Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:34:59 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: ./Cr.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 14 14 4 220 220 37 Max 15 15 5 225 225 42 Sum 517 517 163 7991 7991 1411 Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 4.9174 a.u. unit-cell volume = 84.0775 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 14.00 number of Kohn-Sham states= 22 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 4.917356 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 Cr read from file: /users/gautes/Pseudo/Cr.rel-pbe-oncvpsp.UPF MD5 check sum: 05b5af6f30ea3763d55f309fcccb1da3 Pseudo is Norm-conserving, Zval = 14.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1638 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 atomic species valence mass pseudopotential Cr 14.00 51.99610 Cr( 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= 564 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017730 k( 2) = ( 0.0058140 -0.0033567 0.0047471), wk = 0.0017730 k( 3) = ( 0.0116279 -0.0067134 0.0094941), wk = 0.0017730 k( 4) = ( 0.0174419 -0.0100701 0.0142412), wk = 0.0017730 k( 5) = ( 0.0232558 -0.0134267 0.0189883), wk = 0.0017730 k( 6) = ( 0.0290698 -0.0167834 0.0237354), wk = 0.0017730 k( 7) = ( 0.0348837 -0.0201401 0.0284824), wk = 0.0017730 k( 8) = ( 0.0406977 -0.0234968 0.0332295), wk = 0.0017730 k( 9) = ( 0.0465116 -0.0268535 0.0379766), wk = 0.0017730 k( 10) = ( 0.0523256 -0.0302102 0.0427237), wk = 0.0017730 k( 11) = ( 0.0581395 -0.0335669 0.0474707), wk = 0.0017730 k( 12) = ( 0.0639535 -0.0369236 0.0522178), wk = 0.0017730 k( 13) = ( 0.0697674 -0.0402803 0.0569649), wk = 0.0017730 k( 14) = ( 0.0755814 -0.0436369 0.0617120), wk = 0.0017730 k( 15) = ( 0.0813954 -0.0469936 0.0664590), wk = 0.0017730 k( 16) = ( 0.0872093 -0.0503503 0.0712061), wk = 0.0017730 k( 17) = ( 0.0930233 -0.0537070 0.0759532), wk = 0.0017730 k( 18) = ( 0.0988372 -0.0570637 0.0807002), wk = 0.0017730 k( 19) = ( 0.1046512 -0.0604204 0.0854473), wk = 0.0017730 k( 20) = ( 0.1104651 -0.0637771 0.0901944), wk = 0.0017730 k( 21) = ( 0.1162791 -0.0671338 0.0949415), wk = 0.0017730 k( 22) = ( 0.1220930 -0.0704904 0.0996885), wk = 0.0017730 k( 23) = ( 0.1279070 -0.0738471 0.1044356), wk = 0.0017730 k( 24) = ( 0.1337209 -0.0772038 0.1091827), wk = 0.0017730 k( 25) = ( 0.1395349 -0.0805605 0.1139298), wk = 0.0017730 k( 26) = ( 0.1453488 -0.0839172 0.1186768), wk = 0.0017730 k( 27) = ( 0.1511628 -0.0872739 0.1234239), wk = 0.0017730 k( 28) = ( 0.1569767 -0.0906306 0.1281710), wk = 0.0017730 k( 29) = ( 0.1627907 -0.0939873 0.1329180), wk = 0.0017730 k( 30) = ( 0.1686046 -0.0973439 0.1376651), wk = 0.0017730 k( 31) = ( 0.1744186 -0.1007006 0.1424122), wk = 0.0017730 k( 32) = ( 0.1802326 -0.1040573 0.1471593), wk = 0.0017730 k( 33) = ( 0.1860465 -0.1074140 0.1519063), wk = 0.0017730 k( 34) = ( 0.1918605 -0.1107707 0.1566534), wk = 0.0017730 k( 35) = ( 0.1976744 -0.1141274 0.1614005), wk = 0.0017730 k( 36) = ( 0.2034884 -0.1174841 0.1661476), wk = 0.0017730 k( 37) = ( 0.2093023 -0.1208408 0.1708946), wk = 0.0017730 k( 38) = ( 0.2151163 -0.1241974 0.1756417), wk = 0.0017730 k( 39) = ( 0.2209302 -0.1275541 0.1803888), wk = 0.0017730 k( 40) = ( 0.2267442 -0.1309108 0.1851359), wk = 0.0017730 k( 41) = ( 0.2325581 -0.1342675 0.1898829), wk = 0.0017730 k( 42) = ( 0.2383721 -0.1376242 0.1946300), wk = 0.0017730 k( 43) = ( 0.2441860 -0.1409809 0.1993771), wk = 0.0017730 k( 44) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0017730 k( 45) = ( 0.2558140 -0.1476943 0.2088712), wk = 0.0017730 k( 46) = ( 0.2616279 -0.1510509 0.2136183), wk = 0.0017730 k( 47) = ( 0.2674419 -0.1544076 0.2183654), wk = 0.0017730 k( 48) = ( 0.2732558 -0.1577643 0.2231124), wk = 0.0017730 k( 49) = ( 0.2790698 -0.1611210 0.2278595), wk = 0.0017730 k( 50) = ( 0.2848837 -0.1644777 0.2326066), wk = 0.0017730 k( 51) = ( 0.2906977 -0.1678344 0.2373537), wk = 0.0017730 k( 52) = ( 0.2965116 -0.1711911 0.2421007), wk = 0.0017730 k( 53) = ( 0.3023256 -0.1745478 0.2468478), wk = 0.0017730 k( 54) = ( 0.3081395 -0.1779044 0.2515949), wk = 0.0017730 k( 55) = ( 0.3139535 -0.1812611 0.2563420), wk = 0.0017730 k( 56) = ( 0.3197674 -0.1846178 0.2610890), wk = 0.0017730 k( 57) = ( 0.3255814 -0.1879745 0.2658361), wk = 0.0017730 k( 58) = ( 0.3313953 -0.1913312 0.2705832), wk = 0.0017730 k( 59) = ( 0.3372093 -0.1946879 0.2753302), wk = 0.0017730 k( 60) = ( 0.3430233 -0.1980446 0.2800773), wk = 0.0017730 k( 61) = ( 0.3488372 -0.2014013 0.2848244), wk = 0.0017730 k( 62) = ( 0.3546512 -0.2047579 0.2895715), wk = 0.0017730 k( 63) = ( 0.3604651 -0.2081146 0.2943185), wk = 0.0017730 k( 64) = ( 0.3662791 -0.2114713 0.2990656), wk = 0.0017730 k( 65) = ( 0.3720930 -0.2148280 0.3038127), wk = 0.0017730 k( 66) = ( 0.3779070 -0.2181847 0.3085598), wk = 0.0017730 k( 67) = ( 0.3837209 -0.2215414 0.3133068), wk = 0.0017730 k( 68) = ( 0.3895349 -0.2248981 0.3180539), wk = 0.0017730 k( 69) = ( 0.3953488 -0.2282548 0.3228010), wk = 0.0017730 k( 70) = ( 0.4011628 -0.2316114 0.3275480), wk = 0.0017730 k( 71) = ( 0.4069767 -0.2349681 0.3322951), wk = 0.0017730 k( 72) = ( 0.4127907 -0.2383248 0.3370422), wk = 0.0017730 k( 73) = ( 0.4186047 -0.2416815 0.3417893), wk = 0.0017730 k( 74) = ( 0.4244186 -0.2450382 0.3465363), wk = 0.0017730 k( 75) = ( 0.4302326 -0.2483949 0.3512834), wk = 0.0017730 k( 76) = ( 0.4360465 -0.2517516 0.3560305), wk = 0.0017730 k( 77) = ( 0.4418605 -0.2551083 0.3607776), wk = 0.0017730 k( 78) = ( 0.4476744 -0.2584649 0.3655246), wk = 0.0017730 k( 79) = ( 0.4534884 -0.2618216 0.3702717), wk = 0.0017730 k( 80) = ( 0.4593023 -0.2651783 0.3750188), wk = 0.0017730 k( 81) = ( 0.4651163 -0.2685350 0.3797659), wk = 0.0017730 k( 82) = ( 0.4709302 -0.2718917 0.3845129), wk = 0.0017730 k( 83) = ( 0.4767442 -0.2752484 0.3892600), wk = 0.0017730 k( 84) = ( 0.4825581 -0.2786051 0.3940071), wk = 0.0017730 k( 85) = ( 0.4883721 -0.2819618 0.3987541), wk = 0.0017730 k( 86) = ( 0.4941860 -0.2853184 0.4035012), wk = 0.0017730 k( 87) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0017730 k( 88) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0017730 k( 89) = ( 0.5000000 -0.2819618 0.4129954), wk = 0.0017730 k( 90) = ( 0.5000000 -0.2752484 0.4177424), wk = 0.0017730 k( 91) = ( 0.5000000 -0.2685350 0.4224895), wk = 0.0017730 k( 92) = ( 0.5000000 -0.2618216 0.4272366), wk = 0.0017730 k( 93) = ( 0.5000000 -0.2551083 0.4319837), wk = 0.0017730 k( 94) = ( 0.5000000 -0.2483949 0.4367307), wk = 0.0017730 k( 95) = ( 0.5000000 -0.2416815 0.4414778), wk = 0.0017730 k( 96) = ( 0.5000000 -0.2349681 0.4462249), wk = 0.0017730 k( 97) = ( 0.5000000 -0.2282548 0.4509719), wk = 0.0017730 k( 98) = ( 0.5000000 -0.2215414 0.4557190), wk = 0.0017730 k( 99) = ( 0.5000000 -0.2148280 0.4604661), wk = 0.0017730 k( 100) = ( 0.5000000 -0.2081146 0.4652132), wk = 0.0017730 k( 101) = ( 0.5000000 -0.2014013 0.4699602), wk = 0.0017730 k( 102) = ( 0.5000000 -0.1946879 0.4747073), wk = 0.0017730 k( 103) = ( 0.5000000 -0.1879745 0.4794544), wk = 0.0017730 k( 104) = ( 0.5000000 -0.1812611 0.4842015), wk = 0.0017730 k( 105) = ( 0.5000000 -0.1745478 0.4889485), wk = 0.0017730 k( 106) = ( 0.5000000 -0.1678344 0.4936956), wk = 0.0017730 k( 107) = ( 0.5000000 -0.1611210 0.4984427), wk = 0.0017730 k( 108) = ( 0.5000000 -0.1544076 0.5031898), wk = 0.0017730 k( 109) = ( 0.5000000 -0.1476943 0.5079368), wk = 0.0017730 k( 110) = ( 0.5000000 -0.1409809 0.5126839), wk = 0.0017730 k( 111) = ( 0.5000000 -0.1342675 0.5174310), wk = 0.0017730 k( 112) = ( 0.5000000 -0.1275541 0.5221780), wk = 0.0017730 k( 113) = ( 0.5000000 -0.1208408 0.5269251), wk = 0.0017730 k( 114) = ( 0.5000000 -0.1141274 0.5316722), wk = 0.0017730 k( 115) = ( 0.5000000 -0.1074140 0.5364193), wk = 0.0017730 k( 116) = ( 0.5000000 -0.1007006 0.5411663), wk = 0.0017730 k( 117) = ( 0.5000000 -0.0939873 0.5459134), wk = 0.0017730 k( 118) = ( 0.5000000 -0.0872739 0.5506605), wk = 0.0017730 k( 119) = ( 0.5000000 -0.0805605 0.5554076), wk = 0.0017730 k( 120) = ( 0.5000000 -0.0738471 0.5601546), wk = 0.0017730 k( 121) = ( 0.5000000 -0.0671337 0.5649017), wk = 0.0017730 k( 122) = ( 0.5000000 -0.0604204 0.5696488), wk = 0.0017730 k( 123) = ( 0.5000000 -0.0537070 0.5743958), wk = 0.0017730 k( 124) = ( 0.5000000 -0.0469936 0.5791429), wk = 0.0017730 k( 125) = ( 0.5000000 -0.0402803 0.5838900), wk = 0.0017730 k( 126) = ( 0.5000000 -0.0335669 0.5886371), wk = 0.0017730 k( 127) = ( 0.5000000 -0.0268535 0.5933841), wk = 0.0017730 k( 128) = ( 0.5000000 -0.0201401 0.5981312), wk = 0.0017730 k( 129) = ( 0.5000000 -0.0134268 0.6028783), wk = 0.0017730 k( 130) = ( 0.5000000 -0.0067134 0.6076254), wk = 0.0017730 k( 131) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0017730 k( 132) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0017730 k( 133) = ( 0.4959677 0.0069841 0.6123724), wk = 0.0017730 k( 134) = ( 0.4919355 0.0139682 0.6123724), wk = 0.0017730 k( 135) = ( 0.4879032 0.0209522 0.6123724), wk = 0.0017730 k( 136) = ( 0.4838710 0.0279363 0.6123724), wk = 0.0017730 k( 137) = ( 0.4798387 0.0349204 0.6123724), wk = 0.0017730 k( 138) = ( 0.4758064 0.0419045 0.6123724), wk = 0.0017730 k( 139) = ( 0.4717742 0.0488885 0.6123724), wk = 0.0017730 k( 140) = ( 0.4677419 0.0558726 0.6123724), wk = 0.0017730 k( 141) = ( 0.4637097 0.0628567 0.6123724), wk = 0.0017730 k( 142) = ( 0.4596774 0.0698408 0.6123724), wk = 0.0017730 k( 143) = ( 0.4556452 0.0768248 0.6123724), wk = 0.0017730 k( 144) = ( 0.4516129 0.0838089 0.6123724), wk = 0.0017730 k( 145) = ( 0.4475807 0.0907930 0.6123724), wk = 0.0017730 k( 146) = ( 0.4435484 0.0977771 0.6123724), wk = 0.0017730 k( 147) = ( 0.4395161 0.1047611 0.6123724), wk = 0.0017730 k( 148) = ( 0.4354839 0.1117452 0.6123724), wk = 0.0017730 k( 149) = ( 0.4314516 0.1187293 0.6123724), wk = 0.0017730 k( 150) = ( 0.4274193 0.1257134 0.6123724), wk = 0.0017730 k( 151) = ( 0.4233871 0.1326974 0.6123724), wk = 0.0017730 k( 152) = ( 0.4193548 0.1396815 0.6123724), wk = 0.0017730 k( 153) = ( 0.4153226 0.1466656 0.6123724), wk = 0.0017730 k( 154) = ( 0.4112903 0.1536497 0.6123724), wk = 0.0017730 k( 155) = ( 0.4072581 0.1606338 0.6123724), wk = 0.0017730 k( 156) = ( 0.4032258 0.1676178 0.6123724), wk = 0.0017730 k( 157) = ( 0.3991936 0.1746019 0.6123724), wk = 0.0017730 k( 158) = ( 0.3951613 0.1815860 0.6123724), wk = 0.0017730 k( 159) = ( 0.3911290 0.1885701 0.6123724), wk = 0.0017730 k( 160) = ( 0.3870968 0.1955541 0.6123724), wk = 0.0017730 k( 161) = ( 0.3830645 0.2025382 0.6123724), wk = 0.0017730 k( 162) = ( 0.3790323 0.2095223 0.6123724), wk = 0.0017730 k( 163) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0017730 k( 164) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0017730 k( 165) = ( 0.3708791 0.2141272 0.6056431), wk = 0.0017730 k( 166) = ( 0.3667582 0.2117480 0.5989137), wk = 0.0017730 k( 167) = ( 0.3626374 0.2093688 0.5921843), wk = 0.0017730 k( 168) = ( 0.3585165 0.2069896 0.5854550), wk = 0.0017730 k( 169) = ( 0.3543956 0.2046104 0.5787256), wk = 0.0017730 k( 170) = ( 0.3502747 0.2022312 0.5719962), wk = 0.0017730 k( 171) = ( 0.3461538 0.1998520 0.5652669), wk = 0.0017730 k( 172) = ( 0.3420330 0.1974728 0.5585375), wk = 0.0017730 k( 173) = ( 0.3379121 0.1950936 0.5518081), wk = 0.0017730 k( 174) = ( 0.3337912 0.1927144 0.5450788), wk = 0.0017730 k( 175) = ( 0.3296703 0.1903353 0.5383494), wk = 0.0017730 k( 176) = ( 0.3255495 0.1879561 0.5316200), wk = 0.0017730 k( 177) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0017730 k( 178) = ( 0.3173077 0.1831977 0.5181613), wk = 0.0017730 k( 179) = ( 0.3131868 0.1808185 0.5114319), wk = 0.0017730 k( 180) = ( 0.3090659 0.1784393 0.5047026), wk = 0.0017730 k( 181) = ( 0.3049450 0.1760601 0.4979732), wk = 0.0017730 k( 182) = ( 0.3008242 0.1736809 0.4912438), wk = 0.0017730 k( 183) = ( 0.2967033 0.1713017 0.4845144), wk = 0.0017730 k( 184) = ( 0.2925824 0.1689225 0.4777851), wk = 0.0017730 k( 185) = ( 0.2884615 0.1665433 0.4710557), wk = 0.0017730 k( 186) = ( 0.2843407 0.1641642 0.4643264), wk = 0.0017730 k( 187) = ( 0.2802198 0.1617850 0.4575970), wk = 0.0017730 k( 188) = ( 0.2760989 0.1594058 0.4508676), wk = 0.0017730 k( 189) = ( 0.2719780 0.1570266 0.4441382), wk = 0.0017730 k( 190) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0017730 k( 191) = ( 0.2637363 0.1522682 0.4306795), wk = 0.0017730 k( 192) = ( 0.2596154 0.1498890 0.4239502), wk = 0.0017730 k( 193) = ( 0.2554945 0.1475098 0.4172208), wk = 0.0017730 k( 194) = ( 0.2513736 0.1451306 0.4104914), wk = 0.0017730 k( 195) = ( 0.2472527 0.1427514 0.4037620), wk = 0.0017730 k( 196) = ( 0.2431319 0.1403723 0.3970327), wk = 0.0017730 k( 197) = ( 0.2390110 0.1379931 0.3903033), wk = 0.0017730 k( 198) = ( 0.2348901 0.1356139 0.3835739), wk = 0.0017730 k( 199) = ( 0.2307692 0.1332347 0.3768446), wk = 0.0017730 k( 200) = ( 0.2266483 0.1308555 0.3701152), wk = 0.0017730 k( 201) = ( 0.2225275 0.1284763 0.3633858), wk = 0.0017730 k( 202) = ( 0.2184066 0.1260971 0.3566565), wk = 0.0017730 k( 203) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0017730 k( 204) = ( 0.2101648 0.1213387 0.3431977), wk = 0.0017730 k( 205) = ( 0.2060440 0.1189595 0.3364684), wk = 0.0017730 k( 206) = ( 0.2019231 0.1165803 0.3297390), wk = 0.0017730 k( 207) = ( 0.1978022 0.1142012 0.3230096), wk = 0.0017730 k( 208) = ( 0.1936813 0.1118220 0.3162803), wk = 0.0017730 k( 209) = ( 0.1895604 0.1094428 0.3095509), wk = 0.0017730 k( 210) = ( 0.1854396 0.1070636 0.3028215), wk = 0.0017730 k( 211) = ( 0.1813187 0.1046844 0.2960922), wk = 0.0017730 k( 212) = ( 0.1771978 0.1023052 0.2893628), wk = 0.0017730 k( 213) = ( 0.1730769 0.0999260 0.2826334), wk = 0.0017730 k( 214) = ( 0.1689560 0.0975468 0.2759041), wk = 0.0017730 k( 215) = ( 0.1648352 0.0951676 0.2691747), wk = 0.0017730 k( 216) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0017730 k( 217) = ( 0.1565934 0.0904092 0.2557160), wk = 0.0017730 k( 218) = ( 0.1524725 0.0880301 0.2489866), wk = 0.0017730 k( 219) = ( 0.1483517 0.0856509 0.2422572), wk = 0.0017730 k( 220) = ( 0.1442308 0.0832717 0.2355279), wk = 0.0017730 k( 221) = ( 0.1401099 0.0808925 0.2287985), wk = 0.0017730 k( 222) = ( 0.1359890 0.0785133 0.2220691), wk = 0.0017730 k( 223) = ( 0.1318681 0.0761341 0.2153398), wk = 0.0017730 k( 224) = ( 0.1277473 0.0737549 0.2086104), wk = 0.0017730 k( 225) = ( 0.1236264 0.0713757 0.2018810), wk = 0.0017730 k( 226) = ( 0.1195055 0.0689965 0.1951517), wk = 0.0017730 k( 227) = ( 0.1153846 0.0666173 0.1884223), wk = 0.0017730 k( 228) = ( 0.1112637 0.0642382 0.1816929), wk = 0.0017730 k( 229) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0017730 k( 230) = ( 0.1030220 0.0594798 0.1682342), wk = 0.0017730 k( 231) = ( 0.0989011 0.0571006 0.1615048), wk = 0.0017730 k( 232) = ( 0.0947802 0.0547214 0.1547755), wk = 0.0017730 k( 233) = ( 0.0906593 0.0523422 0.1480461), wk = 0.0017730 k( 234) = ( 0.0865385 0.0499630 0.1413167), wk = 0.0017730 k( 235) = ( 0.0824176 0.0475838 0.1345873), wk = 0.0017730 k( 236) = ( 0.0782967 0.0452046 0.1278580), wk = 0.0017730 k( 237) = ( 0.0741758 0.0428254 0.1211286), wk = 0.0017730 k( 238) = ( 0.0700550 0.0404462 0.1143992), wk = 0.0017730 k( 239) = ( 0.0659341 0.0380671 0.1076699), wk = 0.0017730 k( 240) = ( 0.0618132 0.0356879 0.1009405), wk = 0.0017730 k( 241) = ( 0.0576923 0.0333087 0.0942111), wk = 0.0017730 k( 242) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0017730 k( 243) = ( 0.0494506 0.0285503 0.0807524), wk = 0.0017730 k( 244) = ( 0.0453297 0.0261711 0.0740230), wk = 0.0017730 k( 245) = ( 0.0412088 0.0237919 0.0672937), wk = 0.0017730 k( 246) = ( 0.0370879 0.0214127 0.0605643), wk = 0.0017730 k( 247) = ( 0.0329670 0.0190335 0.0538349), wk = 0.0017730 k( 248) = ( 0.0288462 0.0166543 0.0471056), wk = 0.0017730 k( 249) = ( 0.0247253 0.0142751 0.0403762), wk = 0.0017730 k( 250) = ( 0.0206044 0.0118960 0.0336468), wk = 0.0017730 k( 251) = ( 0.0164835 0.0095168 0.0269175), wk = 0.0017730 k( 252) = ( 0.0123626 0.0071376 0.0201881), wk = 0.0017730 k( 253) = ( 0.0082418 0.0047584 0.0134587), wk = 0.0017730 k( 254) = ( 0.0041209 0.0023792 0.0067294), wk = 0.0017730 k( 255) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017730 k( 256) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017730 k( 257) = ( 0.0067568 0.0039010 0.0027584), wk = 0.0017730 k( 258) = ( 0.0135135 0.0078020 0.0055169), wk = 0.0017730 k( 259) = ( 0.0202703 0.0117030 0.0082753), wk = 0.0017730 k( 260) = ( 0.0270270 0.0156041 0.0110337), wk = 0.0017730 k( 261) = ( 0.0337838 0.0195051 0.0137922), wk = 0.0017730 k( 262) = ( 0.0405405 0.0234061 0.0165506), wk = 0.0017730 k( 263) = ( 0.0472973 0.0273071 0.0193090), wk = 0.0017730 k( 264) = ( 0.0540540 0.0312081 0.0220675), wk = 0.0017730 k( 265) = ( 0.0608108 0.0351091 0.0248259), wk = 0.0017730 k( 266) = ( 0.0675676 0.0390102 0.0275843), wk = 0.0017730 k( 267) = ( 0.0743243 0.0429112 0.0303428), wk = 0.0017730 k( 268) = ( 0.0810811 0.0468122 0.0331012), wk = 0.0017730 k( 269) = ( 0.0878378 0.0507132 0.0358596), wk = 0.0017730 k( 270) = ( 0.0945946 0.0546142 0.0386181), wk = 0.0017730 k( 271) = ( 0.1013514 0.0585152 0.0413765), wk = 0.0017730 k( 272) = ( 0.1081081 0.0624162 0.0441350), wk = 0.0017730 k( 273) = ( 0.1148649 0.0663173 0.0468934), wk = 0.0017730 k( 274) = ( 0.1216216 0.0702183 0.0496518), wk = 0.0017730 k( 275) = ( 0.1283784 0.0741193 0.0524103), wk = 0.0017730 k( 276) = ( 0.1351351 0.0780203 0.0551687), wk = 0.0017730 k( 277) = ( 0.1418919 0.0819213 0.0579271), wk = 0.0017730 k( 278) = ( 0.1486486 0.0858223 0.0606856), wk = 0.0017730 k( 279) = ( 0.1554054 0.0897234 0.0634440), wk = 0.0017730 k( 280) = ( 0.1621622 0.0936244 0.0662024), wk = 0.0017730 k( 281) = ( 0.1689189 0.0975254 0.0689609), wk = 0.0017730 k( 282) = ( 0.1756757 0.1014264 0.0717193), wk = 0.0017730 k( 283) = ( 0.1824324 0.1053274 0.0744777), wk = 0.0017730 k( 284) = ( 0.1891892 0.1092284 0.0772362), wk = 0.0017730 k( 285) = ( 0.1959460 0.1131294 0.0799946), wk = 0.0017730 k( 286) = ( 0.2027027 0.1170305 0.0827530), wk = 0.0017730 k( 287) = ( 0.2094595 0.1209315 0.0855115), wk = 0.0017730 k( 288) = ( 0.2162162 0.1248325 0.0882699), wk = 0.0017730 k( 289) = ( 0.2229730 0.1287335 0.0910283), wk = 0.0017730 k( 290) = ( 0.2297297 0.1326345 0.0937868), wk = 0.0017730 k( 291) = ( 0.2364865 0.1365355 0.0965452), wk = 0.0017730 k( 292) = ( 0.2432432 0.1404366 0.0993036), wk = 0.0017730 k( 293) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0017730 k( 294) = ( 0.2567568 0.1482386 0.1048205), wk = 0.0017730 k( 295) = ( 0.2635135 0.1521396 0.1075789), wk = 0.0017730 k( 296) = ( 0.2702703 0.1560406 0.1103374), wk = 0.0017730 k( 297) = ( 0.2770270 0.1599416 0.1130958), wk = 0.0017730 k( 298) = ( 0.2837838 0.1638426 0.1158542), wk = 0.0017730 k( 299) = ( 0.2905405 0.1677437 0.1186127), wk = 0.0017730 k( 300) = ( 0.2972973 0.1716447 0.1213711), wk = 0.0017730 k( 301) = ( 0.3040541 0.1755457 0.1241295), wk = 0.0017730 k( 302) = ( 0.3108108 0.1794467 0.1268880), wk = 0.0017730 k( 303) = ( 0.3175676 0.1833477 0.1296464), wk = 0.0017730 k( 304) = ( 0.3243243 0.1872487 0.1324048), wk = 0.0017730 k( 305) = ( 0.3310811 0.1911498 0.1351633), wk = 0.0017730 k( 306) = ( 0.3378378 0.1950508 0.1379217), wk = 0.0017730 k( 307) = ( 0.3445946 0.1989518 0.1406802), wk = 0.0017730 k( 308) = ( 0.3513514 0.2028528 0.1434386), wk = 0.0017730 k( 309) = ( 0.3581081 0.2067538 0.1461970), wk = 0.0017730 k( 310) = ( 0.3648649 0.2106548 0.1489555), wk = 0.0017730 k( 311) = ( 0.3716216 0.2145558 0.1517139), wk = 0.0017730 k( 312) = ( 0.3783784 0.2184569 0.1544723), wk = 0.0017730 k( 313) = ( 0.3851351 0.2223579 0.1572308), wk = 0.0017730 k( 314) = ( 0.3918919 0.2262589 0.1599892), wk = 0.0017730 k( 315) = ( 0.3986486 0.2301599 0.1627476), wk = 0.0017730 k( 316) = ( 0.4054054 0.2340609 0.1655061), wk = 0.0017730 k( 317) = ( 0.4121622 0.2379619 0.1682645), wk = 0.0017730 k( 318) = ( 0.4189189 0.2418630 0.1710229), wk = 0.0017730 k( 319) = ( 0.4256757 0.2457640 0.1737814), wk = 0.0017730 k( 320) = ( 0.4324324 0.2496650 0.1765398), wk = 0.0017730 k( 321) = ( 0.4391892 0.2535660 0.1792982), wk = 0.0017730 k( 322) = ( 0.4459459 0.2574670 0.1820567), wk = 0.0017730 k( 323) = ( 0.4527027 0.2613680 0.1848151), wk = 0.0017730 k( 324) = ( 0.4594595 0.2652690 0.1875735), wk = 0.0017730 k( 325) = ( 0.4662162 0.2691701 0.1903320), wk = 0.0017730 k( 326) = ( 0.4729730 0.2730711 0.1930904), wk = 0.0017730 k( 327) = ( 0.4797297 0.2769721 0.1958488), wk = 0.0017730 k( 328) = ( 0.4864865 0.2808731 0.1986073), wk = 0.0017730 k( 329) = ( 0.4932432 0.2847741 0.2013657), wk = 0.0017730 k( 330) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0017730 k( 331) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0017730 k( 332) = ( 0.5023585 0.2818668 0.2079755), wk = 0.0017730 k( 333) = ( 0.5047170 0.2750584 0.2118269), wk = 0.0017730 k( 334) = ( 0.5070755 0.2682500 0.2156783), wk = 0.0017730 k( 335) = ( 0.5094340 0.2614416 0.2195297), wk = 0.0017730 k( 336) = ( 0.5117924 0.2546333 0.2233811), wk = 0.0017730 k( 337) = ( 0.5141509 0.2478249 0.2272325), wk = 0.0017730 k( 338) = ( 0.5165094 0.2410165 0.2310839), wk = 0.0017730 k( 339) = ( 0.5188679 0.2342081 0.2349353), wk = 0.0017730 k( 340) = ( 0.5212264 0.2273997 0.2387867), wk = 0.0017730 k( 341) = ( 0.5235849 0.2205914 0.2426381), wk = 0.0017730 k( 342) = ( 0.5259434 0.2137830 0.2464895), wk = 0.0017730 k( 343) = ( 0.5283019 0.2069746 0.2503409), wk = 0.0017730 k( 344) = ( 0.5306604 0.2001663 0.2541923), wk = 0.0017730 k( 345) = ( 0.5330189 0.1933579 0.2580437), wk = 0.0017730 k( 346) = ( 0.5353774 0.1865495 0.2618951), wk = 0.0017730 k( 347) = ( 0.5377359 0.1797411 0.2657465), wk = 0.0017730 k( 348) = ( 0.5400943 0.1729327 0.2695979), wk = 0.0017730 k( 349) = ( 0.5424528 0.1661244 0.2734493), wk = 0.0017730 k( 350) = ( 0.5448113 0.1593160 0.2773007), wk = 0.0017730 k( 351) = ( 0.5471698 0.1525076 0.2811521), wk = 0.0017730 k( 352) = ( 0.5495283 0.1456992 0.2850035), wk = 0.0017730 k( 353) = ( 0.5518868 0.1388909 0.2888549), wk = 0.0017730 k( 354) = ( 0.5542453 0.1320825 0.2927063), wk = 0.0017730 k( 355) = ( 0.5566038 0.1252741 0.2965577), wk = 0.0017730 k( 356) = ( 0.5589623 0.1184657 0.3004091), wk = 0.0017730 k( 357) = ( 0.5613208 0.1116574 0.3042605), wk = 0.0017730 k( 358) = ( 0.5636792 0.1048490 0.3081119), wk = 0.0017730 k( 359) = ( 0.5660377 0.0980406 0.3119633), wk = 0.0017730 k( 360) = ( 0.5683962 0.0912322 0.3158147), wk = 0.0017730 k( 361) = ( 0.5707547 0.0844239 0.3196661), wk = 0.0017730 k( 362) = ( 0.5731132 0.0776155 0.3235175), wk = 0.0017730 k( 363) = ( 0.5754717 0.0708071 0.3273689), wk = 0.0017730 k( 364) = ( 0.5778302 0.0639987 0.3312203), wk = 0.0017730 k( 365) = ( 0.5801887 0.0571904 0.3350717), wk = 0.0017730 k( 366) = ( 0.5825472 0.0503820 0.3389231), wk = 0.0017730 k( 367) = ( 0.5849057 0.0435736 0.3427745), wk = 0.0017730 k( 368) = ( 0.5872641 0.0367652 0.3466259), wk = 0.0017730 k( 369) = ( 0.5896226 0.0299569 0.3504773), wk = 0.0017730 k( 370) = ( 0.5919811 0.0231485 0.3543287), wk = 0.0017730 k( 371) = ( 0.5943396 0.0163401 0.3581801), wk = 0.0017730 k( 372) = ( 0.5966981 0.0095317 0.3620315), wk = 0.0017730 k( 373) = ( 0.5990566 0.0027233 0.3658829), wk = 0.0017730 k( 374) = ( 0.6014151 -0.0040850 0.3697343), wk = 0.0017730 k( 375) = ( 0.6037736 -0.0108934 0.3735857), wk = 0.0017730 k( 376) = ( 0.6061321 -0.0177018 0.3774371), wk = 0.0017730 k( 377) = ( 0.6084906 -0.0245102 0.3812885), wk = 0.0017730 k( 378) = ( 0.6108491 -0.0313185 0.3851399), wk = 0.0017730 k( 379) = ( 0.6132076 -0.0381269 0.3889913), wk = 0.0017730 k( 380) = ( 0.6155660 -0.0449353 0.3928427), wk = 0.0017730 k( 381) = ( 0.6179245 -0.0517437 0.3966941), wk = 0.0017730 k( 382) = ( 0.6202830 -0.0585520 0.4005455), wk = 0.0017730 k( 383) = ( 0.6226415 -0.0653604 0.4043969), wk = 0.0017730 k( 384) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0017730 k( 385) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0017730 k( 386) = ( 0.6209677 -0.0698408 0.4148329), wk = 0.0017730 k( 387) = ( 0.6169355 -0.0675127 0.4214176), wk = 0.0017730 k( 388) = ( 0.6129032 -0.0651847 0.4280022), wk = 0.0017730 k( 389) = ( 0.6088710 -0.0628567 0.4345869), wk = 0.0017730 k( 390) = ( 0.6048387 -0.0605287 0.4411715), wk = 0.0017730 k( 391) = ( 0.6008064 -0.0582006 0.4477562), wk = 0.0017730 k( 392) = ( 0.5967742 -0.0558726 0.4543408), wk = 0.0017730 k( 393) = ( 0.5927419 -0.0535446 0.4609255), wk = 0.0017730 k( 394) = ( 0.5887097 -0.0512166 0.4675101), wk = 0.0017730 k( 395) = ( 0.5846774 -0.0488885 0.4740948), wk = 0.0017730 k( 396) = ( 0.5806452 -0.0465605 0.4806794), wk = 0.0017730 k( 397) = ( 0.5766129 -0.0442325 0.4872641), wk = 0.0017730 k( 398) = ( 0.5725807 -0.0419045 0.4938487), wk = 0.0017730 k( 399) = ( 0.5685484 -0.0395764 0.5004334), wk = 0.0017730 k( 400) = ( 0.5645161 -0.0372484 0.5070180), wk = 0.0017730 k( 401) = ( 0.5604839 -0.0349204 0.5136027), wk = 0.0017730 k( 402) = ( 0.5564516 -0.0325924 0.5201873), wk = 0.0017730 k( 403) = ( 0.5524193 -0.0302643 0.5267720), wk = 0.0017730 k( 404) = ( 0.5483871 -0.0279363 0.5333566), wk = 0.0017730 k( 405) = ( 0.5443548 -0.0256083 0.5399413), wk = 0.0017730 k( 406) = ( 0.5403226 -0.0232803 0.5465259), wk = 0.0017730 k( 407) = ( 0.5362903 -0.0209522 0.5531106), wk = 0.0017730 k( 408) = ( 0.5322581 -0.0186242 0.5596952), wk = 0.0017730 k( 409) = ( 0.5282258 -0.0162962 0.5662799), wk = 0.0017730 k( 410) = ( 0.5241936 -0.0139682 0.5728645), wk = 0.0017730 k( 411) = ( 0.5201613 -0.0116401 0.5794492), wk = 0.0017730 k( 412) = ( 0.5161290 -0.0093121 0.5860338), wk = 0.0017730 k( 413) = ( 0.5120968 -0.0069841 0.5926185), wk = 0.0017730 k( 414) = ( 0.5080645 -0.0046561 0.5992031), wk = 0.0017730 k( 415) = ( 0.5040323 -0.0023280 0.6057878), wk = 0.0017730 k( 416) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0017730 k( 417) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0017730 k( 418) = ( 0.5000000 0.0047324 0.6056798), wk = 0.0017730 k( 419) = ( 0.5000000 0.0094648 0.5989872), wk = 0.0017730 k( 420) = ( 0.5000000 0.0141971 0.5922947), wk = 0.0017730 k( 421) = ( 0.5000000 0.0189295 0.5856021), wk = 0.0017730 k( 422) = ( 0.5000000 0.0236619 0.5789095), wk = 0.0017730 k( 423) = ( 0.5000000 0.0283943 0.5722169), wk = 0.0017730 k( 424) = ( 0.5000000 0.0331266 0.5655243), wk = 0.0017730 k( 425) = ( 0.5000000 0.0378590 0.5588317), wk = 0.0017730 k( 426) = ( 0.5000000 0.0425914 0.5521391), wk = 0.0017730 k( 427) = ( 0.5000000 0.0473238 0.5454465), wk = 0.0017730 k( 428) = ( 0.5000000 0.0520562 0.5387539), wk = 0.0017730 k( 429) = ( 0.5000000 0.0567886 0.5320613), wk = 0.0017730 k( 430) = ( 0.5000000 0.0615209 0.5253687), wk = 0.0017730 k( 431) = ( 0.5000000 0.0662533 0.5186761), wk = 0.0017730 k( 432) = ( 0.5000000 0.0709857 0.5119835), wk = 0.0017730 k( 433) = ( 0.5000000 0.0757181 0.5052909), wk = 0.0017730 k( 434) = ( 0.5000000 0.0804504 0.4985983), wk = 0.0017730 k( 435) = ( 0.5000000 0.0851828 0.4919057), wk = 0.0017730 k( 436) = ( 0.5000000 0.0899152 0.4852131), wk = 0.0017730 k( 437) = ( 0.5000000 0.0946476 0.4785205), wk = 0.0017730 k( 438) = ( 0.5000000 0.0993800 0.4718279), wk = 0.0017730 k( 439) = ( 0.5000000 0.1041123 0.4651354), wk = 0.0017730 k( 440) = ( 0.5000000 0.1088447 0.4584427), wk = 0.0017730 k( 441) = ( 0.5000000 0.1135771 0.4517502), wk = 0.0017730 k( 442) = ( 0.5000000 0.1183095 0.4450576), wk = 0.0017730 k( 443) = ( 0.5000000 0.1230419 0.4383650), wk = 0.0017730 k( 444) = ( 0.5000000 0.1277742 0.4316724), wk = 0.0017730 k( 445) = ( 0.5000000 0.1325066 0.4249798), wk = 0.0017730 k( 446) = ( 0.5000000 0.1372390 0.4182872), wk = 0.0017730 k( 447) = ( 0.5000000 0.1419714 0.4115946), wk = 0.0017730 k( 448) = ( 0.5000000 0.1467038 0.4049020), wk = 0.0017730 k( 449) = ( 0.5000000 0.1514361 0.3982094), wk = 0.0017730 k( 450) = ( 0.5000000 0.1561685 0.3915168), wk = 0.0017730 k( 451) = ( 0.5000000 0.1609009 0.3848242), wk = 0.0017730 k( 452) = ( 0.5000000 0.1656333 0.3781316), wk = 0.0017730 k( 453) = ( 0.5000000 0.1703656 0.3714390), wk = 0.0017730 k( 454) = ( 0.5000000 0.1750980 0.3647464), wk = 0.0017730 k( 455) = ( 0.5000000 0.1798304 0.3580538), wk = 0.0017730 k( 456) = ( 0.5000000 0.1845628 0.3513612), wk = 0.0017730 k( 457) = ( 0.5000000 0.1892952 0.3446686), wk = 0.0017730 k( 458) = ( 0.5000000 0.1940276 0.3379760), wk = 0.0017730 k( 459) = ( 0.5000000 0.1987599 0.3312834), wk = 0.0017730 k( 460) = ( 0.5000000 0.2034923 0.3245909), wk = 0.0017730 k( 461) = ( 0.5000000 0.2082247 0.3178983), wk = 0.0017730 k( 462) = ( 0.5000000 0.2129571 0.3112057), wk = 0.0017730 k( 463) = ( 0.5000000 0.2176894 0.3045131), wk = 0.0017730 k( 464) = ( 0.5000000 0.2224218 0.2978205), wk = 0.0017730 k( 465) = ( 0.5000000 0.2271542 0.2911279), wk = 0.0017730 k( 466) = ( 0.5000000 0.2318866 0.2844353), wk = 0.0017730 k( 467) = ( 0.5000000 0.2366190 0.2777427), wk = 0.0017730 k( 468) = ( 0.5000000 0.2413513 0.2710501), wk = 0.0017730 k( 469) = ( 0.5000000 0.2460837 0.2643575), wk = 0.0017730 k( 470) = ( 0.5000000 0.2508161 0.2576649), wk = 0.0017730 k( 471) = ( 0.5000000 0.2555485 0.2509723), wk = 0.0017730 k( 472) = ( 0.5000000 0.2602809 0.2442797), wk = 0.0017730 k( 473) = ( 0.5000000 0.2650132 0.2375871), wk = 0.0017730 k( 474) = ( 0.5000000 0.2697456 0.2308945), wk = 0.0017730 k( 475) = ( 0.5000000 0.2744780 0.2242019), wk = 0.0017730 k( 476) = ( 0.5000000 0.2792104 0.2175093), wk = 0.0017730 k( 477) = ( 0.5000000 0.2839428 0.2108167), wk = 0.0017730 k( 478) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0017730 k( 479) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0017730 k( 480) = ( 0.4976415 0.2873135 0.2118269), wk = 0.0017730 k( 481) = ( 0.4952830 0.2859518 0.2195297), wk = 0.0017730 k( 482) = ( 0.4929245 0.2845901 0.2272325), wk = 0.0017730 k( 483) = ( 0.4905660 0.2832284 0.2349353), wk = 0.0017730 k( 484) = ( 0.4882075 0.2818668 0.2426381), wk = 0.0017730 k( 485) = ( 0.4858491 0.2805051 0.2503409), wk = 0.0017730 k( 486) = ( 0.4834906 0.2791434 0.2580437), wk = 0.0017730 k( 487) = ( 0.4811321 0.2777817 0.2657465), wk = 0.0017730 k( 488) = ( 0.4787736 0.2764201 0.2734493), wk = 0.0017730 k( 489) = ( 0.4764151 0.2750584 0.2811521), wk = 0.0017730 k( 490) = ( 0.4740566 0.2736967 0.2888549), wk = 0.0017730 k( 491) = ( 0.4716981 0.2723350 0.2965577), wk = 0.0017730 k( 492) = ( 0.4693396 0.2709734 0.3042605), wk = 0.0017730 k( 493) = ( 0.4669811 0.2696117 0.3119633), wk = 0.0017730 k( 494) = ( 0.4646226 0.2682500 0.3196661), wk = 0.0017730 k( 495) = ( 0.4622641 0.2668883 0.3273689), wk = 0.0017730 k( 496) = ( 0.4599057 0.2655267 0.3350717), wk = 0.0017730 k( 497) = ( 0.4575472 0.2641650 0.3427745), wk = 0.0017730 k( 498) = ( 0.4551887 0.2628033 0.3504773), wk = 0.0017730 k( 499) = ( 0.4528302 0.2614416 0.3581801), wk = 0.0017730 k( 500) = ( 0.4504717 0.2600800 0.3658829), wk = 0.0017730 k( 501) = ( 0.4481132 0.2587183 0.3735857), wk = 0.0017730 k( 502) = ( 0.4457547 0.2573566 0.3812885), wk = 0.0017730 k( 503) = ( 0.4433962 0.2559949 0.3889913), wk = 0.0017730 k( 504) = ( 0.4410377 0.2546333 0.3966941), wk = 0.0017730 k( 505) = ( 0.4386793 0.2532716 0.4043969), wk = 0.0017730 k( 506) = ( 0.4363207 0.2519099 0.4120997), wk = 0.0017730 k( 507) = ( 0.4339623 0.2505482 0.4198025), wk = 0.0017730 k( 508) = ( 0.4316038 0.2491866 0.4275053), wk = 0.0017730 k( 509) = ( 0.4292453 0.2478249 0.4352081), wk = 0.0017730 k( 510) = ( 0.4268868 0.2464632 0.4429109), wk = 0.0017730 k( 511) = ( 0.4245283 0.2451015 0.4506137), wk = 0.0017730 k( 512) = ( 0.4221698 0.2437399 0.4583165), wk = 0.0017730 k( 513) = ( 0.4198113 0.2423782 0.4660193), wk = 0.0017730 k( 514) = ( 0.4174528 0.2410165 0.4737221), wk = 0.0017730 k( 515) = ( 0.4150943 0.2396548 0.4814249), wk = 0.0017730 k( 516) = ( 0.4127359 0.2382932 0.4891277), wk = 0.0017730 k( 517) = ( 0.4103774 0.2369315 0.4968305), wk = 0.0017730 k( 518) = ( 0.4080189 0.2355698 0.5045333), wk = 0.0017730 k( 519) = ( 0.4056604 0.2342081 0.5122361), wk = 0.0017730 k( 520) = ( 0.4033019 0.2328465 0.5199389), wk = 0.0017730 k( 521) = ( 0.4009434 0.2314848 0.5276417), wk = 0.0017730 k( 522) = ( 0.3985849 0.2301231 0.5353445), wk = 0.0017730 k( 523) = ( 0.3962264 0.2287614 0.5430473), wk = 0.0017730 k( 524) = ( 0.3938679 0.2273997 0.5507501), wk = 0.0017730 k( 525) = ( 0.3915094 0.2260381 0.5584529), wk = 0.0017730 k( 526) = ( 0.3891509 0.2246764 0.5661556), wk = 0.0017730 k( 527) = ( 0.3867925 0.2233147 0.5738584), wk = 0.0017730 k( 528) = ( 0.3844340 0.2219531 0.5815613), wk = 0.0017730 k( 529) = ( 0.3820755 0.2205914 0.5892640), wk = 0.0017730 k( 530) = ( 0.3797170 0.2192297 0.5969668), wk = 0.0017730 k( 531) = ( 0.3773585 0.2178680 0.6046696), wk = 0.0017730 k( 532) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0017730 k( 533) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0017730 k( 534) = ( 0.6209677 -0.0791529 0.4082483), wk = 0.0017730 k( 535) = ( 0.6169355 -0.0861369 0.4082483), wk = 0.0017730 k( 536) = ( 0.6129032 -0.0931210 0.4082483), wk = 0.0017730 k( 537) = ( 0.6088710 -0.1001051 0.4082483), wk = 0.0017730 k( 538) = ( 0.6048387 -0.1070892 0.4082483), wk = 0.0017730 k( 539) = ( 0.6008064 -0.1140732 0.4082483), wk = 0.0017730 k( 540) = ( 0.5967742 -0.1210573 0.4082483), wk = 0.0017730 k( 541) = ( 0.5927419 -0.1280414 0.4082483), wk = 0.0017730 k( 542) = ( 0.5887097 -0.1350255 0.4082483), wk = 0.0017730 k( 543) = ( 0.5846774 -0.1420095 0.4082483), wk = 0.0017730 k( 544) = ( 0.5806452 -0.1489936 0.4082483), wk = 0.0017730 k( 545) = ( 0.5766129 -0.1559777 0.4082483), wk = 0.0017730 k( 546) = ( 0.5725807 -0.1629618 0.4082483), wk = 0.0017730 k( 547) = ( 0.5685484 -0.1699459 0.4082483), wk = 0.0017730 k( 548) = ( 0.5645161 -0.1769299 0.4082483), wk = 0.0017730 k( 549) = ( 0.5604839 -0.1839140 0.4082483), wk = 0.0017730 k( 550) = ( 0.5564516 -0.1908981 0.4082483), wk = 0.0017730 k( 551) = ( 0.5524193 -0.1978821 0.4082483), wk = 0.0017730 k( 552) = ( 0.5483871 -0.2048662 0.4082483), wk = 0.0017730 k( 553) = ( 0.5443548 -0.2118503 0.4082483), wk = 0.0017730 k( 554) = ( 0.5403226 -0.2188344 0.4082483), wk = 0.0017730 k( 555) = ( 0.5362903 -0.2258184 0.4082483), wk = 0.0017730 k( 556) = ( 0.5322581 -0.2328025 0.4082483), wk = 0.0017730 k( 557) = ( 0.5282258 -0.2397866 0.4082483), wk = 0.0017730 k( 558) = ( 0.5241936 -0.2467707 0.4082483), wk = 0.0017730 k( 559) = ( 0.5201613 -0.2537548 0.4082483), wk = 0.0017730 k( 560) = ( 0.5161290 -0.2607388 0.4082483), wk = 0.0017730 k( 561) = ( 0.5120968 -0.2677229 0.4082483), wk = 0.0017730 k( 562) = ( 0.5080645 -0.2747070 0.4082483), wk = 0.0017730 k( 563) = ( 0.5040323 -0.2816911 0.4082483), wk = 0.0017730 k( 564) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0017730 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017730 k( 2) = ( 0.0058140 0.0000000 0.0058140), wk = 0.0017730 k( 3) = ( 0.0116279 0.0000000 0.0116279), wk = 0.0017730 k( 4) = ( 0.0174419 0.0000000 0.0174419), wk = 0.0017730 k( 5) = ( 0.0232558 0.0000000 0.0232558), wk = 0.0017730 k( 6) = ( 0.0290698 0.0000000 0.0290698), wk = 0.0017730 k( 7) = ( 0.0348837 0.0000000 0.0348837), wk = 0.0017730 k( 8) = ( 0.0406977 0.0000000 0.0406977), wk = 0.0017730 k( 9) = ( 0.0465116 0.0000000 0.0465116), wk = 0.0017730 k( 10) = ( 0.0523256 0.0000000 0.0523256), wk = 0.0017730 k( 11) = ( 0.0581395 0.0000000 0.0581395), wk = 0.0017730 k( 12) = ( 0.0639535 0.0000000 0.0639535), wk = 0.0017730 k( 13) = ( 0.0697674 0.0000000 0.0697674), wk = 0.0017730 k( 14) = ( 0.0755814 0.0000000 0.0755814), wk = 0.0017730 k( 15) = ( 0.0813954 0.0000000 0.0813954), wk = 0.0017730 k( 16) = ( 0.0872093 0.0000000 0.0872093), wk = 0.0017730 k( 17) = ( 0.0930233 0.0000000 0.0930233), wk = 0.0017730 k( 18) = ( 0.0988372 0.0000000 0.0988372), wk = 0.0017730 k( 19) = ( 0.1046512 0.0000000 0.1046512), wk = 0.0017730 k( 20) = ( 0.1104651 0.0000000 0.1104651), wk = 0.0017730 k( 21) = ( 0.1162791 0.0000000 0.1162791), wk = 0.0017730 k( 22) = ( 0.1220930 0.0000000 0.1220930), wk = 0.0017730 k( 23) = ( 0.1279070 0.0000000 0.1279070), wk = 0.0017730 k( 24) = ( 0.1337209 0.0000000 0.1337209), wk = 0.0017730 k( 25) = ( 0.1395349 0.0000000 0.1395349), wk = 0.0017730 k( 26) = ( 0.1453488 0.0000000 0.1453488), wk = 0.0017730 k( 27) = ( 0.1511628 0.0000000 0.1511628), wk = 0.0017730 k( 28) = ( 0.1569767 0.0000000 0.1569767), wk = 0.0017730 k( 29) = ( 0.1627907 0.0000000 0.1627907), wk = 0.0017730 k( 30) = ( 0.1686046 0.0000000 0.1686046), wk = 0.0017730 k( 31) = ( 0.1744186 0.0000000 0.1744186), wk = 0.0017730 k( 32) = ( 0.1802326 0.0000000 0.1802326), wk = 0.0017730 k( 33) = ( 0.1860465 0.0000000 0.1860465), wk = 0.0017730 k( 34) = ( 0.1918605 0.0000000 0.1918605), wk = 0.0017730 k( 35) = ( 0.1976744 0.0000000 0.1976744), wk = 0.0017730 k( 36) = ( 0.2034884 0.0000000 0.2034884), wk = 0.0017730 k( 37) = ( 0.2093023 0.0000000 0.2093023), wk = 0.0017730 k( 38) = ( 0.2151163 0.0000000 0.2151163), wk = 0.0017730 k( 39) = ( 0.2209302 0.0000000 0.2209302), wk = 0.0017730 k( 40) = ( 0.2267442 0.0000000 0.2267442), wk = 0.0017730 k( 41) = ( 0.2325581 0.0000000 0.2325581), wk = 0.0017730 k( 42) = ( 0.2383721 0.0000000 0.2383721), wk = 0.0017730 k( 43) = ( 0.2441860 0.0000000 0.2441860), wk = 0.0017730 k( 44) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0017730 k( 45) = ( 0.2558140 0.0000000 0.2558140), wk = 0.0017730 k( 46) = ( 0.2616279 0.0000000 0.2616279), wk = 0.0017730 k( 47) = ( 0.2674419 0.0000000 0.2674419), wk = 0.0017730 k( 48) = ( 0.2732558 0.0000000 0.2732558), wk = 0.0017730 k( 49) = ( 0.2790698 0.0000000 0.2790698), wk = 0.0017730 k( 50) = ( 0.2848837 0.0000000 0.2848837), wk = 0.0017730 k( 51) = ( 0.2906977 0.0000000 0.2906977), wk = 0.0017730 k( 52) = ( 0.2965116 0.0000000 0.2965116), wk = 0.0017730 k( 53) = ( 0.3023256 0.0000000 0.3023256), wk = 0.0017730 k( 54) = ( 0.3081395 0.0000000 0.3081395), wk = 0.0017730 k( 55) = ( 0.3139535 0.0000000 0.3139535), wk = 0.0017730 k( 56) = ( 0.3197674 0.0000000 0.3197674), wk = 0.0017730 k( 57) = ( 0.3255814 0.0000000 0.3255814), wk = 0.0017730 k( 58) = ( 0.3313953 0.0000000 0.3313953), wk = 0.0017730 k( 59) = ( 0.3372093 0.0000000 0.3372093), wk = 0.0017730 k( 60) = ( 0.3430233 0.0000000 0.3430233), wk = 0.0017730 k( 61) = ( 0.3488372 0.0000000 0.3488372), wk = 0.0017730 k( 62) = ( 0.3546512 0.0000000 0.3546512), wk = 0.0017730 k( 63) = ( 0.3604651 0.0000000 0.3604651), wk = 0.0017730 k( 64) = ( 0.3662791 0.0000000 0.3662791), wk = 0.0017730 k( 65) = ( 0.3720930 0.0000000 0.3720930), wk = 0.0017730 k( 66) = ( 0.3779070 0.0000000 0.3779070), wk = 0.0017730 k( 67) = ( 0.3837209 0.0000000 0.3837209), wk = 0.0017730 k( 68) = ( 0.3895349 0.0000000 0.3895349), wk = 0.0017730 k( 69) = ( 0.3953488 0.0000000 0.3953488), wk = 0.0017730 k( 70) = ( 0.4011628 0.0000000 0.4011628), wk = 0.0017730 k( 71) = ( 0.4069767 0.0000000 0.4069767), wk = 0.0017730 k( 72) = ( 0.4127907 0.0000000 0.4127907), wk = 0.0017730 k( 73) = ( 0.4186047 0.0000000 0.4186047), wk = 0.0017730 k( 74) = ( 0.4244186 0.0000000 0.4244186), wk = 0.0017730 k( 75) = ( 0.4302326 0.0000000 0.4302326), wk = 0.0017730 k( 76) = ( 0.4360465 0.0000000 0.4360465), wk = 0.0017730 k( 77) = ( 0.4418605 0.0000000 0.4418605), wk = 0.0017730 k( 78) = ( 0.4476744 0.0000000 0.4476744), wk = 0.0017730 k( 79) = ( 0.4534884 0.0000000 0.4534884), wk = 0.0017730 k( 80) = ( 0.4593023 0.0000000 0.4593023), wk = 0.0017730 k( 81) = ( 0.4651163 0.0000000 0.4651163), wk = 0.0017730 k( 82) = ( 0.4709302 0.0000000 0.4709302), wk = 0.0017730 k( 83) = ( 0.4767442 0.0000000 0.4767442), wk = 0.0017730 k( 84) = ( 0.4825581 0.0000000 0.4825581), wk = 0.0017730 k( 85) = ( 0.4883721 0.0000000 0.4883721), wk = 0.0017730 k( 86) = ( 0.4941860 0.0000000 0.4941860), wk = 0.0017730 k( 87) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0017730 k( 88) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0017730 k( 89) = ( 0.5000000 0.0058140 0.5058139), wk = 0.0017730 k( 90) = ( 0.5000000 0.0116279 0.5116279), wk = 0.0017730 k( 91) = ( 0.5000000 0.0174419 0.5174419), wk = 0.0017730 k( 92) = ( 0.5000000 0.0232558 0.5232558), wk = 0.0017730 k( 93) = ( 0.5000000 0.0290698 0.5290698), wk = 0.0017730 k( 94) = ( 0.5000000 0.0348837 0.5348837), wk = 0.0017730 k( 95) = ( 0.5000000 0.0406977 0.5406977), wk = 0.0017730 k( 96) = ( 0.5000000 0.0465116 0.5465116), wk = 0.0017730 k( 97) = ( 0.5000000 0.0523256 0.5523256), wk = 0.0017730 k( 98) = ( 0.5000000 0.0581395 0.5581395), wk = 0.0017730 k( 99) = ( 0.5000000 0.0639535 0.5639535), wk = 0.0017730 k( 100) = ( 0.5000000 0.0697674 0.5697674), wk = 0.0017730 k( 101) = ( 0.5000000 0.0755814 0.5755814), wk = 0.0017730 k( 102) = ( 0.5000000 0.0813954 0.5813953), wk = 0.0017730 k( 103) = ( 0.5000000 0.0872093 0.5872093), wk = 0.0017730 k( 104) = ( 0.5000000 0.0930233 0.5930233), wk = 0.0017730 k( 105) = ( 0.5000000 0.0988372 0.5988372), wk = 0.0017730 k( 106) = ( 0.5000000 0.1046512 0.6046512), wk = 0.0017730 k( 107) = ( 0.5000000 0.1104651 0.6104651), wk = 0.0017730 k( 108) = ( 0.5000000 0.1162791 0.6162791), wk = 0.0017730 k( 109) = ( 0.5000000 0.1220930 0.6220930), wk = 0.0017730 k( 110) = ( 0.5000000 0.1279070 0.6279070), wk = 0.0017730 k( 111) = ( 0.5000000 0.1337209 0.6337209), wk = 0.0017730 k( 112) = ( 0.5000000 0.1395349 0.6395349), wk = 0.0017730 k( 113) = ( 0.5000000 0.1453488 0.6453488), wk = 0.0017730 k( 114) = ( 0.5000000 0.1511628 0.6511628), wk = 0.0017730 k( 115) = ( 0.5000000 0.1569767 0.6569767), wk = 0.0017730 k( 116) = ( 0.5000000 0.1627907 0.6627907), wk = 0.0017730 k( 117) = ( 0.5000000 0.1686047 0.6686047), wk = 0.0017730 k( 118) = ( 0.5000000 0.1744186 0.6744186), wk = 0.0017730 k( 119) = ( 0.5000000 0.1802326 0.6802326), wk = 0.0017730 k( 120) = ( 0.5000000 0.1860465 0.6860465), wk = 0.0017730 k( 121) = ( 0.5000000 0.1918605 0.6918605), wk = 0.0017730 k( 122) = ( 0.5000000 0.1976744 0.6976744), wk = 0.0017730 k( 123) = ( 0.5000000 0.2034884 0.7034884), wk = 0.0017730 k( 124) = ( 0.5000000 0.2093023 0.7093023), wk = 0.0017730 k( 125) = ( 0.5000000 0.2151163 0.7151163), wk = 0.0017730 k( 126) = ( 0.5000000 0.2209302 0.7209302), wk = 0.0017730 k( 127) = ( 0.5000000 0.2267442 0.7267442), wk = 0.0017730 k( 128) = ( 0.5000000 0.2325581 0.7325581), wk = 0.0017730 k( 129) = ( 0.5000000 0.2383721 0.7383721), wk = 0.0017730 k( 130) = ( 0.5000000 0.2441861 0.7441860), wk = 0.0017730 k( 131) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0017730 k( 132) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0017730 k( 133) = ( 0.4959677 0.2540323 0.7500000), wk = 0.0017730 k( 134) = ( 0.4919355 0.2580645 0.7500000), wk = 0.0017730 k( 135) = ( 0.4879032 0.2620968 0.7500000), wk = 0.0017730 k( 136) = ( 0.4838710 0.2661290 0.7500000), wk = 0.0017730 k( 137) = ( 0.4798387 0.2701613 0.7500000), wk = 0.0017730 k( 138) = ( 0.4758064 0.2741936 0.7500000), wk = 0.0017730 k( 139) = ( 0.4717742 0.2782258 0.7500000), wk = 0.0017730 k( 140) = ( 0.4677419 0.2822581 0.7500000), wk = 0.0017730 k( 141) = ( 0.4637097 0.2862903 0.7500000), wk = 0.0017730 k( 142) = ( 0.4596774 0.2903226 0.7500000), wk = 0.0017730 k( 143) = ( 0.4556452 0.2943548 0.7500000), wk = 0.0017730 k( 144) = ( 0.4516129 0.2983871 0.7500000), wk = 0.0017730 k( 145) = ( 0.4475807 0.3024193 0.7500000), wk = 0.0017730 k( 146) = ( 0.4435484 0.3064516 0.7500000), wk = 0.0017730 k( 147) = ( 0.4395161 0.3104839 0.7500000), wk = 0.0017730 k( 148) = ( 0.4354839 0.3145161 0.7500000), wk = 0.0017730 k( 149) = ( 0.4314516 0.3185484 0.7500000), wk = 0.0017730 k( 150) = ( 0.4274193 0.3225807 0.7500000), wk = 0.0017730 k( 151) = ( 0.4233871 0.3266129 0.7500000), wk = 0.0017730 k( 152) = ( 0.4193548 0.3306452 0.7500000), wk = 0.0017730 k( 153) = ( 0.4153226 0.3346774 0.7500000), wk = 0.0017730 k( 154) = ( 0.4112903 0.3387097 0.7500000), wk = 0.0017730 k( 155) = ( 0.4072581 0.3427419 0.7500000), wk = 0.0017730 k( 156) = ( 0.4032258 0.3467742 0.7500000), wk = 0.0017730 k( 157) = ( 0.3991936 0.3508064 0.7500000), wk = 0.0017730 k( 158) = ( 0.3951613 0.3548387 0.7500000), wk = 0.0017730 k( 159) = ( 0.3911290 0.3588710 0.7500000), wk = 0.0017730 k( 160) = ( 0.3870968 0.3629032 0.7500000), wk = 0.0017730 k( 161) = ( 0.3830645 0.3669355 0.7500000), wk = 0.0017730 k( 162) = ( 0.3790323 0.3709677 0.7500000), wk = 0.0017730 k( 163) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0017730 k( 164) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0017730 k( 165) = ( 0.3708791 0.3708791 0.7417582), wk = 0.0017730 k( 166) = ( 0.3667582 0.3667582 0.7335165), wk = 0.0017730 k( 167) = ( 0.3626374 0.3626374 0.7252747), wk = 0.0017730 k( 168) = ( 0.3585165 0.3585165 0.7170330), wk = 0.0017730 k( 169) = ( 0.3543956 0.3543956 0.7087912), wk = 0.0017730 k( 170) = ( 0.3502747 0.3502747 0.7005495), wk = 0.0017730 k( 171) = ( 0.3461538 0.3461538 0.6923077), wk = 0.0017730 k( 172) = ( 0.3420330 0.3420330 0.6840659), wk = 0.0017730 k( 173) = ( 0.3379121 0.3379121 0.6758242), wk = 0.0017730 k( 174) = ( 0.3337912 0.3337912 0.6675824), wk = 0.0017730 k( 175) = ( 0.3296703 0.3296703 0.6593407), wk = 0.0017730 k( 176) = ( 0.3255495 0.3255495 0.6510989), wk = 0.0017730 k( 177) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0017730 k( 178) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0017730 k( 179) = ( 0.3131868 0.3131868 0.6263736), wk = 0.0017730 k( 180) = ( 0.3090659 0.3090659 0.6181319), wk = 0.0017730 k( 181) = ( 0.3049450 0.3049451 0.6098901), wk = 0.0017730 k( 182) = ( 0.3008242 0.3008242 0.6016484), wk = 0.0017730 k( 183) = ( 0.2967033 0.2967033 0.5934066), wk = 0.0017730 k( 184) = ( 0.2925824 0.2925824 0.5851648), wk = 0.0017730 k( 185) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0017730 k( 186) = ( 0.2843407 0.2843407 0.5686813), wk = 0.0017730 k( 187) = ( 0.2802198 0.2802198 0.5604396), wk = 0.0017730 k( 188) = ( 0.2760989 0.2760989 0.5521978), wk = 0.0017730 k( 189) = ( 0.2719780 0.2719780 0.5439560), wk = 0.0017730 k( 190) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0017730 k( 191) = ( 0.2637363 0.2637363 0.5274725), wk = 0.0017730 k( 192) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0017730 k( 193) = ( 0.2554945 0.2554945 0.5109890), wk = 0.0017730 k( 194) = ( 0.2513736 0.2513736 0.5027472), wk = 0.0017730 k( 195) = ( 0.2472527 0.2472528 0.4945055), wk = 0.0017730 k( 196) = ( 0.2431319 0.2431319 0.4862637), wk = 0.0017730 k( 197) = ( 0.2390110 0.2390110 0.4780220), wk = 0.0017730 k( 198) = ( 0.2348901 0.2348901 0.4697802), wk = 0.0017730 k( 199) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0017730 k( 200) = ( 0.2266483 0.2266484 0.4532967), wk = 0.0017730 k( 201) = ( 0.2225275 0.2225275 0.4450550), wk = 0.0017730 k( 202) = ( 0.2184066 0.2184066 0.4368132), wk = 0.0017730 k( 203) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0017730 k( 204) = ( 0.2101648 0.2101648 0.4203297), wk = 0.0017730 k( 205) = ( 0.2060440 0.2060440 0.4120879), wk = 0.0017730 k( 206) = ( 0.2019231 0.2019231 0.4038462), wk = 0.0017730 k( 207) = ( 0.1978022 0.1978022 0.3956044), wk = 0.0017730 k( 208) = ( 0.1936813 0.1936813 0.3873626), wk = 0.0017730 k( 209) = ( 0.1895604 0.1895604 0.3791209), wk = 0.0017730 k( 210) = ( 0.1854396 0.1854396 0.3708791), wk = 0.0017730 k( 211) = ( 0.1813187 0.1813187 0.3626374), wk = 0.0017730 k( 212) = ( 0.1771978 0.1771978 0.3543956), wk = 0.0017730 k( 213) = ( 0.1730769 0.1730769 0.3461538), wk = 0.0017730 k( 214) = ( 0.1689560 0.1689560 0.3379121), wk = 0.0017730 k( 215) = ( 0.1648352 0.1648352 0.3296703), wk = 0.0017730 k( 216) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0017730 k( 217) = ( 0.1565934 0.1565934 0.3131868), wk = 0.0017730 k( 218) = ( 0.1524725 0.1524725 0.3049450), wk = 0.0017730 k( 219) = ( 0.1483517 0.1483517 0.2967033), wk = 0.0017730 k( 220) = ( 0.1442308 0.1442308 0.2884615), wk = 0.0017730 k( 221) = ( 0.1401099 0.1401099 0.2802198), wk = 0.0017730 k( 222) = ( 0.1359890 0.1359890 0.2719780), wk = 0.0017730 k( 223) = ( 0.1318681 0.1318681 0.2637363), wk = 0.0017730 k( 224) = ( 0.1277473 0.1277473 0.2554945), wk = 0.0017730 k( 225) = ( 0.1236264 0.1236264 0.2472527), wk = 0.0017730 k( 226) = ( 0.1195055 0.1195055 0.2390110), wk = 0.0017730 k( 227) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0017730 k( 228) = ( 0.1112637 0.1112637 0.2225275), wk = 0.0017730 k( 229) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0017730 k( 230) = ( 0.1030220 0.1030220 0.2060440), wk = 0.0017730 k( 231) = ( 0.0989011 0.0989011 0.1978022), wk = 0.0017730 k( 232) = ( 0.0947802 0.0947802 0.1895604), wk = 0.0017730 k( 233) = ( 0.0906593 0.0906593 0.1813187), wk = 0.0017730 k( 234) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0017730 k( 235) = ( 0.0824176 0.0824176 0.1648352), wk = 0.0017730 k( 236) = ( 0.0782967 0.0782967 0.1565934), wk = 0.0017730 k( 237) = ( 0.0741758 0.0741758 0.1483517), wk = 0.0017730 k( 238) = ( 0.0700550 0.0700550 0.1401099), wk = 0.0017730 k( 239) = ( 0.0659341 0.0659341 0.1318681), wk = 0.0017730 k( 240) = ( 0.0618132 0.0618132 0.1236264), wk = 0.0017730 k( 241) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0017730 k( 242) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0017730 k( 243) = ( 0.0494506 0.0494506 0.0989011), wk = 0.0017730 k( 244) = ( 0.0453297 0.0453297 0.0906593), wk = 0.0017730 k( 245) = ( 0.0412088 0.0412088 0.0824176), wk = 0.0017730 k( 246) = ( 0.0370879 0.0370879 0.0741758), wk = 0.0017730 k( 247) = ( 0.0329670 0.0329670 0.0659341), wk = 0.0017730 k( 248) = ( 0.0288462 0.0288462 0.0576923), wk = 0.0017730 k( 249) = ( 0.0247253 0.0247253 0.0494506), wk = 0.0017730 k( 250) = ( 0.0206044 0.0206044 0.0412088), wk = 0.0017730 k( 251) = ( 0.0164835 0.0164835 0.0329670), wk = 0.0017730 k( 252) = ( 0.0123626 0.0123626 0.0247253), wk = 0.0017730 k( 253) = ( 0.0082418 0.0082418 0.0164835), wk = 0.0017730 k( 254) = ( 0.0041209 0.0041209 0.0082418), wk = 0.0017730 k( 255) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017730 k( 256) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017730 k( 257) = ( 0.0067568 0.0067568 0.0067568), wk = 0.0017730 k( 258) = ( 0.0135135 0.0135135 0.0135135), wk = 0.0017730 k( 259) = ( 0.0202703 0.0202703 0.0202703), wk = 0.0017730 k( 260) = ( 0.0270270 0.0270270 0.0270270), wk = 0.0017730 k( 261) = ( 0.0337838 0.0337838 0.0337838), wk = 0.0017730 k( 262) = ( 0.0405405 0.0405405 0.0405405), wk = 0.0017730 k( 263) = ( 0.0472973 0.0472973 0.0472973), wk = 0.0017730 k( 264) = ( 0.0540540 0.0540540 0.0540540), wk = 0.0017730 k( 265) = ( 0.0608108 0.0608108 0.0608108), wk = 0.0017730 k( 266) = ( 0.0675676 0.0675676 0.0675676), wk = 0.0017730 k( 267) = ( 0.0743243 0.0743243 0.0743243), wk = 0.0017730 k( 268) = ( 0.0810811 0.0810811 0.0810811), wk = 0.0017730 k( 269) = ( 0.0878378 0.0878378 0.0878378), wk = 0.0017730 k( 270) = ( 0.0945946 0.0945946 0.0945946), wk = 0.0017730 k( 271) = ( 0.1013514 0.1013514 0.1013514), wk = 0.0017730 k( 272) = ( 0.1081081 0.1081081 0.1081081), wk = 0.0017730 k( 273) = ( 0.1148649 0.1148649 0.1148649), wk = 0.0017730 k( 274) = ( 0.1216216 0.1216216 0.1216216), wk = 0.0017730 k( 275) = ( 0.1283784 0.1283784 0.1283784), wk = 0.0017730 k( 276) = ( 0.1351351 0.1351351 0.1351351), wk = 0.0017730 k( 277) = ( 0.1418919 0.1418919 0.1418919), wk = 0.0017730 k( 278) = ( 0.1486486 0.1486486 0.1486486), wk = 0.0017730 k( 279) = ( 0.1554054 0.1554054 0.1554054), wk = 0.0017730 k( 280) = ( 0.1621622 0.1621622 0.1621622), wk = 0.0017730 k( 281) = ( 0.1689189 0.1689189 0.1689189), wk = 0.0017730 k( 282) = ( 0.1756757 0.1756757 0.1756757), wk = 0.0017730 k( 283) = ( 0.1824324 0.1824324 0.1824324), wk = 0.0017730 k( 284) = ( 0.1891892 0.1891892 0.1891892), wk = 0.0017730 k( 285) = ( 0.1959460 0.1959460 0.1959460), wk = 0.0017730 k( 286) = ( 0.2027027 0.2027027 0.2027027), wk = 0.0017730 k( 287) = ( 0.2094595 0.2094595 0.2094595), wk = 0.0017730 k( 288) = ( 0.2162162 0.2162162 0.2162162), wk = 0.0017730 k( 289) = ( 0.2229730 0.2229730 0.2229730), wk = 0.0017730 k( 290) = ( 0.2297297 0.2297297 0.2297297), wk = 0.0017730 k( 291) = ( 0.2364865 0.2364865 0.2364865), wk = 0.0017730 k( 292) = ( 0.2432432 0.2432432 0.2432432), wk = 0.0017730 k( 293) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0017730 k( 294) = ( 0.2567568 0.2567568 0.2567568), wk = 0.0017730 k( 295) = ( 0.2635135 0.2635135 0.2635135), wk = 0.0017730 k( 296) = ( 0.2702703 0.2702703 0.2702703), wk = 0.0017730 k( 297) = ( 0.2770270 0.2770270 0.2770270), wk = 0.0017730 k( 298) = ( 0.2837838 0.2837838 0.2837838), wk = 0.0017730 k( 299) = ( 0.2905405 0.2905405 0.2905405), wk = 0.0017730 k( 300) = ( 0.2972973 0.2972973 0.2972973), wk = 0.0017730 k( 301) = ( 0.3040541 0.3040541 0.3040541), wk = 0.0017730 k( 302) = ( 0.3108108 0.3108108 0.3108108), wk = 0.0017730 k( 303) = ( 0.3175676 0.3175676 0.3175676), wk = 0.0017730 k( 304) = ( 0.3243243 0.3243243 0.3243243), wk = 0.0017730 k( 305) = ( 0.3310811 0.3310811 0.3310811), wk = 0.0017730 k( 306) = ( 0.3378378 0.3378378 0.3378378), wk = 0.0017730 k( 307) = ( 0.3445946 0.3445946 0.3445946), wk = 0.0017730 k( 308) = ( 0.3513514 0.3513514 0.3513514), wk = 0.0017730 k( 309) = ( 0.3581081 0.3581081 0.3581081), wk = 0.0017730 k( 310) = ( 0.3648649 0.3648649 0.3648649), wk = 0.0017730 k( 311) = ( 0.3716216 0.3716216 0.3716216), wk = 0.0017730 k( 312) = ( 0.3783784 0.3783784 0.3783784), wk = 0.0017730 k( 313) = ( 0.3851351 0.3851351 0.3851351), wk = 0.0017730 k( 314) = ( 0.3918919 0.3918919 0.3918919), wk = 0.0017730 k( 315) = ( 0.3986486 0.3986486 0.3986486), wk = 0.0017730 k( 316) = ( 0.4054054 0.4054054 0.4054054), wk = 0.0017730 k( 317) = ( 0.4121622 0.4121622 0.4121622), wk = 0.0017730 k( 318) = ( 0.4189189 0.4189189 0.4189189), wk = 0.0017730 k( 319) = ( 0.4256757 0.4256757 0.4256757), wk = 0.0017730 k( 320) = ( 0.4324324 0.4324324 0.4324324), wk = 0.0017730 k( 321) = ( 0.4391892 0.4391892 0.4391892), wk = 0.0017730 k( 322) = ( 0.4459459 0.4459459 0.4459459), wk = 0.0017730 k( 323) = ( 0.4527027 0.4527027 0.4527027), wk = 0.0017730 k( 324) = ( 0.4594595 0.4594595 0.4594595), wk = 0.0017730 k( 325) = ( 0.4662162 0.4662162 0.4662162), wk = 0.0017730 k( 326) = ( 0.4729730 0.4729730 0.4729730), wk = 0.0017730 k( 327) = ( 0.4797297 0.4797297 0.4797297), wk = 0.0017730 k( 328) = ( 0.4864865 0.4864865 0.4864865), wk = 0.0017730 k( 329) = ( 0.4932432 0.4932432 0.4932432), wk = 0.0017730 k( 330) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0017730 k( 331) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0017730 k( 332) = ( 0.5023585 0.4952830 0.5023585), wk = 0.0017730 k( 333) = ( 0.5047170 0.4905660 0.5047170), wk = 0.0017730 k( 334) = ( 0.5070755 0.4858491 0.5070755), wk = 0.0017730 k( 335) = ( 0.5094340 0.4811321 0.5094340), wk = 0.0017730 k( 336) = ( 0.5117924 0.4764151 0.5117924), wk = 0.0017730 k( 337) = ( 0.5141509 0.4716981 0.5141509), wk = 0.0017730 k( 338) = ( 0.5165094 0.4669811 0.5165094), wk = 0.0017730 k( 339) = ( 0.5188679 0.4622642 0.5188679), wk = 0.0017730 k( 340) = ( 0.5212264 0.4575472 0.5212264), wk = 0.0017730 k( 341) = ( 0.5235849 0.4528302 0.5235849), wk = 0.0017730 k( 342) = ( 0.5259434 0.4481132 0.5259434), wk = 0.0017730 k( 343) = ( 0.5283019 0.4433962 0.5283019), wk = 0.0017730 k( 344) = ( 0.5306604 0.4386793 0.5306604), wk = 0.0017730 k( 345) = ( 0.5330189 0.4339623 0.5330189), wk = 0.0017730 k( 346) = ( 0.5353774 0.4292453 0.5353774), wk = 0.0017730 k( 347) = ( 0.5377359 0.4245283 0.5377359), wk = 0.0017730 k( 348) = ( 0.5400943 0.4198113 0.5400943), wk = 0.0017730 k( 349) = ( 0.5424528 0.4150943 0.5424528), wk = 0.0017730 k( 350) = ( 0.5448113 0.4103774 0.5448113), wk = 0.0017730 k( 351) = ( 0.5471698 0.4056604 0.5471698), wk = 0.0017730 k( 352) = ( 0.5495283 0.4009434 0.5495283), wk = 0.0017730 k( 353) = ( 0.5518868 0.3962264 0.5518868), wk = 0.0017730 k( 354) = ( 0.5542453 0.3915094 0.5542453), wk = 0.0017730 k( 355) = ( 0.5566038 0.3867925 0.5566038), wk = 0.0017730 k( 356) = ( 0.5589623 0.3820755 0.5589623), wk = 0.0017730 k( 357) = ( 0.5613208 0.3773585 0.5613208), wk = 0.0017730 k( 358) = ( 0.5636792 0.3726415 0.5636792), wk = 0.0017730 k( 359) = ( 0.5660377 0.3679245 0.5660377), wk = 0.0017730 k( 360) = ( 0.5683962 0.3632075 0.5683962), wk = 0.0017730 k( 361) = ( 0.5707547 0.3584906 0.5707547), wk = 0.0017730 k( 362) = ( 0.5731132 0.3537736 0.5731132), wk = 0.0017730 k( 363) = ( 0.5754717 0.3490566 0.5754717), wk = 0.0017730 k( 364) = ( 0.5778302 0.3443396 0.5778302), wk = 0.0017730 k( 365) = ( 0.5801887 0.3396226 0.5801887), wk = 0.0017730 k( 366) = ( 0.5825472 0.3349057 0.5825472), wk = 0.0017730 k( 367) = ( 0.5849057 0.3301887 0.5849057), wk = 0.0017730 k( 368) = ( 0.5872641 0.3254717 0.5872641), wk = 0.0017730 k( 369) = ( 0.5896226 0.3207547 0.5896226), wk = 0.0017730 k( 370) = ( 0.5919811 0.3160377 0.5919811), wk = 0.0017730 k( 371) = ( 0.5943396 0.3113208 0.5943396), wk = 0.0017730 k( 372) = ( 0.5966981 0.3066038 0.5966981), wk = 0.0017730 k( 373) = ( 0.5990566 0.3018868 0.5990566), wk = 0.0017730 k( 374) = ( 0.6014151 0.2971698 0.6014151), wk = 0.0017730 k( 375) = ( 0.6037736 0.2924528 0.6037736), wk = 0.0017730 k( 376) = ( 0.6061321 0.2877359 0.6061321), wk = 0.0017730 k( 377) = ( 0.6084906 0.2830189 0.6084906), wk = 0.0017730 k( 378) = ( 0.6108491 0.2783019 0.6108491), wk = 0.0017730 k( 379) = ( 0.6132076 0.2735849 0.6132076), wk = 0.0017730 k( 380) = ( 0.6155660 0.2688679 0.6155660), wk = 0.0017730 k( 381) = ( 0.6179245 0.2641509 0.6179245), wk = 0.0017730 k( 382) = ( 0.6202830 0.2594340 0.6202830), wk = 0.0017730 k( 383) = ( 0.6226415 0.2547170 0.6226415), wk = 0.0017730 k( 384) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0017730 k( 385) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0017730 k( 386) = ( 0.6209677 0.2500000 0.6290323), wk = 0.0017730 k( 387) = ( 0.6169355 0.2500000 0.6330645), wk = 0.0017730 k( 388) = ( 0.6129032 0.2500000 0.6370968), wk = 0.0017730 k( 389) = ( 0.6088710 0.2500000 0.6411290), wk = 0.0017730 k( 390) = ( 0.6048387 0.2500000 0.6451613), wk = 0.0017730 k( 391) = ( 0.6008064 0.2500000 0.6491936), wk = 0.0017730 k( 392) = ( 0.5967742 0.2500000 0.6532258), wk = 0.0017730 k( 393) = ( 0.5927419 0.2500000 0.6572581), wk = 0.0017730 k( 394) = ( 0.5887097 0.2500000 0.6612903), wk = 0.0017730 k( 395) = ( 0.5846774 0.2500000 0.6653226), wk = 0.0017730 k( 396) = ( 0.5806452 0.2500000 0.6693548), wk = 0.0017730 k( 397) = ( 0.5766129 0.2500000 0.6733871), wk = 0.0017730 k( 398) = ( 0.5725807 0.2500000 0.6774193), wk = 0.0017730 k( 399) = ( 0.5685484 0.2500000 0.6814516), wk = 0.0017730 k( 400) = ( 0.5645161 0.2500000 0.6854839), wk = 0.0017730 k( 401) = ( 0.5604839 0.2500000 0.6895161), wk = 0.0017730 k( 402) = ( 0.5564516 0.2500000 0.6935484), wk = 0.0017730 k( 403) = ( 0.5524193 0.2500000 0.6975807), wk = 0.0017730 k( 404) = ( 0.5483871 0.2500000 0.7016129), wk = 0.0017730 k( 405) = ( 0.5443548 0.2500000 0.7056452), wk = 0.0017730 k( 406) = ( 0.5403226 0.2500000 0.7096774), wk = 0.0017730 k( 407) = ( 0.5362903 0.2500000 0.7137097), wk = 0.0017730 k( 408) = ( 0.5322581 0.2500000 0.7177419), wk = 0.0017730 k( 409) = ( 0.5282258 0.2500000 0.7217742), wk = 0.0017730 k( 410) = ( 0.5241936 0.2500000 0.7258064), wk = 0.0017730 k( 411) = ( 0.5201613 0.2500000 0.7298387), wk = 0.0017730 k( 412) = ( 0.5161290 0.2500000 0.7338710), wk = 0.0017730 k( 413) = ( 0.5120968 0.2500000 0.7379032), wk = 0.0017730 k( 414) = ( 0.5080645 0.2500000 0.7419355), wk = 0.0017730 k( 415) = ( 0.5040323 0.2500000 0.7459677), wk = 0.0017730 k( 416) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0017730 k( 417) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0017730 k( 418) = ( 0.5000000 0.2540984 0.7459016), wk = 0.0017730 k( 419) = ( 0.5000000 0.2581967 0.7418033), wk = 0.0017730 k( 420) = ( 0.5000000 0.2622951 0.7377049), wk = 0.0017730 k( 421) = ( 0.5000000 0.2663934 0.7336066), wk = 0.0017730 k( 422) = ( 0.5000000 0.2704918 0.7295082), wk = 0.0017730 k( 423) = ( 0.5000000 0.2745902 0.7254098), wk = 0.0017730 k( 424) = ( 0.5000000 0.2786885 0.7213115), wk = 0.0017730 k( 425) = ( 0.5000000 0.2827869 0.7172131), wk = 0.0017730 k( 426) = ( 0.5000000 0.2868852 0.7131148), wk = 0.0017730 k( 427) = ( 0.5000000 0.2909836 0.7090164), wk = 0.0017730 k( 428) = ( 0.5000000 0.2950820 0.7049180), wk = 0.0017730 k( 429) = ( 0.5000000 0.2991803 0.7008197), wk = 0.0017730 k( 430) = ( 0.5000000 0.3032787 0.6967213), wk = 0.0017730 k( 431) = ( 0.5000000 0.3073770 0.6926229), wk = 0.0017730 k( 432) = ( 0.5000000 0.3114754 0.6885246), wk = 0.0017730 k( 433) = ( 0.5000000 0.3155738 0.6844262), wk = 0.0017730 k( 434) = ( 0.5000000 0.3196721 0.6803279), wk = 0.0017730 k( 435) = ( 0.5000000 0.3237705 0.6762295), wk = 0.0017730 k( 436) = ( 0.5000000 0.3278688 0.6721312), wk = 0.0017730 k( 437) = ( 0.5000000 0.3319672 0.6680328), wk = 0.0017730 k( 438) = ( 0.5000000 0.3360656 0.6639344), wk = 0.0017730 k( 439) = ( 0.5000000 0.3401639 0.6598361), wk = 0.0017730 k( 440) = ( 0.5000000 0.3442623 0.6557377), wk = 0.0017730 k( 441) = ( 0.5000000 0.3483607 0.6516393), wk = 0.0017730 k( 442) = ( 0.5000000 0.3524590 0.6475410), wk = 0.0017730 k( 443) = ( 0.5000000 0.3565574 0.6434426), wk = 0.0017730 k( 444) = ( 0.5000000 0.3606557 0.6393443), wk = 0.0017730 k( 445) = ( 0.5000000 0.3647541 0.6352459), wk = 0.0017730 k( 446) = ( 0.5000000 0.3688525 0.6311475), wk = 0.0017730 k( 447) = ( 0.5000000 0.3729508 0.6270492), wk = 0.0017730 k( 448) = ( 0.5000000 0.3770492 0.6229508), wk = 0.0017730 k( 449) = ( 0.5000000 0.3811475 0.6188525), wk = 0.0017730 k( 450) = ( 0.5000000 0.3852459 0.6147541), wk = 0.0017730 k( 451) = ( 0.5000000 0.3893443 0.6106557), wk = 0.0017730 k( 452) = ( 0.5000000 0.3934426 0.6065574), wk = 0.0017730 k( 453) = ( 0.5000000 0.3975410 0.6024590), wk = 0.0017730 k( 454) = ( 0.5000000 0.4016393 0.5983607), wk = 0.0017730 k( 455) = ( 0.5000000 0.4057377 0.5942623), wk = 0.0017730 k( 456) = ( 0.5000000 0.4098361 0.5901639), wk = 0.0017730 k( 457) = ( 0.5000000 0.4139344 0.5860656), wk = 0.0017730 k( 458) = ( 0.5000000 0.4180328 0.5819672), wk = 0.0017730 k( 459) = ( 0.5000000 0.4221312 0.5778688), wk = 0.0017730 k( 460) = ( 0.5000000 0.4262295 0.5737705), wk = 0.0017730 k( 461) = ( 0.5000000 0.4303279 0.5696721), wk = 0.0017730 k( 462) = ( 0.5000000 0.4344262 0.5655738), wk = 0.0017730 k( 463) = ( 0.5000000 0.4385246 0.5614754), wk = 0.0017730 k( 464) = ( 0.5000000 0.4426230 0.5573771), wk = 0.0017730 k( 465) = ( 0.5000000 0.4467213 0.5532787), wk = 0.0017730 k( 466) = ( 0.5000000 0.4508197 0.5491803), wk = 0.0017730 k( 467) = ( 0.5000000 0.4549180 0.5450820), wk = 0.0017730 k( 468) = ( 0.5000000 0.4590164 0.5409836), wk = 0.0017730 k( 469) = ( 0.5000000 0.4631148 0.5368852), wk = 0.0017730 k( 470) = ( 0.5000000 0.4672131 0.5327869), wk = 0.0017730 k( 471) = ( 0.5000000 0.4713115 0.5286885), wk = 0.0017730 k( 472) = ( 0.5000000 0.4754098 0.5245902), wk = 0.0017730 k( 473) = ( 0.5000000 0.4795082 0.5204918), wk = 0.0017730 k( 474) = ( 0.5000000 0.4836066 0.5163934), wk = 0.0017730 k( 475) = ( 0.5000000 0.4877049 0.5122951), wk = 0.0017730 k( 476) = ( 0.5000000 0.4918033 0.5081967), wk = 0.0017730 k( 477) = ( 0.5000000 0.4959016 0.5040984), wk = 0.0017730 k( 478) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0017730 k( 479) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0017730 k( 480) = ( 0.4976415 0.4976415 0.5047170), wk = 0.0017730 k( 481) = ( 0.4952830 0.4952830 0.5094340), wk = 0.0017730 k( 482) = ( 0.4929245 0.4929245 0.5141509), wk = 0.0017730 k( 483) = ( 0.4905660 0.4905660 0.5188679), wk = 0.0017730 k( 484) = ( 0.4882075 0.4882075 0.5235849), wk = 0.0017730 k( 485) = ( 0.4858491 0.4858491 0.5283019), wk = 0.0017730 k( 486) = ( 0.4834906 0.4834906 0.5330189), wk = 0.0017730 k( 487) = ( 0.4811321 0.4811321 0.5377359), wk = 0.0017730 k( 488) = ( 0.4787736 0.4787736 0.5424528), wk = 0.0017730 k( 489) = ( 0.4764151 0.4764151 0.5471698), wk = 0.0017730 k( 490) = ( 0.4740566 0.4740566 0.5518868), wk = 0.0017730 k( 491) = ( 0.4716981 0.4716981 0.5566038), wk = 0.0017730 k( 492) = ( 0.4693396 0.4693396 0.5613208), wk = 0.0017730 k( 493) = ( 0.4669811 0.4669811 0.5660377), wk = 0.0017730 k( 494) = ( 0.4646226 0.4646226 0.5707547), wk = 0.0017730 k( 495) = ( 0.4622641 0.4622642 0.5754717), wk = 0.0017730 k( 496) = ( 0.4599057 0.4599057 0.5801887), wk = 0.0017730 k( 497) = ( 0.4575472 0.4575472 0.5849057), wk = 0.0017730 k( 498) = ( 0.4551887 0.4551887 0.5896226), wk = 0.0017730 k( 499) = ( 0.4528302 0.4528302 0.5943396), wk = 0.0017730 k( 500) = ( 0.4504717 0.4504717 0.5990566), wk = 0.0017730 k( 501) = ( 0.4481132 0.4481132 0.6037736), wk = 0.0017730 k( 502) = ( 0.4457547 0.4457547 0.6084906), wk = 0.0017730 k( 503) = ( 0.4433962 0.4433962 0.6132076), wk = 0.0017730 k( 504) = ( 0.4410377 0.4410377 0.6179245), wk = 0.0017730 k( 505) = ( 0.4386793 0.4386793 0.6226415), wk = 0.0017730 k( 506) = ( 0.4363207 0.4363207 0.6273585), wk = 0.0017730 k( 507) = ( 0.4339623 0.4339623 0.6320755), wk = 0.0017730 k( 508) = ( 0.4316038 0.4316038 0.6367924), wk = 0.0017730 k( 509) = ( 0.4292453 0.4292453 0.6415094), wk = 0.0017730 k( 510) = ( 0.4268868 0.4268868 0.6462264), wk = 0.0017730 k( 511) = ( 0.4245283 0.4245283 0.6509434), wk = 0.0017730 k( 512) = ( 0.4221698 0.4221698 0.6556604), wk = 0.0017730 k( 513) = ( 0.4198113 0.4198113 0.6603774), wk = 0.0017730 k( 514) = ( 0.4174528 0.4174528 0.6650943), wk = 0.0017730 k( 515) = ( 0.4150943 0.4150943 0.6698113), wk = 0.0017730 k( 516) = ( 0.4127359 0.4127359 0.6745283), wk = 0.0017730 k( 517) = ( 0.4103774 0.4103774 0.6792453), wk = 0.0017730 k( 518) = ( 0.4080189 0.4080189 0.6839623), wk = 0.0017730 k( 519) = ( 0.4056604 0.4056604 0.6886792), wk = 0.0017730 k( 520) = ( 0.4033019 0.4033019 0.6933962), wk = 0.0017730 k( 521) = ( 0.4009434 0.4009434 0.6981132), wk = 0.0017730 k( 522) = ( 0.3985849 0.3985849 0.7028302), wk = 0.0017730 k( 523) = ( 0.3962264 0.3962264 0.7075472), wk = 0.0017730 k( 524) = ( 0.3938679 0.3938679 0.7122641), wk = 0.0017730 k( 525) = ( 0.3915094 0.3915094 0.7169811), wk = 0.0017730 k( 526) = ( 0.3891509 0.3891509 0.7216981), wk = 0.0017730 k( 527) = ( 0.3867925 0.3867925 0.7264151), wk = 0.0017730 k( 528) = ( 0.3844340 0.3844340 0.7311321), wk = 0.0017730 k( 529) = ( 0.3820755 0.3820755 0.7358491), wk = 0.0017730 k( 530) = ( 0.3797170 0.3797170 0.7405660), wk = 0.0017730 k( 531) = ( 0.3773585 0.3773585 0.7452830), wk = 0.0017730 k( 532) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0017730 k( 533) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0017730 k( 534) = ( 0.6209677 0.2419355 0.6209677), wk = 0.0017730 k( 535) = ( 0.6169355 0.2338710 0.6169355), wk = 0.0017730 k( 536) = ( 0.6129032 0.2258064 0.6129032), wk = 0.0017730 k( 537) = ( 0.6088710 0.2177419 0.6088710), wk = 0.0017730 k( 538) = ( 0.6048387 0.2096774 0.6048387), wk = 0.0017730 k( 539) = ( 0.6008064 0.2016129 0.6008064), wk = 0.0017730 k( 540) = ( 0.5967742 0.1935484 0.5967742), wk = 0.0017730 k( 541) = ( 0.5927419 0.1854839 0.5927419), wk = 0.0017730 k( 542) = ( 0.5887097 0.1774194 0.5887097), wk = 0.0017730 k( 543) = ( 0.5846774 0.1693548 0.5846774), wk = 0.0017730 k( 544) = ( 0.5806452 0.1612903 0.5806452), wk = 0.0017730 k( 545) = ( 0.5766129 0.1532258 0.5766129), wk = 0.0017730 k( 546) = ( 0.5725807 0.1451613 0.5725807), wk = 0.0017730 k( 547) = ( 0.5685484 0.1370968 0.5685484), wk = 0.0017730 k( 548) = ( 0.5645161 0.1290323 0.5645161), wk = 0.0017730 k( 549) = ( 0.5604839 0.1209677 0.5604839), wk = 0.0017730 k( 550) = ( 0.5564516 0.1129032 0.5564516), wk = 0.0017730 k( 551) = ( 0.5524193 0.1048387 0.5524193), wk = 0.0017730 k( 552) = ( 0.5483871 0.0967742 0.5483871), wk = 0.0017730 k( 553) = ( 0.5443548 0.0887097 0.5443548), wk = 0.0017730 k( 554) = ( 0.5403226 0.0806452 0.5403226), wk = 0.0017730 k( 555) = ( 0.5362903 0.0725807 0.5362903), wk = 0.0017730 k( 556) = ( 0.5322581 0.0645161 0.5322581), wk = 0.0017730 k( 557) = ( 0.5282258 0.0564516 0.5282258), wk = 0.0017730 k( 558) = ( 0.5241936 0.0483871 0.5241936), wk = 0.0017730 k( 559) = ( 0.5201613 0.0403226 0.5201613), wk = 0.0017730 k( 560) = ( 0.5161290 0.0322581 0.5161290), wk = 0.0017730 k( 561) = ( 0.5120968 0.0241936 0.5120968), wk = 0.0017730 k( 562) = ( 0.5080645 0.0161290 0.5080645), wk = 0.0017730 k( 563) = ( 0.5040323 0.0080645 0.5040323), wk = 0.0017730 k( 564) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0017730 Dense grid: 7991 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 64, 22) NL pseudopotentials 0.02 Mb ( 32, 34) Each V/rho on FFT grid 0.01 Mb ( 729) Each G-vector array 0.00 Mb ( 222) G-vector shells 0.00 Mb ( 88) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.09 Mb ( 64, 88) Each subspace H/S matrix 0.01 Mb ( 22, 22) Each matrix 0.02 Mb ( 34, 2, 22) The potential is recalculated from file : ./Cr.save/charge-density.dat Starting wfc are 20 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.3 secs Computing kpt #: 2 total cpu time spent up to now is 1.4 secs Computing kpt #: 3 total cpu time spent up to now is 1.5 secs Computing kpt #: 4 total cpu time spent up to now is 1.5 secs Computing kpt #: 5 total cpu time spent up to now is 1.6 secs Computing kpt #: 6 total cpu time spent up to now is 1.7 secs Computing kpt #: 7 total cpu time spent up to now is 1.7 secs Computing kpt #: 8 total cpu time spent up to now is 1.8 secs Computing kpt #: 9 total cpu time spent up to now is 1.8 secs Computing kpt #: 10 total cpu time spent up to now is 1.9 secs Computing kpt #: 11 total cpu time spent up to now is 2.0 secs Computing kpt #: 12 total cpu time spent up to now is 2.0 secs Computing kpt #: 13 total cpu time spent up to now is 2.1 secs Computing kpt #: 14 total cpu time spent up to now is 2.2 secs Computing kpt #: 15 total cpu time spent up to now is 2.2 secs Computing kpt #: 16 total cpu time spent up to now is 2.3 secs Computing kpt #: 17 total cpu time spent up to now is 2.4 secs Computing kpt #: 18 total cpu time spent up to now is 2.4 secs Computing kpt #: 19 total cpu time spent up to now is 2.5 secs Computing kpt #: 20 total cpu time spent up to now is 2.6 secs Computing kpt #: 21 total cpu time spent up to now is 2.6 secs Computing kpt #: 22 total cpu time spent up to now is 2.7 secs Computing kpt #: 23 total cpu time spent up to now is 2.8 secs Computing kpt #: 24 total cpu time spent up to now is 2.8 secs Computing kpt #: 25 total cpu time spent up to now is 2.9 secs Computing kpt #: 26 total cpu time spent up to now is 3.0 secs Computing kpt #: 27 total cpu time spent up to now is 3.1 secs Computing kpt #: 28 total cpu time spent up to now is 3.1 secs Computing kpt #: 29 total cpu time spent up to now is 3.2 secs Computing kpt #: 30 total cpu time spent up to now is 3.3 secs Computing kpt #: 31 total cpu time spent up to now is 3.4 secs Computing kpt #: 32 total cpu time spent up to now is 3.5 secs Computing kpt #: 33 total cpu time spent up to now is 3.6 secs Computing kpt #: 34 total cpu time spent up to now is 3.6 secs Computing kpt #: 35 total cpu time spent up to now is 3.7 secs Computing kpt #: 36 total cpu time spent up to now is 3.8 secs Computing kpt #: 37 total cpu time spent up to now is 3.9 secs Computing kpt #: 38 total cpu time spent up to now is 4.0 secs Computing kpt #: 39 total cpu time spent up to now is 4.1 secs Computing kpt #: 40 total cpu time spent up to now is 4.2 secs Computing kpt #: 41 total cpu time spent up to now is 4.3 secs Computing kpt #: 42 total cpu time spent up to now is 4.4 secs Computing kpt #: 43 total cpu time spent up to now is 4.5 secs Computing kpt #: 44 total cpu time spent up to now is 4.6 secs Computing kpt #: 45 total cpu time spent up to now is 4.6 secs Computing kpt #: 46 total cpu time spent up to now is 4.7 secs Computing kpt #: 47 total cpu time spent up to now is 4.8 secs Computing kpt #: 48 total cpu time spent up to now is 4.9 secs Computing kpt #: 49 total cpu time spent up to now is 5.0 secs Computing kpt #: 50 total cpu time spent up to now is 5.1 secs Computing kpt #: 51 total cpu time spent up to now is 5.2 secs Computing kpt #: 52 total cpu time spent up to now is 5.3 secs Computing kpt #: 53 total cpu time spent up to now is 5.4 secs Computing kpt #: 54 total cpu time spent up to now is 5.4 secs Computing kpt #: 55 total cpu time spent up to now is 5.5 secs Computing kpt #: 56 total cpu time spent up to now is 5.6 secs Computing kpt #: 57 total cpu time spent up to now is 5.7 secs Computing kpt #: 58 total cpu time spent up to now is 5.8 secs Computing kpt #: 59 total cpu time spent up to now is 5.9 secs Computing kpt #: 60 total cpu time spent up to now is 5.9 secs Computing kpt #: 61 total cpu time spent up to now is 6.0 secs Computing kpt #: 62 total cpu time spent up to now is 6.1 secs Computing kpt #: 63 total cpu time spent up to now is 6.2 secs Computing kpt #: 64 total cpu time spent up to now is 6.3 secs Computing kpt #: 65 total cpu time spent up to now is 6.3 secs Computing kpt #: 66 total cpu time spent up to now is 6.4 secs Computing kpt #: 67 total cpu time spent up to now is 6.5 secs Computing kpt #: 68 total cpu time spent up to now is 6.5 secs Computing kpt #: 69 total cpu time spent up to now is 6.6 secs Computing kpt #: 70 total cpu time spent up to now is 6.7 secs Computing kpt #: 71 total cpu time spent up to now is 6.8 secs Computing kpt #: 72 total cpu time spent up to now is 6.8 secs Computing kpt #: 73 total cpu time spent up to now is 6.9 secs Computing kpt #: 74 total cpu time spent up to now is 6.9 secs Computing kpt #: 75 total cpu time spent up to now is 7.0 secs Computing kpt #: 76 total cpu time spent up to now is 7.1 secs Computing kpt #: 77 total cpu time spent up to now is 7.1 secs Computing kpt #: 78 total cpu time spent up to now is 7.2 secs Computing kpt #: 79 total cpu time spent up to now is 7.3 secs Computing kpt #: 80 total cpu time spent up to now is 7.3 secs Computing kpt #: 81 total cpu time spent up to now is 7.4 secs Computing kpt #: 82 total cpu time spent up to now is 7.5 secs Computing kpt #: 83 total cpu time spent up to now is 7.5 secs Computing kpt #: 84 total cpu time spent up to now is 7.6 secs Computing kpt #: 85 total cpu time spent up to now is 7.6 secs Computing kpt #: 86 total cpu time spent up to now is 7.7 secs Computing kpt #: 87 total cpu time spent up to now is 7.7 secs Computing kpt #: 88 total cpu time spent up to now is 7.8 secs Computing kpt #: 89 total cpu time spent up to now is 7.9 secs Computing kpt #: 90 total cpu time spent up to now is 7.9 secs Computing kpt #: 91 total cpu time spent up to now is 8.0 secs Computing kpt #: 92 total cpu time spent up to now is 8.0 secs Computing kpt #: 93 total cpu time spent up to now is 8.1 secs Computing kpt #: 94 total cpu time spent up to now is 8.2 secs Computing kpt #: 95 total cpu time spent up to now is 8.2 secs Computing kpt #: 96 total cpu time spent up to now is 8.3 secs Computing kpt #: 97 total cpu time spent up to now is 8.3 secs Computing kpt #: 98 total cpu time spent up to now is 8.4 secs Computing kpt #: 99 total cpu time spent up to now is 8.5 secs Computing kpt #: 100 total cpu time spent up to now is 8.5 secs Computing kpt #: 101 total cpu time spent up to now is 8.6 secs Computing kpt #: 102 total cpu time spent up to now is 8.7 secs Computing kpt #: 103 total cpu time spent up to now is 8.7 secs Computing kpt #: 104 total cpu time spent up to now is 8.8 secs Computing kpt #: 105 total cpu time spent up to now is 8.9 secs Computing kpt #: 106 total cpu time spent up to now is 8.9 secs Computing kpt #: 107 total cpu time spent up to now is 9.0 secs Computing kpt #: 108 total cpu time spent up to now is 9.0 secs Computing kpt #: 109 total cpu time spent up to now is 9.1 secs Computing kpt #: 110 total cpu time spent up to now is 9.2 secs Computing kpt #: 111 total cpu time spent up to now is 9.2 secs Computing kpt #: 112 total cpu time spent up to now is 9.3 secs Computing kpt #: 113 total cpu time spent up to now is 9.4 secs Computing kpt #: 114 total cpu time spent up to now is 9.4 secs Computing kpt #: 115 total cpu time spent up to now is 9.5 secs Computing kpt #: 116 total cpu time spent up to now is 9.6 secs Computing kpt #: 117 total cpu time spent up to now is 9.7 secs Computing kpt #: 118 total cpu time spent up to now is 9.7 secs Computing kpt #: 119 total cpu time spent up to now is 9.8 secs Computing kpt #: 120 total cpu time spent up to now is 9.9 secs Computing kpt #: 121 total cpu time spent up to now is 10.0 secs Computing kpt #: 122 total cpu time spent up to now is 10.1 secs Computing kpt #: 123 total cpu time spent up to now is 10.1 secs Computing kpt #: 124 total cpu time spent up to now is 10.2 secs Computing kpt #: 125 total cpu time spent up to now is 10.3 secs Computing kpt #: 126 total cpu time spent up to now is 10.4 secs Computing kpt #: 127 total cpu time spent up to now is 10.4 secs Computing kpt #: 128 total cpu time spent up to now is 10.5 secs Computing kpt #: 129 total cpu time spent up to now is 10.6 secs Computing kpt #: 130 total cpu time spent up to now is 10.6 secs Computing kpt #: 131 total cpu time spent up to now is 10.7 secs Computing kpt #: 132 total cpu time spent up to now is 10.7 secs Computing kpt #: 133 total cpu time spent up to now is 10.8 secs Computing kpt #: 134 total cpu time spent up to now is 10.9 secs Computing kpt #: 135 total cpu time spent up to now is 10.9 secs Computing kpt #: 136 total cpu time spent up to now is 11.0 secs Computing kpt #: 137 total cpu time spent up to now is 11.1 secs Computing kpt #: 138 total cpu time spent up to now is 11.1 secs Computing kpt #: 139 total cpu time spent up to now is 11.2 secs Computing kpt #: 140 total cpu time spent up to now is 11.3 secs Computing kpt #: 141 total cpu time spent up to now is 11.3 secs Computing kpt #: 142 total cpu time spent up to now is 11.4 secs Computing kpt #: 143 total cpu time spent up to now is 11.5 secs Computing kpt #: 144 total cpu time spent up to now is 11.5 secs Computing kpt #: 145 total cpu time spent up to now is 11.6 secs Computing kpt #: 146 total cpu time spent up to now is 11.7 secs Computing kpt #: 147 total cpu time spent up to now is 11.8 secs Computing kpt #: 148 total cpu time spent up to now is 11.8 secs Computing kpt #: 149 total cpu time spent up to now is 12.0 secs Computing kpt #: 150 total cpu time spent up to now is 12.0 secs Computing kpt #: 151 total cpu time spent up to now is 12.1 secs Computing kpt #: 152 total cpu time spent up to now is 12.2 secs Computing kpt #: 153 total cpu time spent up to now is 12.3 secs Computing kpt #: 154 total cpu time spent up to now is 12.3 secs Computing kpt #: 155 total cpu time spent up to now is 12.4 secs Computing kpt #: 156 total cpu time spent up to now is 12.5 secs Computing kpt #: 157 total cpu time spent up to now is 12.5 secs Computing kpt #: 158 total cpu time spent up to now is 12.6 secs Computing kpt #: 159 total cpu time spent up to now is 12.7 secs Computing kpt #: 160 total cpu time spent up to now is 12.7 secs Computing kpt #: 161 total cpu time spent up to now is 12.8 secs Computing kpt #: 162 total cpu time spent up to now is 12.8 secs Computing kpt #: 163 total cpu time spent up to now is 12.9 secs Computing kpt #: 164 total cpu time spent up to now is 13.0 secs Computing kpt #: 165 total cpu time spent up to now is 13.0 secs Computing kpt #: 166 total cpu time spent up to now is 13.1 secs Computing kpt #: 167 total cpu time spent up to now is 13.2 secs Computing kpt #: 168 total cpu time spent up to now is 13.2 secs Computing kpt #: 169 total cpu time spent up to now is 13.3 secs Computing kpt #: 170 total cpu time spent up to now is 13.4 secs Computing kpt #: 171 total cpu time spent up to now is 13.4 secs Computing kpt #: 172 total cpu time spent up to now is 13.5 secs Computing kpt #: 173 total cpu time spent up to now is 13.5 secs Computing kpt #: 174 total cpu time spent up to now is 13.6 secs Computing kpt #: 175 total cpu time spent up to now is 13.7 secs Computing kpt #: 176 total cpu time spent up to now is 13.7 secs Computing kpt #: 177 total cpu time spent up to now is 13.8 secs Computing kpt #: 178 total cpu time spent up to now is 13.8 secs Computing kpt #: 179 total cpu time spent up to now is 13.9 secs Computing kpt #: 180 total cpu time spent up to now is 14.0 secs Computing kpt #: 181 total cpu time spent up to now is 14.0 secs Computing kpt #: 182 total cpu time spent up to now is 14.1 secs Computing kpt #: 183 total cpu time spent up to now is 14.2 secs Computing kpt #: 184 total cpu time spent up to now is 14.2 secs Computing kpt #: 185 total cpu time spent up to now is 14.3 secs Computing kpt #: 186 total cpu time spent up to now is 14.3 secs Computing kpt #: 187 total cpu time spent up to now is 14.4 secs Computing kpt #: 188 total cpu time spent up to now is 14.5 secs Computing kpt #: 189 total cpu time spent up to now is 14.5 secs Computing kpt #: 190 total cpu time spent up to now is 14.6 secs Computing kpt #: 191 total cpu time spent up to now is 14.7 secs Computing kpt #: 192 total cpu time spent up to now is 14.8 secs Computing kpt #: 193 total cpu time spent up to now is 14.8 secs Computing kpt #: 194 total cpu time spent up to now is 14.9 secs Computing kpt #: 195 total cpu time spent up to now is 15.0 secs Computing kpt #: 196 total cpu time spent up to now is 15.0 secs Computing kpt #: 197 total cpu time spent up to now is 15.1 secs Computing kpt #: 198 total cpu time spent up to now is 15.2 secs Computing kpt #: 199 total cpu time spent up to now is 15.3 secs Computing kpt #: 200 total cpu time spent up to now is 15.3 secs Computing kpt #: 201 total cpu time spent up to now is 15.4 secs Computing kpt #: 202 total cpu time spent up to now is 15.5 secs Computing kpt #: 203 total cpu time spent up to now is 15.6 secs Computing kpt #: 204 total cpu time spent up to now is 15.7 secs Computing kpt #: 205 total cpu time spent up to now is 15.7 secs Computing kpt #: 206 total cpu time spent up to now is 15.8 secs Computing kpt #: 207 total cpu time spent up to now is 15.9 secs Computing kpt #: 208 total cpu time spent up to now is 16.0 secs Computing kpt #: 209 total cpu time spent up to now is 16.0 secs Computing kpt #: 210 total cpu time spent up to now is 16.1 secs Computing kpt #: 211 total cpu time spent up to now is 16.2 secs Computing kpt #: 212 total cpu time spent up to now is 16.2 secs Computing kpt #: 213 total cpu time spent up to now is 16.3 secs Computing kpt #: 214 total cpu time spent up to now is 16.4 secs Computing kpt #: 215 total cpu time spent up to now is 16.5 secs Computing kpt #: 216 total cpu time spent up to now is 16.5 secs Computing kpt #: 217 total cpu time spent up to now is 16.6 secs Computing kpt #: 218 total cpu time spent up to now is 16.7 secs Computing kpt #: 219 total cpu time spent up to now is 16.8 secs Computing kpt #: 220 total cpu time spent up to now is 16.8 secs Computing kpt #: 221 total cpu time spent up to now is 16.9 secs Computing kpt #: 222 total cpu time spent up to now is 17.0 secs Computing kpt #: 223 total cpu time spent up to now is 17.1 secs Computing kpt #: 224 total cpu time spent up to now is 17.1 secs Computing kpt #: 225 total cpu time spent up to now is 17.2 secs Computing kpt #: 226 total cpu time spent up to now is 17.3 secs Computing kpt #: 227 total cpu time spent up to now is 17.4 secs Computing kpt #: 228 total cpu time spent up to now is 17.4 secs Computing kpt #: 229 total cpu time spent up to now is 17.5 secs Computing kpt #: 230 total cpu time spent up to now is 17.6 secs Computing kpt #: 231 total cpu time spent up to now is 17.6 secs Computing kpt #: 232 total cpu time spent up to now is 17.7 secs Computing kpt #: 233 total cpu time spent up to now is 17.8 secs Computing kpt #: 234 total cpu time spent up to now is 17.9 secs Computing kpt #: 235 total cpu time spent up to now is 17.9 secs Computing kpt #: 236 total cpu time spent up to now is 18.0 secs Computing kpt #: 237 total cpu time spent up to now is 18.1 secs Computing kpt #: 238 total cpu time spent up to now is 18.1 secs Computing kpt #: 239 total cpu time spent up to now is 18.2 secs Computing kpt #: 240 total cpu time spent up to now is 18.3 secs Computing kpt #: 241 total cpu time spent up to now is 18.4 secs Computing kpt #: 242 total cpu time spent up to now is 18.4 secs Computing kpt #: 243 total cpu time spent up to now is 18.5 secs Computing kpt #: 244 total cpu time spent up to now is 18.5 secs Computing kpt #: 245 total cpu time spent up to now is 18.6 secs Computing kpt #: 246 total cpu time spent up to now is 18.7 secs Computing kpt #: 247 total cpu time spent up to now is 18.7 secs Computing kpt #: 248 total cpu time spent up to now is 18.8 secs Computing kpt #: 249 total cpu time spent up to now is 18.9 secs Computing kpt #: 250 total cpu time spent up to now is 18.9 secs Computing kpt #: 251 total cpu time spent up to now is 19.0 secs Computing kpt #: 252 total cpu time spent up to now is 19.1 secs Computing kpt #: 253 total cpu time spent up to now is 19.1 secs Computing kpt #: 254 total cpu time spent up to now is 19.2 secs Computing kpt #: 255 total cpu time spent up to now is 19.3 secs Computing kpt #: 256 total cpu time spent up to now is 19.3 secs Computing kpt #: 257 total cpu time spent up to now is 19.4 secs Computing kpt #: 258 total cpu time spent up to now is 19.5 secs Computing kpt #: 259 total cpu time spent up to now is 19.5 secs Computing kpt #: 260 total cpu time spent up to now is 19.6 secs Computing kpt #: 261 total cpu time spent up to now is 19.7 secs Computing kpt #: 262 total cpu time spent up to now is 19.7 secs Computing kpt #: 263 total cpu time spent up to now is 19.8 secs Computing kpt #: 264 total cpu time spent up to now is 19.9 secs Computing kpt #: 265 total cpu time spent up to now is 19.9 secs Computing kpt #: 266 total cpu time spent up to now is 20.0 secs Computing kpt #: 267 total cpu time spent up to now is 20.0 secs Computing kpt #: 268 total cpu time spent up to now is 20.1 secs Computing kpt #: 269 total cpu time spent up to now is 20.2 secs Computing kpt #: 270 total cpu time spent up to now is 20.3 secs Computing kpt #: 271 total cpu time spent up to now is 20.3 secs Computing kpt #: 272 total cpu time spent up to now is 20.4 secs Computing kpt #: 273 total cpu time spent up to now is 20.5 secs Computing kpt #: 274 total cpu time spent up to now is 20.5 secs Computing kpt #: 275 total cpu time spent up to now is 20.6 secs Computing kpt #: 276 total cpu time spent up to now is 20.7 secs Computing kpt #: 277 total cpu time spent up to now is 20.7 secs Computing kpt #: 278 total cpu time spent up to now is 20.8 secs Computing kpt #: 279 total cpu time spent up to now is 20.9 secs Computing kpt #: 280 total cpu time spent up to now is 20.9 secs Computing kpt #: 281 total cpu time spent up to now is 21.0 secs Computing kpt #: 282 total cpu time spent up to now is 21.1 secs Computing kpt #: 283 total cpu time spent up to now is 21.1 secs Computing kpt #: 284 total cpu time spent up to now is 21.2 secs Computing kpt #: 285 total cpu time spent up to now is 21.2 secs Computing kpt #: 286 total cpu time spent up to now is 21.3 secs Computing kpt #: 287 total cpu time spent up to now is 21.4 secs Computing kpt #: 288 total cpu time spent up to now is 21.4 secs Computing kpt #: 289 total cpu time spent up to now is 21.5 secs Computing kpt #: 290 total cpu time spent up to now is 21.5 secs Computing kpt #: 291 total cpu time spent up to now is 21.6 secs Computing kpt #: 292 total cpu time spent up to now is 21.7 secs Computing kpt #: 293 total cpu time spent up to now is 21.7 secs Computing kpt #: 294 total cpu time spent up to now is 21.8 secs Computing kpt #: 295 total cpu time spent up to now is 21.8 secs Computing kpt #: 296 total cpu time spent up to now is 21.9 secs Computing kpt #: 297 total cpu time spent up to now is 21.9 secs Computing kpt #: 298 total cpu time spent up to now is 22.0 secs Computing kpt #: 299 total cpu time spent up to now is 22.0 secs Computing kpt #: 300 total cpu time spent up to now is 22.1 secs Computing kpt #: 301 total cpu time spent up to now is 22.2 secs Computing kpt #: 302 total cpu time spent up to now is 22.2 secs Computing kpt #: 303 total cpu time spent up to now is 22.3 secs Computing kpt #: 304 total cpu time spent up to now is 22.3 secs Computing kpt #: 305 total cpu time spent up to now is 22.4 secs Computing kpt #: 306 total cpu time spent up to now is 22.4 secs Computing kpt #: 307 total cpu time spent up to now is 22.5 secs Computing kpt #: 308 total cpu time spent up to now is 22.5 secs Computing kpt #: 309 total cpu time spent up to now is 22.6 secs Computing kpt #: 310 total cpu time spent up to now is 22.6 secs Computing kpt #: 311 total cpu time spent up to now is 22.7 secs Computing kpt #: 312 total cpu time spent up to now is 22.7 secs Computing kpt #: 313 total cpu time spent up to now is 22.8 secs Computing kpt #: 314 total cpu time spent up to now is 22.8 secs Computing kpt #: 315 total cpu time spent up to now is 22.9 secs Computing kpt #: 316 total cpu time spent up to now is 22.9 secs Computing kpt #: 317 total cpu time spent up to now is 23.0 secs Computing kpt #: 318 total cpu time spent up to now is 23.0 secs Computing kpt #: 319 total cpu time spent up to now is 23.1 secs Computing kpt #: 320 total cpu time spent up to now is 23.1 secs Computing kpt #: 321 total cpu time spent up to now is 23.2 secs Computing kpt #: 322 total cpu time spent up to now is 23.2 secs Computing kpt #: 323 total cpu time spent up to now is 23.3 secs Computing kpt #: 324 total cpu time spent up to now is 23.3 secs Computing kpt #: 325 total cpu time spent up to now is 23.4 secs Computing kpt #: 326 total cpu time spent up to now is 23.4 secs Computing kpt #: 327 total cpu time spent up to now is 23.5 secs Computing kpt #: 328 total cpu time spent up to now is 23.5 secs Computing kpt #: 329 total cpu time spent up to now is 23.6 secs Computing kpt #: 330 total cpu time spent up to now is 23.7 secs Computing kpt #: 331 total cpu time spent up to now is 23.7 secs Computing kpt #: 332 total cpu time spent up to now is 23.8 secs Computing kpt #: 333 total cpu time spent up to now is 23.8 secs Computing kpt #: 334 total cpu time spent up to now is 23.9 secs Computing kpt #: 335 total cpu time spent up to now is 23.9 secs Computing kpt #: 336 total cpu time spent up to now is 24.0 secs Computing kpt #: 337 total cpu time spent up to now is 24.0 secs Computing kpt #: 338 total cpu time spent up to now is 24.1 secs Computing kpt #: 339 total cpu time spent up to now is 24.1 secs Computing kpt #: 340 total cpu time spent up to now is 24.2 secs Computing kpt #: 341 total cpu time spent up to now is 24.4 secs Computing kpt #: 342 total cpu time spent up to now is 24.5 secs Computing kpt #: 343 total cpu time spent up to now is 24.5 secs Computing kpt #: 344 total cpu time spent up to now is 24.6 secs Computing kpt #: 345 total cpu time spent up to now is 24.6 secs Computing kpt #: 346 total cpu time spent up to now is 24.7 secs Computing kpt #: 347 total cpu time spent up to now is 24.7 secs Computing kpt #: 348 total cpu time spent up to now is 24.8 secs Computing kpt #: 349 total cpu time spent up to now is 24.8 secs Computing kpt #: 350 total cpu time spent up to now is 24.9 secs Computing kpt #: 351 total cpu time spent up to now is 24.9 secs Computing kpt #: 352 total cpu time spent up to now is 25.0 secs Computing kpt #: 353 total cpu time spent up to now is 25.0 secs Computing kpt #: 354 total cpu time spent up to now is 25.1 secs Computing kpt #: 355 total cpu time spent up to now is 25.1 secs Computing kpt #: 356 total cpu time spent up to now is 25.2 secs Computing kpt #: 357 total cpu time spent up to now is 25.2 secs Computing kpt #: 358 total cpu time spent up to now is 25.3 secs Computing kpt #: 359 total cpu time spent up to now is 25.3 secs Computing kpt #: 360 total cpu time spent up to now is 25.4 secs Computing kpt #: 361 total cpu time spent up to now is 25.4 secs Computing kpt #: 362 total cpu time spent up to now is 25.5 secs Computing kpt #: 363 total cpu time spent up to now is 25.6 secs Computing kpt #: 364 total cpu time spent up to now is 25.6 secs Computing kpt #: 365 total cpu time spent up to now is 25.7 secs Computing kpt #: 366 total cpu time spent up to now is 25.7 secs Computing kpt #: 367 total cpu time spent up to now is 25.8 secs Computing kpt #: 368 total cpu time spent up to now is 25.8 secs Computing kpt #: 369 total cpu time spent up to now is 25.9 secs Computing kpt #: 370 total cpu time spent up to now is 26.0 secs Computing kpt #: 371 total cpu time spent up to now is 26.0 secs Computing kpt #: 372 total cpu time spent up to now is 26.1 secs Computing kpt #: 373 total cpu time spent up to now is 26.2 secs Computing kpt #: 374 total cpu time spent up to now is 26.2 secs Computing kpt #: 375 total cpu time spent up to now is 26.3 secs Computing kpt #: 376 total cpu time spent up to now is 26.3 secs Computing kpt #: 377 total cpu time spent up to now is 26.4 secs Computing kpt #: 378 total cpu time spent up to now is 26.5 secs Computing kpt #: 379 total cpu time spent up to now is 26.5 secs Computing kpt #: 380 total cpu time spent up to now is 26.6 secs Computing kpt #: 381 total cpu time spent up to now is 26.7 secs Computing kpt #: 382 total cpu time spent up to now is 26.7 secs Computing kpt #: 383 total cpu time spent up to now is 26.8 secs Computing kpt #: 384 total cpu time spent up to now is 26.8 secs Computing kpt #: 385 total cpu time spent up to now is 26.9 secs Computing kpt #: 386 total cpu time spent up to now is 27.0 secs Computing kpt #: 387 total cpu time spent up to now is 27.0 secs Computing kpt #: 388 total cpu time spent up to now is 27.1 secs Computing kpt #: 389 total cpu time spent up to now is 27.2 secs Computing kpt #: 390 total cpu time spent up to now is 27.2 secs Computing kpt #: 391 total cpu time spent up to now is 27.3 secs Computing kpt #: 392 total cpu time spent up to now is 27.4 secs Computing kpt #: 393 total cpu time spent up to now is 27.4 secs Computing kpt #: 394 total cpu time spent up to now is 27.5 secs Computing kpt #: 395 total cpu time spent up to now is 27.6 secs Computing kpt #: 396 total cpu time spent up to now is 27.6 secs Computing kpt #: 397 total cpu time spent up to now is 27.7 secs Computing kpt #: 398 total cpu time spent up to now is 27.8 secs Computing kpt #: 399 total cpu time spent up to now is 27.8 secs Computing kpt #: 400 total cpu time spent up to now is 27.9 secs Computing kpt #: 401 total cpu time spent up to now is 28.0 secs Computing kpt #: 402 total cpu time spent up to now is 28.0 secs Computing kpt #: 403 total cpu time spent up to now is 28.1 secs Computing kpt #: 404 total cpu time spent up to now is 28.2 secs Computing kpt #: 405 total cpu time spent up to now is 28.2 secs Computing kpt #: 406 total cpu time spent up to now is 28.3 secs Computing kpt #: 407 total cpu time spent up to now is 28.4 secs Computing kpt #: 408 total cpu time spent up to now is 28.5 secs Computing kpt #: 409 total cpu time spent up to now is 28.5 secs Computing kpt #: 410 total cpu time spent up to now is 28.6 secs Computing kpt #: 411 total cpu time spent up to now is 28.7 secs Computing kpt #: 412 total cpu time spent up to now is 28.7 secs Computing kpt #: 413 total cpu time spent up to now is 28.8 secs Computing kpt #: 414 total cpu time spent up to now is 28.9 secs Computing kpt #: 415 total cpu time spent up to now is 28.9 secs Computing kpt #: 416 total cpu time spent up to now is 29.0 secs Computing kpt #: 417 total cpu time spent up to now is 29.0 secs Computing kpt #: 418 total cpu time spent up to now is 29.1 secs Computing kpt #: 419 total cpu time spent up to now is 29.2 secs Computing kpt #: 420 total cpu time spent up to now is 29.2 secs Computing kpt #: 421 total cpu time spent up to now is 29.3 secs Computing kpt #: 422 total cpu time spent up to now is 29.3 secs Computing kpt #: 423 total cpu time spent up to now is 29.4 secs Computing kpt #: 424 total cpu time spent up to now is 29.4 secs Computing kpt #: 425 total cpu time spent up to now is 29.5 secs Computing kpt #: 426 total cpu time spent up to now is 29.5 secs Computing kpt #: 427 total cpu time spent up to now is 29.6 secs Computing kpt #: 428 total cpu time spent up to now is 29.7 secs Computing kpt #: 429 total cpu time spent up to now is 29.7 secs Computing kpt #: 430 total cpu time spent up to now is 29.8 secs Computing kpt #: 431 total cpu time spent up to now is 29.8 secs Computing kpt #: 432 total cpu time spent up to now is 29.9 secs Computing kpt #: 433 total cpu time spent up to now is 29.9 secs Computing kpt #: 434 total cpu time spent up to now is 30.0 secs Computing kpt #: 435 total cpu time spent up to now is 30.0 secs Computing kpt #: 436 total cpu time spent up to now is 30.1 secs Computing kpt #: 437 total cpu time spent up to now is 30.2 secs Computing kpt #: 438 total cpu time spent up to now is 30.2 secs Computing kpt #: 439 total cpu time spent up to now is 30.3 secs Computing kpt #: 440 total cpu time spent up to now is 30.3 secs Computing kpt #: 441 total cpu time spent up to now is 30.4 secs Computing kpt #: 442 total cpu time spent up to now is 30.4 secs Computing kpt #: 443 total cpu time spent up to now is 30.5 secs Computing kpt #: 444 total cpu time spent up to now is 30.5 secs Computing kpt #: 445 total cpu time spent up to now is 30.6 secs Computing kpt #: 446 total cpu time spent up to now is 30.6 secs Computing kpt #: 447 total cpu time spent up to now is 30.7 secs Computing kpt #: 448 total cpu time spent up to now is 30.7 secs Computing kpt #: 449 total cpu time spent up to now is 30.8 secs Computing kpt #: 450 total cpu time spent up to now is 30.8 secs Computing kpt #: 451 total cpu time spent up to now is 30.9 secs Computing kpt #: 452 total cpu time spent up to now is 30.9 secs Computing kpt #: 453 total cpu time spent up to now is 31.0 secs Computing kpt #: 454 total cpu time spent up to now is 31.0 secs Computing kpt #: 455 total cpu time spent up to now is 31.1 secs Computing kpt #: 456 total cpu time spent up to now is 31.1 secs Computing kpt #: 457 total cpu time spent up to now is 31.2 secs Computing kpt #: 458 total cpu time spent up to now is 31.2 secs Computing kpt #: 459 total cpu time spent up to now is 31.3 secs Computing kpt #: 460 total cpu time spent up to now is 31.3 secs Computing kpt #: 461 total cpu time spent up to now is 31.4 secs Computing kpt #: 462 total cpu time spent up to now is 31.4 secs Computing kpt #: 463 total cpu time spent up to now is 31.5 secs Computing kpt #: 464 total cpu time spent up to now is 31.5 secs Computing kpt #: 465 total cpu time spent up to now is 31.6 secs Computing kpt #: 466 total cpu time spent up to now is 31.6 secs Computing kpt #: 467 total cpu time spent up to now is 31.6 secs Computing kpt #: 468 total cpu time spent up to now is 31.7 secs Computing kpt #: 469 total cpu time spent up to now is 31.7 secs Computing kpt #: 470 total cpu time spent up to now is 31.8 secs Computing kpt #: 471 total cpu time spent up to now is 31.8 secs Computing kpt #: 472 total cpu time spent up to now is 31.9 secs Computing kpt #: 473 total cpu time spent up to now is 31.9 secs Computing kpt #: 474 total cpu time spent up to now is 32.0 secs Computing kpt #: 475 total cpu time spent up to now is 32.0 secs Computing kpt #: 476 total cpu time spent up to now is 32.1 secs Computing kpt #: 477 total cpu time spent up to now is 32.1 secs Computing kpt #: 478 total cpu time spent up to now is 32.2 secs Computing kpt #: 479 total cpu time spent up to now is 32.2 secs Computing kpt #: 480 total cpu time spent up to now is 32.3 secs Computing kpt #: 481 total cpu time spent up to now is 32.3 secs Computing kpt #: 482 total cpu time spent up to now is 32.4 secs Computing kpt #: 483 total cpu time spent up to now is 32.4 secs Computing kpt #: 484 total cpu time spent up to now is 32.5 secs Computing kpt #: 485 total cpu time spent up to now is 32.5 secs Computing kpt #: 486 total cpu time spent up to now is 32.6 secs Computing kpt #: 487 total cpu time spent up to now is 32.6 secs Computing kpt #: 488 total cpu time spent up to now is 32.7 secs Computing kpt #: 489 total cpu time spent up to now is 32.7 secs Computing kpt #: 490 total cpu time spent up to now is 32.8 secs Computing kpt #: 491 total cpu time spent up to now is 32.8 secs Computing kpt #: 492 total cpu time spent up to now is 32.8 secs Computing kpt #: 493 total cpu time spent up to now is 32.9 secs Computing kpt #: 494 total cpu time spent up to now is 32.9 secs Computing kpt #: 495 total cpu time spent up to now is 33.0 secs Computing kpt #: 496 total cpu time spent up to now is 33.0 secs Computing kpt #: 497 total cpu time spent up to now is 33.1 secs Computing kpt #: 498 total cpu time spent up to now is 33.1 secs Computing kpt #: 499 total cpu time spent up to now is 33.2 secs Computing kpt #: 500 total cpu time spent up to now is 33.3 secs Computing kpt #: 501 total cpu time spent up to now is 33.3 secs Computing kpt #: 502 total cpu time spent up to now is 33.4 secs Computing kpt #: 503 total cpu time spent up to now is 33.4 secs Computing kpt #: 504 total cpu time spent up to now is 33.5 secs Computing kpt #: 505 total cpu time spent up to now is 33.5 secs Computing kpt #: 506 total cpu time spent up to now is 33.6 secs Computing kpt #: 507 total cpu time spent up to now is 33.6 secs Computing kpt #: 508 total cpu time spent up to now is 33.7 secs Computing kpt #: 509 total cpu time spent up to now is 33.7 secs Computing kpt #: 510 total cpu time spent up to now is 33.8 secs Computing kpt #: 511 total cpu time spent up to now is 33.8 secs Computing kpt #: 512 total cpu time spent up to now is 33.9 secs Computing kpt #: 513 total cpu time spent up to now is 33.9 secs Computing kpt #: 514 total cpu time spent up to now is 34.0 secs Computing kpt #: 515 total cpu time spent up to now is 34.1 secs Computing kpt #: 516 total cpu time spent up to now is 34.1 secs Computing kpt #: 517 total cpu time spent up to now is 34.2 secs Computing kpt #: 518 total cpu time spent up to now is 34.2 secs Computing kpt #: 519 total cpu time spent up to now is 34.3 secs Computing kpt #: 520 total cpu time spent up to now is 34.3 secs Computing kpt #: 521 total cpu time spent up to now is 34.4 secs Computing kpt #: 522 total cpu time spent up to now is 34.5 secs Computing kpt #: 523 total cpu time spent up to now is 34.5 secs Computing kpt #: 524 total cpu time spent up to now is 34.6 secs Computing kpt #: 525 total cpu time spent up to now is 34.6 secs Computing kpt #: 526 total cpu time spent up to now is 34.7 secs Computing kpt #: 527 total cpu time spent up to now is 34.8 secs Computing kpt #: 528 total cpu time spent up to now is 34.8 secs Computing kpt #: 529 total cpu time spent up to now is 34.9 secs Computing kpt #: 530 total cpu time spent up to now is 34.9 secs Computing kpt #: 531 total cpu time spent up to now is 35.0 secs Computing kpt #: 532 total cpu time spent up to now is 35.1 secs Computing kpt #: 533 total cpu time spent up to now is 35.2 secs Computing kpt #: 534 total cpu time spent up to now is 35.2 secs Computing kpt #: 535 total cpu time spent up to now is 35.3 secs Computing kpt #: 536 total cpu time spent up to now is 35.4 secs Computing kpt #: 537 total cpu time spent up to now is 35.4 secs Computing kpt #: 538 total cpu time spent up to now is 35.5 secs Computing kpt #: 539 total cpu time spent up to now is 35.5 secs Computing kpt #: 540 total cpu time spent up to now is 35.6 secs Computing kpt #: 541 total cpu time spent up to now is 35.7 secs Computing kpt #: 542 total cpu time spent up to now is 35.8 secs Computing kpt #: 543 total cpu time spent up to now is 35.8 secs Computing kpt #: 544 total cpu time spent up to now is 35.9 secs Computing kpt #: 545 total cpu time spent up to now is 36.0 secs Computing kpt #: 546 total cpu time spent up to now is 36.0 secs Computing kpt #: 547 total cpu time spent up to now is 36.1 secs Computing kpt #: 548 total cpu time spent up to now is 36.2 secs Computing kpt #: 549 total cpu time spent up to now is 36.2 secs Computing kpt #: 550 total cpu time spent up to now is 36.3 secs Computing kpt #: 551 total cpu time spent up to now is 36.4 secs Computing kpt #: 552 total cpu time spent up to now is 36.4 secs Computing kpt #: 553 total cpu time spent up to now is 36.5 secs Computing kpt #: 554 total cpu time spent up to now is 36.6 secs Computing kpt #: 555 total cpu time spent up to now is 36.6 secs Computing kpt #: 556 total cpu time spent up to now is 36.7 secs Computing kpt #: 557 total cpu time spent up to now is 36.7 secs Computing kpt #: 558 total cpu time spent up to now is 36.8 secs Computing kpt #: 559 total cpu time spent up to now is 36.9 secs Computing kpt #: 560 total cpu time spent up to now is 36.9 secs Computing kpt #: 561 total cpu time spent up to now is 37.0 secs Computing kpt #: 562 total cpu time spent up to now is 37.0 secs Computing kpt #: 563 total cpu time spent up to now is 37.1 secs Computing kpt #: 564 total cpu time spent up to now is 37.2 secs ethr = 7.14E-08, avg # of iterations = 11.1 total cpu time spent up to now is 37.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 965 PWs) bands (ev): -53.1276 -53.1276 -24.7479 -24.7479 -23.7476 -23.7476 -23.7476 -23.7476 10.6103 10.6103 17.5601 17.5601 17.5601 17.5601 17.6093 17.6093 19.2789 19.2789 19.2789 19.2789 37.3029 37.3029 k = 0.0058-0.0034 0.0047 ( 965 PWs) bands (ev): -53.1275 -53.1275 -24.7481 -24.7481 -23.7478 -23.7478 -23.7477 -23.7477 10.6120 10.6120 17.5596 17.5596 17.5608 17.5608 17.6095 17.6095 19.2778 19.2778 19.2792 19.2792 37.3037 37.3037 k = 0.0116-0.0067 0.0095 ( 965 PWs) bands (ev): -53.1273 -53.1273 -24.7485 -24.7485 -23.7485 -23.7485 -23.7480 -23.7480 10.6174 10.6174 17.5578 17.5578 17.5631 17.5631 17.6101 17.6101 19.2746 19.2746 19.2803 19.2803 37.3062 37.3062 k = 0.0174-0.0101 0.0142 ( 965 PWs) bands (ev): -53.1269 -53.1269 -24.7492 -24.7492 -23.7495 -23.7495 -23.7485 -23.7485 10.6263 10.6263 17.5544 17.5544 17.5670 17.5670 17.6117 17.6117 19.2694 19.2694 19.2822 19.2822 37.3103 37.3103 k = 0.0233-0.0134 0.0190 ( 965 PWs) bands (ev): -53.1264 -53.1264 -24.7502 -24.7502 -23.7510 -23.7510 -23.7491 -23.7491 10.6387 10.6387 17.5489 17.5489 17.5723 17.5723 17.6148 17.6148 19.2620 19.2620 19.2848 19.2848 37.3159 37.3159 k = 0.0291-0.0168 0.0237 ( 969 PWs) bands (ev): -53.1272 -53.1272 -24.7517 -24.7517 -23.7533 -23.7533 -23.7500 -23.7500 10.6543 10.6543 17.5401 17.5401 17.5759 17.5759 17.6167 17.6167 19.2429 19.2429 19.2881 19.2881 37.3232 37.3232 k = 0.0349-0.0201 0.0285 ( 969 PWs) bands (ev): -53.1265 -53.1265 -24.7532 -24.7532 -23.7556 -23.7556 -23.7511 -23.7511 10.6738 10.6738 17.5295 17.5295 17.5842 17.5842 17.6234 17.6234 19.2312 19.2312 19.2921 19.2921 37.3320 37.3320 k = 0.0407-0.0235 0.0332 ( 981 PWs) bands (ev): -53.1300 -53.1300 -24.7557 -24.7557 -23.7592 -23.7592 -23.7529 -23.7529 10.6958 10.6958 17.5123 17.5123 17.5776 17.5776 17.6163 17.6163 19.2146 19.2146 19.2905 19.2905 37.3422 37.3422 k = 0.0465-0.0269 0.0380 ( 981 PWs) bands (ev): -53.1290 -53.1290 -24.7578 -24.7578 -23.7623 -23.7623 -23.7543 -23.7543 10.7223 10.7223 17.4967 17.4967 17.5886 17.5886 17.6262 17.6262 19.1989 19.1989 19.2958 19.2958 37.3540 37.3540 k = 0.0523-0.0302 0.0427 ( 990 PWs) bands (ev): -53.1313 -53.1313 -24.7607 -24.7607 -23.7664 -23.7664 -23.7565 -23.7565 10.7515 10.7515 17.4676 17.4676 17.5926 17.5926 17.6295 17.6295 19.1760 19.1760 19.3002 19.3002 37.3664 37.3664 k = 0.0581-0.0336 0.0475 ( 990 PWs) bands (ev): -53.1300 -53.1300 -24.7633 -24.7633 -23.7702 -23.7702 -23.7582 -23.7582 10.7848 10.7848 17.4473 17.4473 17.6066 17.6066 17.6430 17.6430 19.1563 19.1563 19.3069 19.3069 37.3808 37.3808 k = 0.0640-0.0369 0.0522 ( 990 PWs) bands (ev): -53.1287 -53.1287 -24.7663 -24.7663 -23.7744 -23.7744 -23.7602 -23.7602 10.8217 10.8217 17.4258 17.4258 17.6217 17.6217 17.6577 17.6577 19.1357 19.1357 19.3125 19.3125 37.3966 37.3966 k = 0.0698-0.0403 0.0570 ( 990 PWs) bands (ev): -53.1272 -53.1272 -24.7694 -24.7694 -23.7790 -23.7790 -23.7623 -23.7623 10.8618 10.8618 17.4012 17.4012 17.6384 17.6384 17.6742 17.6742 19.1121 19.1121 19.3206 19.3206 37.4135 37.4135 k = 0.0756-0.0436 0.0617 ( 990 PWs) bands (ev): -53.1257 -53.1257 -24.7729 -24.7729 -23.7840 -23.7840 -23.7645 -23.7645 10.9053 10.9053 17.3746 17.3746 17.6566 17.6566 17.6923 17.6923 19.0868 19.0868 19.3294 19.3294 37.4315 37.4315 k = 0.0814-0.0470 0.0665 ( 990 PWs) bands (ev): -53.1240 -53.1240 -24.7765 -24.7765 -23.7893 -23.7893 -23.7670 -23.7670 10.9519 10.9519 17.3462 17.3462 17.6763 17.6763 17.7119 17.7119 19.0598 19.0598 19.3388 19.3388 37.4507 37.4507 k = 0.0872-0.0504 0.0712 ( 1002 PWs) bands (ev): -53.1267 -53.1267 -24.7812 -24.7812 -23.7955 -23.7955 -23.7706 -23.7706 11.0009 11.0009 17.3093 17.3093 17.6886 17.6886 17.7243 17.7243 19.0259 19.0259 19.3277 19.3277 37.4695 37.4695 k = 0.0930-0.0537 0.0760 ( 1002 PWs) bands (ev): -53.1247 -53.1247 -24.7854 -24.7854 -23.8015 -23.8015 -23.7733 -23.7733 11.0540 11.0540 17.2772 17.2772 17.7111 17.7111 17.7468 17.7468 18.9957 18.9957 19.3382 19.3382 37.4905 37.4905 k = 0.0988-0.0571 0.0807 ( 1002 PWs) bands (ev): -53.1227 -53.1227 -24.7898 -24.7898 -23.8078 -23.8078 -23.7762 -23.7762 11.1102 11.1102 17.2435 17.2435 17.7350 17.7350 17.7709 17.7709 18.9640 18.9640 19.3493 19.3493 37.5123 37.5123 k = 0.1047-0.0604 0.0854 ( 1002 PWs) bands (ev): -53.1206 -53.1206 -24.7945 -24.7945 -23.8144 -23.8144 -23.7793 -23.7793 11.1694 11.1694 17.2082 17.2082 17.7604 17.7604 17.7964 17.7964 18.9310 18.9310 19.3610 19.3610 37.5349 37.5349 k = 0.1105-0.0638 0.0902 ( 1002 PWs) bands (ev): -53.1183 -53.1183 -24.7994 -24.7994 -23.8213 -23.8213 -23.7825 -23.7825 11.2316 11.2316 17.1713 17.1713 17.7873 17.7873 17.8234 17.8234 18.8967 18.8967 19.3733 19.3733 37.5582 37.5582 k = 0.1163-0.0671 0.0949 ( 1002 PWs) bands (ev): -53.1159 -53.1159 -24.8045 -24.8045 -23.8284 -23.8284 -23.7858 -23.7858 11.2967 11.2967 17.1331 17.1331 17.8155 17.8155 17.8518 17.8518 18.8612 18.8612 19.3863 19.3863 37.5822 37.5822 k = 0.1221-0.0705 0.0997 ( 994 PWs) bands (ev): -53.1104 -53.1104 -24.8094 -24.8094 -23.8355 -23.8355 -23.7887 -23.7887 11.3653 11.3653 17.1021 17.1021 17.8519 17.8519 17.8884 17.8884 18.8265 18.8265 19.4065 19.4065 37.6106 37.6106 k = 0.1279-0.0738 0.1044 ( 994 PWs) bands (ev): -53.1079 -53.1079 -24.8150 -24.8150 -23.8432 -23.8432 -23.7923 -23.7923 11.4359 11.4359 17.0610 17.0610 17.8829 17.8829 17.9197 17.9197 18.7890 18.7890 19.4205 19.4205 37.6359 37.6359 k = 0.1337-0.0772 0.1092 ( 994 PWs) bands (ev): -53.1052 -53.1052 -24.8208 -24.8208 -23.8511 -23.8511 -23.7961 -23.7961 11.5091 11.5091 17.0188 17.0188 17.9152 17.9152 17.9523 17.9523 18.7508 18.7508 19.4351 19.4351 37.6617 37.6617 k = 0.1395-0.0806 0.1139 ( 994 PWs) bands (ev): -53.1024 -53.1024 -24.8268 -24.8268 -23.8592 -23.8592 -23.7999 -23.7999 11.5848 11.5848 16.9754 16.9754 17.9489 17.9489 17.9864 17.9864 18.7119 18.7119 19.4501 19.4501 37.6879 37.6879 k = 0.1453-0.0839 0.1187 ( 994 PWs) bands (ev): -53.0995 -53.0995 -24.8330 -24.8330 -23.8676 -23.8676 -23.8039 -23.8039 11.6630 11.6630 16.9310 16.9310 17.9839 17.9839 18.0218 18.0218 18.6725 18.6725 19.4657 19.4657 37.7144 37.7144 k = 0.1512-0.0873 0.1234 ( 994 PWs) bands (ev): -53.0966 -53.0966 -24.8393 -24.8393 -23.8762 -23.8762 -23.8080 -23.8080 11.7434 11.7434 16.8856 16.8856 18.0202 18.0202 18.0586 18.0586 18.6328 18.6328 19.4818 19.4818 37.7411 37.7411 k = 0.1570-0.0906 0.1282 ( 998 PWs) bands (ev): -53.0950 -53.0950 -24.8462 -24.8462 -23.8854 -23.8854 -23.8123 -23.8123 11.8254 11.8254 16.8394 16.8394 18.0566 18.0566 18.0958 18.0958 18.5785 18.5785 19.4984 19.4984 37.7680 37.7680 k = 0.1628-0.0940 0.1329 ( 998 PWs) bands (ev): -53.0919 -53.0919 -24.8529 -24.8529 -23.8943 -23.8943 -23.8166 -23.8166 11.9099 11.9099 16.7924 16.7924 18.0952 18.0952 18.1352 18.1352 18.5387 18.5387 19.5154 19.5154 37.7950 37.7950 k = 0.1686-0.0973 0.1377 ( 998 PWs) bands (ev): -53.0887 -53.0887 -24.8598 -24.8598 -23.9034 -23.9034 -23.8210 -23.8210 11.9962 11.9962 16.7446 16.7446 18.1348 18.1348 18.1759 18.1759 18.4994 18.4994 19.5328 19.5328 37.8221 37.8221 k = 0.1744-0.1007 0.1424 ( 998 PWs) bands (ev): -53.0855 -53.0855 -24.8669 -24.8669 -23.9126 -23.9126 -23.8255 -23.8255 12.0842 12.0842 16.6963 16.6963 18.1751 18.1751 18.2179 18.2179 18.4611 18.4611 19.5507 19.5507 37.8492 37.8492 k = 0.1802-0.1041 0.1472 ( 998 PWs) bands (ev): -53.0821 -53.0821 -24.8741 -24.8741 -23.9219 -23.9219 -23.8301 -23.8301 12.1737 12.1737 16.6473 16.6473 18.2155 18.2155 18.2611 18.2611 18.4245 18.4245 19.5690 19.5690 37.8762 37.8762 k = 0.1860-0.1074 0.1519 ( 998 PWs) bands (ev): -53.0787 -53.0787 -24.8814 -24.8814 -23.9314 -23.9314 -23.8347 -23.8347 12.2645 12.2645 16.5979 16.5979 18.2540 18.2540 18.3056 18.3056 18.3920 18.3920 19.5876 19.5876 37.9032 37.9032 k = 0.1919-0.1108 0.1567 ( 990 PWs) bands (ev): -53.0722 -53.0722 -24.8884 -24.8884 -23.9400 -23.9400 -23.8394 -23.8394 12.3590 12.3590 16.5482 16.5482 18.2918 18.2918 18.3556 18.3556 18.3868 18.3868 19.6068 19.6068 37.9301 37.9301 k = 0.1977-0.1141 0.1614 ( 998 PWs) bands (ev): -53.0717 -53.0717 -24.8965 -24.8965 -23.9504 -23.9504 -23.8445 -23.8445 12.4510 12.4510 16.4969 16.4969 18.2899 18.2899 18.3823 18.3823 18.3902 18.3902 19.6230 19.6230 37.9558 37.9558 k = 0.2035-0.1175 0.1661 ( 998 PWs) bands (ev): -53.0683 -53.0683 -24.9043 -24.9043 -23.9601 -23.9601 -23.8494 -23.8494 12.5444 12.5444 16.4465 16.4465 18.2700 18.2700 18.4146 18.4146 18.4378 18.4378 19.6426 19.6426 37.9822 37.9822 k = 0.2093-0.1208 0.1709 ( 998 PWs) bands (ev): -53.0648 -53.0648 -24.9121 -24.9121 -23.9698 -23.9698 -23.8543 -23.8543 12.6380 12.6380 16.3959 16.3959 18.2422 18.2422 18.4579 18.4579 18.4865 18.4865 19.6624 19.6624 37.8684 37.8684 k = 0.2151-0.1242 0.1756 ( 998 PWs) bands (ev): -53.0612 -53.0612 -24.9200 -24.9200 -23.9796 -23.9796 -23.8592 -23.8592 12.7316 12.7316 16.3453 16.3453 18.2141 18.2141 18.5050 18.5050 18.5362 18.5362 19.6825 19.6825 37.7253 37.7253 k = 0.2209-0.1276 0.1804 ( 998 PWs) bands (ev): -53.0576 -53.0576 -24.9280 -24.9280 -23.9894 -23.9894 -23.8642 -23.8642 12.8250 12.8250 16.2946 16.2946 18.1875 18.1875 18.5542 18.5542 18.5870 18.5870 19.7028 19.7028 37.5808 37.5808 k = 0.2267-0.1309 0.1851 ( 998 PWs) bands (ev): -53.0540 -53.0540 -24.9361 -24.9361 -23.9992 -23.9992 -23.8692 -23.8692 12.9177 12.9177 16.2439 16.2439 18.1636 18.1636 18.6049 18.6049 18.6388 18.6388 19.7233 19.7233 37.4348 37.4348 k = 0.2326-0.1343 0.1899 ( 998 PWs) bands (ev): -53.0503 -53.0503 -24.9443 -24.9443 -24.0090 -24.0090 -23.8743 -23.8743 13.0094 13.0094 16.1933 16.1933 18.1428 18.1428 18.6568 18.6568 18.6915 18.6915 19.7440 19.7440 37.2868 37.2868 k = 0.2384-0.1376 0.1946 ( 998 PWs) bands (ev): -53.0466 -53.0466 -24.9524 -24.9524 -24.0187 -24.0187 -23.8793 -23.8793 13.0998 13.0998 16.1429 16.1429 18.1257 18.1257 18.7098 18.7098 18.7452 18.7452 19.7649 19.7649 37.1367 37.1367 k = 0.2442-0.1410 0.1994 ( 998 PWs) bands (ev): -53.0429 -53.0429 -24.9607 -24.9607 -24.0285 -24.0285 -23.8844 -23.8844 13.1884 13.1884 16.0928 16.0928 18.1127 18.1127 18.7638 18.7638 18.7997 18.7997 19.7859 19.7859 36.9842 36.9842 k = 0.2500-0.1443 0.2041 ( 998 PWs) bands (ev): -53.0391 -53.0391 -24.9689 -24.9689 -24.0382 -24.0382 -23.8895 -23.8895 13.2749 13.2749 16.0429 16.0429 18.1043 18.1043 18.8187 18.8187 18.8551 18.8551 19.8069 19.8069 36.8289 36.8289 k = 0.2558-0.1477 0.2089 ( 998 PWs) bands (ev): -53.0354 -53.0354 -24.9772 -24.9772 -24.0478 -24.0478 -23.8946 -23.8946 13.3587 13.3587 15.9934 15.9934 18.1010 18.1010 18.8744 18.8744 18.9112 18.9112 19.8281 19.8281 36.6708 36.6708 k = 0.2616-0.1511 0.2136 ( 1018 PWs) bands (ev): -53.0393 -53.0393 -24.9869 -24.9869 -24.0591 -24.0591 -23.9004 -23.9004 13.4354 13.4354 15.9422 15.9422 18.0849 18.0849 18.9065 18.9065 18.9437 18.9437 19.8363 19.8363 36.4923 36.4923 k = 0.2674-0.1544 0.2184 ( 1018 PWs) bands (ev): -53.0357 -53.0357 -24.9952 -24.9952 -24.0686 -24.0686 -23.9055 -23.9055 13.5125 13.5125 15.8936 15.8936 18.0932 18.0932 18.9631 18.9631 19.0006 19.0006 19.8572 19.8572 36.3274 36.3274 k = 0.2733-0.1578 0.2231 ( 1018 PWs) bands (ev): -53.0321 -53.0321 -25.0035 -25.0035 -24.0780 -24.0780 -23.9105 -23.9105 13.5858 13.5858 15.8455 15.8455 18.1078 18.1078 19.0203 19.0203 19.0581 19.0581 19.8781 19.8781 36.1591 36.1591 k = 0.2791-0.1611 0.2279 ( 1018 PWs) bands (ev): -53.0285 -53.0285 -25.0117 -25.0117 -24.0873 -24.0873 -23.9155 -23.9155 13.6549 13.6549 15.7980 15.7980 18.1291 18.1291 19.0781 19.0781 19.1161 19.1161 19.8990 19.8990 35.9875 35.9875 k = 0.2849-0.1645 0.2326 ( 1018 PWs) bands (ev): -53.0249 -53.0249 -25.0199 -25.0199 -24.0964 -24.0964 -23.9205 -23.9205 13.7195 13.7195 15.7511 15.7511 18.1575 18.1575 19.1364 19.1364 19.1746 19.1746 19.9199 19.9199 35.8124 35.8124 k = 0.2907-0.1678 0.2374 ( 1018 PWs) bands (ev): -53.0213 -53.0213 -25.0281 -25.0281 -24.1055 -24.1055 -23.9254 -23.9254 13.7793 13.7793 15.7049 15.7049 18.1931 18.1931 19.1950 19.1950 19.2334 19.2334 19.9406 19.9406 35.6340 35.6340 k = 0.2965-0.1712 0.2421 ( 1018 PWs) bands (ev): -53.0178 -53.0178 -25.0362 -25.0362 -24.1143 -24.1143 -23.9303 -23.9303 13.8341 13.8341 15.6595 15.6595 18.2363 18.2363 19.2541 19.2541 19.2926 19.2926 19.9612 19.9612 35.4522 35.4522 k = 0.3023-0.1745 0.2468 ( 1018 PWs) bands (ev): -53.0143 -53.0143 -25.0442 -25.0442 -24.1231 -24.1231 -23.9351 -23.9351 13.8838 13.8838 15.6148 15.6148 18.2870 18.2870 19.3133 19.3133 19.3521 19.3521 19.9817 19.9817 35.2673 35.2673 k = 0.3081-0.1779 0.2516 ( 1018 PWs) bands (ev): -53.0108 -53.0108 -25.0521 -25.0521 -24.1317 -24.1317 -23.9399 -23.9399 13.9282 13.9282 15.5709 15.5709 18.3454 18.3454 19.3728 19.3728 19.4116 19.4116 20.0019 20.0019 35.0792 35.0792 k = 0.3140-0.1813 0.2563 ( 1018 PWs) bands (ev): -53.0073 -53.0073 -25.0600 -25.0600 -24.1401 -24.1401 -23.9446 -23.9446 13.9674 13.9674 15.5280 15.5280 18.4113 18.4113 19.4324 19.4324 19.4713 19.4713 20.0220 20.0220 34.8882 34.8882 k = 0.3198-0.1846 0.2611 ( 1018 PWs) bands (ev): -53.0039 -53.0039 -25.0677 -25.0677 -24.1483 -24.1483 -23.9492 -23.9492 14.0014 14.0014 15.4859 15.4859 18.4847 18.4847 19.4920 19.4920 19.5309 19.5309 20.0418 20.0418 34.6946 34.6946 k = 0.3256-0.1880 0.2658 ( 1018 PWs) bands (ev): -53.0006 -53.0006 -25.0753 -25.0753 -24.1564 -24.1564 -23.9537 -23.9537 14.0305 14.0305 15.4449 15.4449 18.5653 18.5653 19.5515 19.5515 19.5904 19.5904 20.0614 20.0614 34.4985 34.4985 k = 0.3314-0.1913 0.2706 ( 1018 PWs) bands (ev): -52.9973 -52.9973 -25.0828 -25.0828 -24.1643 -24.1643 -23.9582 -23.9582 14.0547 14.0547 15.4048 15.4048 18.6527 18.6527 19.6108 19.6108 19.6497 19.6497 20.0807 20.0807 34.3003 34.3003 k = 0.3372-0.1947 0.2753 ( 1018 PWs) bands (ev): -52.9940 -52.9940 -25.0901 -25.0901 -24.1719 -24.1719 -23.9625 -23.9625 14.0744 14.0744 15.3657 15.3657 18.7467 18.7467 19.6698 19.6698 19.7087 19.7087 20.0997 20.0997 34.1003 34.1003 k = 0.3430-0.1980 0.2801 ( 1026 PWs) bands (ev): -52.9940 -52.9940 -25.0978 -25.0978 -24.1800 -24.1800 -23.9673 -23.9673 14.0893 14.0893 15.3247 15.3247 18.8468 18.8468 19.7135 19.7135 19.7523 19.7523 20.1130 20.1130 33.8988 33.8988 k = 0.3488-0.2014 0.2848 ( 1026 PWs) bands (ev): -52.9909 -52.9909 -25.1049 -25.1049 -24.1872 -24.1872 -23.9714 -23.9714 14.1008 14.1008 15.2878 15.2878 18.9525 18.9525 19.7714 19.7714 19.8099 19.8099 20.1313 20.1313 33.6963 33.6963 k = 0.3547-0.2048 0.2896 ( 1026 PWs) bands (ev): -52.9879 -52.9879 -25.1117 -25.1117 -24.1943 -24.1943 -23.9755 -23.9755 14.1087 14.1087 15.2520 15.2520 19.0634 19.0634 19.8287 19.8287 19.8669 19.8669 20.1492 20.1492 33.4931 33.4931 k = 0.3605-0.2081 0.2943 ( 1026 PWs) bands (ev): -52.9850 -52.9850 -25.1184 -25.1184 -24.2011 -24.2011 -23.9794 -23.9794 14.1133 14.1133 15.2174 15.2174 19.1789 19.1789 19.8853 19.8853 19.9230 19.9230 20.1668 20.1668 33.2898 33.2898 k = 0.3663-0.2115 0.2991 ( 1026 PWs) bands (ev): -52.9821 -52.9821 -25.1249 -25.1249 -24.2076 -24.2076 -23.9832 -23.9832 14.1151 14.1151 15.1839 15.1839 19.2983 19.2983 19.9411 19.9411 19.9780 19.9780 20.1841 20.1841 33.0866 33.0867 k = 0.3721-0.2148 0.3038 ( 1026 PWs) bands (ev): -52.9793 -52.9793 -25.1311 -25.1311 -24.2140 -24.2140 -23.9869 -23.9869 14.1144 14.1144 15.1517 15.1517 19.4211 19.4211 19.9959 19.9959 20.0318 20.0318 20.2012 20.2012 32.8843 32.8843 k = 0.3779-0.2182 0.3086 ( 1026 PWs) bands (ev): -52.9767 -52.9767 -25.1372 -25.1372 -24.2200 -24.2200 -23.9905 -23.9905 14.1114 14.1114 15.1208 15.1208 19.5466 19.5466 20.0497 20.0497 20.0840 20.0840 20.2184 20.2184 32.6832 32.6832 k = 0.3837-0.2215 0.3133 ( 1026 PWs) bands (ev): -52.9741 -52.9741 -25.1430 -25.1430 -24.2259 -24.2259 -23.9939 -23.9939 14.1067 14.1067 15.0911 15.0911 19.6742 19.6742 20.1024 20.1024 20.1340 20.1340 20.2360 20.2360 32.4839 32.4839 k = 0.3895-0.2249 0.3181 ( 1026 PWs) bands (ev): -52.9716 -52.9716 -25.1487 -25.1487 -24.2314 -24.2314 -23.9972 -23.9972 14.1004 14.1004 15.0628 15.0628 19.8031 19.8031 20.1538 20.1538 20.1803 20.1803 20.2553 20.2553 32.2870 32.2870 k = 0.3953-0.2283 0.3228 ( 1018 PWs) bands (ev): -52.9661 -52.9661 -25.1535 -25.1535 -24.2362 -24.2362 -23.9999 -23.9999 14.0944 14.0944 15.0394 15.0394 19.9329 19.9329 20.2192 20.2192 20.2287 20.2287 20.2870 20.2870 32.0939 32.0939 k = 0.4012-0.2316 0.3275 ( 1014 PWs) bands (ev): -52.9623 -52.9623 -25.1583 -25.1583 -24.2409 -24.2409 -24.0029 -24.0029 14.0940 14.0940 15.0136 15.0136 20.0632 20.0632 20.2540 20.2540 20.2688 20.2688 20.3234 20.3234 31.9177 31.9177 k = 0.4070-0.2350 0.3323 ( 1014 PWs) bands (ev): -52.9602 -52.9602 -25.1632 -25.1632 -24.2457 -24.2457 -24.0057 -24.0057 14.0847 14.0847 14.9892 14.9892 20.1901 20.1901 20.2722 20.2722 20.3175 20.3175 20.3640 20.3640 31.7312 31.7312 k = 0.4128-0.2383 0.3370 ( 1014 PWs) bands (ev): -52.9581 -52.9581 -25.1678 -25.1678 -24.2502 -24.2502 -24.0084 -24.0084 14.0748 14.0748 14.9662 14.9662 20.2870 20.2870 20.3078 20.3078 20.3720 20.3720 20.4054 20.4054 31.5498 31.5498 k = 0.4186-0.2417 0.3418 ( 1006 PWs) bands (ev): -52.9532 -52.9532 -25.1716 -25.1716 -24.2538 -24.2538 -24.0108 -24.0108 14.0737 14.0737 14.9450 14.9450 20.3008 20.3008 20.3937 20.3937 20.4558 20.4558 20.4651 20.4651 31.3874 31.3874 k = 0.4244-0.2450 0.3465 ( 1006 PWs) bands (ev): -52.9514 -52.9514 -25.1756 -25.1756 -24.2578 -24.2578 -24.0132 -24.0132 14.0634 14.0634 14.9248 14.9248 20.3124 20.3124 20.4412 20.4412 20.4947 20.4947 20.5803 20.5803 31.2179 31.2179 k = 0.4302-0.2484 0.3513 ( 1006 PWs) bands (ev): -52.9498 -52.9498 -25.1795 -25.1795 -24.2615 -24.2615 -24.0154 -24.0154 14.0531 14.0531 14.9061 14.9061 20.3230 20.3230 20.4810 20.4810 20.5316 20.5316 20.6973 20.6973 31.0557 31.0557 k = 0.4360-0.2518 0.3560 ( 1006 PWs) bands (ev): -52.9483 -52.9483 -25.1830 -25.1830 -24.2649 -24.2649 -24.0174 -24.0174 14.0432 14.0432 14.8888 14.8888 20.3327 20.3327 20.5171 20.5171 20.5662 20.5662 20.8108 20.8108 30.9017 30.9017 k = 0.4419-0.2551 0.3608 ( 1006 PWs) bands (ev): -52.9469 -52.9469 -25.1862 -25.1862 -24.2680 -24.2680 -24.0193 -24.0193 14.0337 14.0337 14.8730 14.8730 20.3416 20.3416 20.5502 20.5502 20.5984 20.5984 20.9192 20.9192 30.7568 30.7568 k = 0.4477-0.2585 0.3655 ( 1006 PWs) bands (ev): -52.9456 -52.9456 -25.1891 -25.1891 -24.2708 -24.2708 -24.0210 -24.0210 14.0248 14.0248 14.8587 14.8587 20.3497 20.3497 20.5804 20.5804 20.6280 20.6280 21.0213 21.0213 30.6219 30.6219 k = 0.4535-0.2618 0.3703 ( 1010 PWs) bands (ev): -52.9459 -52.9459 -25.1920 -25.1920 -24.2736 -24.2736 -24.0228 -24.0228 14.0165 14.0165 14.8417 14.8417 20.3569 20.3569 20.6012 20.6012 20.6484 20.6484 21.1161 21.1161 30.4969 30.4969 k = 0.4593-0.2652 0.3750 ( 1010 PWs) bands (ev): -52.9449 -52.9449 -25.1943 -25.1943 -24.2758 -24.2758 -24.0242 -24.0242 14.0090 14.0090 14.8303 14.8303 20.3633 20.3633 20.6255 20.6255 20.6724 20.6724 21.2027 21.2027 30.3847 30.3847 k = 0.4651-0.2685 0.3798 ( 1010 PWs) bands (ev): -52.9439 -52.9439 -25.1964 -25.1964 -24.2778 -24.2778 -24.0254 -24.0254 14.0024 14.0024 14.8204 14.8204 20.3689 20.3689 20.6469 20.6469 20.6935 20.6935 21.2799 21.2799 30.2853 30.2853 k = 0.4709-0.2719 0.3845 ( 1010 PWs) bands (ev): -52.9431 -52.9431 -25.1981 -25.1981 -24.2794 -24.2794 -24.0264 -24.0264 13.9967 13.9967 14.8121 14.8121 20.3737 20.3737 20.6651 20.6651 20.7115 20.7115 21.3470 21.3470 30.1995 30.1995 k = 0.4767-0.2752 0.3893 ( 1014 PWs) bands (ev): -52.9440 -52.9440 -25.1999 -25.1999 -24.2811 -24.2811 -24.0273 -24.0273 13.9870 13.9870 14.8052 14.8052 20.3773 20.3773 20.6756 20.6756 20.7218 20.7218 21.4026 21.4026 30.1212 30.1212 k = 0.4826-0.2786 0.3940 ( 1014 PWs) bands (ev): -52.9435 -52.9435 -25.2010 -25.2010 -24.2822 -24.2822 -24.0279 -24.0279 13.9832 13.9832 14.7999 14.7999 20.3804 20.3804 20.6874 20.6874 20.7335 20.7335 21.4472 21.4472 30.0648 30.0648 k = 0.4884-0.2820 0.3988 ( 1014 PWs) bands (ev): -52.9431 -52.9431 -25.2018 -25.2018 -24.2829 -24.2829 -24.0284 -24.0284 13.9805 13.9805 14.7961 14.7961 20.3828 20.3828 20.6959 20.6959 20.7420 20.7420 21.4795 21.4795 30.0240 30.0240 k = 0.4942-0.2853 0.4035 ( 1014 PWs) bands (ev): -52.9428 -52.9428 -25.2022 -25.2022 -24.2834 -24.2834 -24.0286 -24.0286 13.9789 13.9789 14.7938 14.7938 20.3843 20.3843 20.7012 20.7012 20.7472 20.7472 21.4990 21.4990 29.9995 29.9995 k = 0.5000-0.2887 0.4082 ( 998 PWs) bands (ev): -52.9366 -52.9366 -25.2014 -25.2014 -24.2824 -24.2824 -24.0278 -24.0278 13.9834 13.9834 14.7950 14.7950 20.4072 20.4072 20.7275 20.7275 20.7733 20.7733 21.5059 21.5059 30.0010 30.0010 k = 0.5000-0.2887 0.4082 ( 998 PWs) bands (ev): -52.9366 -52.9366 -25.2014 -25.2014 -24.2824 -24.2824 -24.0278 -24.0278 13.9834 13.9834 14.7950 14.7950 20.4072 20.4072 20.7275 20.7275 20.7733 20.7733 21.5059 21.5059 30.0010 30.0010 k = 0.5000-0.2820 0.4130 ( 1016 PWs) bands (ev): -52.9434 -52.9434 -25.2024 -25.2024 -24.2836 -24.2836 -24.0290 -24.0290 13.9790 13.9790 14.7904 14.7904 20.3833 20.3833 20.6899 20.6899 20.7403 20.7403 21.5282 21.5282 29.9878 29.9878 k = 0.5000-0.2752 0.4177 ( 1016 PWs) bands (ev): -52.9435 -52.9435 -25.2023 -25.2023 -24.2835 -24.2835 -24.0292 -24.0292 13.9826 13.9826 14.7931 14.7931 20.3786 20.3786 20.6384 20.6384 20.7314 20.7314 21.5915 21.5915 29.9870 29.9870 k = 0.5000-0.2685 0.4225 ( 1016 PWs) bands (ev): -52.9435 -52.9435 -25.2021 -25.2021 -24.2834 -24.2834 -24.0297 -24.0297 13.9887 13.9887 14.7977 14.7977 20.3707 20.3707 20.5558 20.5558 20.7283 20.7283 21.6824 21.6824 29.9859 29.9859 k = 0.5000-0.2618 0.4272 ( 1016 PWs) bands (ev): -52.9436 -52.9436 -25.2017 -25.2017 -24.2833 -24.2833 -24.0303 -24.0303 13.9971 13.9971 14.8041 14.8041 20.3587 20.3587 20.4576 20.4576 20.7271 20.7271 21.7905 21.7905 29.9843 29.9843 k = 0.5000-0.2551 0.4320 ( 1016 PWs) bands (ev): -52.9436 -52.9436 -25.2013 -25.2013 -24.2832 -24.2832 -24.0310 -24.0310 14.0080 14.0080 14.8124 14.8124 20.3281 20.3281 20.3661 20.3661 20.7265 20.7265 21.9092 21.9092 29.9824 29.9824 k = 0.5000-0.2484 0.4367 ( 1016 PWs) bands (ev): -52.9436 -52.9436 -25.2008 -25.2008 -24.2829 -24.2829 -24.0319 -24.0319 14.0213 14.0213 14.8226 14.8226 20.2273 20.2273 20.3370 20.3370 20.7261 20.7261 22.0349 22.0349 29.9800 29.9800 k = 0.5000-0.2417 0.4415 ( 1016 PWs) bands (ev): -52.9436 -52.9436 -25.2003 -25.2003 -24.2827 -24.2827 -24.0330 -24.0330 14.0369 14.0369 14.8347 14.8347 20.1118 20.1118 20.3170 20.3170 20.7258 20.7258 22.1654 22.1654 29.9773 29.9773 k = 0.5000-0.2350 0.4462 ( 1012 PWs) bands (ev): -52.9421 -52.9421 -25.1994 -25.1994 -24.2822 -24.2822 -24.0340 -24.0340 14.0549 14.0549 14.8526 14.8526 19.9985 19.9985 20.2953 20.2953 20.7317 20.7317 22.3010 22.3010 29.9753 29.9753 k = 0.5000-0.2283 0.4510 ( 1012 PWs) bands (ev): -52.9421 -52.9421 -25.1987 -25.1987 -24.2818 -24.2818 -24.0353 -24.0353 14.0751 14.0751 14.8683 14.8683 19.8794 19.8794 20.2711 20.2711 20.7315 20.7315 22.4379 22.4379 29.9718 29.9718 k = 0.5000-0.2215 0.4557 ( 1012 PWs) bands (ev): -52.9421 -52.9421 -25.1979 -25.1979 -24.2815 -24.2815 -24.0369 -24.0369 14.0975 14.0975 14.8859 14.8859 19.7601 19.7601 20.2446 20.2446 20.7313 20.7313 22.5769 22.5769 29.9680 29.9680 k = 0.5000-0.2148 0.4605 ( 1010 PWs) bands (ev): -52.9413 -52.9413 -25.1968 -25.1968 -24.2809 -24.2809 -24.0385 -24.0385 14.1246 14.1246 14.9054 14.9054 19.6444 19.6444 20.2157 20.2157 20.7311 20.7311 22.7191 22.7191 29.9672 29.9672 k = 0.5000-0.2081 0.4652 ( 1010 PWs) bands (ev): -52.9413 -52.9413 -25.1959 -25.1959 -24.2805 -24.2805 -24.0403 -24.0403 14.1512 14.1512 14.9266 14.9266 19.5256 19.5256 20.1842 20.1842 20.7310 20.7310 22.8615 22.8615 29.9627 29.9627 k = 0.5000-0.2014 0.4700 ( 1010 PWs) bands (ev): -52.9412 -52.9412 -25.1949 -25.1949 -24.2800 -24.2800 -24.0422 -24.0422 14.1799 14.1799 14.9498 14.9498 19.4074 19.4074 20.1505 20.1505 20.7309 20.7309 23.0054 23.0054 29.9578 29.9578 k = 0.5000-0.1947 0.4747 ( 1012 PWs) bands (ev): -52.9419 -52.9419 -25.1939 -25.1939 -24.2796 -24.2796 -24.0445 -24.0445 14.2098 14.2098 14.9748 14.9748 19.2899 19.2899 20.1067 20.1067 20.7308 20.7308 23.1503 23.1503 29.9501 29.9501 k = 0.5000-0.1880 0.4795 ( 1012 PWs) bands (ev): -52.9419 -52.9419 -25.1928 -25.1928 -24.2790 -24.2790 -24.0467 -24.0467 14.2422 14.2422 15.0017 15.0017 19.1735 19.1735 20.0684 20.0684 20.7308 20.7308 23.2966 23.2966 29.9447 29.9447 k = 0.5000-0.1813 0.4842 ( 1012 PWs) bands (ev): -52.9418 -52.9418 -25.1917 -25.1917 -24.2784 -24.2784 -24.0489 -24.0489 14.2764 14.2764 15.0304 15.0304 19.0580 19.0580 20.0281 20.0281 20.7308 20.7308 23.4438 23.4438 29.9390 29.9390 k = 0.5000-0.1745 0.4889 ( 1016 PWs) bands (ev): -52.9433 -52.9433 -25.1906 -25.1906 -24.2779 -24.2779 -24.0517 -24.0517 14.3107 14.3107 15.0539 15.0539 18.9435 18.9435 19.9848 19.9848 20.7306 20.7306 23.5918 23.5918 29.9278 29.9278 k = 0.5000-0.1678 0.4937 ( 1016 PWs) bands (ev): -52.9432 -52.9432 -25.1894 -25.1894 -24.2773 -24.2773 -24.0541 -24.0541 14.3480 14.3480 15.0861 15.0861 18.8303 18.8303 19.9409 19.9409 20.7306 20.7306 23.7409 23.7409 29.9216 29.9216 k = 0.5000-0.1611 0.4984 ( 1012 PWs) bands (ev): -52.9416 -52.9416 -25.1880 -25.1880 -24.2764 -24.2764 -24.0562 -24.0562 14.3873 14.3873 15.1225 15.1225 18.7196 18.7196 19.9052 19.9052 20.7309 20.7309 23.8917 23.8917 29.9199 29.9199 k = 0.5000-0.1544 0.5032 ( 1012 PWs) bands (ev): -52.9416 -52.9416 -25.1867 -25.1867 -24.2756 -24.2756 -24.0588 -24.0588 14.4272 14.4272 15.1584 15.1584 18.6088 18.6088 19.8581 19.8581 20.7310 20.7310 24.0423 24.0423 29.9132 29.9132 k = 0.5000-0.1477 0.5079 ( 1012 PWs) bands (ev): -52.9415 -52.9415 -25.1854 -25.1854 -24.2748 -24.2748 -24.0614 -24.0614 14.4681 14.4681 15.1960 15.1960 18.4992 18.4992 19.8098 19.8098 20.7311 20.7311 24.1937 24.1937 29.9062 29.9062 k = 0.5000-0.1410 0.5127 ( 1020 PWs) bands (ev): -52.9445 -52.9445 -25.1846 -25.1846 -24.2745 -24.2745 -24.0647 -24.0647 14.5074 14.5074 15.2267 15.2267 18.3855 18.3855 19.7592 19.7592 20.7253 20.7253 24.3392 24.3392 29.8926 29.8926 k = 0.5000-0.1343 0.5174 ( 1020 PWs) bands (ev): -52.9444 -52.9444 -25.1833 -25.1833 -24.2737 -24.2737 -24.0674 -24.0674 14.5499 14.5499 15.2678 15.2678 18.2785 18.2785 19.7092 19.7092 20.7254 20.7254 24.4917 24.4917 29.8853 29.8853 k = 0.5000-0.1276 0.5222 ( 1020 PWs) bands (ev): -52.9444 -52.9444 -25.1820 -25.1820 -24.2728 -24.2728 -24.0701 -24.0701 14.5929 14.5929 15.3108 15.3108 18.1728 18.1728 19.6586 19.6586 20.7254 20.7254 24.6449 24.6449 29.8779 29.8779 k = 0.5000-0.1208 0.5269 ( 1016 PWs) bands (ev): -52.9428 -52.9428 -25.1805 -25.1805 -24.2717 -24.2717 -24.0725 -24.0725 14.6365 14.6365 15.3569 15.3569 18.0762 18.0762 19.6103 19.6103 20.7277 20.7277 24.8037 24.8037 29.8703 29.8703 k = 0.5000-0.1141 0.5317 ( 1020 PWs) bands (ev): -52.9444 -52.9444 -25.1795 -25.1795 -24.2709 -24.2709 -24.0755 -24.0755 14.6785 14.6785 15.3957 15.3957 17.9725 17.9725 19.5594 19.5594 20.7264 20.7264 24.9571 24.9571 29.8583 29.8583 k = 0.5000-0.1074 0.5364 ( 1016 PWs) bands (ev): -52.9429 -52.9429 -25.1781 -25.1781 -24.2698 -24.2698 -24.0778 -24.0778 14.7218 14.7218 15.4447 15.4447 17.8775 17.8775 19.5147 19.5147 20.7271 20.7271 25.1164 25.1164 29.8502 29.8502 k = 0.5000-0.1007 0.5412 ( 1016 PWs) bands (ev): -52.9428 -52.9428 -25.1769 -25.1769 -24.2689 -24.2689 -24.0804 -24.0804 14.7647 14.7647 15.4946 15.4946 17.7771 17.7771 19.4645 19.4645 20.7272 20.7272 25.2713 25.2713 29.8377 29.8377 k = 0.5000-0.0940 0.5459 ( 1016 PWs) bands (ev): -52.9428 -52.9428 -25.1758 -25.1758 -24.2680 -24.2680 -24.0830 -24.0830 14.8069 14.8069 15.5463 15.5463 17.6781 17.6781 19.4152 19.4152 20.7272 20.7272 25.4267 25.4267 29.7566 29.7566 k = 0.5000-0.0873 0.5507 ( 1016 PWs) bands (ev): -52.9428 -52.9428 -25.1747 -25.1747 -24.2671 -24.2671 -24.0854 -24.0854 14.8482 14.8482 15.5998 15.5998 17.5806 17.5806 19.3671 19.3671 20.7273 20.7273 25.5825 25.5825 29.6126 29.6126 k = 0.5000-0.0806 0.5554 ( 1020 PWs) bands (ev): -52.9443 -52.9443 -25.1738 -25.1738 -24.2663 -24.2663 -24.0883 -24.0883 14.8875 14.8875 15.6538 15.6538 17.4844 17.4844 19.3078 19.3078 20.7274 20.7274 25.7382 25.7382 29.4631 29.4631 k = 0.5000-0.0738 0.5602 ( 1020 PWs) bands (ev): -52.9443 -52.9443 -25.1728 -25.1728 -24.2654 -24.2654 -24.0906 -24.0906 14.9260 14.9260 15.7108 15.7108 17.3899 17.3899 19.2629 19.2629 20.7275 20.7275 25.8946 25.8946 29.3129 29.3129 k = 0.5000-0.0671 0.5649 ( 1020 PWs) bands (ev): -52.9443 -52.9443 -25.1719 -25.1719 -24.2645 -24.2645 -24.0927 -24.0927 14.9627 14.9627 15.7695 15.7695 17.2969 17.2969 19.2203 19.2203 20.7276 20.7276 26.0512 26.0512 29.1616 29.1616 k = 0.5000-0.0604 0.5696 ( 1028 PWs) bands (ev): -52.9473 -52.9473 -25.1716 -25.1716 -24.2644 -24.2644 -24.0950 -24.0950 14.9921 14.9921 15.8280 15.8280 17.2008 17.2008 19.1782 19.1782 20.7129 20.7129 26.2001 26.2001 29.0084 29.0084 k = 0.5000-0.0537 0.5744 ( 1028 PWs) bands (ev): -52.9473 -52.9473 -25.1709 -25.1709 -24.2637 -24.2637 -24.0969 -24.0969 15.0241 15.0241 15.8901 15.8901 17.1109 17.1109 19.1412 19.1412 20.7129 20.7129 26.3570 26.3570 28.8554 28.8554 k = 0.5000-0.0470 0.5791 ( 1028 PWs) bands (ev): -52.9473 -52.9473 -25.1702 -25.1702 -24.2630 -24.2630 -24.0985 -24.0985 15.0532 15.0532 15.9541 15.9541 17.0226 17.0226 19.1075 19.1075 20.7129 20.7129 26.5141 26.5141 28.7018 28.7018 k = 0.5000-0.0403 0.5839 ( 1028 PWs) bands (ev): -52.9472 -52.9472 -25.1696 -25.1696 -24.2624 -24.2624 -24.1000 -24.1000 15.0792 15.0792 16.0197 16.0197 16.9359 16.9359 19.0776 19.0776 20.7129 20.7129 26.6713 26.6713 28.5476 28.5476 k = 0.5000-0.0336 0.5886 ( 1026 PWs) bands (ev): -52.9464 -52.9464 -25.1690 -25.1690 -24.2618 -24.2618 -24.1010 -24.1010 15.1018 15.1018 16.0883 16.0883 16.8507 16.8507 19.0574 19.0574 20.7129 20.7129 26.8285 26.8285 28.3944 28.3944 k = 0.5000-0.0269 0.5934 ( 1030 PWs) bands (ev): -52.9479 -52.9479 -25.1688 -25.1688 -24.2615 -24.2615 -24.1025 -24.1025 15.1206 15.1206 16.1541 16.1541 16.7628 16.7628 19.0337 19.0337 20.7101 20.7101 26.9801 26.9801 28.2371 28.2371 k = 0.5000-0.0201 0.5981 ( 1036 PWs) bands (ev): -52.9502 -52.9502 -25.1687 -25.1687 -24.2613 -24.2613 -24.1040 -24.1040 15.1351 15.1351 16.2189 16.2189 16.6769 16.6769 19.0079 19.0079 20.7091 20.7091 27.1323 27.1323 28.0776 28.0776 k = 0.5000-0.0134 0.6029 ( 1036 PWs) bands (ev): -52.9502 -52.9502 -25.1685 -25.1685 -24.2611 -24.2611 -24.1046 -24.1046 15.1459 15.1459 16.2911 16.2911 16.5965 16.5965 18.9954 18.9954 20.7091 20.7091 27.2884 27.2884 27.9223 27.9223 k = 0.5000-0.0067 0.6076 ( 1036 PWs) bands (ev): -52.9502 -52.9502 -25.1683 -25.1683 -24.2609 -24.2609 -24.1050 -24.1050 15.1524 15.1524 16.3650 16.3650 16.5177 16.5177 18.9879 18.9879 20.7090 20.7090 27.4424 27.4424 27.7689 27.7689 k = 0.5000-0.0000 0.6124 ( 1036 PWs) bands (ev): -52.9503 -52.9503 -25.1683 -25.1683 -24.2608 -24.2608 -24.1051 -24.1051 15.1546 15.1546 16.4400 16.4400 16.4410 16.4410 18.9853 18.9853 20.7090 20.7090 27.5608 27.5608 27.6507 27.6507 k = 0.5000-0.0000 0.6124 ( 1036 PWs) bands (ev): -52.9503 -52.9503 -25.1683 -25.1683 -24.2608 -24.2608 -24.1051 -24.1051 15.1546 15.1546 16.4400 16.4400 16.4410 16.4410 18.9853 18.9853 20.7090 20.7090 27.5608 27.5608 27.6507 27.6507 k = 0.4960 0.0070 0.6124 ( 1036 PWs) bands (ev): -52.9503 -52.9503 -25.1683 -25.1683 -24.2609 -24.2609 -24.1050 -24.1050 15.1541 15.1541 16.3875 16.3875 16.4939 16.4939 18.9866 18.9866 20.7082 20.7082 27.4890 27.4890 27.7140 27.7140 k = 0.4919 0.0140 0.6124 ( 1036 PWs) bands (ev): -52.9503 -52.9503 -25.1683 -25.1683 -24.2610 -24.2610 -24.1045 -24.1045 15.1526 15.1526 16.3345 16.3345 16.5481 16.5481 18.9903 18.9903 20.7057 20.7057 27.3887 27.3887 27.7879 27.7879 k = 0.4879 0.0210 0.6124 ( 1036 PWs) bands (ev): -52.9503 -52.9503 -25.1683 -25.1683 -24.2613 -24.2613 -24.1037 -24.1037 15.1500 15.1500 16.2817 16.2817 16.6031 16.6031 18.9963 18.9963 20.7014 20.7014 27.2885 27.2885 27.8432 27.8432 k = 0.4839 0.0279 0.6124 ( 1035 PWs) bands (ev): -52.9500 -52.9500 -25.1683 -25.1683 -24.2617 -24.2617 -24.1025 -24.1025 15.1467 15.1467 16.2310 16.2310 16.6587 16.6587 19.0058 19.0058 20.6955 20.6955 27.1905 27.1905 27.8796 27.8796 k = 0.4798 0.0349 0.6124 ( 1027 PWs) bands (ev): -52.9471 -52.9471 -25.1680 -25.1680 -24.2617 -24.2617 -24.1005 -24.1005 15.1435 15.1435 16.1829 16.1829 16.7193 16.7193 19.0235 19.0235 20.7020 20.7020 27.1007 27.1007 27.9000 27.9000 k = 0.4758 0.0419 0.6124 ( 1027 PWs) bands (ev): -52.9473 -52.9473 -25.1681 -25.1681 -24.2623 -24.2623 -24.0989 -24.0989 15.1381 15.1381 16.1318 16.1318 16.7757 16.7757 19.0356 19.0356 20.6928 20.6928 27.0081 27.0081 27.9005 27.9005 k = 0.4718 0.0489 0.6124 ( 1028 PWs) bands (ev): -52.9478 -52.9478 -25.1682 -25.1682 -24.2630 -24.2630 -24.0972 -24.0972 15.1318 15.1318 16.0811 16.0811 16.8324 16.8324 19.0466 19.0466 20.6820 20.6820 26.9187 26.9187 27.8871 27.8871 k = 0.4677 0.0559 0.6124 ( 1030 PWs) bands (ev): -52.9488 -52.9488 -25.1685 -25.1685 -24.2639 -24.2639 -24.0952 -24.0952 15.1236 15.1236 16.0322 16.0322 16.8893 16.8893 19.0590 19.0590 20.6649 20.6649 26.8324 26.8324 27.8638 27.8638 k = 0.4637 0.0629 0.6124 ( 1024 PWs) bands (ev): -52.9467 -52.9467 -25.1683 -25.1683 -24.2644 -24.2644 -24.0926 -24.0926 15.1191 15.1191 15.9876 15.9876 16.9497 16.9497 19.0809 19.0809 20.6540 20.6540 26.7540 26.7540 27.8383 27.8383 k = 0.4597 0.0698 0.6124 ( 1024 PWs) bands (ev): -52.9469 -52.9469 -25.1685 -25.1685 -24.2653 -24.2653 -24.0902 -24.0902 15.1103 15.1103 15.9418 15.9418 17.0066 17.0066 19.0987 19.0987 20.6387 20.6387 26.6743 26.6743 27.8009 27.8009 k = 0.4556 0.0768 0.6124 ( 1024 PWs) bands (ev): -52.9471 -52.9471 -25.1686 -25.1686 -24.2663 -24.2663 -24.0876 -24.0876 15.1007 15.1007 15.8978 15.8978 17.0633 17.0633 19.1176 19.1176 20.6221 20.6221 26.5981 26.5981 27.7591 27.7591 k = 0.4516 0.0838 0.6124 ( 1024 PWs) bands (ev): -52.9473 -52.9473 -25.1688 -25.1688 -24.2673 -24.2673 -24.0850 -24.0850 15.0904 15.0904 15.8557 15.8557 17.1196 17.1196 19.1372 19.1372 20.6042 20.6042 26.5252 26.5252 27.7144 27.7144 k = 0.4476 0.0908 0.6124 ( 1014 PWs) bands (ev): -52.9437 -52.9437 -25.1685 -25.1685 -24.2677 -24.2677 -24.0816 -24.0816 15.0848 15.0848 15.8253 15.8253 17.1801 17.1801 19.1599 19.1599 20.5960 20.5960 26.4612 26.4612 27.6715 27.6715 k = 0.4435 0.0978 0.6124 ( 1014 PWs) bands (ev): -52.9440 -52.9440 -25.1687 -25.1687 -24.2688 -24.2688 -24.0789 -24.0789 15.0734 15.0734 15.7871 15.7871 17.2351 17.2351 19.1804 19.1804 20.5757 20.5757 26.3956 26.3956 27.6240 27.6240 k = 0.4395 0.1048 0.6124 ( 1012 PWs) bands (ev): -52.9434 -52.9434 -25.1689 -25.1689 -24.2699 -24.2699 -24.0758 -24.0758 15.0621 15.0621 15.7518 15.7518 17.2893 17.2893 19.2071 19.2071 20.5547 20.5547 26.3337 26.3337 27.5769 27.5769 k = 0.4355 0.1117 0.6124 ( 1012 PWs) bands (ev): -52.9437 -52.9437 -25.1691 -25.1691 -24.2709 -24.2709 -24.0731 -24.0731 15.0500 15.0500 15.7183 15.7183 17.3422 17.3422 19.2276 19.2276 20.5330 20.5330 26.2754 26.2754 27.5298 27.5298 k = 0.4315 0.1187 0.6124 ( 1012 PWs) bands (ev): -52.9439 -52.9439 -25.1693 -25.1693 -24.2720 -24.2720 -24.0704 -24.0704 15.0377 15.0377 15.6872 15.6872 17.3937 17.3937 19.2480 19.2480 20.5109 20.5109 26.2207 26.2207 27.4837 27.4837 k = 0.4274 0.1257 0.6124 ( 1010 PWs) bands (ev): -52.9433 -52.9433 -25.1694 -25.1694 -24.2729 -24.2729 -24.0676 -24.0676 15.0254 15.0254 15.6595 15.6595 17.4446 17.4446 19.2679 19.2679 20.4943 20.4943 26.1710 26.1710 27.4409 27.4409 k = 0.4234 0.1327 0.6124 ( 1010 PWs) bands (ev): -52.9435 -52.9435 -25.1697 -25.1697 -24.2739 -24.2739 -24.0651 -24.0651 15.0130 15.0130 15.6332 15.6332 17.4923 17.4923 19.2873 19.2873 20.4721 20.4721 26.1236 26.1236 27.3983 27.3983 k = 0.4194 0.1397 0.6124 ( 1016 PWs) bands (ev): -52.9460 -52.9460 -25.1702 -25.1702 -24.2751 -24.2751 -24.0633 -24.0633 14.9993 14.9993 15.6082 15.6082 17.5328 17.5328 19.2963 19.2963 20.4444 20.4444 26.0771 26.0771 27.3560 27.3560 k = 0.4153 0.1467 0.6124 ( 1016 PWs) bands (ev): -52.9462 -52.9462 -25.1704 -25.1704 -24.2760 -24.2760 -24.0610 -24.0610 14.9875 14.9875 15.5868 15.5868 17.5759 17.5759 19.3136 19.3136 20.4227 20.4227 26.0373 26.0373 27.3183 27.3183 k = 0.4113 0.1536 0.6124 ( 1014 PWs) bands (ev): -52.9456 -52.9456 -25.1705 -25.1705 -24.2768 -24.2768 -24.0586 -24.0586 14.9780 14.9780 15.5700 15.5700 17.6161 17.6161 19.3301 19.3301 20.4021 20.4021 26.0013 26.0013 27.2845 27.2845 k = 0.4073 0.1606 0.6124 ( 1010 PWs) bands (ev): -52.9443 -52.9443 -25.1705 -25.1705 -24.2773 -24.2773 -24.0564 -24.0564 14.9684 14.9684 15.5545 15.5545 17.6534 17.6534 19.3520 19.3520 20.3896 20.3896 25.9692 25.9692 27.2543 27.2543 k = 0.4032 0.1676 0.6124 ( 1010 PWs) bands (ev): -52.9444 -52.9444 -25.1706 -25.1706 -24.2780 -24.2780 -24.0547 -24.0547 14.9586 14.9586 15.5397 15.5397 17.6871 17.6871 19.3654 19.3654 20.3712 20.3712 25.9408 25.9408 27.2259 27.2259 k = 0.3992 0.1746 0.6124 ( 1012 PWs) bands (ev): -52.9453 -52.9453 -25.1709 -25.1709 -24.2787 -24.2787 -24.0533 -24.0533 14.9492 14.9492 15.5266 15.5266 17.7169 17.7169 19.3770 19.3770 20.3475 20.3475 25.9160 25.9160 27.1990 27.1990 k = 0.3952 0.1816 0.6124 ( 1012 PWs) bands (ev): -52.9454 -52.9454 -25.1710 -25.1710 -24.2792 -24.2792 -24.0519 -24.0519 14.9416 14.9416 15.5161 15.5161 17.7429 17.7429 19.3873 19.3873 20.3328 20.3328 25.8952 25.8952 27.1776 27.1776 k = 0.3911 0.1886 0.6124 ( 1016 PWs) bands (ev): -52.9471 -52.9471 -25.1713 -25.1713 -24.2797 -24.2797 -24.0513 -24.0513 14.9338 14.9338 15.5055 15.5055 17.7640 17.7640 19.3909 19.3909 20.3138 20.3138 25.8779 25.8779 27.1584 27.1584 k = 0.3871 0.1956 0.6124 ( 1014 PWs) bands (ev): -52.9464 -52.9464 -25.1713 -25.1713 -24.2799 -24.2799 -24.0504 -24.0504 14.9313 14.9313 15.4989 15.4989 17.7831 17.7831 19.3976 19.3976 20.3039 20.3039 25.8679 25.8679 27.1459 27.1459 k = 0.3831 0.2025 0.6124 ( 1014 PWs) bands (ev): -52.9464 -52.9464 -25.1713 -25.1713 -24.2801 -24.2801 -24.0498 -24.0498 14.9275 14.9275 15.4943 15.4943 17.7954 17.7954 19.4024 19.4024 20.2967 20.2967 25.8583 25.8583 27.1360 27.1360 k = 0.3790 0.2095 0.6124 ( 1012 PWs) bands (ev): -52.9457 -52.9457 -25.1712 -25.1712 -24.2801 -24.2801 -24.0494 -24.0494 14.9253 14.9253 15.4921 15.4921 17.8054 17.8054 19.4082 19.4082 20.2940 20.2940 25.8547 25.8547 27.1305 27.1305 k = 0.3750 0.2165 0.6124 ( 1011 PWs) bands (ev): -52.9454 -52.9454 -25.1712 -25.1712 -24.2801 -24.2801 -24.0491 -24.0491 14.9257 14.9257 15.4921 15.4921 17.8079 17.8079 19.4092 19.4092 20.2925 20.2925 25.8528 25.8528 27.1290 27.1290 k = 0.3750 0.2165 0.6124 ( 1011 PWs) bands (ev): -52.9454 -52.9454 -25.1712 -25.1712 -24.2801 -24.2801 -24.0491 -24.0491 14.9257 14.9257 15.4921 15.4921 17.8079 17.8079 19.4092 19.4092 20.2925 20.2925 25.8528 25.8528 27.1290 27.1290 k = 0.3709 0.2141 0.6056 ( 1011 PWs) bands (ev): -52.9459 -52.9459 -25.1697 -25.1697 -24.2801 -24.2801 -24.0477 -24.0477 14.9788 14.9788 15.5258 15.5258 17.7305 17.7305 19.3626 19.3626 20.2641 20.2641 26.0249 26.0249 26.9191 26.9191 k = 0.3668 0.2117 0.5989 ( 1015 PWs) bands (ev): -52.9480 -52.9480 -25.1685 -25.1685 -24.2804 -24.2804 -24.0461 -24.0461 15.0273 15.0273 15.5585 15.5585 17.6518 17.6518 19.3163 19.3163 20.2338 20.2338 26.1913 26.1913 26.7088 26.7088 k = 0.3626 0.2094 0.5922 ( 1015 PWs) bands (ev): -52.9486 -52.9486 -25.1670 -25.1670 -24.2802 -24.2802 -24.0442 -24.0442 15.0816 15.0816 15.5900 15.5900 17.5787 17.5787 19.2707 19.2707 20.2039 20.2039 26.3626 26.3626 26.5054 26.5054 k = 0.3585 0.2070 0.5855 ( 1015 PWs) bands (ev): -52.9493 -52.9493 -25.1654 -25.1654 -24.2799 -24.2799 -24.0421 -24.0421 15.1364 15.1364 15.6200 15.6200 17.5078 17.5078 19.2256 19.2256 20.1733 20.1733 26.2958 26.2958 26.5433 26.5433 k = 0.3544 0.2046 0.5787 ( 1015 PWs) bands (ev): -52.9500 -52.9500 -25.1639 -25.1639 -24.2794 -24.2794 -24.0397 -24.0397 15.1917 15.1917 15.6484 15.6484 17.4391 17.4391 19.1812 19.1812 20.1419 20.1419 26.0957 26.0957 26.7179 26.7179 k = 0.3503 0.2022 0.5720 ( 1025 PWs) bands (ev): -52.9545 -52.9545 -25.1628 -25.1628 -24.2796 -24.2796 -24.0376 -24.0376 15.2465 15.2465 15.6651 15.6651 17.3673 17.3673 19.1214 19.1214 20.1084 20.1084 25.8921 25.8921 26.8866 26.8866 k = 0.3462 0.1999 0.5653 ( 1025 PWs) bands (ev): -52.9554 -52.9554 -25.1612 -25.1612 -24.2789 -24.2789 -24.0349 -24.0349 15.3023 15.3023 15.6895 15.6895 17.3029 17.3029 19.0784 19.0784 20.0756 20.0756 25.6960 25.6960 27.0638 27.0638 k = 0.3420 0.1975 0.5585 ( 1025 PWs) bands (ev): -52.9563 -52.9563 -25.1596 -25.1596 -24.2780 -24.2780 -24.0319 -24.0319 15.3582 15.3582 15.7118 15.7118 17.2408 17.2408 19.0362 19.0362 20.0422 20.0422 25.5027 25.5027 27.2418 27.2418 k = 0.3379 0.1951 0.5518 ( 1021 PWs) bands (ev): -52.9558 -52.9558 -25.1577 -25.1577 -24.2768 -24.2768 -24.0282 -24.0282 15.4169 15.4169 15.7322 15.7322 17.1813 17.1813 19.0042 19.0042 20.0101 20.0101 25.3126 25.3126 27.4209 27.4209 k = 0.3338 0.1927 0.5451 ( 1015 PWs) bands (ev): -52.9546 -52.9546 -25.1556 -25.1556 -24.2749 -24.2749 -24.0247 -24.0247 15.4726 15.4726 15.7561 15.7561 17.1283 17.1283 18.9687 18.9687 19.9756 19.9756 25.1345 25.1345 27.6050 27.6050 k = 0.3297 0.1903 0.5383 ( 1015 PWs) bands (ev): -52.9558 -52.9558 -25.1538 -25.1538 -24.2734 -24.2734 -24.0212 -24.0212 15.5263 15.5263 15.7725 15.7725 17.0728 17.0728 18.9294 18.9294 19.9404 19.9404 24.9505 24.9505 27.7853 27.7853 k = 0.3255 0.1880 0.5316 ( 1019 PWs) bands (ev): -52.9586 -52.9586 -25.1521 -25.1521 -24.2720 -24.2720 -24.0177 -24.0177 15.5770 15.5770 15.7860 15.7860 17.0163 17.0163 18.8850 18.8850 19.9027 19.9027 24.7684 24.7684 27.9613 27.9613 k = 0.3214 0.1856 0.5249 ( 1019 PWs) bands (ev): -52.9599 -52.9599 -25.1502 -25.1502 -24.2701 -24.2701 -24.0139 -24.0139 15.6224 15.6224 15.8041 15.8041 16.9653 16.9653 18.8480 18.8480 19.8663 19.8663 24.5909 24.5909 28.1430 28.1430 k = 0.3173 0.1832 0.5182 ( 1015 PWs) bands (ev): -52.9598 -52.9598 -25.1478 -25.1478 -24.2675 -24.2675 -24.0099 -24.0099 15.6604 15.6604 15.8299 15.8299 16.9192 16.9192 18.8157 18.8157 19.8298 19.8298 24.4237 24.4237 28.3278 28.3278 k = 0.3132 0.1808 0.5114 ( 1015 PWs) bands (ev): -52.9612 -52.9612 -25.1457 -25.1457 -24.2651 -24.2651 -24.0058 -24.0058 15.6839 15.6839 15.8623 15.8623 16.8727 16.8727 18.7812 18.7812 19.7923 19.7923 24.2532 24.2532 28.5107 28.5107 k = 0.3091 0.1784 0.5047 ( 1015 PWs) bands (ev): -52.9628 -52.9628 -25.1434 -25.1434 -24.2624 -24.2624 -24.0016 -24.0016 15.6935 15.6935 15.9045 15.9045 16.8284 16.8284 18.7480 18.7480 19.7544 19.7544 24.0861 24.0861 28.6942 28.6942 k = 0.3049 0.1761 0.4980 ( 1015 PWs) bands (ev): -52.9644 -52.9644 -25.1410 -25.1410 -24.2594 -24.2594 -23.9973 -23.9973 15.6917 15.6917 15.9540 15.9540 16.7865 16.7865 18.7162 18.7162 19.7161 19.7161 23.9225 23.9225 28.8783 28.8783 k = 0.3008 0.1737 0.4912 ( 1011 PWs) bands (ev): -52.9646 -52.9646 -25.1383 -25.1383 -24.2560 -24.2560 -23.9926 -23.9926 15.6814 15.6814 16.0080 16.0080 16.7491 16.7491 18.6922 18.6922 19.6850 19.6850 23.7629 23.7629 29.0649 29.0649 k = 0.2967 0.1713 0.4845 ( 1015 PWs) bands (ev): -52.9678 -52.9678 -25.1359 -25.1359 -24.2529 -24.2529 -23.9881 -23.9881 15.6573 15.6573 16.0641 16.0641 16.7092 16.7092 18.6623 18.6623 19.6456 19.6456 23.5993 23.5993 29.2464 29.2464 k = 0.2926 0.1689 0.4778 ( 1015 PWs) bands (ev): -52.9697 -52.9697 -25.1331 -25.1331 -24.2492 -24.2492 -23.9836 -23.9836 15.6334 15.6334 16.1219 16.1219 16.6740 16.6740 18.6349 18.6349 19.6059 19.6059 23.4459 23.4459 29.4320 29.4320 k = 0.2885 0.1665 0.4711 ( 1015 PWs) bands (ev): -52.9716 -52.9716 -25.1301 -25.1301 -24.2452 -24.2452 -23.9789 -23.9789 15.6040 15.6040 16.1807 16.1807 16.6411 16.6411 18.6089 18.6089 19.5658 19.5658 23.2960 23.2960 29.6180 29.6180 k = 0.2843 0.1642 0.4643 ( 1015 PWs) bands (ev): -52.9736 -52.9736 -25.1270 -25.1270 -24.2410 -24.2410 -23.9742 -23.9742 15.5693 15.5693 16.2398 16.2398 16.6104 16.6104 18.5845 18.5845 19.5255 19.5255 23.1496 23.1496 29.8046 29.8046 k = 0.2802 0.1618 0.4576 ( 1015 PWs) bands (ev): -52.9757 -52.9757 -25.1236 -25.1236 -24.2365 -24.2365 -23.9695 -23.9695 15.5295 15.5295 16.2993 16.2993 16.5820 16.5820 18.5617 18.5617 19.4849 19.4849 23.0066 23.0066 29.9915 29.9915 k = 0.2761 0.1594 0.4509 ( 1019 PWs) bands (ev): -52.9794 -52.9794 -25.1204 -25.1204 -24.2321 -24.2321 -23.9647 -23.9647 15.4791 15.4791 16.3587 16.3587 16.5547 16.5547 18.5368 18.5368 19.4438 19.4438 22.8584 22.8584 30.1770 30.1770 k = 0.2720 0.1570 0.4441 ( 1015 PWs) bands (ev): -52.9801 -52.9801 -25.1165 -25.1165 -24.2269 -24.2269 -23.9595 -23.9595 15.4299 15.4299 16.4182 16.4182 16.5326 16.5326 18.5203 18.5203 19.4131 19.4131 22.7236 22.7236 30.3659 30.3659 k = 0.2679 0.1546 0.4374 ( 1015 PWs) bands (ev): -52.9824 -52.9824 -25.1126 -25.1126 -24.2216 -24.2216 -23.9546 -23.9546 15.3758 15.3758 16.4769 16.4769 16.5115 16.5115 18.5022 18.5022 19.3716 19.3716 22.5899 22.5899 30.5538 30.5538 k = 0.2637 0.1523 0.4307 ( 1019 PWs) bands (ev): -52.9863 -52.9863 -25.1086 -25.1086 -24.2163 -24.2163 -23.9501 -23.9501 15.3171 15.3171 16.4902 16.4902 16.5330 16.5330 18.4765 18.4765 19.3295 19.3295 22.4593 22.4593 30.7418 30.7418 k = 0.2596 0.1499 0.4240 ( 1019 PWs) bands (ev): -52.9888 -52.9888 -25.1042 -25.1042 -24.2106 -24.2106 -23.9452 -23.9452 15.2541 15.2541 16.4733 16.4733 16.5912 16.5912 18.4616 18.4616 19.2877 19.2877 22.3318 22.3318 30.9301 30.9301 k = 0.2555 0.1475 0.4172 ( 1019 PWs) bands (ev): -52.9913 -52.9913 -25.0996 -25.0996 -24.2046 -24.2046 -23.9402 -23.9402 15.1870 15.1870 16.4582 16.4582 16.6493 16.6493 18.4482 18.4482 19.2458 19.2458 22.2074 22.2074 31.1186 31.1186 k = 0.2514 0.1451 0.4105 ( 1019 PWs) bands (ev): -52.9939 -52.9939 -25.0948 -25.0948 -24.1985 -24.1985 -23.9352 -23.9352 15.1159 15.1159 16.4452 16.4452 16.7069 16.7069 18.4365 18.4365 19.2039 19.2039 22.0858 22.0858 31.3071 31.3071 k = 0.2473 0.1428 0.4038 ( 1019 PWs) bands (ev): -52.9965 -52.9965 -25.0898 -25.0898 -24.1921 -24.1921 -23.9302 -23.9302 15.0410 15.0410 16.4342 16.4342 16.7641 16.7641 18.4264 18.4264 19.1618 19.1618 21.9670 21.9670 31.4957 31.4957 k = 0.2431 0.1404 0.3970 ( 1019 PWs) bands (ev): -52.9992 -52.9992 -25.0846 -25.0846 -24.1855 -24.1855 -23.9252 -23.9252 14.9625 14.9625 16.4254 16.4254 16.8206 16.8206 18.4179 18.4179 19.1198 19.1198 21.8509 21.8509 31.6842 31.6842 k = 0.2390 0.1380 0.3903 ( 1019 PWs) bands (ev): -53.0019 -53.0019 -25.0791 -25.0791 -24.1787 -24.1787 -23.9203 -23.9203 14.8806 14.8806 16.4187 16.4187 16.8764 16.8764 18.4110 18.4110 19.0777 19.0777 21.7375 21.7375 31.8727 31.8727 k = 0.2349 0.1356 0.3836 ( 1015 PWs) bands (ev): -53.0033 -53.0033 -25.0732 -25.0732 -24.1715 -24.1715 -23.9150 -23.9150 14.7941 14.7941 16.4184 16.4184 16.9321 16.9321 18.4137 18.4137 19.0419 19.0419 21.6254 21.6254 32.0610 32.0610 k = 0.2308 0.1332 0.3768 ( 1015 PWs) bands (ev): -53.0062 -53.0062 -25.0673 -25.0673 -24.1643 -24.1643 -23.9100 -23.9100 14.7062 14.7062 16.4153 16.4153 16.9862 16.9862 18.4099 18.4099 18.9999 18.9999 21.5170 21.5170 32.2487 32.2487 k = 0.2266 0.1309 0.3701 ( 1015 PWs) bands (ev): -53.0092 -53.0092 -25.0611 -25.0611 -24.1569 -24.1569 -23.9051 -23.9051 14.6156 14.6156 16.4143 16.4143 17.0393 17.0393 18.4076 18.4076 18.9579 18.9579 21.4110 21.4110 32.4360 32.4360 k = 0.2225 0.1285 0.3634 ( 1015 PWs) bands (ev): -53.0122 -53.0122 -25.0548 -25.0548 -24.1494 -24.1494 -23.9002 -23.9002 14.5225 14.5225 16.4152 16.4152 17.0915 17.0915 18.4068 18.4068 18.9160 18.9160 21.3073 21.3073 32.6228 32.6228 k = 0.2184 0.1261 0.3567 ( 1015 PWs) bands (ev): -53.0153 -53.0153 -25.0483 -25.0483 -24.1416 -24.1416 -23.8953 -23.8953 14.4272 14.4272 16.4180 16.4180 17.1426 17.1426 18.4076 18.4076 18.8744 18.8744 21.2060 21.2060 32.8090 32.8090 k = 0.2143 0.1237 0.3499 ( 1009 PWs) bands (ev): -53.0161 -53.0161 -25.0411 -25.0411 -24.1333 -24.1333 -23.8902 -23.8902 14.3310 14.3310 16.4279 16.4279 17.1941 17.1941 18.4203 18.4203 18.8336 18.8336 21.1125 21.1125 32.9997 32.9997 k = 0.2102 0.1213 0.3432 ( 1009 PWs) bands (ev): -53.0193 -53.0193 -25.0342 -25.0342 -24.1252 -24.1252 -23.8854 -23.8854 14.2318 14.2318 16.4343 16.4343 17.2428 17.2428 18.4238 18.4238 18.7924 18.7924 21.0156 21.0156 33.1836 33.1836 k = 0.2060 0.1190 0.3365 ( 1013 PWs) bands (ev): -53.0241 -53.0241 -25.0273 -25.0273 -24.1172 -24.1172 -23.8810 -23.8810 14.1307 14.1307 16.4413 16.4413 17.2887 17.2887 18.4189 18.4189 18.7490 18.7490 20.9206 20.9206 33.3635 33.3635 k = 0.2019 0.1166 0.3297 ( 1013 PWs) bands (ev): -53.0273 -53.0273 -25.0201 -25.0201 -24.1088 -24.1088 -23.8763 -23.8763 14.0287 14.0287 16.4513 16.4513 17.3348 17.3348 18.4251 18.4251 18.7083 18.7083 20.8281 20.8281 33.5410 33.5410 k = 0.1978 0.1142 0.3230 ( 1015 PWs) bands (ev): -53.0314 -53.0314 -25.0129 -25.0129 -24.1005 -24.1005 -23.8716 -23.8716 13.9243 13.9243 16.4605 16.4605 17.3790 17.3790 18.4326 18.4326 18.6680 18.6680 20.7337 20.7337 33.7087 33.7087 k = 0.1937 0.1118 0.3163 ( 1009 PWs) bands (ev): -53.0325 -53.0325 -25.0050 -25.0050 -24.0914 -24.0914 -23.8666 -23.8666 13.8205 13.8205 16.4803 16.4803 17.4278 17.4278 18.4473 18.4473 18.6309 18.6309 20.6468 20.6468 33.8757 33.8757 k = 0.1896 0.1094 0.3096 ( 1009 PWs) bands (ev): -53.0359 -53.0359 -24.9974 -24.9974 -24.0826 -24.0826 -23.8621 -23.8621 13.7159 13.7159 16.4951 16.4951 17.4693 17.4693 18.4571 18.4571 18.5916 18.5916 20.5609 20.5609 34.0369 34.0369 k = 0.1854 0.1071 0.3028 ( 1009 PWs) bands (ev): -53.0393 -53.0393 -24.9896 -24.9896 -24.0737 -24.0737 -23.8576 -23.8576 13.6108 13.6108 16.5113 16.5113 17.5091 17.5091 18.4674 18.4674 18.5535 18.5535 20.4772 20.4772 34.1993 34.1993 k = 0.1813 0.1047 0.2961 ( 1009 PWs) bands (ev): -53.0427 -53.0427 -24.9818 -24.9818 -24.0647 -24.0647 -23.8532 -23.8532 13.5055 13.5055 16.5291 16.5291 17.5472 17.5472 18.4758 18.4758 18.5190 18.5190 20.3959 20.3959 34.3637 34.3637 k = 0.1772 0.1023 0.2894 ( 1009 PWs) bands (ev): -53.0461 -53.0461 -24.9738 -24.9738 -24.0556 -24.0556 -23.8488 -23.8488 13.4000 13.4000 16.5482 16.5482 17.5834 17.5834 18.4643 18.4643 18.5059 18.5059 20.3170 20.3170 34.5304 34.5304 k = 0.1731 0.0999 0.2826 ( 1009 PWs) bands (ev): -53.0495 -53.0495 -24.9658 -24.9658 -24.0463 -24.0463 -23.8445 -23.8445 13.2947 13.2947 16.5688 16.5688 17.6177 17.6177 18.4313 18.4313 18.5161 18.5161 20.2405 20.2405 34.6996 34.6996 k = 0.1690 0.0975 0.2759 ( 1013 PWs) bands (ev): -53.0545 -53.0545 -24.9581 -24.9581 -24.0373 -24.0373 -23.8405 -23.8405 13.1887 13.1887 16.5886 16.5886 17.6498 17.6498 18.3934 18.3934 18.5215 18.5215 20.1637 20.1637 34.8710 34.8710 k = 0.1648 0.0952 0.2692 ( 1013 PWs) bands (ev): -53.0579 -53.0579 -24.9500 -24.9500 -24.0278 -24.0278 -23.8363 -23.8363 13.0841 13.0841 16.6116 16.6116 17.6800 17.6800 18.3571 18.3571 18.5378 18.5378 20.0922 20.0922 35.0450 35.0450 k = 0.1607 0.0928 0.2624 ( 1007 PWs) bands (ev): -53.0590 -53.0590 -24.9414 -24.9414 -24.0177 -24.0177 -23.8322 -23.8322 12.9814 12.9814 16.6377 16.6377 17.7101 17.7101 18.3212 18.3212 18.5591 18.5591 20.0418 20.0418 35.2216 35.2216 k = 0.1566 0.0904 0.2557 ( 1007 PWs) bands (ev): -53.0625 -53.0625 -24.9333 -24.9333 -24.0082 -24.0082 -23.8282 -23.8282 12.8781 12.8781 16.6629 16.6629 17.7359 17.7359 18.2856 18.2856 18.5776 18.5776 19.9751 19.9751 35.3998 35.3998 k = 0.1525 0.0880 0.2490 ( 999 PWs) bands (ev): -53.0629 -53.0629 -24.9248 -24.9248 -23.9980 -23.9980 -23.8238 -23.8238 12.7762 12.7762 16.6962 16.6962 17.7614 17.7614 18.2548 18.2548 18.6128 18.6128 19.9134 19.9134 35.5810 35.5810 k = 0.1484 0.0857 0.2423 ( 999 PWs) bands (ev): -53.0664 -53.0664 -24.9168 -24.9168 -23.9883 -23.9883 -23.8200 -23.8200 12.6748 12.6748 16.7232 16.7232 17.7823 17.7823 18.2203 18.2203 18.6328 18.6328 19.8526 19.8526 35.7568 35.7568 k = 0.1442 0.0833 0.2355 ( 995 PWs) bands (ev): -53.0683 -53.0683 -24.9087 -24.9087 -23.9785 -23.9785 -23.8159 -23.8159 12.5748 12.5748 16.7511 16.7511 17.8057 17.8057 18.1955 18.1955 18.6540 18.6540 19.7962 19.7962 35.9183 35.9183 k = 0.1401 0.0809 0.2288 ( 999 PWs) bands (ev): -53.0732 -53.0732 -24.9010 -24.9010 -23.9692 -23.9692 -23.8123 -23.8123 12.4748 12.4748 16.7794 16.7794 17.8211 17.8211 18.1623 18.1623 18.6678 18.6678 19.7327 19.7327 36.0646 36.0646 k = 0.1360 0.0785 0.2221 ( 999 PWs) bands (ev): -53.0766 -53.0766 -24.8932 -24.8932 -23.9595 -23.9595 -23.8088 -23.8088 12.3776 12.3776 16.8087 16.8087 17.8341 17.8341 18.1299 18.1299 18.6896 18.6896 19.6811 19.6811 36.2034 36.2034 k = 0.1319 0.0761 0.2153 ( 999 PWs) bands (ev): -53.0799 -53.0799 -24.8855 -24.8855 -23.9498 -23.9498 -23.8053 -23.8053 12.2820 12.2820 16.8385 16.8385 17.8444 17.8444 18.0983 18.0983 18.7120 18.7120 19.6329 19.6329 36.3354 36.3354 k = 0.1277 0.0738 0.2086 ( 999 PWs) bands (ev): -53.0832 -53.0832 -24.8779 -24.8779 -23.9401 -23.9401 -23.8019 -23.8019 12.1880 12.1880 16.8689 16.8689 17.8518 17.8518 18.0675 18.0675 18.7347 18.7347 19.5881 19.5881 36.4607 36.4607 k = 0.1236 0.0714 0.2019 ( 997 PWs) bands (ev): -53.0857 -53.0857 -24.8703 -24.8703 -23.9303 -23.9303 -23.7986 -23.7986 12.0962 12.0962 16.8997 16.8997 17.8565 17.8565 18.0377 18.0377 18.7634 18.7634 19.5497 19.5497 36.5789 36.5789 k = 0.1195 0.0690 0.1952 ( 997 PWs) bands (ev): -53.0888 -53.0888 -24.8630 -24.8630 -23.9208 -23.9208 -23.7954 -23.7954 12.0060 12.0060 16.9308 16.9308 17.8583 17.8583 18.0088 18.0088 18.7868 18.7868 19.5117 19.5117 36.6896 36.6896 k = 0.1154 0.0666 0.1884 ( 1001 PWs) bands (ev): -53.0934 -53.0934 -24.8561 -24.8561 -23.9114 -23.9114 -23.7927 -23.7927 11.9177 11.9177 16.9614 16.9614 17.8516 17.8516 17.9753 17.9753 18.8064 18.8064 19.4770 19.4770 36.7917 36.7917 k = 0.1113 0.0642 0.1817 ( 1001 PWs) bands (ev): -53.0964 -53.0964 -24.8491 -24.8491 -23.9020 -23.9020 -23.7898 -23.7898 11.8319 11.8319 16.9929 16.9929 17.8476 17.8476 17.9486 17.9486 18.8300 18.8300 19.4456 19.4456 36.8862 36.8862 k = 0.1071 0.0619 0.1750 ( 997 PWs) bands (ev): -53.0979 -53.0979 -24.8420 -24.8420 -23.8922 -23.8922 -23.7869 -23.7869 11.7487 11.7487 17.0259 17.0259 17.8456 17.8456 17.9239 17.9239 18.8547 18.8547 19.4260 19.4260 36.9732 36.9732 k = 0.1030 0.0595 0.1682 ( 997 PWs) bands (ev): -53.1008 -53.1008 -24.8353 -24.8353 -23.8831 -23.8831 -23.7841 -23.7841 11.6674 11.6674 17.0573 17.0573 17.8360 17.8360 17.9002 17.9002 18.8784 18.8784 19.4003 19.4003 37.0504 37.0504 k = 0.0989 0.0571 0.1615 ( 997 PWs) bands (ev): -53.1037 -53.1037 -24.8289 -24.8289 -23.8741 -23.8741 -23.7814 -23.7814 11.5886 11.5886 17.0884 17.0884 17.8235 17.8235 17.8782 17.8782 18.9019 18.9019 19.3776 19.3776 37.1187 37.1187 k = 0.0948 0.0547 0.1548 ( 997 PWs) bands (ev): -53.1064 -53.1064 -24.8227 -24.8227 -23.8652 -23.8652 -23.7788 -23.7788 11.5123 11.5123 17.1194 17.1194 17.8085 17.8085 17.8579 17.8579 18.9253 18.9253 19.3577 19.3577 37.1783 37.1783 k = 0.0907 0.0523 0.1480 ( 997 PWs) bands (ev): -53.1090 -53.1090 -24.8167 -24.8167 -23.8566 -23.8566 -23.7764 -23.7764 11.4386 11.4386 17.1499 17.1499 17.7915 17.7915 17.8389 17.8389 18.9484 18.9484 19.3404 19.3404 37.2292 37.2292 k = 0.0865 0.0500 0.1413 ( 997 PWs) bands (ev): -53.1116 -53.1116 -24.8109 -24.8109 -23.8481 -23.8481 -23.7740 -23.7740 11.3676 11.3676 17.1800 17.1800 17.7732 17.7732 17.8208 17.8208 18.9711 18.9711 19.3255 19.3255 37.2719 37.2719 k = 0.0824 0.0476 0.1346 ( 993 PWs) bands (ev): -53.1126 -53.1126 -24.8051 -24.8051 -23.8396 -23.8396 -23.7714 -23.7714 11.2997 11.2997 17.2141 17.2141 17.7581 17.7581 17.8049 17.8049 18.9951 18.9951 19.3168 19.3168 37.3084 37.3084 k = 0.0783 0.0452 0.1279 ( 993 PWs) bands (ev): -53.1149 -53.1149 -24.7998 -24.7998 -23.8316 -23.8316 -23.7693 -23.7693 11.2344 11.2344 17.2429 17.2429 17.7396 17.7396 17.7870 17.7870 19.0169 19.0169 19.3060 19.3060 37.3357 37.3357 k = 0.0742 0.0428 0.1211 ( 993 PWs) bands (ev): -53.1172 -53.1172 -24.7948 -24.7948 -23.8239 -23.8239 -23.7672 -23.7672 11.1720 11.1720 17.2710 17.2710 17.7214 17.7214 17.7692 17.7692 19.0382 19.0382 19.2970 19.2970 37.3563 37.3563 k = 0.0701 0.0404 0.1144 ( 993 PWs) bands (ev): -53.1193 -53.1193 -24.7900 -24.7900 -23.8165 -23.8165 -23.7653 -23.7653 11.1126 11.1126 17.2982 17.2982 17.7037 17.7037 17.7516 17.7516 19.0589 19.0589 19.2895 19.2895 37.3709 37.3709 k = 0.0659 0.0381 0.1077 ( 993 PWs) bands (ev): -53.1214 -53.1214 -24.7854 -24.7854 -23.8094 -23.8094 -23.7635 -23.7635 11.0563 11.0563 17.3245 17.3245 17.6866 17.6866 17.7342 17.7342 19.0788 19.0788 19.2833 19.2833 37.3801 37.3801 k = 0.0618 0.0357 0.1009 ( 989 PWs) bands (ev): -53.1218 -53.1218 -24.7809 -24.7809 -23.8023 -23.8023 -23.7615 -23.7615 11.0034 11.0034 17.3545 17.3545 17.6741 17.6741 17.7186 17.7186 19.1033 19.1033 19.2784 19.2784 37.3859 37.3859 k = 0.0577 0.0333 0.0942 ( 991 PWs) bands (ev): -53.1244 -53.1244 -24.7770 -24.7770 -23.7960 -23.7960 -23.7600 -23.7600 10.9531 10.9531 17.3737 17.3737 17.6583 17.6583 17.7016 17.7016 19.1216 19.1216 19.2726 19.2726 37.3855 37.3855 k = 0.0536 0.0309 0.0875 ( 991 PWs) bands (ev): -53.1260 -53.1260 -24.7732 -24.7732 -23.7899 -23.7899 -23.7585 -23.7585 10.9063 10.9063 17.3963 17.3963 17.6436 17.6436 17.6858 17.6858 19.1389 19.1389 19.2694 19.2694 37.3832 37.3832 k = 0.0495 0.0286 0.0808 ( 989 PWs) bands (ev): -53.1269 -53.1269 -24.7696 -24.7696 -23.7840 -23.7840 -23.7570 -23.7570 10.8629 10.8629 17.4176 17.4176 17.6298 17.6298 17.6710 17.6710 19.1620 19.1620 19.2693 19.2693 37.3785 37.3785 k = 0.0453 0.0262 0.0740 ( 989 PWs) bands (ev): -53.1283 -53.1283 -24.7664 -24.7664 -23.7787 -23.7787 -23.7557 -23.7557 10.8226 10.8226 17.4375 17.4375 17.6168 17.6168 17.6571 17.6571 19.1772 19.1772 19.2675 19.2675 37.3719 37.3719 k = 0.0412 0.0238 0.0673 ( 983 PWs) bands (ev): -53.1275 -53.1275 -24.7631 -24.7631 -23.7736 -23.7736 -23.7538 -23.7538 10.7861 10.7861 17.4582 17.4582 17.6100 17.6100 17.6480 17.6480 19.1980 19.1980 19.2729 19.2729 37.3642 37.3642 k = 0.0371 0.0214 0.0606 ( 983 PWs) bands (ev): -53.1287 -53.1287 -24.7604 -24.7604 -23.7691 -23.7691 -23.7527 -23.7527 10.7526 10.7526 17.4748 17.4748 17.5985 17.5985 17.6366 17.6366 19.2108 19.2108 19.2720 19.2720 37.3555 37.3555 k = 0.0330 0.0190 0.0538 ( 981 PWs) bands (ev): -53.1291 -53.1291 -24.7579 -24.7579 -23.7648 -23.7648 -23.7518 -23.7518 10.7228 10.7228 17.4897 17.4897 17.5906 17.5906 17.6288 17.6288 19.2230 19.2230 19.2738 19.2738 37.3466 37.3466 k = 0.0288 0.0167 0.0471 ( 977 PWs) bands (ev): -53.1286 -53.1286 -24.7556 -24.7556 -23.7609 -23.7609 -23.7507 -23.7507 10.6965 10.6965 17.5092 17.5092 17.5831 17.5831 17.6223 17.6223 19.2364 19.2364 19.2744 19.2744 37.3381 37.3381 k = 0.0247 0.0143 0.0404 ( 975 PWs) bands (ev): -53.1287 -53.1287 -24.7536 -24.7536 -23.7576 -23.7576 -23.7499 -23.7499 10.6736 10.6736 17.5255 17.5255 17.5757 17.5757 17.6160 17.6160 19.2455 19.2455 19.2746 19.2746 37.3298 37.3298 k = 0.0206 0.0119 0.0336 ( 967 PWs) bands (ev): -53.1265 -53.1265 -24.7516 -24.7516 -23.7540 -23.7540 -23.7490 -23.7490 10.6547 10.6547 17.5447 17.5447 17.5738 17.5738 17.6157 17.6157 19.2614 19.2614 19.2772 19.2772 37.3223 37.3223 k = 0.0165 0.0095 0.0269 ( 965 PWs) bands (ev): -53.1264 -53.1264 -24.7502 -24.7502 -23.7516 -23.7516 -23.7485 -23.7485 10.6389 10.6389 17.5515 17.5515 17.5705 17.5705 17.6140 17.6140 19.2677 19.2677 19.2792 19.2792 37.3156 37.3156 k = 0.0124 0.0071 0.0202 ( 965 PWs) bands (ev): -53.1269 -53.1269 -24.7492 -24.7492 -23.7499 -23.7499 -23.7481 -23.7481 10.6263 10.6263 17.5557 17.5557 17.5660 17.5660 17.6114 17.6114 19.2725 19.2725 19.2790 19.2790 37.3102 37.3102 k = 0.0082 0.0048 0.0135 ( 965 PWs) bands (ev): -53.1273 -53.1273 -24.7485 -24.7485 -23.7486 -23.7486 -23.7479 -23.7479 10.6174 10.6174 17.5583 17.5583 17.5627 17.5627 17.6101 17.6101 19.2761 19.2761 19.2789 19.2789 37.3062 37.3062 k = 0.0041 0.0024 0.0067 ( 965 PWs) bands (ev): -53.1275 -53.1275 -24.7481 -24.7481 -23.7479 -23.7479 -23.7477 -23.7477 10.6120 10.6120 17.5597 17.5597 17.5607 17.5607 17.6095 17.6095 19.2782 19.2782 19.2789 19.2789 37.3037 37.3037 k = 0.0000 0.0000 0.0000 ( 965 PWs) bands (ev): -53.1276 -53.1276 -24.7479 -24.7479 -23.7476 -23.7476 -23.7476 -23.7476 10.6103 10.6103 17.5601 17.5601 17.5601 17.5601 17.6093 17.6093 19.2789 19.2789 19.2789 19.2789 37.3029 37.3029 k = 0.0000 0.0000 0.0000 ( 965 PWs) bands (ev): -53.1276 -53.1276 -24.7479 -24.7479 -23.7476 -23.7476 -23.7476 -23.7476 10.6103 10.6103 17.5601 17.5601 17.5601 17.5601 17.6093 17.6093 19.2789 19.2789 19.2789 19.2789 37.3029 37.3029 k = 0.0068 0.0039 0.0028 ( 965 PWs) bands (ev): -53.1275 -53.1275 -24.7481 -24.7481 -23.7479 -23.7479 -23.7477 -23.7477 10.6121 10.6121 17.5597 17.5597 17.5607 17.5607 17.6095 17.6095 19.2785 19.2785 19.2785 19.2785 37.3037 37.3037 k = 0.0135 0.0078 0.0055 ( 965 PWs) bands (ev): -53.1273 -53.1273 -24.7485 -24.7485 -23.7487 -23.7487 -23.7478 -23.7478 10.6175 10.6175 17.5585 17.5585 17.5626 17.5626 17.6100 17.6100 19.2774 19.2774 19.2776 19.2776 37.3062 37.3062 k = 0.0203 0.0117 0.0083 ( 965 PWs) bands (ev): -53.1269 -53.1269 -24.7492 -24.7492 -23.7500 -23.7500 -23.7481 -23.7481 10.6265 10.6265 17.5562 17.5562 17.5656 17.5656 17.6113 17.6113 19.2756 19.2756 19.2759 19.2759 37.3102 37.3102 k = 0.0270 0.0156 0.0110 ( 965 PWs) bands (ev): -53.1264 -53.1264 -24.7502 -24.7502 -23.7518 -23.7518 -23.7484 -23.7484 10.6391 10.6391 17.5523 17.5523 17.5699 17.5699 17.6137 17.6137 19.2730 19.2730 19.2737 19.2737 37.3156 37.3156 k = 0.0338 0.0195 0.0138 ( 974 PWs) bands (ev): -53.1291 -53.1291 -24.7520 -24.7520 -23.7551 -23.7551 -23.7489 -23.7489 10.6545 10.6545 17.5290 17.5290 17.5732 17.5732 17.6136 17.6136 19.2642 19.2642 19.2651 19.2651 37.3217 37.3217 k = 0.0405 0.0234 0.0166 ( 977 PWs) bands (ev): -53.1294 -53.1294 -24.7538 -24.7538 -23.7582 -23.7582 -23.7496 -23.7496 10.6739 10.6739 17.5190 17.5190 17.5765 17.5765 17.6161 17.6161 19.2587 19.2587 19.2599 19.2599 37.3290 37.3290 k = 0.0473 0.0273 0.0193 ( 977 PWs) bands (ev): -53.1286 -53.1286 -24.7556 -24.7556 -23.7615 -23.7615 -23.7502 -23.7502 10.6972 10.6972 17.5087 17.5087 17.5842 17.5842 17.6232 17.6232 19.2540 19.2540 19.2558 19.2558 37.3367 37.3367 k = 0.0541 0.0312 0.0221 ( 977 PWs) bands (ev): -53.1276 -53.1276 -24.7578 -24.7578 -23.7653 -23.7653 -23.7509 -23.7509 10.7240 10.7240 17.4966 17.4966 17.5929 17.5929 17.6316 17.6316 19.2488 19.2488 19.2512 19.2512 37.3445 37.3445 k = 0.0608 0.0351 0.0248 ( 983 PWs) bands (ev): -53.1287 -53.1287 -24.7605 -24.7605 -23.7699 -23.7699 -23.7521 -23.7521 10.7538 10.7538 17.4825 17.4825 17.5975 17.5975 17.6363 17.6363 19.2358 19.2358 19.2388 19.2388 37.3517 37.3517 k = 0.0676 0.0390 0.0276 ( 980 PWs) bands (ev): -53.1263 -53.1263 -24.7631 -24.7631 -23.7743 -23.7743 -23.7529 -23.7529 10.7878 10.7878 17.4744 17.4744 17.6084 17.6084 17.6474 17.6474 19.2312 19.2312 19.2351 19.2351 37.3588 37.3588 k = 0.0743 0.0429 0.0303 ( 992 PWs) bands (ev): -53.1294 -53.1294 -24.7667 -24.7667 -23.7804 -23.7804 -23.7546 -23.7546 10.8240 10.8240 17.4510 17.4510 17.6053 17.6053 17.6445 17.6445 19.2192 19.2192 19.2237 19.2237 37.3623 37.3623 k = 0.0811 0.0468 0.0331 ( 992 PWs) bands (ev): -53.1280 -53.1280 -24.7700 -24.7700 -23.7860 -23.7860 -23.7556 -23.7556 10.8645 10.8645 17.4327 17.4327 17.6175 17.6175 17.6571 17.6571 19.2121 19.2121 19.2176 19.2176 37.3634 37.3634 k = 0.0878 0.0507 0.0359 ( 992 PWs) bands (ev): -53.1264 -53.1264 -24.7736 -24.7736 -23.7920 -23.7920 -23.7567 -23.7567 10.9083 10.9083 17.4131 17.4131 17.6304 17.6304 17.6706 17.6706 19.2049 19.2049 19.2114 19.2114 37.3602 37.3602 k = 0.0946 0.0546 0.0386 ( 992 PWs) bands (ev): -53.1247 -53.1247 -24.7774 -24.7774 -23.7984 -23.7984 -23.7579 -23.7579 10.9554 10.9554 17.3923 17.3923 17.6440 17.6440 17.6849 17.6849 19.1976 19.1976 19.2053 19.2053 37.3513 37.3513 k = 0.1014 0.0585 0.0414 ( 992 PWs) bands (ev): -53.1229 -53.1229 -24.7815 -24.7815 -23.8052 -23.8052 -23.7592 -23.7592 11.0057 11.0057 17.3706 17.3706 17.6580 17.6580 17.6999 17.6999 19.1904 19.1904 19.1993 19.1993 37.3348 37.3348 k = 0.1081 0.0624 0.0441 ( 995 PWs) bands (ev): -53.1221 -53.1221 -24.7860 -24.7860 -23.8125 -23.8125 -23.7607 -23.7607 11.0589 11.0589 17.3479 17.3479 17.6724 17.6724 17.7153 17.7153 19.1765 19.1765 19.1868 19.1868 37.3086 37.3086 k = 0.1149 0.0663 0.0469 ( 995 PWs) bands (ev): -53.1200 -53.1200 -24.7907 -24.7907 -23.8200 -23.8200 -23.7621 -23.7621 11.1154 11.1154 17.3244 17.3244 17.6871 17.6871 17.7311 17.7311 19.1697 19.1697 19.1815 19.1815 37.2701 37.2701 k = 0.1216 0.0702 0.0497 ( 995 PWs) bands (ev): -53.1179 -53.1179 -24.7956 -24.7956 -23.8278 -23.8278 -23.7636 -23.7636 11.1749 11.1749 17.3002 17.3002 17.7019 17.7019 17.7472 17.7472 19.1634 19.1634 19.1767 19.1767 37.2165 37.2165 k = 0.1284 0.0741 0.0524 ( 989 PWs) bands (ev): -53.1134 -53.1134 -24.8005 -24.8005 -23.8355 -23.8355 -23.7647 -23.7647 11.2379 11.2379 17.2759 17.2759 17.7240 17.7240 17.7707 17.7707 19.1619 19.1619 19.1769 19.1769 37.1454 37.1454 k = 0.1351 0.0780 0.0552 ( 989 PWs) bands (ev): -53.1111 -53.1111 -24.8059 -24.8059 -23.8439 -23.8439 -23.7663 -23.7663 11.3032 11.3032 17.2508 17.2508 17.7384 17.7384 17.7865 17.7865 19.1571 19.1571 19.1738 19.1738 37.0538 37.0538 k = 0.1419 0.0819 0.0579 ( 989 PWs) bands (ev): -53.1086 -53.1086 -24.8117 -24.8117 -23.8525 -23.8525 -23.7680 -23.7680 11.3712 11.3712 17.2253 17.2253 17.7524 17.7524 17.8020 17.8020 19.1534 19.1534 19.1718 19.1718 36.9405 36.9405 k = 0.1486 0.0858 0.0607 ( 989 PWs) bands (ev): -53.1061 -53.1061 -24.8176 -24.8176 -23.8613 -23.8613 -23.7697 -23.7697 11.4418 11.4418 17.1998 17.1998 17.7659 17.7659 17.8170 17.8170 19.1508 19.1508 19.1711 19.1711 36.8051 36.8051 k = 0.1554 0.0897 0.0634 ( 989 PWs) bands (ev): -53.1034 -53.1034 -24.8239 -24.8239 -23.8703 -23.8703 -23.7715 -23.7715 11.5150 11.5150 17.1742 17.1742 17.7787 17.7787 17.8313 17.8313 19.1497 19.1497 19.1718 19.1718 36.6488 36.6488 k = 0.1622 0.0936 0.0662 ( 989 PWs) bands (ev): -53.1007 -53.1007 -24.8303 -24.8303 -23.8796 -23.8796 -23.7733 -23.7733 11.5905 11.5905 17.1488 17.1488 17.7906 17.7906 17.8448 17.8448 19.1502 19.1502 19.1741 19.1741 36.4737 36.4737 k = 0.1689 0.0975 0.0690 ( 989 PWs) bands (ev): -53.0979 -53.0979 -24.8371 -24.8371 -23.8889 -23.8889 -23.7752 -23.7752 11.6683 11.6683 17.1237 17.1237 17.8014 17.8014 17.8572 17.8572 19.1525 19.1525 19.1782 19.1782 36.2826 36.2826 k = 0.1757 0.1014 0.0717 ( 989 PWs) bands (ev): -53.0950 -53.0950 -24.8440 -24.8440 -23.8984 -23.8984 -23.7771 -23.7771 11.7483 11.7483 17.0991 17.0991 17.8110 17.8110 17.8683 17.8683 19.1567 19.1567 19.1842 19.1842 36.0784 36.0784 k = 0.1824 0.1053 0.0745 ( 989 PWs) bands (ev): -53.0920 -53.0920 -24.8512 -24.8512 -23.9081 -23.9081 -23.7791 -23.7791 11.8302 11.8302 17.0752 17.0752 17.8193 17.8193 17.8780 17.8780 19.1631 19.1631 19.1923 19.1923 35.8637 35.8637 k = 0.1892 0.1092 0.0772 ( 995 PWs) bands (ev): -53.0912 -53.0912 -24.8589 -24.8589 -23.9180 -23.9180 -23.7817 -23.7817 11.9137 11.9137 17.0477 17.0477 17.8182 17.8182 17.8784 17.8784 19.1703 19.1703 19.2012 19.2012 35.6360 35.6360 k = 0.1959 0.1131 0.0800 ( 1001 PWs) bands (ev): -53.0904 -53.0904 -24.8669 -24.8669 -23.9284 -23.9284 -23.7838 -23.7838 11.9982 11.9982 17.0154 17.0154 17.8225 17.8225 17.8838 17.8838 19.1758 19.1758 19.2080 19.2080 35.4014 35.4014 k = 0.2027 0.1170 0.0828 ( 1001 PWs) bands (ev): -53.0873 -53.0873 -24.8747 -24.8747 -23.9382 -23.9382 -23.7859 -23.7859 12.0850 12.0850 16.9945 16.9945 17.8260 17.8260 17.8885 17.8885 19.1892 19.1892 19.2228 19.2228 35.1668 35.1668 k = 0.2095 0.1209 0.0855 ( 1001 PWs) bands (ev): -53.0842 -53.0842 -24.8828 -24.8828 -23.9480 -23.9480 -23.7880 -23.7880 12.1730 12.1730 16.9752 16.9752 17.8279 17.8279 17.8913 17.8913 19.2050 19.2050 19.2398 19.2398 34.9285 34.9285 k = 0.2162 0.1248 0.0883 ( 1001 PWs) bands (ev): -53.0810 -53.0810 -24.8909 -24.8909 -23.9578 -23.9578 -23.7901 -23.7901 12.2620 12.2620 16.9575 16.9575 17.8281 17.8281 17.8923 17.8923 19.2234 19.2234 19.2592 19.2592 34.6875 34.6875 k = 0.2230 0.1287 0.0910 ( 1001 PWs) bands (ev): -53.0777 -53.0777 -24.8993 -24.8993 -23.9676 -23.9676 -23.7922 -23.7922 12.3517 12.3517 16.9418 16.9418 17.8266 17.8266 17.8915 17.8915 19.2443 19.2443 19.2810 19.2810 34.4444 34.4444 k = 0.2297 0.1326 0.0938 ( 1001 PWs) bands (ev): -53.0745 -53.0745 -24.9078 -24.9078 -23.9773 -23.9773 -23.7944 -23.7944 12.4420 12.4420 16.9282 16.9282 17.8234 17.8234 17.8888 17.8888 19.2676 19.2676 19.3050 19.3050 34.2000 34.2000 k = 0.2365 0.1365 0.0965 ( 1001 PWs) bands (ev): -53.0712 -53.0712 -24.9165 -24.9165 -23.9870 -23.9870 -23.7965 -23.7965 12.5325 12.5325 16.9171 16.9171 17.8187 17.8187 17.8845 17.8845 19.2932 19.2932 19.3312 19.3312 33.9546 33.9546 k = 0.2432 0.1404 0.0993 ( 1001 PWs) bands (ev): -53.0678 -53.0678 -24.9253 -24.9253 -23.9966 -23.9966 -23.7987 -23.7987 12.6230 12.6230 16.9086 16.9086 17.8125 17.8125 17.8785 17.8785 19.3210 19.3210 19.3595 19.3595 33.7087 33.7087 k = 0.2500 0.1443 0.1021 ( 1001 PWs) bands (ev): -53.0645 -53.0645 -24.9342 -24.9342 -24.0060 -24.0060 -23.8008 -23.8008 12.7131 12.7131 16.9032 16.9032 17.8049 17.8049 17.8709 17.8709 19.3509 19.3509 19.3897 19.3897 33.4628 33.4628 k = 0.2568 0.1482 0.1048 ( 1001 PWs) bands (ev): -53.0611 -53.0611 -24.9432 -24.9432 -24.0154 -24.0154 -23.8030 -23.8030 12.8025 12.8025 16.9010 16.9010 17.7960 17.7960 17.8620 17.8620 19.3827 19.3827 19.4217 19.4217 33.2170 33.2170 k = 0.2635 0.1521 0.1076 ( 1007 PWs) bands (ev): -53.0600 -53.0600 -24.9526 -24.9526 -24.0250 -24.0250 -23.8056 -23.8056 12.8919 12.8919 16.9042 16.9042 17.7813 17.7813 17.8473 17.8473 19.4048 19.4048 19.4438 19.4438 32.9751 32.9751 k = 0.2703 0.1560 0.1103 ( 1007 PWs) bands (ev): -53.0568 -53.0568 -24.9618 -24.9618 -24.0341 -24.0341 -23.8078 -23.8078 12.9790 12.9790 16.9092 16.9092 17.7701 17.7701 17.8359 17.8359 19.4392 19.4392 19.4783 19.4783 32.7304 32.7304 k = 0.2770 0.1599 0.1131 ( 1010 PWs) bands (ev): -53.0547 -53.0547 -24.9712 -24.9712 -24.0433 -24.0433 -23.8100 -23.8100 13.0632 13.0632 16.9124 16.9124 17.7579 17.7579 17.8234 17.8234 19.4729 19.4729 19.5119 19.5119 32.4829 32.4829 k = 0.2838 0.1638 0.1159 ( 1010 PWs) bands (ev): -53.0515 -53.0515 -24.9804 -24.9804 -24.0520 -24.0520 -23.8121 -23.8121 13.1463 13.1463 16.9260 16.9260 17.7450 17.7450 17.8101 17.8101 19.5099 19.5099 19.5487 19.5487 32.2403 32.2403 k = 0.2905 0.1677 0.1186 ( 1011 PWs) bands (ev): -53.0487 -53.0487 -24.9898 -24.9898 -24.0606 -24.0606 -23.8142 -23.8142 13.2263 13.2263 16.9415 16.9415 17.7313 17.7313 17.7961 17.7961 19.5479 19.5479 19.5866 19.5866 31.9970 31.9970 k = 0.2973 0.1716 0.1214 ( 1011 PWs) bands (ev): -53.0455 -53.0455 -24.9990 -24.9990 -24.0689 -24.0689 -23.8163 -23.8163 13.3042 13.3042 16.9646 16.9646 17.7171 17.7171 17.7815 17.7815 19.5868 19.5868 19.6252 19.6252 31.7574 31.7574 k = 0.3041 0.1755 0.1241 ( 1008 PWs) bands (ev): -53.0412 -53.0412 -25.0079 -25.0079 -24.0768 -24.0768 -23.8183 -23.8183 13.3820 13.3820 16.9977 16.9977 17.7023 17.7023 17.7663 17.7663 19.6270 19.6270 19.6652 19.6652 31.5277 31.5277 k = 0.3108 0.1794 0.1269 ( 1008 PWs) bands (ev): -53.0382 -53.0382 -25.0172 -25.0172 -24.0847 -24.0847 -23.8202 -23.8202 13.4529 13.4529 17.0273 17.0273 17.6890 17.6890 17.7526 17.7526 19.6675 19.6675 19.7054 19.7054 31.2901 31.2901 k = 0.3176 0.1833 0.1296 ( 1008 PWs) bands (ev): -53.0353 -53.0353 -25.0262 -25.0262 -24.0924 -24.0924 -23.8222 -23.8222 13.5205 13.5205 17.0659 17.0659 17.6736 17.6736 17.7367 17.7367 19.7074 19.7074 19.7451 19.7451 31.0565 31.0565 k = 0.3243 0.1872 0.1324 ( 1008 PWs) bands (ev): -53.0324 -53.0324 -25.0352 -25.0352 -24.0998 -24.0998 -23.8242 -23.8242 13.5843 13.5843 17.1099 17.1099 17.6581 17.6581 17.7208 17.7208 19.7476 19.7476 19.7849 19.7849 30.8254 30.8254 k = 0.3311 0.1911 0.1352 ( 1008 PWs) bands (ev): -53.0295 -53.0295 -25.0440 -25.0440 -24.1070 -24.1070 -23.8261 -23.8261 13.6439 13.6439 17.1594 17.1594 17.6425 17.6425 17.7047 17.7047 19.7877 19.7877 19.8248 19.8248 30.5971 30.5971 k = 0.3378 0.1951 0.1379 ( 1008 PWs) bands (ev): -53.0267 -53.0267 -25.0527 -25.0527 -24.1139 -24.1139 -23.8279 -23.8279 13.6994 13.6994 17.2141 17.2141 17.6269 17.6269 17.6887 17.6887 19.8277 19.8277 19.8644 19.8644 30.3718 30.3718 k = 0.3446 0.1990 0.1407 ( 1008 PWs) bands (ev): -53.0240 -53.0240 -25.0613 -25.0613 -24.1206 -24.1206 -23.8297 -23.8297 13.7507 13.7507 17.2741 17.2741 17.6114 17.6114 17.6728 17.6728 19.8673 19.8673 19.9038 19.9038 30.1499 30.1499 k = 0.3514 0.2029 0.1434 ( 1008 PWs) bands (ev): -53.0213 -53.0213 -25.0696 -25.0696 -24.1270 -24.1270 -23.8315 -23.8315 13.7979 13.7979 17.3389 17.3389 17.5961 17.5961 17.6571 17.6571 19.9065 19.9065 19.9427 19.9427 29.9316 29.9316 k = 0.3581 0.2068 0.1462 ( 1008 PWs) bands (ev): -53.0187 -53.0187 -25.0778 -25.0778 -24.1331 -24.1331 -23.8332 -23.8332 13.8409 13.8409 17.4082 17.4082 17.5811 17.5811 17.6417 17.6417 19.9451 19.9451 19.9811 19.9811 29.7174 29.7174 k = 0.3649 0.2107 0.1490 ( 1014 PWs) bands (ev): -53.0185 -53.0185 -25.0861 -25.0861 -24.1394 -24.1394 -23.8352 -23.8352 13.8789 13.8789 17.4811 17.4811 17.5644 17.5644 17.6247 17.6247 19.9707 19.9707 20.0064 20.0064 29.5074 29.5074 k = 0.3716 0.2146 0.1517 ( 1014 PWs) bands (ev): -53.0161 -53.0161 -25.0938 -25.0938 -24.1450 -24.1450 -23.8367 -23.8367 13.9140 13.9140 17.5501 17.5501 17.5581 17.5581 17.6101 17.6101 20.0074 20.0074 20.0428 20.0428 29.3023 29.3023 k = 0.3784 0.2185 0.1545 ( 1017 PWs) bands (ev): -53.0150 -53.0150 -25.1015 -25.1015 -24.1505 -24.1505 -23.8384 -23.8384 13.9446 13.9446 17.5344 17.5344 17.5936 17.5936 17.6380 17.6380 20.0385 20.0385 20.0737 20.0737 29.1019 29.1019 k = 0.3851 0.2224 0.1572 ( 1017 PWs) bands (ev): -53.0128 -53.0128 -25.1086 -25.1086 -24.1555 -24.1555 -23.8399 -23.8399 13.9727 13.9727 17.5208 17.5208 17.5799 17.5799 17.7204 17.7204 20.0731 20.0731 20.1080 20.1080 28.9075 28.9075 k = 0.3919 0.2263 0.1600 ( 1017 PWs) bands (ev): -53.0107 -53.0107 -25.1155 -25.1155 -24.1603 -24.1603 -23.8412 -23.8412 13.9975 13.9975 17.5079 17.5079 17.5666 17.5666 17.8046 17.8046 20.1063 20.1063 20.1411 20.1411 28.7192 28.7192 k = 0.3986 0.2302 0.1627 ( 1017 PWs) bands (ev): -53.0087 -53.0087 -25.1220 -25.1220 -24.1647 -24.1647 -23.8426 -23.8426 14.0194 14.0194 17.4955 17.4955 17.5540 17.5540 17.8899 17.8899 20.1382 20.1382 20.1727 20.1727 28.5375 28.5375 k = 0.4054 0.2341 0.1655 ( 1017 PWs) bands (ev): -53.0067 -53.0067 -25.1282 -25.1282 -24.1689 -24.1689 -23.8438 -23.8438 14.0387 14.0387 17.4838 17.4838 17.5420 17.5420 17.9754 17.9754 20.1686 20.1686 20.2030 20.2030 28.3629 28.3629 k = 0.4122 0.2380 0.1683 ( 1023 PWs) bands (ev): -53.0072 -53.0072 -25.1343 -25.1343 -24.1732 -24.1732 -23.8455 -23.8455 14.0554 14.0554 17.4646 17.4646 17.5225 17.5225 18.0599 18.0599 20.1941 20.1941 20.2282 20.2282 28.1923 28.1923 k = 0.4189 0.2419 0.1710 ( 1023 PWs) bands (ev): -53.0055 -53.0055 -25.1398 -25.1398 -24.1768 -24.1768 -23.8466 -23.8466 14.0699 14.0699 17.4541 17.4541 17.5118 17.5118 18.1435 18.1435 20.2213 20.2213 20.2552 20.2552 28.0337 28.0337 k = 0.4257 0.2458 0.1738 ( 1023 PWs) bands (ev): -53.0040 -53.0040 -25.1448 -25.1448 -24.1801 -24.1801 -23.8476 -23.8476 14.0826 14.0826 17.4443 17.4443 17.5018 17.5018 18.2248 18.2248 20.2467 20.2467 20.2805 20.2805 27.8842 27.8842 k = 0.4324 0.2497 0.1765 ( 1023 PWs) bands (ev): -53.0025 -53.0025 -25.1495 -25.1495 -24.1831 -24.1831 -23.8485 -23.8485 14.0934 14.0934 17.4354 17.4354 17.4927 17.4927 18.3030 18.3030 20.2702 20.2702 20.3038 20.3038 27.7445 27.7445 k = 0.4392 0.2536 0.1793 ( 1026 PWs) bands (ev): -53.0024 -53.0024 -25.1540 -25.1540 -24.1861 -24.1861 -23.8495 -23.8495 14.1027 14.1027 17.4264 17.4264 17.4836 17.4836 18.3771 18.3771 20.2844 20.2844 20.3180 20.3180 27.6147 27.6147 k = 0.4459 0.2575 0.1821 ( 1026 PWs) bands (ev): -53.0012 -53.0012 -25.1579 -25.1579 -24.1885 -24.1885 -23.8503 -23.8503 14.1106 14.1106 17.4190 17.4190 17.4761 17.4761 18.4464 18.4464 20.3038 20.3038 20.3373 20.3373 27.4965 27.4965 k = 0.4527 0.2614 0.1848 ( 1026 PWs) bands (ev): -53.0001 -53.0001 -25.1613 -25.1613 -24.1907 -24.1907 -23.8510 -23.8510 14.1172 14.1172 17.4125 17.4125 17.4694 17.4694 18.5100 18.5100 20.3211 20.3211 20.3546 20.3546 27.3902 27.3902 k = 0.4595 0.2653 0.1876 ( 1020 PWs) bands (ev): -52.9969 -52.9969 -25.1640 -25.1640 -24.1922 -24.1922 -23.8511 -23.8511 14.1228 14.1228 17.4132 17.4132 17.4700 17.4700 18.5672 18.5672 20.3428 20.3428 20.3762 20.3762 27.2981 27.2981 k = 0.4662 0.2692 0.1903 ( 1020 PWs) bands (ev): -52.9961 -52.9961 -25.1665 -25.1665 -24.1938 -24.1938 -23.8516 -23.8516 14.1273 14.1273 17.4083 17.4083 17.4649 17.4649 18.6169 18.6169 20.3557 20.3557 20.3890 20.3890 27.2176 27.2176 k = 0.4730 0.2731 0.1931 ( 1020 PWs) bands (ev): -52.9954 -52.9954 -25.1686 -25.1686 -24.1951 -24.1951 -23.8520 -23.8520 14.1310 14.1310 17.4042 17.4042 17.4608 17.4608 18.6585 18.6585 20.3663 20.3663 20.3996 20.3996 27.1508 27.1508 k = 0.4797 0.2770 0.1958 ( 1008 PWs) bands (ev): -52.9903 -52.9903 -25.1690 -25.1690 -24.1953 -24.1953 -23.8522 -23.8522 14.1513 14.1513 17.4023 17.4023 17.4588 17.4588 18.6916 18.6916 20.3845 20.3845 20.4177 20.4177 27.1200 27.1200 k = 0.4865 0.2809 0.1986 ( 1008 PWs) bands (ev): -52.9900 -52.9900 -25.1702 -25.1702 -24.1960 -24.1960 -23.8524 -23.8524 14.1530 14.1530 17.4000 17.4000 17.4565 17.4565 18.7155 18.7155 20.3903 20.3903 20.4235 20.4235 27.0818 27.0818 k = 0.4932 0.2848 0.2014 ( 1008 PWs) bands (ev): -52.9898 -52.9898 -25.1709 -25.1709 -24.1965 -24.1965 -23.8525 -23.8525 14.1540 14.1540 17.3986 17.3986 17.4551 17.4551 18.7301 18.7301 20.3938 20.3938 20.4270 20.4270 27.0588 27.0588 k = 0.5000 0.2887 0.2041 ( 1008 PWs) bands (ev): -52.9897 -52.9897 -25.1711 -25.1711 -24.1966 -24.1966 -23.8526 -23.8526 14.1544 14.1544 17.3982 17.3982 17.4547 17.4547 18.7349 18.7349 20.3950 20.3950 20.4282 20.4282 27.0511 27.0511 k = 0.5000 0.2887 0.2041 ( 1008 PWs) bands (ev): -52.9897 -52.9897 -25.1711 -25.1711 -24.1966 -24.1966 -23.8526 -23.8526 14.1544 14.1544 17.3982 17.3982 17.4547 17.4547 18.7349 18.7349 20.3950 20.3950 20.4282 20.4282 27.0511 27.0511 k = 0.5024 0.2819 0.2080 ( 1008 PWs) bands (ev): -52.9897 -52.9897 -25.1711 -25.1711 -24.1967 -24.1967 -23.8527 -23.8527 14.1558 14.1558 17.3978 17.3978 17.4543 17.4543 18.7291 18.7291 20.3984 20.3984 20.4325 20.4325 27.0509 27.0509 k = 0.5047 0.2751 0.2118 ( 1008 PWs) bands (ev): -52.9896 -52.9896 -25.1710 -25.1710 -24.1969 -24.1969 -23.8533 -23.8533 14.1601 14.1601 17.3961 17.3961 17.4537 17.4537 18.7118 18.7118 20.4038 20.4038 20.4499 20.4499 27.0505 27.0505 k = 0.5071 0.2683 0.2157 ( 1008 PWs) bands (ev): -52.9894 -52.9894 -25.1708 -25.1708 -24.1972 -24.1972 -23.8541 -23.8541 14.1672 14.1672 17.3919 17.3919 17.4541 17.4541 18.6841 18.6841 20.4062 20.4062 20.4844 20.4844 27.0498 27.0498 k = 0.5094 0.2614 0.2195 ( 1014 PWs) bands (ev): -52.9913 -52.9913 -25.1708 -25.1708 -24.1981 -24.1981 -23.8558 -23.8558 14.1762 14.1762 17.3773 17.3773 17.4494 17.4494 18.6474 18.6474 20.4042 20.4042 20.5306 20.5306 27.0419 27.0419 k = 0.5118 0.2546 0.2234 ( 1016 PWs) bands (ev): -52.9918 -52.9918 -25.1706 -25.1706 -24.1988 -24.1988 -23.8575 -23.8575 14.1889 14.1889 17.3637 17.3637 17.4514 17.4514 18.6031 18.6031 20.4022 20.4022 20.5890 20.5890 27.0399 27.0399 k = 0.5142 0.2478 0.2272 ( 1012 PWs) bands (ev): -52.9900 -52.9900 -25.1702 -25.1702 -24.1993 -24.1993 -23.8590 -23.8590 14.2049 14.2049 17.3553 17.3553 17.4614 17.4614 18.5534 18.5534 20.4007 20.4007 20.6633 20.6633 27.0430 27.0430 k = 0.5165 0.2410 0.2311 ( 1011 PWs) bands (ev): -52.9892 -52.9892 -25.1697 -25.1697 -24.2001 -24.2001 -23.8611 -23.8611 14.2231 14.2231 17.3334 17.3334 17.4732 17.4732 18.5001 18.5001 20.3984 20.3984 20.7478 20.7478 27.0411 27.0411 k = 0.5189 0.2342 0.2349 ( 1011 PWs) bands (ev): -52.9887 -52.9887 -25.1693 -25.1693 -24.2011 -24.2011 -23.8636 -23.8636 14.2439 14.2439 17.3067 17.3067 17.4879 17.4879 18.4428 18.4428 20.3957 20.3957 20.8357 20.8357 27.0389 27.0389 k = 0.5212 0.2274 0.2388 ( 1013 PWs) bands (ev): -52.9889 -52.9889 -25.1690 -25.1690 -24.2024 -24.2024 -23.8664 -23.8664 14.2650 14.2650 17.2755 17.2755 17.5052 17.5052 18.3833 18.3833 20.3918 20.3918 20.9263 20.9263 27.0337 27.0337 k = 0.5236 0.2206 0.2426 ( 1011 PWs) bands (ev): -52.9876 -52.9876 -25.1683 -25.1683 -24.2035 -24.2035 -23.8693 -23.8693 14.2911 14.2911 17.2417 17.2417 17.5299 17.5299 18.3230 18.3230 20.3889 20.3889 21.0268 21.0268 27.0326 27.0326 k = 0.5259 0.2138 0.2465 ( 1009 PWs) bands (ev): -52.9862 -52.9862 -25.1678 -25.1678 -24.2048 -24.2048 -23.8723 -23.8723 14.3182 14.3182 17.2056 17.2056 17.5588 17.5588 18.2623 18.2623 20.3848 20.3848 21.1287 21.1287 27.0335 27.0335 k = 0.5283 0.2070 0.2503 ( 1009 PWs) bands (ev): -52.9855 -52.9855 -25.1672 -25.1672 -24.2063 -24.2063 -23.8759 -23.8759 14.3491 14.3491 17.1645 17.1645 17.5828 17.5828 18.2014 18.2014 20.3805 20.3805 21.2369 21.2369 27.0305 27.0305 k = 0.5307 0.2002 0.2542 ( 1009 PWs) bands (ev): -52.9847 -52.9847 -25.1666 -25.1666 -24.2079 -24.2079 -23.8798 -23.8798 14.3823 14.3823 17.1202 17.1202 17.6088 17.6088 18.1411 18.1411 20.3759 20.3759 21.3486 21.3486 27.0273 27.0273 k = 0.5330 0.1934 0.2580 ( 1013 PWs) bands (ev): -52.9854 -52.9854 -25.1663 -25.1663 -24.2099 -24.2099 -23.8840 -23.8840 14.4104 14.4104 17.0720 17.0720 17.6341 17.6341 18.0816 18.0816 20.3769 20.3769 21.4608 21.4608 27.0128 27.0128 k = 0.5354 0.1865 0.2619 ( 1015 PWs) bands (ev): -52.9853 -52.9853 -25.1656 -25.1656 -24.2119 -24.2119 -23.8886 -23.8886 14.4475 14.4475 17.0216 17.0216 17.6601 17.6601 18.0232 18.0232 20.3702 20.3702 21.5782 21.5782 27.0067 27.0067 k = 0.5377 0.1797 0.2657 ( 1015 PWs) bands (ev): -52.9844 -52.9844 -25.1649 -25.1649 -24.2138 -24.2138 -23.8931 -23.8931 14.4870 14.4870 16.9697 16.9697 17.6916 17.6916 17.9663 17.9663 20.3646 20.3646 21.6983 21.6983 27.0033 27.0033 k = 0.5401 0.1729 0.2696 ( 1013 PWs) bands (ev): -52.9827 -52.9827 -25.1641 -25.1641 -24.2157 -24.2157 -23.8977 -23.8977 14.5286 14.5286 16.9177 16.9177 17.7277 17.7277 17.9114 17.9114 20.3603 20.3603 21.8207 21.8207 27.0015 27.0015 k = 0.5425 0.1661 0.2734 ( 1013 PWs) bands (ev): -52.9817 -52.9817 -25.1634 -25.1634 -24.2178 -24.2178 -23.9026 -23.9026 14.5717 14.5717 16.8619 16.8619 17.7608 17.7608 17.8595 17.8595 20.3542 20.3542 21.9451 21.9451 26.9981 26.9981 k = 0.5448 0.1593 0.2773 ( 1013 PWs) bands (ev): -52.9807 -52.9807 -25.1627 -25.1627 -24.2199 -24.2199 -23.9077 -23.9077 14.6163 14.6163 16.8047 16.8047 17.7799 17.7799 17.8249 17.8249 20.3479 20.3479 22.0713 22.0713 26.9949 26.9949 k = 0.5472 0.1525 0.2812 ( 1013 PWs) bands (ev): -52.9796 -52.9796 -25.1620 -25.1620 -24.2222 -24.2222 -23.9129 -23.9129 14.6623 14.6623 16.7463 16.7463 17.7446 17.7446 17.8481 17.8481 20.3414 20.3414 22.1992 22.1992 26.9917 26.9917 k = 0.5495 0.1457 0.2850 ( 1013 PWs) bands (ev): -52.9785 -52.9785 -25.1613 -25.1613 -24.2245 -24.2245 -23.9182 -23.9182 14.7095 14.7095 16.6870 16.6870 17.6974 17.6974 17.8865 17.8865 20.3348 20.3348 22.3287 22.3287 26.9887 26.9887 k = 0.5519 0.1389 0.2889 ( 1014 PWs) bands (ev): -52.9777 -52.9777 -25.1606 -25.1606 -24.2269 -24.2269 -23.9238 -23.9238 14.7583 14.7583 16.6251 16.6251 17.6494 17.6494 17.9280 17.9280 20.3241 20.3241 22.4644 22.4644 26.9835 26.9835 k = 0.5542 0.1321 0.2927 ( 1014 PWs) bands (ev): -52.9765 -52.9765 -25.1600 -25.1600 -24.2293 -24.2293 -23.9293 -23.9293 14.8071 14.8071 16.5649 16.5649 17.6034 17.6034 17.9715 17.9715 20.3172 20.3172 22.5965 22.5965 26.9808 26.9808 k = 0.5566 0.1253 0.2966 ( 1016 PWs) bands (ev): -52.9761 -52.9761 -25.1595 -25.1595 -24.2318 -24.2318 -23.9351 -23.9351 14.8560 14.8560 16.5025 16.5025 17.5587 17.5587 18.0142 18.0142 20.3088 20.3088 22.7294 22.7294 26.9762 26.9762 k = 0.5590 0.1185 0.3004 ( 1012 PWs) bands (ev): -52.9733 -52.9733 -25.1587 -25.1587 -24.2340 -24.2340 -23.9404 -23.9404 14.9056 14.9056 16.4442 16.4442 17.5217 17.5217 18.0618 18.0618 20.3059 20.3059 22.8692 22.8692 26.9760 26.9760 k = 0.5613 0.1117 0.3043 ( 1014 PWs) bands (ev): -52.9728 -52.9728 -25.1583 -25.1583 -24.2366 -24.2366 -23.9463 -23.9463 14.9543 14.9543 16.3842 16.3842 17.4808 17.4808 18.1045 18.1045 20.2986 20.2986 23.0038 23.0038 26.9717 26.9717 k = 0.5637 0.1048 0.3081 ( 1014 PWs) bands (ev): -52.9716 -52.9716 -25.1579 -25.1579 -24.2391 -24.2391 -23.9519 -23.9519 15.0026 15.0026 16.3249 16.3249 17.4431 17.4431 18.1536 18.1536 20.2914 20.2914 23.1401 23.1401 26.9699 26.9699 k = 0.5660 0.0980 0.3120 ( 1014 PWs) bands (ev): -52.9703 -52.9703 -25.1575 -25.1575 -24.2416 -24.2416 -23.9575 -23.9575 15.0497 15.0497 16.2664 16.2664 17.4081 17.4081 18.2039 18.2039 20.2843 20.2843 23.2773 23.2773 26.9682 26.9682 k = 0.5684 0.0912 0.3158 ( 1014 PWs) bands (ev): -52.9690 -52.9690 -25.1572 -25.1572 -24.2441 -24.2441 -23.9631 -23.9631 15.0953 15.0953 16.2090 16.2090 17.3761 17.3761 18.2552 18.2552 20.2772 20.2772 23.4153 23.4153 26.9668 26.9668 k = 0.5708 0.0844 0.3197 ( 1014 PWs) bands (ev): -52.9677 -52.9677 -25.1570 -25.1570 -24.2466 -24.2466 -23.9686 -23.9686 15.1388 15.1388 16.1528 16.1528 17.3474 17.3474 18.3075 18.3075 20.2703 20.2703 23.5540 23.5540 26.9656 26.9656 k = 0.5731 0.0776 0.3235 ( 1014 PWs) bands (ev): -52.9665 -52.9665 -25.1568 -25.1568 -24.2490 -24.2490 -23.9742 -23.9742 15.1806 15.1806 16.0997 16.0997 17.3195 17.3195 18.3579 18.3579 20.2633 20.2633 23.7004 23.7004 26.9598 26.9598 k = 0.5755 0.0708 0.3274 ( 1014 PWs) bands (ev): -52.9652 -52.9652 -25.1568 -25.1568 -24.2514 -24.2514 -23.9796 -23.9796 15.2181 15.2181 16.0471 16.0471 17.2977 17.2977 18.4117 18.4117 20.2567 20.2567 23.8401 23.8401 26.9586 26.9586 k = 0.5778 0.0640 0.3312 ( 1016 PWs) bands (ev): -52.9648 -52.9648 -25.1570 -25.1570 -24.2540 -24.2540 -23.9849 -23.9849 15.2505 15.2505 15.9948 15.9948 17.2799 17.2799 18.4659 18.4659 20.2481 20.2481 23.9758 23.9758 26.9569 26.9569 k = 0.5802 0.0572 0.3351 ( 1016 PWs) bands (ev): -52.9635 -52.9635 -25.1571 -25.1571 -24.2563 -24.2563 -23.9900 -23.9900 15.2790 15.2790 15.9471 15.9471 17.2668 17.2668 18.5207 18.5207 20.2420 20.2420 24.1163 24.1163 26.9553 26.9553 k = 0.5825 0.0504 0.3389 ( 1016 PWs) bands (ev): -52.9623 -52.9623 -25.1573 -25.1573 -24.2585 -24.2585 -23.9950 -23.9950 15.3018 15.3018 15.9026 15.9026 17.2585 17.2585 18.5759 18.5759 20.2362 20.2362 24.2570 24.2570 26.9533 26.9533 k = 0.5849 0.0436 0.3428 ( 1016 PWs) bands (ev): -52.9611 -52.9611 -25.1576 -25.1576 -24.2607 -24.2607 -23.9998 -23.9998 15.3181 15.3181 15.8617 15.8617 17.2554 17.2554 18.6313 18.6313 20.2310 20.2310 24.3980 24.3980 26.9506 26.9506 k = 0.5873 0.0368 0.3466 ( 1018 PWs) bands (ev): -52.9606 -52.9606 -25.1581 -25.1581 -24.2630 -24.2630 -24.0046 -24.0046 15.3272 15.3272 15.8240 15.8240 17.2550 17.2550 18.6848 18.6848 20.2262 20.2262 24.5343 24.5343 26.9468 26.9468 k = 0.5896 0.0300 0.3505 ( 1019 PWs) bands (ev): -52.9598 -52.9598 -25.1586 -25.1586 -24.2651 -24.2651 -24.0092 -24.0092 15.3298 15.3298 15.7908 15.7908 17.2624 17.2624 18.7368 18.7368 20.2211 20.2211 24.6729 24.6729 26.9420 26.9420 k = 0.5920 0.0231 0.3543 ( 1017 PWs) bands (ev): -52.9579 -52.9579 -25.1591 -25.1591 -24.2669 -24.2669 -24.0133 -24.0133 15.3245 15.3245 15.7626 15.7626 17.2752 17.2752 18.7934 18.7934 20.2233 20.2233 24.8140 24.8140 26.9372 26.9372 k = 0.5943 0.0163 0.3582 ( 1017 PWs) bands (ev): -52.9568 -52.9568 -25.1597 -25.1597 -24.2687 -24.2687 -24.0174 -24.0174 15.3121 15.3121 15.7375 15.7375 17.2931 17.2931 18.8475 18.8475 20.2207 20.2207 24.9538 24.9538 26.9287 26.9287 k = 0.5967 0.0095 0.3620 ( 1015 PWs) bands (ev): -52.9550 -52.9550 -25.1603 -25.1603 -24.2703 -24.2703 -24.0212 -24.0212 15.2937 15.2937 15.7172 15.7172 17.3160 17.3160 18.9051 18.9051 20.2207 20.2207 25.0933 25.0933 26.9180 26.9180 k = 0.5991 0.0027 0.3659 ( 1015 PWs) bands (ev): -52.9540 -52.9540 -25.1610 -25.1610 -24.2718 -24.2718 -24.0250 -24.0250 15.2709 15.2709 15.6984 15.6984 17.3443 17.3443 18.9528 18.9528 20.2186 20.2186 25.2341 25.2341 26.9028 26.9028 k = 0.6014-0.0041 0.3697 ( 1015 PWs) bands (ev): -52.9530 -52.9530 -25.1619 -25.1619 -24.2733 -24.2733 -24.0284 -24.0284 15.2438 15.2438 15.6796 15.6796 17.3756 17.3756 19.0042 19.0042 20.2184 20.2184 25.3693 25.3693 26.8863 26.8863 k = 0.6038-0.0109 0.3736 ( 1017 PWs) bands (ev): -52.9529 -52.9529 -25.1629 -25.1629 -24.2748 -24.2748 -24.0317 -24.0317 15.2139 15.2139 15.6601 15.6601 17.4073 17.4073 19.0536 19.0536 20.2194 20.2194 25.4963 25.4963 26.8670 26.8670 k = 0.6061-0.0177 0.3774 ( 1013 PWs) bands (ev): -52.9505 -52.9505 -25.1635 -25.1635 -24.2756 -24.2756 -24.0348 -24.0348 15.1833 15.1833 15.6468 15.6468 17.4475 17.4475 19.1030 19.1030 20.2258 20.2258 25.6298 25.6298 26.8447 26.8447 k = 0.6085-0.0245 0.3813 ( 1013 PWs) bands (ev): -52.9498 -52.9498 -25.1645 -25.1645 -24.2767 -24.2767 -24.0375 -24.0375 15.1506 15.1506 15.6282 15.6282 17.4882 17.4882 19.1497 19.1497 20.2291 20.2291 25.7486 25.7486 26.8235 26.8235 k = 0.6108-0.0313 0.3851 ( 1015 PWs) bands (ev): -52.9498 -52.9498 -25.1656 -25.1656 -24.2778 -24.2778 -24.0400 -24.0400 15.1168 15.1168 15.6086 15.6086 17.5308 17.5308 19.1943 19.1943 20.2271 20.2271 25.8528 25.8528 26.8052 26.8052 k = 0.6132-0.0381 0.3890 ( 1013 PWs) bands (ev): -52.9484 -52.9484 -25.1665 -25.1665 -24.2784 -24.2784 -24.0421 -24.0421 15.0834 15.0834 15.5906 15.5906 17.5778 17.5778 19.2384 19.2384 20.2336 20.2336 25.9432 25.9432 26.7977 26.7977 k = 0.6156-0.0449 0.3928 ( 1013 PWs) bands (ev): -52.9478 -52.9478 -25.1675 -25.1675 -24.2791 -24.2791 -24.0441 -24.0441 15.0502 15.0502 15.5711 15.5711 17.6231 17.6231 19.2782 19.2782 20.2417 20.2417 26.0002 26.0002 26.8089 26.8089 k = 0.6179-0.0517 0.3967 ( 1013 PWs) bands (ev): -52.9473 -52.9473 -25.1685 -25.1685 -24.2796 -24.2796 -24.0457 -24.0457 15.0174 15.0174 15.5514 15.5514 17.6689 17.6689 19.3153 19.3153 20.2516 20.2516 26.0185 26.0185 26.8483 26.8483 k = 0.6203-0.0586 0.4005 ( 1013 PWs) bands (ev): -52.9469 -52.9469 -25.1695 -25.1695 -24.2800 -24.2800 -24.0471 -24.0471 14.9852 14.9852 15.5316 15.5316 17.7149 17.7149 19.3495 19.3495 20.2632 20.2632 25.9955 25.9955 26.9182 26.9182 k = 0.6226-0.0654 0.4044 ( 1013 PWs) bands (ev): -52.9465 -52.9465 -25.1705 -25.1705 -24.2802 -24.2802 -24.0483 -24.0483 14.9537 14.9537 15.5118 15.5118 17.7608 17.7608 19.3808 19.3808 20.2767 20.2767 25.9367 25.9367 27.0138 27.0138 k = 0.6250-0.0722 0.4082 ( 1011 PWs) bands (ev): -52.9454 -52.9454 -25.1712 -25.1712 -24.2801 -24.2801 -24.0491 -24.0491 14.9257 14.9257 15.4921 15.4921 17.8079 17.8079 19.4092 19.4092 20.2925 20.2925 25.8528 25.8528 27.1290 27.1290 k = 0.6250-0.0722 0.4082 ( 1011 PWs) bands (ev): -52.9454 -52.9454 -25.1712 -25.1712 -24.2801 -24.2801 -24.0491 -24.0491 14.9257 14.9257 15.4921 15.4921 17.8079 17.8079 19.4092 19.4092 20.2925 20.2925 25.8528 25.8528 27.1290 27.1290 k = 0.6210-0.0698 0.4148 ( 1012 PWs) bands (ev): -52.9457 -52.9457 -25.1712 -25.1712 -24.2801 -24.2801 -24.0494 -24.0494 14.9253 14.9253 15.4921 15.4921 17.8054 17.8054 19.4082 19.4082 20.2940 20.2940 25.8547 25.8547 27.1305 27.1305 k = 0.6169-0.0675 0.4214 ( 1014 PWs) bands (ev): -52.9464 -52.9464 -25.1713 -25.1713 -24.2801 -24.2801 -24.0498 -24.0498 14.9275 14.9275 15.4943 15.4943 17.7954 17.7954 19.4024 19.4024 20.2967 20.2967 25.8583 25.8583 27.1360 27.1360 k = 0.6129-0.0652 0.4280 ( 1014 PWs) bands (ev): -52.9464 -52.9464 -25.1713 -25.1713 -24.2799 -24.2799 -24.0504 -24.0504 14.9313 14.9313 15.4989 15.4989 17.7831 17.7831 19.3976 19.3976 20.3039 20.3039 25.8679 25.8679 27.1459 27.1459 k = 0.6089-0.0629 0.4346 ( 1016 PWs) bands (ev): -52.9471 -52.9471 -25.1713 -25.1713 -24.2797 -24.2797 -24.0513 -24.0513 14.9338 14.9338 15.5055 15.5055 17.7640 17.7640 19.3909 19.3909 20.3138 20.3138 25.8779 25.8779 27.1584 27.1584 k = 0.6048-0.0605 0.4412 ( 1012 PWs) bands (ev): -52.9454 -52.9454 -25.1710 -25.1710 -24.2792 -24.2792 -24.0519 -24.0519 14.9416 14.9416 15.5161 15.5161 17.7429 17.7429 19.3873 19.3873 20.3328 20.3328 25.8952 25.8952 27.1776 27.1776 k = 0.6008-0.0582 0.4478 ( 1012 PWs) bands (ev): -52.9453 -52.9453 -25.1709 -25.1709 -24.2787 -24.2787 -24.0533 -24.0533 14.9492 14.9492 15.5266 15.5266 17.7169 17.7169 19.3770 19.3770 20.3475 20.3475 25.9160 25.9160 27.1990 27.1990 k = 0.5968-0.0559 0.4543 ( 1010 PWs) bands (ev): -52.9444 -52.9444 -25.1706 -25.1706 -24.2780 -24.2780 -24.0547 -24.0547 14.9586 14.9586 15.5397 15.5397 17.6871 17.6871 19.3654 19.3654 20.3712 20.3712 25.9408 25.9408 27.2259 27.2259 k = 0.5927-0.0535 0.4609 ( 1010 PWs) bands (ev): -52.9443 -52.9443 -25.1705 -25.1705 -24.2773 -24.2773 -24.0564 -24.0564 14.9684 14.9684 15.5545 15.5545 17.6534 17.6534 19.3520 19.3520 20.3896 20.3896 25.9692 25.9692 27.2543 27.2543 k = 0.5887-0.0512 0.4675 ( 1014 PWs) bands (ev): -52.9456 -52.9456 -25.1705 -25.1705 -24.2768 -24.2768 -24.0586 -24.0586 14.9780 14.9780 15.5700 15.5700 17.6161 17.6161 19.3301 19.3301 20.4021 20.4021 26.0013 26.0013 27.2845 27.2845 k = 0.5847-0.0489 0.4741 ( 1016 PWs) bands (ev): -52.9462 -52.9462 -25.1704 -25.1704 -24.2760 -24.2760 -24.0610 -24.0610 14.9875 14.9875 15.5868 15.5868 17.5759 17.5759 19.3136 19.3136 20.4227 20.4227 26.0373 26.0373 27.3183 27.3183 k = 0.5806-0.0466 0.4807 ( 1016 PWs) bands (ev): -52.9460 -52.9460 -25.1702 -25.1702 -24.2751 -24.2751 -24.0633 -24.0633 14.9993 14.9993 15.6082 15.6082 17.5328 17.5328 19.2963 19.2963 20.4444 20.4444 26.0771 26.0771 27.3560 27.3560 k = 0.5766-0.0442 0.4873 ( 1010 PWs) bands (ev): -52.9435 -52.9435 -25.1697 -25.1697 -24.2739 -24.2739 -24.0651 -24.0651 15.0130 15.0130 15.6332 15.6332 17.4923 17.4923 19.2873 19.2873 20.4721 20.4721 26.1236 26.1236 27.3983 27.3983 k = 0.5726-0.0419 0.4938 ( 1010 PWs) bands (ev): -52.9433 -52.9433 -25.1694 -25.1694 -24.2729 -24.2729 -24.0676 -24.0676 15.0254 15.0254 15.6595 15.6595 17.4446 17.4446 19.2679 19.2679 20.4943 20.4943 26.1710 26.1710 27.4409 27.4409 k = 0.5685-0.0396 0.5004 ( 1012 PWs) bands (ev): -52.9439 -52.9439 -25.1693 -25.1693 -24.2720 -24.2720 -24.0704 -24.0704 15.0377 15.0377 15.6872 15.6872 17.3937 17.3937 19.2480 19.2480 20.5109 20.5109 26.2207 26.2207 27.4837 27.4837 k = 0.5645-0.0372 0.5070 ( 1012 PWs) bands (ev): -52.9437 -52.9437 -25.1691 -25.1691 -24.2709 -24.2709 -24.0731 -24.0731 15.0500 15.0500 15.7183 15.7183 17.3422 17.3422 19.2276 19.2276 20.5330 20.5330 26.2754 26.2754 27.5298 27.5298 k = 0.5605-0.0349 0.5136 ( 1012 PWs) bands (ev): -52.9434 -52.9434 -25.1689 -25.1689 -24.2699 -24.2699 -24.0758 -24.0758 15.0621 15.0621 15.7518 15.7518 17.2893 17.2893 19.2071 19.2071 20.5547 20.5547 26.3337 26.3337 27.5769 27.5769 k = 0.5565-0.0326 0.5202 ( 1014 PWs) bands (ev): -52.9440 -52.9440 -25.1687 -25.1687 -24.2688 -24.2688 -24.0789 -24.0789 15.0734 15.0734 15.7871 15.7871 17.2351 17.2351 19.1804 19.1804 20.5757 20.5757 26.3956 26.3956 27.6240 27.6240 k = 0.5524-0.0303 0.5268 ( 1014 PWs) bands (ev): -52.9437 -52.9437 -25.1685 -25.1685 -24.2677 -24.2677 -24.0816 -24.0816 15.0848 15.0848 15.8253 15.8253 17.1801 17.1801 19.1599 19.1599 20.5960 20.5960 26.4612 26.4612 27.6715 27.6715 k = 0.5484-0.0279 0.5334 ( 1024 PWs) bands (ev): -52.9473 -52.9473 -25.1688 -25.1688 -24.2673 -24.2673 -24.0850 -24.0850 15.0904 15.0904 15.8557 15.8557 17.1196 17.1196 19.1372 19.1372 20.6042 20.6042 26.5252 26.5252 27.7144 27.7144 k = 0.5444-0.0256 0.5399 ( 1024 PWs) bands (ev): -52.9471 -52.9471 -25.1686 -25.1686 -24.2663 -24.2663 -24.0876 -24.0876 15.1007 15.1007 15.8978 15.8978 17.0633 17.0633 19.1176 19.1176 20.6221 20.6221 26.5981 26.5981 27.7591 27.7591 k = 0.5403-0.0233 0.5465 ( 1024 PWs) bands (ev): -52.9469 -52.9469 -25.1685 -25.1685 -24.2653 -24.2653 -24.0902 -24.0902 15.1103 15.1103 15.9418 15.9418 17.0066 17.0066 19.0987 19.0987 20.6387 20.6387 26.6743 26.6743 27.8009 27.8009 k = 0.5363-0.0210 0.5531 ( 1024 PWs) bands (ev): -52.9467 -52.9467 -25.1683 -25.1683 -24.2644 -24.2644 -24.0926 -24.0926 15.1191 15.1191 15.9876 15.9876 16.9497 16.9497 19.0809 19.0809 20.6540 20.6540 26.7540 26.7540 27.8383 27.8383 k = 0.5323-0.0186 0.5597 ( 1030 PWs) bands (ev): -52.9488 -52.9488 -25.1685 -25.1685 -24.2639 -24.2639 -24.0952 -24.0952 15.1236 15.1236 16.0322 16.0322 16.8893 16.8893 19.0590 19.0590 20.6649 20.6649 26.8324 26.8324 27.8638 27.8638 k = 0.5282-0.0163 0.5663 ( 1028 PWs) bands (ev): -52.9478 -52.9478 -25.1682 -25.1682 -24.2630 -24.2630 -24.0972 -24.0972 15.1318 15.1318 16.0811 16.0811 16.8324 16.8324 19.0466 19.0466 20.6820 20.6820 26.9187 26.9187 27.8871 27.8871 k = 0.5242-0.0140 0.5729 ( 1027 PWs) bands (ev): -52.9473 -52.9473 -25.1681 -25.1681 -24.2623 -24.2623 -24.0989 -24.0989 15.1381 15.1381 16.1318 16.1318 16.7757 16.7757 19.0356 19.0356 20.6928 20.6928 27.0081 27.0081 27.9005 27.9005 k = 0.5202-0.0116 0.5794 ( 1027 PWs) bands (ev): -52.9471 -52.9471 -25.1680 -25.1680 -24.2617 -24.2617 -24.1005 -24.1005 15.1435 15.1435 16.1829 16.1829 16.7193 16.7193 19.0235 19.0235 20.7020 20.7020 27.1007 27.1007 27.9000 27.9000 k = 0.5161-0.0093 0.5860 ( 1035 PWs) bands (ev): -52.9500 -52.9500 -25.1683 -25.1683 -24.2617 -24.2617 -24.1025 -24.1025 15.1467 15.1467 16.2310 16.2310 16.6587 16.6587 19.0058 19.0058 20.6955 20.6955 27.1905 27.1905 27.8796 27.8796 k = 0.5121-0.0070 0.5926 ( 1036 PWs) bands (ev): -52.9503 -52.9503 -25.1683 -25.1683 -24.2613 -24.2613 -24.1037 -24.1037 15.1500 15.1500 16.2817 16.2817 16.6031 16.6031 18.9963 18.9963 20.7014 20.7014 27.2885 27.2885 27.8432 27.8432 k = 0.5081-0.0047 0.5992 ( 1036 PWs) bands (ev): -52.9503 -52.9503 -25.1683 -25.1683 -24.2610 -24.2610 -24.1045 -24.1045 15.1526 15.1526 16.3345 16.3345 16.5481 16.5481 18.9903 18.9903 20.7057 20.7057 27.3887 27.3887 27.7879 27.7879 k = 0.5040-0.0023 0.6058 ( 1036 PWs) bands (ev): -52.9503 -52.9503 -25.1683 -25.1683 -24.2609 -24.2609 -24.1050 -24.1050 15.1541 15.1541 16.3875 16.3875 16.4939 16.4939 18.9866 18.9866 20.7082 20.7082 27.4890 27.4890 27.7140 27.7140 k = 0.5000-0.0000 0.6124 ( 1036 PWs) bands (ev): -52.9503 -52.9503 -25.1683 -25.1683 -24.2608 -24.2608 -24.1051 -24.1051 15.1546 15.1546 16.4400 16.4400 16.4410 16.4410 18.9853 18.9853 20.7090 20.7090 27.5608 27.5608 27.6507 27.6507 k = 0.5000-0.0000 0.6124 ( 1036 PWs) bands (ev): -52.9503 -52.9503 -25.1683 -25.1683 -24.2608 -24.2608 -24.1051 -24.1051 15.1546 15.1546 16.4400 16.4400 16.4410 16.4410 18.9853 18.9853 20.7090 20.7090 27.5608 27.5608 27.6507 27.6507 k = 0.5000 0.0047 0.6057 ( 1036 PWs) bands (ev): -52.9503 -52.9503 -25.1682 -25.1682 -24.2609 -24.2609 -24.1049 -24.1049 15.1557 15.1557 16.4386 16.4386 16.4415 16.4415 18.9854 18.9854 20.7073 20.7073 27.5525 27.5525 27.6425 27.6425 k = 0.5000 0.0095 0.5990 ( 1036 PWs) bands (ev): -52.9504 -52.9504 -25.1681 -25.1681 -24.2610 -24.2610 -24.1043 -24.1043 15.1590 15.1590 16.4332 16.4332 16.4442 16.4442 18.9857 18.9857 20.7021 20.7021 27.5247 27.5247 27.6219 27.6219 k = 0.5000 0.0142 0.5923 ( 1036 PWs) bands (ev): -52.9505 -52.9505 -25.1679 -25.1679 -24.2612 -24.2612 -24.1033 -24.1033 15.1645 15.1645 16.4243 16.4243 16.4488 16.4488 18.9860 18.9860 20.6935 20.6935 27.4724 27.4724 27.5968 27.5968 k = 0.5000 0.0189 0.5856 ( 1032 PWs) bands (ev): -52.9492 -52.9492 -25.1675 -25.1675 -24.2611 -24.2611 -24.1017 -24.1017 15.1737 15.1737 16.4118 16.4118 16.4571 16.4571 18.9899 18.9899 20.6925 20.6925 27.3983 27.3983 27.5710 27.5710 k = 0.5000 0.0237 0.5789 ( 1030 PWs) bands (ev): -52.9487 -52.9487 -25.1670 -25.1670 -24.2613 -24.2613 -24.0998 -24.0998 15.1855 15.1855 16.3963 16.3963 16.4663 16.4663 18.9911 18.9911 20.6786 20.6786 27.3068 27.3068 27.5442 27.5442 k = 0.5000 0.0284 0.5722 ( 1030 PWs) bands (ev): -52.9491 -52.9491 -25.1667 -25.1667 -24.2617 -24.2617 -24.0976 -24.0976 15.1961 15.1961 16.3770 16.3770 16.4798 16.4798 18.9896 18.9896 20.6581 20.6581 27.2018 27.2018 27.5143 27.5143 k = 0.5000 0.0331 0.5655 ( 1026 PWs) bands (ev): -52.9480 -52.9480 -25.1660 -25.1660 -24.2619 -24.2619 -24.0948 -24.0948 15.2121 15.2121 16.3559 16.3559 16.4948 16.4948 18.9923 18.9923 20.6390 20.6390 27.0881 27.0881 27.4846 27.4846 k = 0.5000 0.0379 0.5588 ( 1026 PWs) bands (ev): -52.9485 -52.9485 -25.1655 -25.1655 -24.2623 -24.2623 -24.0919 -24.0919 15.2284 15.2284 16.3302 16.3302 16.5083 16.5083 18.9907 18.9907 20.6161 20.6161 26.9608 26.9608 27.4517 27.4517 k = 0.5000 0.0426 0.5521 ( 1026 PWs) bands (ev): -52.9491 -52.9491 -25.1650 -25.1650 -24.2626 -24.2626 -24.0888 -24.0888 15.2469 15.2469 16.3015 16.3015 16.5235 16.5235 18.9881 18.9881 20.5915 20.5915 26.8273 26.8273 27.4178 27.4178 k = 0.5000 0.0473 0.5454 ( 1022 PWs) bands (ev): -52.9482 -52.9482 -25.1642 -25.1642 -24.2628 -24.2628 -24.0850 -24.0850 15.2693 15.2693 16.2717 16.2717 16.5423 16.5423 18.9884 18.9884 20.5704 20.5704 26.6909 26.6909 27.3856 27.3856 k = 0.5000 0.0521 0.5388 ( 1022 PWs) bands (ev): -52.9488 -52.9488 -25.1636 -25.1636 -24.2631 -24.2631 -24.0813 -24.0813 15.2920 15.2920 16.2373 16.2373 16.5609 16.5609 18.9827 18.9827 20.5434 20.5434 26.5495 26.5495 27.3514 27.3514 k = 0.5000 0.0568 0.5321 ( 1022 PWs) bands (ev): -52.9496 -52.9496 -25.1630 -25.1630 -24.2633 -24.2633 -24.0773 -24.0773 15.3169 15.3169 16.2005 16.2005 16.5813 16.5813 18.9750 18.9750 20.5158 20.5158 26.4054 26.4054 27.3176 27.3176 k = 0.5000 0.0615 0.5254 ( 1020 PWs) bands (ev): -52.9496 -52.9496 -25.1623 -25.1623 -24.2633 -24.2633 -24.0730 -24.0730 15.3442 15.3442 16.1611 16.1611 16.6042 16.6042 18.9676 18.9676 20.4931 20.4931 26.2614 26.2614 27.2848 27.2848 k = 0.5000 0.0663 0.5187 ( 1020 PWs) bands (ev): -52.9504 -52.9504 -25.1617 -25.1617 -24.2634 -24.2634 -24.0686 -24.0686 15.3732 15.3732 16.1195 16.1195 16.6278 16.6278 18.9553 18.9553 20.4656 20.4656 26.1140 26.1140 27.2530 27.2530 k = 0.5000 0.0710 0.5120 ( 1020 PWs) bands (ev): -52.9512 -52.9512 -25.1610 -25.1610 -24.2634 -24.2634 -24.0640 -24.0640 15.4041 15.4041 16.0758 16.0758 16.6531 16.6531 18.9402 18.9402 20.4390 20.4390 25.9656 25.9656 27.2226 27.2226 k = 0.5000 0.0757 0.5053 ( 1022 PWs) bands (ev): -52.9529 -52.9529 -25.1605 -25.1605 -24.2634 -24.2634 -24.0592 -24.0592 15.4355 15.4355 16.0301 16.0301 16.6811 16.6811 18.9196 18.9196 20.4062 20.4062 25.8180 25.8180 27.1932 27.1932 k = 0.5000 0.0805 0.4986 ( 1022 PWs) bands (ev): -52.9539 -52.9539 -25.1599 -25.1599 -24.2631 -24.2631 -24.0543 -24.0543 15.4704 15.4704 15.9825 15.9825 16.7094 16.7094 18.8982 18.8982 20.3823 20.3823 25.6682 25.6682 27.1661 27.1661 k = 0.5000 0.0852 0.4919 ( 1022 PWs) bands (ev): -52.9549 -52.9549 -25.1594 -25.1594 -24.2627 -24.2627 -24.0491 -24.0491 15.5073 15.5073 15.9333 15.9333 16.7391 16.7391 18.8736 18.8736 20.3603 20.3603 25.5183 25.5183 27.1407 27.1407 k = 0.5000 0.0899 0.4852 ( 1020 PWs) bands (ev): -52.9551 -52.9551 -25.1588 -25.1588 -24.2621 -24.2621 -24.0435 -24.0435 15.5456 15.5456 15.8846 15.8846 16.7762 16.7762 18.8435 18.8435 20.3408 20.3408 25.3674 25.3674 27.1209 27.1209 k = 0.5000 0.0946 0.4785 ( 1020 PWs) bands (ev): -52.9562 -52.9562 -25.1583 -25.1583 -24.2614 -24.2614 -24.0381 -24.0381 15.5862 15.5862 15.8324 15.8324 16.8088 16.8088 18.8122 18.8122 20.3235 20.3235 25.2174 25.2174 27.0993 27.0993 k = 0.5000 0.0994 0.4718 ( 1020 PWs) bands (ev): -52.9573 -52.9573 -25.1578 -25.1578 -24.2605 -24.2605 -24.0326 -24.0326 15.6285 15.6285 15.7789 15.7789 16.8427 16.8427 18.7776 18.7776 20.3086 20.3086 25.0677 25.0677 27.0795 27.0795 k = 0.5000 0.1041 0.4651 ( 1020 PWs) bands (ev): -52.9584 -52.9584 -25.1574 -25.1574 -24.2595 -24.2595 -24.0270 -24.0270 15.6727 15.6727 15.7244 15.7244 16.8779 16.8779 18.7401 18.7401 20.2962 20.2962 24.9183 24.9183 27.0616 27.0616 k = 0.5000 0.1088 0.4584 ( 1026 PWs) bands (ev): -52.9619 -52.9619 -25.1574 -25.1574 -24.2588 -24.2588 -24.0215 -24.0215 15.6668 15.6668 15.7130 15.7130 16.9095 16.9095 18.6979 18.6979 20.2820 20.2820 24.7612 24.7612 27.0448 27.0448 k = 0.5000 0.1136 0.4518 ( 1024 PWs) bands (ev): -52.9623 -52.9623 -25.1571 -25.1571 -24.2575 -24.2575 -24.0155 -24.0155 15.6116 15.6116 15.7623 15.7623 16.9489 16.9489 18.6552 18.6552 20.2755 20.2755 24.6127 24.6127 27.0325 27.0325 k = 0.5000 0.1183 0.4451 ( 1024 PWs) bands (ev): -52.9635 -52.9635 -25.1569 -25.1569 -24.2560 -24.2560 -24.0096 -24.0096 15.5545 15.5545 15.8114 15.8114 16.9877 16.9877 18.6102 18.6102 20.2698 20.2698 24.4647 24.4647 27.0198 27.0198 k = 0.5000 0.1230 0.4384 ( 1024 PWs) bands (ev): -52.9648 -52.9648 -25.1567 -25.1567 -24.2545 -24.2545 -24.0036 -24.0036 15.4970 15.4970 15.8614 15.8614 17.0286 17.0286 18.5615 18.5615 20.2664 20.2664 24.3196 24.3196 27.0079 27.0079 k = 0.5000 0.1278 0.4317 ( 1024 PWs) bands (ev): -52.9660 -52.9660 -25.1567 -25.1567 -24.2528 -24.2528 -23.9976 -23.9976 15.4390 15.4390 15.9134 15.9134 17.0696 17.0696 18.5131 18.5131 20.2644 20.2644 24.1730 24.1730 26.9982 26.9982 k = 0.5000 0.1325 0.4250 ( 1026 PWs) bands (ev): -52.9680 -52.9680 -25.1567 -25.1567 -24.2511 -24.2511 -23.9918 -23.9918 15.3803 15.3803 15.9669 15.9669 17.1111 17.1111 18.4579 18.4579 20.2635 20.2635 24.0269 24.0269 26.9881 26.9881 k = 0.5000 0.1372 0.4183 ( 1026 PWs) bands (ev): -52.9693 -52.9693 -25.1568 -25.1568 -24.2492 -24.2492 -23.9858 -23.9858 15.3220 15.3220 16.0216 16.0216 17.1541 17.1541 18.4075 18.4075 20.2645 20.2645 23.8819 23.8819 26.9812 26.9812 k = 0.5000 0.1420 0.4116 ( 1034 PWs) bands (ev): -52.9736 -52.9736 -25.1574 -25.1574 -24.2478 -24.2478 -23.9801 -23.9801 15.2626 15.2626 16.0734 16.0734 17.1881 17.1881 18.3528 18.3528 20.2602 20.2602 23.7265 23.7265 26.9735 26.9735 k = 0.5000 0.1467 0.4049 ( 1034 PWs) bands (ev): -52.9749 -52.9749 -25.1576 -25.1576 -24.2458 -24.2458 -23.9740 -23.9740 15.2045 15.2045 16.1304 16.1304 17.2328 17.2328 18.3017 18.3017 20.2633 20.2633 23.5831 23.5831 26.9689 26.9689 k = 0.5000 0.1514 0.3982 ( 1026 PWs) bands (ev): -52.9732 -52.9732 -25.1575 -25.1575 -24.2431 -24.2431 -23.9674 -23.9674 15.1491 15.1491 16.1926 16.1926 17.2817 17.2817 18.2621 18.2621 20.2714 20.2714 23.4465 23.4465 26.9725 26.9725 k = 0.5000 0.1562 0.3915 ( 1026 PWs) bands (ev): -52.9745 -52.9745 -25.1579 -25.1579 -24.2409 -24.2409 -23.9613 -23.9613 15.0916 15.0916 16.2514 16.2514 17.3282 17.3282 18.2112 18.2112 20.2759 20.2759 23.3050 23.3050 26.9700 26.9700 k = 0.5000 0.1609 0.3848 ( 1026 PWs) bands (ev): -52.9758 -52.9758 -25.1583 -25.1583 -24.2387 -24.2387 -23.9552 -23.9552 15.0348 15.0348 16.3110 16.3110 17.3756 17.3756 18.1608 18.1608 20.2811 20.2811 23.1647 23.1647 26.9683 26.9683 k = 0.5000 0.1656 0.3781 ( 1028 PWs) bands (ev): -52.9778 -52.9778 -25.1588 -25.1588 -24.2366 -24.2366 -23.9493 -23.9493 14.9785 14.9785 16.3711 16.3711 17.4211 17.4211 18.1092 18.1092 20.2850 20.2850 23.0234 23.0234 26.9657 26.9657 k = 0.5000 0.1704 0.3714 ( 1022 PWs) bands (ev): -52.9768 -52.9768 -25.1588 -25.1588 -24.2338 -24.2338 -23.9433 -23.9433 14.9330 14.9330 16.4318 16.4318 17.4701 17.4701 18.0625 18.0625 20.2971 20.2971 22.8869 22.8869 26.9760 26.9760 k = 0.5000 0.1751 0.3647 ( 1020 PWs) bands (ev): -52.9773 -52.9773 -25.1594 -25.1594 -24.2314 -24.2314 -23.9371 -23.9371 14.8783 14.8783 16.4932 16.4932 17.5237 17.5237 18.0168 18.0168 20.3036 20.3036 22.7498 22.7498 26.9800 26.9800 k = 0.5000 0.1798 0.3581 ( 1020 PWs) bands (ev): -52.9786 -52.9786 -25.1600 -25.1600 -24.2291 -24.2291 -23.9313 -23.9313 14.8250 14.8250 16.5540 16.5540 17.5741 17.5741 17.9704 17.9704 20.3101 20.3101 22.6143 22.6143 26.9811 26.9811 k = 0.5000 0.1846 0.3514 ( 1020 PWs) bands (ev): -52.9798 -52.9798 -25.1606 -25.1606 -24.2268 -24.2268 -23.9256 -23.9256 14.7729 14.7729 16.6147 16.6147 17.6253 17.6253 17.9256 17.9256 20.3166 20.3166 22.4803 22.4803 26.9827 26.9827 k = 0.5000 0.1893 0.3447 ( 1018 PWs) bands (ev): -52.9802 -52.9802 -25.1612 -25.1612 -24.2245 -24.2245 -23.9198 -23.9198 14.7227 14.7227 16.6767 16.6767 17.6793 17.6793 17.8835 17.8835 20.3233 20.3233 22.3484 22.3484 26.9874 26.9874 k = 0.5000 0.1940 0.3380 ( 1016 PWs) bands (ev): -52.9806 -52.9806 -25.1618 -25.1618 -24.2221 -24.2221 -23.9142 -23.9142 14.6737 14.6737 16.7369 16.7369 17.7308 17.7308 17.8484 17.8484 20.3305 20.3305 22.2183 22.2183 26.9918 26.9918 k = 0.5000 0.1988 0.3313 ( 1018 PWs) bands (ev): -52.9825 -52.9825 -25.1627 -25.1627 -24.2201 -24.2201 -23.9089 -23.9089 14.6255 14.6255 16.7947 16.7947 17.7712 17.7712 17.8186 17.8186 20.3364 20.3364 22.0842 22.0842 26.9944 26.9944 k = 0.5000 0.2035 0.3246 ( 1018 PWs) bands (ev): -52.9836 -52.9836 -25.1634 -25.1634 -24.2180 -24.2180 -23.9038 -23.9038 14.5796 14.5796 16.8524 16.8524 17.7576 17.7576 17.8489 17.8489 20.3427 20.3427 21.9567 21.9567 26.9972 26.9972 k = 0.5000 0.2082 0.3179 ( 1018 PWs) bands (ev): -52.9846 -52.9846 -25.1641 -25.1641 -24.2159 -24.2159 -23.8987 -23.8987 14.5354 14.5354 16.9086 16.9086 17.7238 17.7238 17.9023 17.9023 20.3488 20.3488 21.8312 21.8312 27.0003 27.0003 k = 0.5000 0.2130 0.3112 ( 1018 PWs) bands (ev): -52.9856 -52.9856 -25.1649 -25.1649 -24.2139 -24.2139 -23.8939 -23.8939 14.4932 14.4932 16.9630 16.9630 17.6898 17.6898 17.9589 17.9589 20.3547 20.3547 21.7079 21.7079 27.0034 27.0034 k = 0.5000 0.2177 0.3045 ( 1018 PWs) bands (ev): -52.9865 -52.9865 -25.1656 -25.1656 -24.2120 -24.2120 -23.8893 -23.8893 14.4530 14.4530 17.0154 17.0154 17.6573 17.6573 18.0170 18.0170 20.3604 20.3604 21.5869 21.5869 27.0066 27.0066 k = 0.5000 0.2224 0.2978 ( 1018 PWs) bands (ev): -52.9873 -52.9873 -25.1663 -25.1663 -24.2102 -24.2102 -23.8849 -23.8849 14.4150 14.4150 17.0654 17.0654 17.6267 17.6267 18.0763 18.0763 20.3658 20.3658 21.4685 21.4685 27.0098 27.0098 k = 0.5000 0.2272 0.2911 ( 1018 PWs) bands (ev): -52.9881 -52.9881 -25.1670 -25.1670 -24.2085 -24.2085 -23.8807 -23.8807 14.3791 14.3791 17.1129 17.1129 17.5981 17.5981 18.1366 18.1366 20.3709 20.3709 21.3530 21.3530 27.0131 27.0131 k = 0.5000 0.2319 0.2844 ( 1016 PWs) bands (ev): -52.9881 -52.9881 -25.1675 -25.1675 -24.2068 -24.2068 -23.8766 -23.8766 14.3460 14.3460 17.1575 17.1575 17.5764 17.5764 18.1979 18.1979 20.3765 20.3765 21.2413 21.2413 27.0189 27.0189 k = 0.5000 0.2366 0.2777 ( 1010 PWs) bands (ev): -52.9866 -52.9866 -25.1677 -25.1677 -24.2049 -24.2049 -23.8728 -23.8728 14.3207 14.3207 17.2003 17.2003 17.5556 17.5556 18.2598 18.2598 20.3867 20.3867 21.1372 21.1372 27.0298 27.0298 k = 0.5000 0.2414 0.2711 ( 1010 PWs) bands (ev): -52.9872 -52.9872 -25.1683 -25.1683 -24.2035 -24.2035 -23.8694 -23.8694 14.2920 14.2920 17.2386 17.2386 17.5333 17.5333 18.3212 18.3212 20.3908 20.3908 21.0325 21.0325 27.0326 27.0326 k = 0.5000 0.2461 0.2644 ( 1010 PWs) bands (ev): -52.9878 -52.9878 -25.1688 -25.1688 -24.2022 -24.2022 -23.8663 -23.8663 14.2658 14.2658 17.2734 17.2734 17.5133 17.5133 18.3820 18.3820 20.3945 20.3945 20.9325 20.9325 27.0354 27.0354 k = 0.5000 0.2508 0.2577 ( 1010 PWs) bands (ev): -52.9882 -52.9882 -25.1693 -25.1693 -24.2011 -24.2011 -23.8635 -23.8635 14.2422 14.2422 17.3045 17.3045 17.4957 17.4957 18.4417 18.4417 20.3978 20.3978 20.8379 20.8379 27.0379 27.0379 k = 0.5000 0.2555 0.2510 ( 1010 PWs) bands (ev): -52.9887 -52.9887 -25.1697 -25.1697 -24.2001 -24.2001 -23.8610 -23.8610 14.2239 14.2239 17.3294 17.3294 17.4821 17.4821 18.4980 18.4980 20.3974 20.3974 20.7475 20.7475 27.0443 27.0443 k = 0.5000 0.2603 0.2443 ( 1016 PWs) bands (ev): -52.9914 -52.9914 -25.1703 -25.1703 -24.1996 -24.1996 -23.8594 -23.8594 14.2048 14.2048 17.3424 17.3424 17.4643 17.4643 18.5519 18.5519 20.3993 20.3993 20.6637 20.6637 27.0384 27.0384 k = 0.5000 0.2650 0.2376 ( 1012 PWs) bands (ev): -52.9903 -52.9903 -25.1705 -25.1705 -24.1986 -24.1986 -23.8572 -23.8572 14.1896 14.1896 17.3680 17.3680 17.4561 17.4561 18.6025 18.6025 20.4047 20.4047 20.5925 20.5925 27.0436 27.0436 k = 0.5000 0.2697 0.2309 ( 1012 PWs) bands (ev): -52.9906 -52.9906 -25.1708 -25.1708 -24.1980 -24.1980 -23.8557 -23.8557 14.1768 14.1768 17.3808 17.3808 17.4505 17.4505 18.6469 18.6469 20.4057 20.4057 20.5304 20.5304 27.0450 27.0450 k = 0.5000 0.2745 0.2242 ( 1008 PWs) bands (ev): -52.9894 -52.9894 -25.1708 -25.1708 -24.1972 -24.1972 -23.8541 -23.8541 14.1673 14.1673 17.3919 17.3919 17.4541 17.4541 18.6838 18.6838 20.4063 20.4063 20.4849 20.4849 27.0498 27.0498 k = 0.5000 0.2792 0.2175 ( 1008 PWs) bands (ev): -52.9896 -52.9896 -25.1710 -25.1710 -24.1969 -24.1969 -23.8533 -23.8533 14.1601 14.1601 17.3961 17.3961 17.4537 17.4537 18.7117 18.7117 20.4039 20.4039 20.4501 20.4501 27.0505 27.0505 k = 0.5000 0.2839 0.2108 ( 1008 PWs) bands (ev): -52.9897 -52.9897 -25.1711 -25.1711 -24.1967 -24.1967 -23.8527 -23.8527 14.1558 14.1558 17.3978 17.3978 17.4543 17.4543 18.7290 18.7290 20.3984 20.3984 20.4326 20.4326 27.0509 27.0509 k = 0.5000 0.2887 0.2041 ( 1008 PWs) bands (ev): -52.9897 -52.9897 -25.1711 -25.1711 -24.1966 -24.1966 -23.8526 -23.8526 14.1544 14.1544 17.3982 17.3982 17.4547 17.4547 18.7349 18.7349 20.3950 20.3950 20.4282 20.4282 27.0511 27.0511 k = 0.5000 0.2887 0.2041 ( 1008 PWs) bands (ev): -52.9897 -52.9897 -25.1711 -25.1711 -24.1966 -24.1966 -23.8526 -23.8526 14.1544 14.1544 17.3982 17.3982 17.4547 17.4547 18.7349 18.7349 20.3950 20.3950 20.4282 20.4282 27.0511 27.0511 k = 0.4976 0.2873 0.2118 ( 1008 PWs) bands (ev): -52.9897 -52.9897 -25.1711 -25.1711 -24.1967 -24.1967 -23.8527 -23.8527 14.1558 14.1558 17.3978 17.3978 17.4543 17.4543 18.7291 18.7291 20.3984 20.3984 20.4325 20.4325 27.0509 27.0509 k = 0.4953 0.2860 0.2195 ( 1008 PWs) bands (ev): -52.9896 -52.9896 -25.1710 -25.1710 -24.1969 -24.1969 -23.8533 -23.8533 14.1601 14.1601 17.3961 17.3961 17.4537 17.4537 18.7118 18.7118 20.4038 20.4038 20.4499 20.4499 27.0505 27.0505 k = 0.4929 0.2846 0.2272 ( 1008 PWs) bands (ev): -52.9894 -52.9894 -25.1708 -25.1708 -24.1972 -24.1972 -23.8541 -23.8541 14.1672 14.1672 17.3919 17.3919 17.4541 17.4541 18.6841 18.6841 20.4063 20.4063 20.4844 20.4844 27.0498 27.0498 k = 0.4906 0.2832 0.2349 ( 1014 PWs) bands (ev): -52.9913 -52.9913 -25.1708 -25.1708 -24.1981 -24.1981 -23.8558 -23.8558 14.1762 14.1762 17.3773 17.3773 17.4494 17.4494 18.6474 18.6474 20.4042 20.4042 20.5306 20.5306 27.0419 27.0419 k = 0.4882 0.2819 0.2426 ( 1016 PWs) bands (ev): -52.9918 -52.9918 -25.1706 -25.1706 -24.1988 -24.1988 -23.8575 -23.8575 14.1889 14.1889 17.3637 17.3637 17.4514 17.4514 18.6031 18.6031 20.4022 20.4022 20.5890 20.5890 27.0399 27.0399 k = 0.4858 0.2805 0.2503 ( 1012 PWs) bands (ev): -52.9900 -52.9900 -25.1702 -25.1702 -24.1993 -24.1993 -23.8590 -23.8590 14.2049 14.2049 17.3553 17.3553 17.4614 17.4614 18.5534 18.5534 20.4007 20.4007 20.6633 20.6633 27.0430 27.0430 k = 0.4835 0.2791 0.2580 ( 1011 PWs) bands (ev): -52.9892 -52.9892 -25.1697 -25.1697 -24.2001 -24.2001 -23.8611 -23.8611 14.2231 14.2231 17.3334 17.3334 17.4732 17.4732 18.5001 18.5001 20.3984 20.3984 20.7478 20.7478 27.0411 27.0411 k = 0.4811 0.2778 0.2657 ( 1011 PWs) bands (ev): -52.9887 -52.9887 -25.1693 -25.1693 -24.2011 -24.2011 -23.8636 -23.8636 14.2439 14.2439 17.3067 17.3067 17.4879 17.4879 18.4428 18.4428 20.3957 20.3957 20.8357 20.8357 27.0389 27.0389 k = 0.4788 0.2764 0.2734 ( 1013 PWs) bands (ev): -52.9889 -52.9889 -25.1690 -25.1690 -24.2024 -24.2024 -23.8664 -23.8664 14.2650 14.2650 17.2755 17.2755 17.5052 17.5052 18.3833 18.3833 20.3918 20.3918 20.9263 20.9263 27.0337 27.0337 k = 0.4764 0.2751 0.2812 ( 1011 PWs) bands (ev): -52.9876 -52.9876 -25.1683 -25.1683 -24.2035 -24.2035 -23.8693 -23.8693 14.2911 14.2911 17.2417 17.2417 17.5299 17.5299 18.3230 18.3230 20.3889 20.3889 21.0268 21.0268 27.0326 27.0326 k = 0.4741 0.2737 0.2889 ( 1009 PWs) bands (ev): -52.9862 -52.9862 -25.1678 -25.1678 -24.2048 -24.2048 -23.8723 -23.8723 14.3182 14.3182 17.2056 17.2056 17.5588 17.5588 18.2623 18.2623 20.3848 20.3848 21.1287 21.1287 27.0335 27.0335 k = 0.4717 0.2723 0.2966 ( 1009 PWs) bands (ev): -52.9855 -52.9855 -25.1672 -25.1672 -24.2063 -24.2063 -23.8759 -23.8759 14.3491 14.3491 17.1645 17.1645 17.5828 17.5828 18.2014 18.2014 20.3805 20.3805 21.2369 21.2369 27.0305 27.0305 k = 0.4693 0.2710 0.3043 ( 1009 PWs) bands (ev): -52.9847 -52.9847 -25.1666 -25.1666 -24.2079 -24.2079 -23.8798 -23.8798 14.3823 14.3823 17.1202 17.1202 17.6088 17.6088 18.1411 18.1411 20.3759 20.3759 21.3486 21.3486 27.0273 27.0273 k = 0.4670 0.2696 0.3120 ( 1013 PWs) bands (ev): -52.9854 -52.9854 -25.1663 -25.1663 -24.2099 -24.2099 -23.8840 -23.8840 14.4104 14.4104 17.0720 17.0720 17.6341 17.6341 18.0816 18.0816 20.3769 20.3769 21.4608 21.4608 27.0128 27.0128 k = 0.4646 0.2683 0.3197 ( 1015 PWs) bands (ev): -52.9853 -52.9853 -25.1656 -25.1656 -24.2119 -24.2119 -23.8886 -23.8886 14.4475 14.4475 17.0216 17.0216 17.6601 17.6601 18.0232 18.0232 20.3702 20.3702 21.5782 21.5782 27.0067 27.0067 k = 0.4623 0.2669 0.3274 ( 1015 PWs) bands (ev): -52.9844 -52.9844 -25.1649 -25.1649 -24.2138 -24.2138 -23.8931 -23.8931 14.4870 14.4870 16.9697 16.9697 17.6916 17.6916 17.9663 17.9663 20.3646 20.3646 21.6983 21.6983 27.0033 27.0033 k = 0.4599 0.2655 0.3351 ( 1013 PWs) bands (ev): -52.9827 -52.9827 -25.1641 -25.1641 -24.2157 -24.2157 -23.8977 -23.8977 14.5286 14.5286 16.9177 16.9177 17.7277 17.7277 17.9114 17.9114 20.3603 20.3603 21.8207 21.8207 27.0015 27.0015 k = 0.4575 0.2642 0.3428 ( 1013 PWs) bands (ev): -52.9817 -52.9817 -25.1634 -25.1634 -24.2178 -24.2178 -23.9026 -23.9026 14.5717 14.5717 16.8619 16.8619 17.7608 17.7608 17.8595 17.8595 20.3542 20.3542 21.9451 21.9451 26.9981 26.9981 k = 0.4552 0.2628 0.3505 ( 1013 PWs) bands (ev): -52.9807 -52.9807 -25.1627 -25.1627 -24.2199 -24.2199 -23.9077 -23.9077 14.6163 14.6163 16.8047 16.8047 17.7799 17.7799 17.8249 17.8249 20.3479 20.3479 22.0713 22.0713 26.9949 26.9949 k = 0.4528 0.2614 0.3582 ( 1013 PWs) bands (ev): -52.9796 -52.9796 -25.1620 -25.1620 -24.2222 -24.2222 -23.9129 -23.9129 14.6623 14.6623 16.7463 16.7463 17.7446 17.7446 17.8481 17.8481 20.3414 20.3414 22.1992 22.1992 26.9917 26.9917 k = 0.4505 0.2601 0.3659 ( 1013 PWs) bands (ev): -52.9785 -52.9785 -25.1613 -25.1613 -24.2245 -24.2245 -23.9182 -23.9182 14.7095 14.7095 16.6870 16.6870 17.6974 17.6974 17.8865 17.8865 20.3348 20.3348 22.3287 22.3287 26.9887 26.9887 k = 0.4481 0.2587 0.3736 ( 1014 PWs) bands (ev): -52.9777 -52.9777 -25.1606 -25.1606 -24.2269 -24.2269 -23.9238 -23.9238 14.7583 14.7583 16.6251 16.6251 17.6494 17.6494 17.9280 17.9280 20.3241 20.3241 22.4644 22.4644 26.9835 26.9835 k = 0.4458 0.2574 0.3813 ( 1014 PWs) bands (ev): -52.9765 -52.9765 -25.1600 -25.1600 -24.2293 -24.2293 -23.9293 -23.9293 14.8071 14.8071 16.5649 16.5649 17.6034 17.6034 17.9715 17.9715 20.3172 20.3172 22.5965 22.5965 26.9808 26.9808 k = 0.4434 0.2560 0.3890 ( 1016 PWs) bands (ev): -52.9761 -52.9761 -25.1595 -25.1595 -24.2318 -24.2318 -23.9351 -23.9351 14.8560 14.8560 16.5025 16.5025 17.5587 17.5587 18.0142 18.0142 20.3088 20.3088 22.7294 22.7294 26.9762 26.9762 k = 0.4410 0.2546 0.3967 ( 1012 PWs) bands (ev): -52.9733 -52.9733 -25.1587 -25.1587 -24.2340 -24.2340 -23.9404 -23.9404 14.9056 14.9056 16.4442 16.4442 17.5217 17.5217 18.0618 18.0618 20.3059 20.3059 22.8692 22.8692 26.9760 26.9760 k = 0.4387 0.2533 0.4044 ( 1014 PWs) bands (ev): -52.9728 -52.9728 -25.1583 -25.1583 -24.2366 -24.2366 -23.9463 -23.9463 14.9543 14.9543 16.3842 16.3842 17.4808 17.4808 18.1045 18.1045 20.2986 20.2986 23.0038 23.0038 26.9717 26.9717 k = 0.4363 0.2519 0.4121 ( 1014 PWs) bands (ev): -52.9716 -52.9716 -25.1579 -25.1579 -24.2391 -24.2391 -23.9519 -23.9519 15.0026 15.0026 16.3249 16.3249 17.4431 17.4431 18.1536 18.1536 20.2914 20.2914 23.1401 23.1401 26.9699 26.9699 k = 0.4340 0.2505 0.4198 ( 1014 PWs) bands (ev): -52.9703 -52.9703 -25.1575 -25.1575 -24.2416 -24.2416 -23.9575 -23.9575 15.0497 15.0497 16.2664 16.2664 17.4081 17.4081 18.2039 18.2039 20.2843 20.2843 23.2773 23.2773 26.9682 26.9682 k = 0.4316 0.2492 0.4275 ( 1014 PWs) bands (ev): -52.9690 -52.9690 -25.1572 -25.1572 -24.2441 -24.2441 -23.9631 -23.9631 15.0953 15.0953 16.2090 16.2090 17.3761 17.3761 18.2552 18.2552 20.2772 20.2772 23.4153 23.4153 26.9668 26.9668 k = 0.4292 0.2478 0.4352 ( 1014 PWs) bands (ev): -52.9677 -52.9677 -25.1570 -25.1570 -24.2466 -24.2466 -23.9686 -23.9686 15.1388 15.1388 16.1528 16.1528 17.3474 17.3474 18.3075 18.3075 20.2703 20.2703 23.5540 23.5540 26.9656 26.9656 k = 0.4269 0.2465 0.4429 ( 1014 PWs) bands (ev): -52.9665 -52.9665 -25.1568 -25.1568 -24.2490 -24.2490 -23.9742 -23.9742 15.1806 15.1806 16.0997 16.0997 17.3195 17.3195 18.3579 18.3579 20.2633 20.2633 23.7004 23.7004 26.9598 26.9598 k = 0.4245 0.2451 0.4506 ( 1014 PWs) bands (ev): -52.9652 -52.9652 -25.1568 -25.1568 -24.2514 -24.2514 -23.9796 -23.9796 15.2181 15.2181 16.0471 16.0471 17.2977 17.2977 18.4117 18.4117 20.2567 20.2567 23.8401 23.8401 26.9586 26.9586 k = 0.4222 0.2437 0.4583 ( 1016 PWs) bands (ev): -52.9648 -52.9648 -25.1570 -25.1570 -24.2540 -24.2540 -23.9849 -23.9849 15.2505 15.2505 15.9948 15.9948 17.2799 17.2799 18.4659 18.4659 20.2481 20.2481 23.9758 23.9758 26.9569 26.9569 k = 0.4198 0.2424 0.4660 ( 1016 PWs) bands (ev): -52.9635 -52.9635 -25.1571 -25.1571 -24.2563 -24.2563 -23.9900 -23.9900 15.2790 15.2790 15.9471 15.9471 17.2668 17.2668 18.5207 18.5207 20.2420 20.2420 24.1163 24.1163 26.9553 26.9553 k = 0.4175 0.2410 0.4737 ( 1016 PWs) bands (ev): -52.9623 -52.9623 -25.1573 -25.1573 -24.2585 -24.2585 -23.9950 -23.9950 15.3018 15.3018 15.9026 15.9026 17.2585 17.2585 18.5759 18.5759 20.2362 20.2362 24.2570 24.2570 26.9533 26.9533 k = 0.4151 0.2397 0.4814 ( 1016 PWs) bands (ev): -52.9611 -52.9611 -25.1576 -25.1576 -24.2607 -24.2607 -23.9998 -23.9998 15.3181 15.3181 15.8617 15.8617 17.2554 17.2554 18.6313 18.6313 20.2310 20.2310 24.3980 24.3980 26.9506 26.9506 k = 0.4127 0.2383 0.4891 ( 1018 PWs) bands (ev): -52.9606 -52.9606 -25.1581 -25.1581 -24.2630 -24.2630 -24.0046 -24.0046 15.3272 15.3272 15.8240 15.8240 17.2550 17.2550 18.6848 18.6848 20.2262 20.2262 24.5343 24.5343 26.9468 26.9468 k = 0.4104 0.2369 0.4968 ( 1019 PWs) bands (ev): -52.9598 -52.9598 -25.1586 -25.1586 -24.2651 -24.2651 -24.0092 -24.0092 15.3298 15.3298 15.7908 15.7908 17.2624 17.2624 18.7368 18.7368 20.2211 20.2211 24.6729 24.6729 26.9420 26.9420 k = 0.4080 0.2356 0.5045 ( 1017 PWs) bands (ev): -52.9579 -52.9579 -25.1591 -25.1591 -24.2669 -24.2669 -24.0133 -24.0133 15.3245 15.3245 15.7626 15.7626 17.2752 17.2752 18.7934 18.7934 20.2233 20.2233 24.8140 24.8140 26.9372 26.9372 k = 0.4057 0.2342 0.5122 ( 1017 PWs) bands (ev): -52.9568 -52.9568 -25.1597 -25.1597 -24.2687 -24.2687 -24.0174 -24.0174 15.3121 15.3121 15.7375 15.7375 17.2931 17.2931 18.8475 18.8475 20.2207 20.2207 24.9538 24.9538 26.9287 26.9287 k = 0.4033 0.2328 0.5199 ( 1015 PWs) bands (ev): -52.9550 -52.9550 -25.1603 -25.1603 -24.2703 -24.2703 -24.0212 -24.0212 15.2937 15.2937 15.7172 15.7172 17.3160 17.3160 18.9051 18.9051 20.2207 20.2207 25.0933 25.0933 26.9180 26.9180 k = 0.4009 0.2315 0.5276 ( 1015 PWs) bands (ev): -52.9540 -52.9540 -25.1610 -25.1610 -24.2718 -24.2718 -24.0250 -24.0250 15.2709 15.2709 15.6984 15.6984 17.3443 17.3443 18.9528 18.9528 20.2186 20.2186 25.2341 25.2341 26.9028 26.9028 k = 0.3986 0.2301 0.5353 ( 1015 PWs) bands (ev): -52.9530 -52.9530 -25.1619 -25.1619 -24.2733 -24.2733 -24.0284 -24.0284 15.2438 15.2438 15.6796 15.6796 17.3756 17.3756 19.0042 19.0042 20.2184 20.2184 25.3693 25.3693 26.8863 26.8863 k = 0.3962 0.2288 0.5430 ( 1017 PWs) bands (ev): -52.9529 -52.9529 -25.1629 -25.1629 -24.2748 -24.2748 -24.0317 -24.0317 15.2139 15.2139 15.6601 15.6601 17.4073 17.4073 19.0536 19.0536 20.2194 20.2194 25.4963 25.4963 26.8670 26.8670 k = 0.3939 0.2274 0.5508 ( 1013 PWs) bands (ev): -52.9505 -52.9505 -25.1635 -25.1635 -24.2756 -24.2756 -24.0348 -24.0348 15.1833 15.1833 15.6468 15.6468 17.4475 17.4475 19.1030 19.1030 20.2258 20.2258 25.6298 25.6298 26.8447 26.8447 k = 0.3915 0.2260 0.5585 ( 1013 PWs) bands (ev): -52.9498 -52.9498 -25.1645 -25.1645 -24.2767 -24.2767 -24.0375 -24.0375 15.1506 15.1506 15.6282 15.6282 17.4882 17.4882 19.1497 19.1497 20.2291 20.2291 25.7486 25.7486 26.8235 26.8235 k = 0.3892 0.2247 0.5662 ( 1015 PWs) bands (ev): -52.9498 -52.9498 -25.1656 -25.1656 -24.2778 -24.2778 -24.0400 -24.0400 15.1168 15.1168 15.6086 15.6086 17.5308 17.5308 19.1943 19.1943 20.2271 20.2271 25.8528 25.8528 26.8052 26.8052 k = 0.3868 0.2233 0.5739 ( 1013 PWs) bands (ev): -52.9484 -52.9484 -25.1665 -25.1665 -24.2784 -24.2784 -24.0421 -24.0421 15.0834 15.0834 15.5906 15.5906 17.5778 17.5778 19.2384 19.2384 20.2336 20.2336 25.9432 25.9432 26.7977 26.7977 k = 0.3844 0.2220 0.5816 ( 1013 PWs) bands (ev): -52.9478 -52.9478 -25.1675 -25.1675 -24.2791 -24.2791 -24.0441 -24.0441 15.0502 15.0502 15.5711 15.5711 17.6231 17.6231 19.2782 19.2782 20.2417 20.2417 26.0002 26.0002 26.8089 26.8089 k = 0.3821 0.2206 0.5893 ( 1013 PWs) bands (ev): -52.9473 -52.9473 -25.1685 -25.1685 -24.2796 -24.2796 -24.0457 -24.0457 15.0174 15.0174 15.5514 15.5514 17.6689 17.6689 19.3153 19.3153 20.2516 20.2516 26.0185 26.0185 26.8483 26.8483 k = 0.3797 0.2192 0.5970 ( 1013 PWs) bands (ev): -52.9469 -52.9469 -25.1695 -25.1695 -24.2800 -24.2800 -24.0471 -24.0471 14.9852 14.9852 15.5316 15.5316 17.7149 17.7149 19.3495 19.3495 20.2632 20.2632 25.9955 25.9955 26.9182 26.9182 k = 0.3774 0.2179 0.6047 ( 1013 PWs) bands (ev): -52.9465 -52.9465 -25.1705 -25.1705 -24.2802 -24.2802 -24.0483 -24.0483 14.9537 14.9537 15.5118 15.5118 17.7608 17.7608 19.3808 19.3808 20.2767 20.2767 25.9367 25.9367 27.0138 27.0138 k = 0.3750 0.2165 0.6124 ( 1011 PWs) bands (ev): -52.9454 -52.9454 -25.1712 -25.1712 -24.2801 -24.2801 -24.0491 -24.0491 14.9257 14.9257 15.4921 15.4921 17.8079 17.8079 19.4092 19.4092 20.2925 20.2925 25.8528 25.8528 27.1290 27.1290 k = 0.6250-0.0722 0.4082 ( 1011 PWs) bands (ev): -52.9454 -52.9454 -25.1712 -25.1712 -24.2801 -24.2801 -24.0491 -24.0491 14.9257 14.9257 15.4921 15.4921 17.8079 17.8079 19.4092 19.4092 20.2925 20.2925 25.8528 25.8528 27.1290 27.1290 k = 0.6210-0.0792 0.4082 ( 1015 PWs) bands (ev): -52.9464 -52.9464 -25.1729 -25.1729 -24.2804 -24.2804 -24.0504 -24.0504 14.8744 14.8744 15.4574 15.4574 17.8803 17.8803 19.4491 19.4491 20.3166 20.3166 25.6810 25.6810 27.3349 27.3349 k = 0.6169-0.0861 0.4082 ( 1015 PWs) bands (ev): -52.9460 -52.9460 -25.1744 -25.1744 -24.2804 -24.2804 -24.0514 -24.0514 14.8240 14.8240 15.4232 15.4232 17.9601 17.9601 19.4950 19.4950 20.3428 20.3428 25.5144 25.5144 27.5432 27.5432 k = 0.6129-0.0931 0.4082 ( 1015 PWs) bands (ev): -52.9456 -52.9456 -25.1758 -25.1758 -24.2803 -24.2803 -24.0520 -24.0520 14.7744 14.7744 15.3885 15.3885 18.0418 18.0418 19.5410 19.5410 20.3683 20.3683 25.3487 25.3487 27.7523 27.7523 k = 0.6089-0.1001 0.4082 ( 1015 PWs) bands (ev): -52.9453 -52.9453 -25.1772 -25.1772 -24.2802 -24.2802 -24.0525 -24.0525 14.7257 14.7257 15.3538 15.3538 18.1255 18.1255 19.5870 19.5870 20.3930 20.3930 25.1840 25.1840 27.9620 27.9620 k = 0.6048-0.1071 0.4082 ( 1015 PWs) bands (ev): -52.9450 -52.9450 -25.1787 -25.1787 -24.2801 -24.2801 -24.0527 -24.0527 14.6779 14.6779 15.3190 15.3190 18.2112 18.2112 19.6328 19.6328 20.4169 20.4169 25.0204 25.0204 28.1717 28.1717 k = 0.6008-0.1141 0.4082 ( 1015 PWs) bands (ev): -52.9447 -52.9447 -25.1801 -25.1801 -24.2800 -24.2800 -24.0527 -24.0527 14.6312 14.6312 15.2845 15.2845 18.2989 18.2989 19.6785 19.6785 20.4400 20.4400 24.8577 24.8577 28.3807 28.3807 k = 0.5968-0.1211 0.4082 ( 1019 PWs) bands (ev): -52.9459 -52.9459 -25.1818 -25.1818 -24.2802 -24.2802 -24.0527 -24.0527 14.5851 14.5851 15.2489 15.2489 18.3804 18.3804 19.7210 19.7210 20.4603 20.4603 24.6904 24.6904 28.5874 28.5874 k = 0.5927-0.1280 0.4082 ( 1019 PWs) bands (ev): -52.9457 -52.9457 -25.1832 -25.1832 -24.2802 -24.2802 -24.0523 -24.0523 14.5405 14.5405 15.2152 15.2152 18.4716 18.4716 19.7658 19.7658 20.4817 20.4817 24.5298 24.5298 28.7919 28.7919 k = 0.5887-0.1350 0.4082 ( 1019 PWs) bands (ev): -52.9455 -52.9455 -25.1845 -25.1845 -24.2802 -24.2802 -24.0517 -24.0517 14.4972 14.4972 15.1821 15.1821 18.5648 18.5648 19.8099 19.8099 20.5023 20.5023 24.3704 24.3704 28.9914 28.9914 k = 0.5847-0.1420 0.4082 ( 1019 PWs) bands (ev): -52.9453 -52.9453 -25.1859 -25.1859 -24.2802 -24.2802 -24.0509 -24.0509 14.4551 14.4551 15.1498 15.1498 18.6597 18.6597 19.8534 19.8534 20.5220 20.5220 24.2122 24.2122 29.1831 29.1831 k = 0.5806-0.1490 0.4082 ( 1023 PWs) bands (ev): -52.9467 -52.9467 -25.1874 -25.1874 -24.2805 -24.2805 -24.0503 -24.0503 14.4138 14.4138 15.1154 15.1154 18.7552 18.7552 19.8872 19.8872 20.5404 20.5404 24.0542 24.0542 29.3561 29.3561 k = 0.5766-0.1560 0.4082 ( 1023 PWs) bands (ev): -52.9466 -52.9466 -25.1887 -25.1887 -24.2806 -24.2806 -24.0492 -24.0492 14.3745 14.3745 15.0850 15.0850 18.8536 18.8536 19.9287 19.9287 20.5585 20.5585 23.8984 23.8984 29.5153 29.5153 k = 0.5726-0.1630 0.4082 ( 1015 PWs) bands (ev): -52.9435 -52.9435 -25.1895 -25.1895 -24.2802 -24.2802 -24.0475 -24.0475 14.3390 14.3390 15.0573 15.0573 18.9617 18.9617 19.9838 19.9838 20.5767 20.5767 23.7529 23.7529 29.6502 29.6502 k = 0.5685-0.1699 0.4082 ( 1013 PWs) bands (ev): -52.9426 -52.9426 -25.1907 -25.1907 -24.2802 -24.2802 -24.0461 -24.0461 14.3029 14.3029 15.0331 15.0331 19.0642 19.0642 20.0228 20.0228 20.5930 20.5930 23.6000 23.6000 29.7541 29.7541 k = 0.5645-0.1769 0.4082 ( 1013 PWs) bands (ev): -52.9426 -52.9426 -25.1919 -25.1919 -24.2804 -24.2804 -24.0448 -24.0448 14.2681 14.2681 15.0061 15.0061 19.1676 19.1676 20.0604 20.0604 20.6084 20.6084 23.4478 23.4478 29.8246 29.8246 k = 0.5605-0.1839 0.4082 ( 1017 PWs) bands (ev): -52.9441 -52.9441 -25.1933 -25.1933 -24.2809 -24.2809 -24.0434 -24.0434 14.2300 14.2300 14.9805 14.9805 19.2688 19.2688 20.0960 20.0960 20.6185 20.6185 23.2957 23.2957 29.8654 29.8654 k = 0.5565-0.1909 0.4082 ( 1017 PWs) bands (ev): -52.9441 -52.9441 -25.1944 -25.1944 -24.2811 -24.2811 -24.0420 -24.0420 14.1987 14.1987 14.9563 14.9563 19.3752 19.3752 20.1306 20.1306 20.6321 20.6321 23.1465 23.1465 29.8974 29.8974 k = 0.5524-0.1979 0.4082 ( 1013 PWs) bands (ev): -52.9426 -52.9426 -25.1953 -25.1953 -24.2811 -24.2811 -24.0402 -24.0402 14.1702 14.1702 14.9408 14.9408 19.4833 19.4833 20.1646 20.1646 20.6448 20.6448 22.9992 22.9992 29.9261 29.9261 k = 0.5484-0.2049 0.4082 ( 1013 PWs) bands (ev): -52.9426 -52.9426 -25.1963 -25.1963 -24.2814 -24.2814 -24.0388 -24.0388 14.1426 14.1426 14.9194 14.9194 19.5923 19.5923 20.1956 20.1956 20.6566 20.6566 22.8533 22.8533 29.9417 29.9417 k = 0.5444-0.2119 0.4082 ( 1013 PWs) bands (ev): -52.9426 -52.9426 -25.1972 -25.1972 -24.2817 -24.2817 -24.0374 -24.0374 14.1169 14.1169 14.8995 14.8995 19.7025 19.7025 20.2247 20.2247 20.6675 20.6675 22.7092 22.7092 29.9533 29.9533 k = 0.5403-0.2188 0.4082 ( 1013 PWs) bands (ev): -52.9426 -52.9426 -25.1981 -25.1981 -24.2819 -24.2819 -24.0361 -24.0361 14.0933 14.0933 14.8813 14.8813 19.8135 19.8135 20.2517 20.2517 20.6776 20.6776 22.5671 22.5671 29.9621 29.9621 k = 0.5363-0.2258 0.4082 ( 1013 PWs) bands (ev): -52.9426 -52.9426 -25.1989 -25.1989 -24.2822 -24.2822 -24.0348 -24.0348 14.0717 14.0717 14.8647 14.8647 19.9252 19.9252 20.2766 20.2766 20.6867 20.6867 22.4274 22.4274 29.9688 29.9688 k = 0.5323-0.2328 0.4082 ( 1013 PWs) bands (ev): -52.9426 -52.9426 -25.1996 -25.1996 -24.2824 -24.2824 -24.0336 -24.0336 14.0523 14.0523 14.8498 14.8498 20.0370 20.0370 20.2993 20.2993 20.6949 20.6949 22.2903 22.2903 29.9742 29.9742 k = 0.5282-0.2398 0.4082 ( 1013 PWs) bands (ev): -52.9426 -52.9426 -25.2002 -25.2002 -24.2826 -24.2826 -24.0325 -24.0325 14.0351 14.0351 14.8366 14.8366 20.1482 20.1482 20.3201 20.3201 20.7023 20.7023 22.1564 22.1564 29.9784 29.9784 k = 0.5242-0.2468 0.4082 ( 1013 PWs) bands (ev): -52.9425 -52.9425 -25.2008 -25.2008 -24.2828 -24.2828 -24.0315 -24.0315 14.0200 14.0200 14.8251 14.8251 20.2568 20.2568 20.3400 20.3400 20.7088 20.7088 22.0264 22.0264 29.9818 29.9818 k = 0.5202-0.2538 0.4082 ( 1015 PWs) bands (ev): -52.9433 -52.9433 -25.2013 -25.2013 -24.2831 -24.2831 -24.0308 -24.0308 14.0072 14.0072 14.8134 14.8134 20.3377 20.3377 20.3774 20.3774 20.7144 20.7144 21.9005 21.9005 29.9839 29.9839 k = 0.5161-0.2607 0.4082 ( 1015 PWs) bands (ev): -52.9432 -52.9432 -25.2017 -25.2017 -24.2833 -24.2833 -24.0301 -24.0301 13.9968 13.9968 14.8054 14.8054 20.3599 20.3599 20.4712 20.4712 20.7194 20.7194 21.7834 21.7834 29.9860 29.9860 k = 0.5121-0.2677 0.4082 ( 1015 PWs) bands (ev): -52.9432 -52.9432 -25.2020 -25.2020 -24.2834 -24.2834 -24.0295 -24.0295 13.9886 13.9886 14.7992 14.7992 20.3711 20.3711 20.5646 20.5646 20.7241 20.7241 21.6773 21.6773 29.9876 29.9876 k = 0.5081-0.2747 0.4082 ( 1015 PWs) bands (ev): -52.9431 -52.9431 -25.2023 -25.2023 -24.2835 -24.2835 -24.0291 -24.0291 13.9828 13.9828 14.7948 14.7948 20.3787 20.3787 20.6426 20.6426 20.7298 20.7298 21.5887 21.5887 29.9887 29.9887 k = 0.5040-0.2817 0.4082 ( 1015 PWs) bands (ev): -52.9431 -52.9431 -25.2024 -25.2024 -24.2835 -24.2835 -24.0289 -24.0289 13.9793 13.9793 14.7921 14.7921 20.3833 20.3833 20.6907 20.6907 20.7403 20.7403 21.5274 21.5274 29.9895 29.9895 k = 0.5000-0.2887 0.4082 ( 998 PWs) bands (ev): -52.9366 -52.9366 -25.2014 -25.2014 -24.2824 -24.2824 -24.0278 -24.0278 13.9834 13.9834 14.7950 14.7950 20.4072 20.4072 20.7275 20.7275 20.7733 20.7733 21.5059 21.5059 30.0010 30.0010 Writing output data file Cr.save init_run : 0.08s CPU 0.23s WALL ( 1 calls) electrons : 32.98s CPU 35.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.00s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 32.96s CPU 35.90s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 564 calls) cegterg : 29.77s CPU 30.62s WALL ( 566 calls) Called by sum_band: Called by *egterg: h_psi : 12.57s CPU 13.21s WALL ( 7387 calls) g_psi : 0.03s CPU 0.03s WALL ( 6257 calls) cdiaghg : 17.06s CPU 17.39s WALL ( 6821 calls) cegterg:over : 0.76s CPU 0.87s WALL ( 6257 calls) cegterg:upda : 0.74s CPU 0.68s WALL ( 6257 calls) cegterg:last : 0.18s CPU 0.24s WALL ( 1130 calls) cdiaghg:chol : 0.94s CPU 0.89s WALL ( 6821 calls) cdiaghg:inve : 0.12s CPU 0.18s WALL ( 6821 calls) cdiaghg:para : 1.26s CPU 1.21s WALL ( 13642 calls) Called by h_psi: h_psi:vloc : 11.59s CPU 12.21s WALL ( 7387 calls) h_psi:vnl : 0.96s CPU 0.98s WALL ( 7387 calls) add_vuspsi : 0.56s CPU 0.52s WALL ( 7387 calls) General routines calbec : 0.38s CPU 0.45s WALL ( 7387 calls) fft : 0.00s CPU 0.00s WALL ( 13 calls) fftw : 11.09s CPU 11.66s WALL ( 361940 calls) davcio : 0.10s CPU 0.10s WALL ( 1128 calls) Parallel routines fft_scatter : 6.32s CPU 6.50s WALL ( 361953 calls) PWSCF : 0m40.52s CPU 1m10.93s WALL This run was terminated on: 17:36:10 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=