Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55:26 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: ./Ni.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 10 7 2 135 78 14 Max 11 8 3 139 86 17 Sum 379 265 85 4909 2891 537 Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 4.8305 a.u. unit-cell volume = 79.7006 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 10.00 number of Kohn-Sham states= 18 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 4.830501 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 Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ni 10.00 58.69340 Ni( 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= 573 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017452 k( 2) = ( 0.0057471 -0.0033181 0.0046925), wk = 0.0017452 k( 3) = ( 0.0114942 -0.0066362 0.0093850), wk = 0.0017452 k( 4) = ( 0.0172414 -0.0099543 0.0140775), wk = 0.0017452 k( 5) = ( 0.0229885 -0.0132724 0.0187700), wk = 0.0017452 k( 6) = ( 0.0287356 -0.0165905 0.0234625), wk = 0.0017452 k( 7) = ( 0.0344828 -0.0199086 0.0281551), wk = 0.0017452 k( 8) = ( 0.0402299 -0.0232267 0.0328476), wk = 0.0017452 k( 9) = ( 0.0459770 -0.0265448 0.0375401), wk = 0.0017452 k( 10) = ( 0.0517241 -0.0298629 0.0422326), wk = 0.0017452 k( 11) = ( 0.0574713 -0.0331810 0.0469251), wk = 0.0017452 k( 12) = ( 0.0632184 -0.0364992 0.0516176), wk = 0.0017452 k( 13) = ( 0.0689655 -0.0398173 0.0563101), wk = 0.0017452 k( 14) = ( 0.0747126 -0.0431354 0.0610026), wk = 0.0017452 k( 15) = ( 0.0804598 -0.0464535 0.0656951), wk = 0.0017452 k( 16) = ( 0.0862069 -0.0497716 0.0703876), wk = 0.0017452 k( 17) = ( 0.0919540 -0.0530897 0.0750801), wk = 0.0017452 k( 18) = ( 0.0977012 -0.0564078 0.0797727), wk = 0.0017452 k( 19) = ( 0.1034483 -0.0597259 0.0844652), wk = 0.0017452 k( 20) = ( 0.1091954 -0.0630440 0.0891577), wk = 0.0017452 k( 21) = ( 0.1149425 -0.0663621 0.0938502), wk = 0.0017452 k( 22) = ( 0.1206897 -0.0696802 0.0985427), wk = 0.0017452 k( 23) = ( 0.1264368 -0.0729983 0.1032352), wk = 0.0017452 k( 24) = ( 0.1321839 -0.0763164 0.1079277), wk = 0.0017452 k( 25) = ( 0.1379310 -0.0796345 0.1126202), wk = 0.0017452 k( 26) = ( 0.1436782 -0.0829526 0.1173127), wk = 0.0017452 k( 27) = ( 0.1494253 -0.0862707 0.1220052), wk = 0.0017452 k( 28) = ( 0.1551724 -0.0895888 0.1266977), wk = 0.0017452 k( 29) = ( 0.1609195 -0.0929069 0.1313903), wk = 0.0017452 k( 30) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0017452 k( 31) = ( 0.1724138 -0.0995431 0.1407753), wk = 0.0017452 k( 32) = ( 0.1781609 -0.1028613 0.1454678), wk = 0.0017452 k( 33) = ( 0.1839080 -0.1061794 0.1501603), wk = 0.0017452 k( 34) = ( 0.1896552 -0.1094975 0.1548528), wk = 0.0017452 k( 35) = ( 0.1954023 -0.1128156 0.1595453), wk = 0.0017452 k( 36) = ( 0.2011494 -0.1161337 0.1642378), wk = 0.0017452 k( 37) = ( 0.2068966 -0.1194518 0.1689303), wk = 0.0017452 k( 38) = ( 0.2126437 -0.1227699 0.1736228), wk = 0.0017452 k( 39) = ( 0.2183908 -0.1260880 0.1783153), wk = 0.0017452 k( 40) = ( 0.2241379 -0.1294061 0.1830079), wk = 0.0017452 k( 41) = ( 0.2298851 -0.1327242 0.1877004), wk = 0.0017452 k( 42) = ( 0.2356322 -0.1360423 0.1923929), wk = 0.0017452 k( 43) = ( 0.2413793 -0.1393604 0.1970854), wk = 0.0017452 k( 44) = ( 0.2471264 -0.1426785 0.2017779), wk = 0.0017452 k( 45) = ( 0.2528736 -0.1459966 0.2064704), wk = 0.0017452 k( 46) = ( 0.2586207 -0.1493147 0.2111629), wk = 0.0017452 k( 47) = ( 0.2643678 -0.1526328 0.2158554), wk = 0.0017452 k( 48) = ( 0.2701149 -0.1559509 0.2205479), wk = 0.0017452 k( 49) = ( 0.2758621 -0.1592690 0.2252404), wk = 0.0017452 k( 50) = ( 0.2816092 -0.1625871 0.2299329), wk = 0.0017452 k( 51) = ( 0.2873563 -0.1659052 0.2346255), wk = 0.0017452 k( 52) = ( 0.2931034 -0.1692234 0.2393180), wk = 0.0017452 k( 53) = ( 0.2988506 -0.1725415 0.2440105), wk = 0.0017452 k( 54) = ( 0.3045977 -0.1758596 0.2487030), wk = 0.0017452 k( 55) = ( 0.3103448 -0.1791777 0.2533955), wk = 0.0017452 k( 56) = ( 0.3160920 -0.1824958 0.2580880), wk = 0.0017452 k( 57) = ( 0.3218391 -0.1858139 0.2627805), wk = 0.0017452 k( 58) = ( 0.3275862 -0.1891320 0.2674730), wk = 0.0017452 k( 59) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0017452 k( 60) = ( 0.3390805 -0.1957682 0.2768580), wk = 0.0017452 k( 61) = ( 0.3448276 -0.1990863 0.2815505), wk = 0.0017452 k( 62) = ( 0.3505747 -0.2024044 0.2862431), wk = 0.0017452 k( 63) = ( 0.3563218 -0.2057225 0.2909356), wk = 0.0017452 k( 64) = ( 0.3620690 -0.2090406 0.2956281), wk = 0.0017452 k( 65) = ( 0.3678161 -0.2123587 0.3003206), wk = 0.0017452 k( 66) = ( 0.3735632 -0.2156768 0.3050131), wk = 0.0017452 k( 67) = ( 0.3793103 -0.2189949 0.3097056), wk = 0.0017452 k( 68) = ( 0.3850575 -0.2223130 0.3143981), wk = 0.0017452 k( 69) = ( 0.3908046 -0.2256311 0.3190906), wk = 0.0017452 k( 70) = ( 0.3965517 -0.2289492 0.3237831), wk = 0.0017452 k( 71) = ( 0.4022988 -0.2322673 0.3284756), wk = 0.0017452 k( 72) = ( 0.4080460 -0.2355855 0.3331681), wk = 0.0017452 k( 73) = ( 0.4137931 -0.2389036 0.3378607), wk = 0.0017452 k( 74) = ( 0.4195402 -0.2422217 0.3425532), wk = 0.0017452 k( 75) = ( 0.4252874 -0.2455398 0.3472457), wk = 0.0017452 k( 76) = ( 0.4310345 -0.2488579 0.3519382), wk = 0.0017452 k( 77) = ( 0.4367816 -0.2521760 0.3566307), wk = 0.0017452 k( 78) = ( 0.4425287 -0.2554941 0.3613232), wk = 0.0017452 k( 79) = ( 0.4482759 -0.2588122 0.3660157), wk = 0.0017452 k( 80) = ( 0.4540230 -0.2621303 0.3707082), wk = 0.0017452 k( 81) = ( 0.4597701 -0.2654484 0.3754007), wk = 0.0017452 k( 82) = ( 0.4655172 -0.2687665 0.3800932), wk = 0.0017452 k( 83) = ( 0.4712644 -0.2720846 0.3847857), wk = 0.0017452 k( 84) = ( 0.4770115 -0.2754027 0.3894783), wk = 0.0017452 k( 85) = ( 0.4827586 -0.2787208 0.3941708), wk = 0.0017452 k( 86) = ( 0.4885058 -0.2820389 0.3988633), wk = 0.0017452 k( 87) = ( 0.4942529 -0.2853570 0.4035558), wk = 0.0017452 k( 88) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0017452 k( 89) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0017452 k( 90) = ( 0.5000000 -0.2821143 0.4128875), wk = 0.0017452 k( 91) = ( 0.5000000 -0.2755535 0.4175267), wk = 0.0017452 k( 92) = ( 0.5000000 -0.2689927 0.4221658), wk = 0.0017452 k( 93) = ( 0.5000000 -0.2624319 0.4268050), wk = 0.0017452 k( 94) = ( 0.5000000 -0.2558711 0.4314442), wk = 0.0017452 k( 95) = ( 0.5000000 -0.2493103 0.4360834), wk = 0.0017452 k( 96) = ( 0.5000000 -0.2427495 0.4407226), wk = 0.0017452 k( 97) = ( 0.5000000 -0.2361887 0.4453618), wk = 0.0017452 k( 98) = ( 0.5000000 -0.2296280 0.4500010), wk = 0.0017452 k( 99) = ( 0.5000000 -0.2230672 0.4546401), wk = 0.0017452 k( 100) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0017452 k( 101) = ( 0.5000000 -0.2099456 0.4639185), wk = 0.0017452 k( 102) = ( 0.5000000 -0.2033847 0.4685577), wk = 0.0017452 k( 103) = ( 0.5000000 -0.1968240 0.4731969), wk = 0.0017452 k( 104) = ( 0.5000000 -0.1902632 0.4778361), wk = 0.0017452 k( 105) = ( 0.5000000 -0.1837024 0.4824753), wk = 0.0017452 k( 106) = ( 0.5000000 -0.1771416 0.4871144), wk = 0.0017452 k( 107) = ( 0.5000000 -0.1705808 0.4917536), wk = 0.0017452 k( 108) = ( 0.5000000 -0.1640200 0.4963928), wk = 0.0017452 k( 109) = ( 0.5000000 -0.1574592 0.5010320), wk = 0.0017452 k( 110) = ( 0.5000000 -0.1508984 0.5056712), wk = 0.0017452 k( 111) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0017452 k( 112) = ( 0.5000000 -0.1377768 0.5149495), wk = 0.0017452 k( 113) = ( 0.5000000 -0.1312160 0.5195887), wk = 0.0017452 k( 114) = ( 0.5000000 -0.1246552 0.5242279), wk = 0.0017452 k( 115) = ( 0.5000000 -0.1180944 0.5288671), wk = 0.0017452 k( 116) = ( 0.5000000 -0.1115336 0.5335063), wk = 0.0017452 k( 117) = ( 0.5000000 -0.1049728 0.5381455), wk = 0.0017452 k( 118) = ( 0.5000000 -0.0984120 0.5427847), wk = 0.0017452 k( 119) = ( 0.5000000 -0.0918512 0.5474238), wk = 0.0017452 k( 120) = ( 0.5000000 -0.0852904 0.5520630), wk = 0.0017452 k( 121) = ( 0.5000000 -0.0787296 0.5567022), wk = 0.0017452 k( 122) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0017452 k( 123) = ( 0.5000000 -0.0656080 0.5659806), wk = 0.0017452 k( 124) = ( 0.5000000 -0.0590472 0.5706198), wk = 0.0017452 k( 125) = ( 0.5000000 -0.0524864 0.5752590), wk = 0.0017452 k( 126) = ( 0.5000000 -0.0459256 0.5798981), wk = 0.0017452 k( 127) = ( 0.5000000 -0.0393648 0.5845373), wk = 0.0017452 k( 128) = ( 0.5000000 -0.0328040 0.5891765), wk = 0.0017452 k( 129) = ( 0.5000000 -0.0262432 0.5938157), wk = 0.0017452 k( 130) = ( 0.5000000 -0.0196824 0.5984549), wk = 0.0017452 k( 131) = ( 0.5000000 -0.0131216 0.6030941), wk = 0.0017452 k( 132) = ( 0.5000000 -0.0065608 0.6077332), wk = 0.0017452 k( 133) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0017452 k( 134) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0017452 k( 135) = ( 0.4959677 0.0069841 0.6123724), wk = 0.0017452 k( 136) = ( 0.4919355 0.0139682 0.6123724), wk = 0.0017452 k( 137) = ( 0.4879032 0.0209522 0.6123724), wk = 0.0017452 k( 138) = ( 0.4838710 0.0279363 0.6123724), wk = 0.0017452 k( 139) = ( 0.4798387 0.0349204 0.6123724), wk = 0.0017452 k( 140) = ( 0.4758064 0.0419045 0.6123724), wk = 0.0017452 k( 141) = ( 0.4717742 0.0488885 0.6123724), wk = 0.0017452 k( 142) = ( 0.4677419 0.0558726 0.6123724), wk = 0.0017452 k( 143) = ( 0.4637097 0.0628567 0.6123724), wk = 0.0017452 k( 144) = ( 0.4596774 0.0698408 0.6123724), wk = 0.0017452 k( 145) = ( 0.4556452 0.0768248 0.6123724), wk = 0.0017452 k( 146) = ( 0.4516129 0.0838089 0.6123724), wk = 0.0017452 k( 147) = ( 0.4475807 0.0907930 0.6123724), wk = 0.0017452 k( 148) = ( 0.4435484 0.0977771 0.6123724), wk = 0.0017452 k( 149) = ( 0.4395161 0.1047611 0.6123724), wk = 0.0017452 k( 150) = ( 0.4354839 0.1117452 0.6123724), wk = 0.0017452 k( 151) = ( 0.4314516 0.1187293 0.6123724), wk = 0.0017452 k( 152) = ( 0.4274193 0.1257134 0.6123724), wk = 0.0017452 k( 153) = ( 0.4233871 0.1326974 0.6123724), wk = 0.0017452 k( 154) = ( 0.4193548 0.1396815 0.6123724), wk = 0.0017452 k( 155) = ( 0.4153226 0.1466656 0.6123724), wk = 0.0017452 k( 156) = ( 0.4112903 0.1536497 0.6123724), wk = 0.0017452 k( 157) = ( 0.4072581 0.1606338 0.6123724), wk = 0.0017452 k( 158) = ( 0.4032258 0.1676178 0.6123724), wk = 0.0017452 k( 159) = ( 0.3991936 0.1746019 0.6123724), wk = 0.0017452 k( 160) = ( 0.3951613 0.1815860 0.6123724), wk = 0.0017452 k( 161) = ( 0.3911290 0.1885701 0.6123724), wk = 0.0017452 k( 162) = ( 0.3870968 0.1955541 0.6123724), wk = 0.0017452 k( 163) = ( 0.3830645 0.2025382 0.6123724), wk = 0.0017452 k( 164) = ( 0.3790323 0.2095223 0.6123724), wk = 0.0017452 k( 165) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0017452 k( 166) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0017452 k( 167) = ( 0.3709677 0.2141783 0.6057878), wk = 0.0017452 k( 168) = ( 0.3669355 0.2118503 0.5992031), wk = 0.0017452 k( 169) = ( 0.3629032 0.2095223 0.5926185), wk = 0.0017452 k( 170) = ( 0.3588710 0.2071943 0.5860338), wk = 0.0017452 k( 171) = ( 0.3548387 0.2048662 0.5794492), wk = 0.0017452 k( 172) = ( 0.3508064 0.2025382 0.5728645), wk = 0.0017452 k( 173) = ( 0.3467742 0.2002102 0.5662799), wk = 0.0017452 k( 174) = ( 0.3427419 0.1978822 0.5596952), wk = 0.0017452 k( 175) = ( 0.3387097 0.1955541 0.5531106), wk = 0.0017452 k( 176) = ( 0.3346774 0.1932261 0.5465259), wk = 0.0017452 k( 177) = ( 0.3306452 0.1908981 0.5399413), wk = 0.0017452 k( 178) = ( 0.3266129 0.1885700 0.5333566), wk = 0.0017452 k( 179) = ( 0.3225807 0.1862420 0.5267720), wk = 0.0017452 k( 180) = ( 0.3185484 0.1839140 0.5201873), wk = 0.0017452 k( 181) = ( 0.3145161 0.1815860 0.5136027), wk = 0.0017452 k( 182) = ( 0.3104839 0.1792579 0.5070180), wk = 0.0017452 k( 183) = ( 0.3064516 0.1769299 0.5004334), wk = 0.0017452 k( 184) = ( 0.3024193 0.1746019 0.4938487), wk = 0.0017452 k( 185) = ( 0.2983871 0.1722739 0.4872641), wk = 0.0017452 k( 186) = ( 0.2943548 0.1699458 0.4806794), wk = 0.0017452 k( 187) = ( 0.2903226 0.1676178 0.4740948), wk = 0.0017452 k( 188) = ( 0.2862903 0.1652898 0.4675101), wk = 0.0017452 k( 189) = ( 0.2822581 0.1629618 0.4609255), wk = 0.0017452 k( 190) = ( 0.2782258 0.1606337 0.4543408), wk = 0.0017452 k( 191) = ( 0.2741936 0.1583057 0.4477562), wk = 0.0017452 k( 192) = ( 0.2701613 0.1559777 0.4411715), wk = 0.0017452 k( 193) = ( 0.2661290 0.1536497 0.4345869), wk = 0.0017452 k( 194) = ( 0.2620968 0.1513216 0.4280022), wk = 0.0017452 k( 195) = ( 0.2580645 0.1489936 0.4214176), wk = 0.0017452 k( 196) = ( 0.2540323 0.1466656 0.4148329), wk = 0.0017452 k( 197) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0017452 k( 198) = ( 0.2459677 0.1420095 0.4016636), wk = 0.0017452 k( 199) = ( 0.2419355 0.1396815 0.3950790), wk = 0.0017452 k( 200) = ( 0.2379032 0.1373535 0.3884943), wk = 0.0017452 k( 201) = ( 0.2338710 0.1350255 0.3819097), wk = 0.0017452 k( 202) = ( 0.2298387 0.1326974 0.3753250), wk = 0.0017452 k( 203) = ( 0.2258064 0.1303694 0.3687404), wk = 0.0017452 k( 204) = ( 0.2217742 0.1280414 0.3621557), wk = 0.0017452 k( 205) = ( 0.2177419 0.1257134 0.3555711), wk = 0.0017452 k( 206) = ( 0.2137097 0.1233853 0.3489864), wk = 0.0017452 k( 207) = ( 0.2096774 0.1210573 0.3424018), wk = 0.0017452 k( 208) = ( 0.2056452 0.1187293 0.3358171), wk = 0.0017452 k( 209) = ( 0.2016129 0.1164013 0.3292325), wk = 0.0017452 k( 210) = ( 0.1975806 0.1140732 0.3226478), wk = 0.0017452 k( 211) = ( 0.1935484 0.1117452 0.3160632), wk = 0.0017452 k( 212) = ( 0.1895161 0.1094172 0.3094785), wk = 0.0017452 k( 213) = ( 0.1854839 0.1070892 0.3028939), wk = 0.0017452 k( 214) = ( 0.1814516 0.1047611 0.2963093), wk = 0.0017452 k( 215) = ( 0.1774194 0.1024331 0.2897246), wk = 0.0017452 k( 216) = ( 0.1733871 0.1001051 0.2831399), wk = 0.0017452 k( 217) = ( 0.1693548 0.0977771 0.2765553), wk = 0.0017452 k( 218) = ( 0.1653226 0.0954490 0.2699706), wk = 0.0017452 k( 219) = ( 0.1612903 0.0931210 0.2633860), wk = 0.0017452 k( 220) = ( 0.1572581 0.0907930 0.2568013), wk = 0.0017452 k( 221) = ( 0.1532258 0.0884650 0.2502167), wk = 0.0017452 k( 222) = ( 0.1491936 0.0861369 0.2436320), wk = 0.0017452 k( 223) = ( 0.1451613 0.0838089 0.2370474), wk = 0.0017452 k( 224) = ( 0.1411290 0.0814809 0.2304627), wk = 0.0017452 k( 225) = ( 0.1370968 0.0791529 0.2238781), wk = 0.0017452 k( 226) = ( 0.1330645 0.0768248 0.2172934), wk = 0.0017452 k( 227) = ( 0.1290323 0.0744968 0.2107088), wk = 0.0017452 k( 228) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0017452 k( 229) = ( 0.1209677 0.0698408 0.1975395), wk = 0.0017452 k( 230) = ( 0.1169355 0.0675127 0.1909549), wk = 0.0017452 k( 231) = ( 0.1129032 0.0651847 0.1843702), wk = 0.0017452 k( 232) = ( 0.1088710 0.0628567 0.1777855), wk = 0.0017452 k( 233) = ( 0.1048387 0.0605287 0.1712009), wk = 0.0017452 k( 234) = ( 0.1008065 0.0582006 0.1646162), wk = 0.0017452 k( 235) = ( 0.0967742 0.0558726 0.1580316), wk = 0.0017452 k( 236) = ( 0.0927419 0.0535446 0.1514469), wk = 0.0017452 k( 237) = ( 0.0887097 0.0512166 0.1448623), wk = 0.0017452 k( 238) = ( 0.0846774 0.0488885 0.1382776), wk = 0.0017452 k( 239) = ( 0.0806452 0.0465605 0.1316930), wk = 0.0017452 k( 240) = ( 0.0766129 0.0442325 0.1251084), wk = 0.0017452 k( 241) = ( 0.0725806 0.0419045 0.1185237), wk = 0.0017452 k( 242) = ( 0.0685484 0.0395764 0.1119390), wk = 0.0017452 k( 243) = ( 0.0645161 0.0372484 0.1053544), wk = 0.0017452 k( 244) = ( 0.0604839 0.0349204 0.0987697), wk = 0.0017452 k( 245) = ( 0.0564516 0.0325924 0.0921851), wk = 0.0017452 k( 246) = ( 0.0524194 0.0302643 0.0856005), wk = 0.0017452 k( 247) = ( 0.0483871 0.0279363 0.0790158), wk = 0.0017452 k( 248) = ( 0.0443548 0.0256083 0.0724312), wk = 0.0017452 k( 249) = ( 0.0403226 0.0232803 0.0658465), wk = 0.0017452 k( 250) = ( 0.0362903 0.0209522 0.0592619), wk = 0.0017452 k( 251) = ( 0.0322581 0.0186242 0.0526772), wk = 0.0017452 k( 252) = ( 0.0282258 0.0162962 0.0460925), wk = 0.0017452 k( 253) = ( 0.0241936 0.0139682 0.0395079), wk = 0.0017452 k( 254) = ( 0.0201613 0.0116401 0.0329232), wk = 0.0017452 k( 255) = ( 0.0161290 0.0093121 0.0263386), wk = 0.0017452 k( 256) = ( 0.0120968 0.0069841 0.0197540), wk = 0.0017452 k( 257) = ( 0.0080645 0.0046561 0.0131693), wk = 0.0017452 k( 258) = ( 0.0040323 0.0023280 0.0065847), wk = 0.0017452 k( 259) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017452 k( 260) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017452 k( 261) = ( 0.0065790 0.0037984 0.0026858), wk = 0.0017452 k( 262) = ( 0.0131579 0.0075967 0.0053717), wk = 0.0017452 k( 263) = ( 0.0197368 0.0113951 0.0080575), wk = 0.0017452 k( 264) = ( 0.0263158 0.0151934 0.0107434), wk = 0.0017452 k( 265) = ( 0.0328947 0.0189918 0.0134292), wk = 0.0017452 k( 266) = ( 0.0394737 0.0227901 0.0161151), wk = 0.0017452 k( 267) = ( 0.0460526 0.0265885 0.0188009), wk = 0.0017452 k( 268) = ( 0.0526316 0.0303869 0.0214868), wk = 0.0017452 k( 269) = ( 0.0592105 0.0341852 0.0241726), wk = 0.0017452 k( 270) = ( 0.0657895 0.0379836 0.0268584), wk = 0.0017452 k( 271) = ( 0.0723684 0.0417819 0.0295443), wk = 0.0017452 k( 272) = ( 0.0789474 0.0455803 0.0322301), wk = 0.0017452 k( 273) = ( 0.0855263 0.0493786 0.0349160), wk = 0.0017452 k( 274) = ( 0.0921053 0.0531770 0.0376018), wk = 0.0017452 k( 275) = ( 0.0986842 0.0569754 0.0402877), wk = 0.0017452 k( 276) = ( 0.1052632 0.0607737 0.0429735), wk = 0.0017452 k( 277) = ( 0.1118421 0.0645721 0.0456594), wk = 0.0017452 k( 278) = ( 0.1184210 0.0683704 0.0483452), wk = 0.0017452 k( 279) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0017452 k( 280) = ( 0.1315790 0.0759671 0.0537169), wk = 0.0017452 k( 281) = ( 0.1381579 0.0797655 0.0564027), wk = 0.0017452 k( 282) = ( 0.1447368 0.0835639 0.0590886), wk = 0.0017452 k( 283) = ( 0.1513158 0.0873622 0.0617744), wk = 0.0017452 k( 284) = ( 0.1578947 0.0911606 0.0644603), wk = 0.0017452 k( 285) = ( 0.1644737 0.0949589 0.0671461), wk = 0.0017452 k( 286) = ( 0.1710526 0.0987573 0.0698319), wk = 0.0017452 k( 287) = ( 0.1776316 0.1025556 0.0725178), wk = 0.0017452 k( 288) = ( 0.1842105 0.1063540 0.0752036), wk = 0.0017452 k( 289) = ( 0.1907895 0.1101524 0.0778895), wk = 0.0017452 k( 290) = ( 0.1973684 0.1139507 0.0805753), wk = 0.0017452 k( 291) = ( 0.2039474 0.1177491 0.0832612), wk = 0.0017452 k( 292) = ( 0.2105263 0.1215474 0.0859470), wk = 0.0017452 k( 293) = ( 0.2171053 0.1253458 0.0886329), wk = 0.0017452 k( 294) = ( 0.2236842 0.1291441 0.0913187), wk = 0.0017452 k( 295) = ( 0.2302632 0.1329425 0.0940045), wk = 0.0017452 k( 296) = ( 0.2368421 0.1367409 0.0966904), wk = 0.0017452 k( 297) = ( 0.2434210 0.1405392 0.0993762), wk = 0.0017452 k( 298) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0017452 k( 299) = ( 0.2565789 0.1481359 0.1047479), wk = 0.0017452 k( 300) = ( 0.2631579 0.1519343 0.1074338), wk = 0.0017452 k( 301) = ( 0.2697368 0.1557326 0.1101196), wk = 0.0017452 k( 302) = ( 0.2763158 0.1595310 0.1128054), wk = 0.0017452 k( 303) = ( 0.2828947 0.1633294 0.1154913), wk = 0.0017452 k( 304) = ( 0.2894737 0.1671277 0.1181771), wk = 0.0017452 k( 305) = ( 0.2960526 0.1709261 0.1208630), wk = 0.0017452 k( 306) = ( 0.3026316 0.1747244 0.1235488), wk = 0.0017452 k( 307) = ( 0.3092105 0.1785228 0.1262347), wk = 0.0017452 k( 308) = ( 0.3157895 0.1823211 0.1289205), wk = 0.0017452 k( 309) = ( 0.3223684 0.1861195 0.1316064), wk = 0.0017452 k( 310) = ( 0.3289474 0.1899179 0.1342922), wk = 0.0017452 k( 311) = ( 0.3355263 0.1937162 0.1369780), wk = 0.0017452 k( 312) = ( 0.3421053 0.1975146 0.1396639), wk = 0.0017452 k( 313) = ( 0.3486842 0.2013129 0.1423497), wk = 0.0017452 k( 314) = ( 0.3552632 0.2051113 0.1450356), wk = 0.0017452 k( 315) = ( 0.3618421 0.2089096 0.1477214), wk = 0.0017452 k( 316) = ( 0.3684211 0.2127080 0.1504073), wk = 0.0017452 k( 317) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0017452 k( 318) = ( 0.3815789 0.2203047 0.1557790), wk = 0.0017452 k( 319) = ( 0.3881579 0.2241031 0.1584648), wk = 0.0017452 k( 320) = ( 0.3947368 0.2279014 0.1611506), wk = 0.0017452 k( 321) = ( 0.4013158 0.2316998 0.1638365), wk = 0.0017452 k( 322) = ( 0.4078947 0.2354981 0.1665223), wk = 0.0017452 k( 323) = ( 0.4144737 0.2392965 0.1692082), wk = 0.0017452 k( 324) = ( 0.4210526 0.2430948 0.1718940), wk = 0.0017452 k( 325) = ( 0.4276316 0.2468932 0.1745799), wk = 0.0017452 k( 326) = ( 0.4342105 0.2506916 0.1772657), wk = 0.0017452 k( 327) = ( 0.4407895 0.2544899 0.1799515), wk = 0.0017452 k( 328) = ( 0.4473684 0.2582883 0.1826374), wk = 0.0017452 k( 329) = ( 0.4539474 0.2620866 0.1853232), wk = 0.0017452 k( 330) = ( 0.4605263 0.2658850 0.1880091), wk = 0.0017452 k( 331) = ( 0.4671053 0.2696833 0.1906949), wk = 0.0017452 k( 332) = ( 0.4736842 0.2734817 0.1933808), wk = 0.0017452 k( 333) = ( 0.4802632 0.2772801 0.1960666), wk = 0.0017452 k( 334) = ( 0.4868421 0.2810784 0.1987525), wk = 0.0017452 k( 335) = ( 0.4934211 0.2848768 0.2014383), wk = 0.0017452 k( 336) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0017452 k( 337) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0017452 k( 338) = ( 0.5023148 0.2819928 0.2079042), wk = 0.0017452 k( 339) = ( 0.5046296 0.2753105 0.2116843), wk = 0.0017452 k( 340) = ( 0.5069444 0.2686283 0.2154644), wk = 0.0017452 k( 341) = ( 0.5092593 0.2619460 0.2192445), wk = 0.0017452 k( 342) = ( 0.5115741 0.2552637 0.2230245), wk = 0.0017452 k( 343) = ( 0.5138889 0.2485814 0.2268046), wk = 0.0017452 k( 344) = ( 0.5162037 0.2418991 0.2305847), wk = 0.0017452 k( 345) = ( 0.5185185 0.2352168 0.2343648), wk = 0.0017452 k( 346) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0017452 k( 347) = ( 0.5231482 0.2218522 0.2419249), wk = 0.0017452 k( 348) = ( 0.5254630 0.2151699 0.2457050), wk = 0.0017452 k( 349) = ( 0.5277778 0.2084876 0.2494851), wk = 0.0017452 k( 350) = ( 0.5300926 0.2018053 0.2532651), wk = 0.0017452 k( 351) = ( 0.5324074 0.1951230 0.2570452), wk = 0.0017452 k( 352) = ( 0.5347222 0.1884407 0.2608253), wk = 0.0017452 k( 353) = ( 0.5370370 0.1817584 0.2646054), wk = 0.0017452 k( 354) = ( 0.5393518 0.1750761 0.2683854), wk = 0.0017452 k( 355) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0017452 k( 356) = ( 0.5439815 0.1617115 0.2759456), wk = 0.0017452 k( 357) = ( 0.5462963 0.1550292 0.2797257), wk = 0.0017452 k( 358) = ( 0.5486111 0.1483469 0.2835058), wk = 0.0017452 k( 359) = ( 0.5509259 0.1416646 0.2872858), wk = 0.0017452 k( 360) = ( 0.5532407 0.1349824 0.2910659), wk = 0.0017452 k( 361) = ( 0.5555556 0.1283001 0.2948460), wk = 0.0017452 k( 362) = ( 0.5578704 0.1216178 0.2986261), wk = 0.0017452 k( 363) = ( 0.5601852 0.1149355 0.3024061), wk = 0.0017452 k( 364) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0017452 k( 365) = ( 0.5648148 0.1015709 0.3099663), wk = 0.0017452 k( 366) = ( 0.5671296 0.0948886 0.3137464), wk = 0.0017452 k( 367) = ( 0.5694444 0.0882063 0.3175264), wk = 0.0017452 k( 368) = ( 0.5717593 0.0815240 0.3213065), wk = 0.0017452 k( 369) = ( 0.5740741 0.0748417 0.3250866), wk = 0.0017452 k( 370) = ( 0.5763889 0.0681594 0.3288667), wk = 0.0017452 k( 371) = ( 0.5787037 0.0614771 0.3326468), wk = 0.0017452 k( 372) = ( 0.5810185 0.0547948 0.3364268), wk = 0.0017452 k( 373) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0017452 k( 374) = ( 0.5856482 0.0414302 0.3439870), wk = 0.0017452 k( 375) = ( 0.5879630 0.0347479 0.3477671), wk = 0.0017452 k( 376) = ( 0.5902778 0.0280656 0.3515471), wk = 0.0017452 k( 377) = ( 0.5925926 0.0213833 0.3553272), wk = 0.0017452 k( 378) = ( 0.5949074 0.0147011 0.3591073), wk = 0.0017452 k( 379) = ( 0.5972222 0.0080188 0.3628874), wk = 0.0017452 k( 380) = ( 0.5995370 0.0013365 0.3666674), wk = 0.0017452 k( 381) = ( 0.6018518 -0.0053458 0.3704475), wk = 0.0017452 k( 382) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0017452 k( 383) = ( 0.6064815 -0.0187104 0.3780077), wk = 0.0017452 k( 384) = ( 0.6087963 -0.0253927 0.3817878), wk = 0.0017452 k( 385) = ( 0.6111111 -0.0320750 0.3855678), wk = 0.0017452 k( 386) = ( 0.6134259 -0.0387573 0.3893479), wk = 0.0017452 k( 387) = ( 0.6157407 -0.0454396 0.3931280), wk = 0.0017452 k( 388) = ( 0.6180556 -0.0521219 0.3969081), wk = 0.0017452 k( 389) = ( 0.6203704 -0.0588042 0.4006881), wk = 0.0017452 k( 390) = ( 0.6226852 -0.0654865 0.4044682), wk = 0.0017452 k( 391) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0017452 k( 392) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0017452 k( 393) = ( 0.6209677 -0.0698408 0.4148329), wk = 0.0017452 k( 394) = ( 0.6169355 -0.0675127 0.4214176), wk = 0.0017452 k( 395) = ( 0.6129032 -0.0651847 0.4280022), wk = 0.0017452 k( 396) = ( 0.6088710 -0.0628567 0.4345869), wk = 0.0017452 k( 397) = ( 0.6048387 -0.0605287 0.4411715), wk = 0.0017452 k( 398) = ( 0.6008064 -0.0582006 0.4477562), wk = 0.0017452 k( 399) = ( 0.5967742 -0.0558726 0.4543408), wk = 0.0017452 k( 400) = ( 0.5927419 -0.0535446 0.4609255), wk = 0.0017452 k( 401) = ( 0.5887097 -0.0512166 0.4675101), wk = 0.0017452 k( 402) = ( 0.5846774 -0.0488885 0.4740948), wk = 0.0017452 k( 403) = ( 0.5806452 -0.0465605 0.4806794), wk = 0.0017452 k( 404) = ( 0.5766129 -0.0442325 0.4872641), wk = 0.0017452 k( 405) = ( 0.5725807 -0.0419045 0.4938487), wk = 0.0017452 k( 406) = ( 0.5685484 -0.0395764 0.5004334), wk = 0.0017452 k( 407) = ( 0.5645161 -0.0372484 0.5070180), wk = 0.0017452 k( 408) = ( 0.5604839 -0.0349204 0.5136027), wk = 0.0017452 k( 409) = ( 0.5564516 -0.0325924 0.5201873), wk = 0.0017452 k( 410) = ( 0.5524193 -0.0302643 0.5267720), wk = 0.0017452 k( 411) = ( 0.5483871 -0.0279363 0.5333566), wk = 0.0017452 k( 412) = ( 0.5443548 -0.0256083 0.5399413), wk = 0.0017452 k( 413) = ( 0.5403226 -0.0232803 0.5465259), wk = 0.0017452 k( 414) = ( 0.5362903 -0.0209522 0.5531106), wk = 0.0017452 k( 415) = ( 0.5322581 -0.0186242 0.5596952), wk = 0.0017452 k( 416) = ( 0.5282258 -0.0162962 0.5662799), wk = 0.0017452 k( 417) = ( 0.5241936 -0.0139682 0.5728645), wk = 0.0017452 k( 418) = ( 0.5201613 -0.0116401 0.5794492), wk = 0.0017452 k( 419) = ( 0.5161290 -0.0093121 0.5860338), wk = 0.0017452 k( 420) = ( 0.5120968 -0.0069841 0.5926185), wk = 0.0017452 k( 421) = ( 0.5080645 -0.0046561 0.5992031), wk = 0.0017452 k( 422) = ( 0.5040323 -0.0023280 0.6057878), wk = 0.0017452 k( 423) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0017452 k( 424) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0017452 k( 425) = ( 0.5000000 0.0046561 0.6057878), wk = 0.0017452 k( 426) = ( 0.5000000 0.0093121 0.5992031), wk = 0.0017452 k( 427) = ( 0.5000000 0.0139681 0.5926185), wk = 0.0017452 k( 428) = ( 0.5000000 0.0186242 0.5860338), wk = 0.0017452 k( 429) = ( 0.5000000 0.0232803 0.5794492), wk = 0.0017452 k( 430) = ( 0.5000000 0.0279363 0.5728645), wk = 0.0017452 k( 431) = ( 0.5000000 0.0325924 0.5662799), wk = 0.0017452 k( 432) = ( 0.5000000 0.0372484 0.5596952), wk = 0.0017452 k( 433) = ( 0.5000000 0.0419045 0.5531106), wk = 0.0017452 k( 434) = ( 0.5000000 0.0465605 0.5465259), wk = 0.0017452 k( 435) = ( 0.5000000 0.0512166 0.5399413), wk = 0.0017452 k( 436) = ( 0.5000000 0.0558726 0.5333566), wk = 0.0017452 k( 437) = ( 0.5000000 0.0605287 0.5267720), wk = 0.0017452 k( 438) = ( 0.5000000 0.0651847 0.5201873), wk = 0.0017452 k( 439) = ( 0.5000000 0.0698408 0.5136027), wk = 0.0017452 k( 440) = ( 0.5000000 0.0744968 0.5070180), wk = 0.0017452 k( 441) = ( 0.5000000 0.0791529 0.5004334), wk = 0.0017452 k( 442) = ( 0.5000000 0.0838089 0.4938487), wk = 0.0017452 k( 443) = ( 0.5000000 0.0884650 0.4872641), wk = 0.0017452 k( 444) = ( 0.5000000 0.0931210 0.4806794), wk = 0.0017452 k( 445) = ( 0.5000000 0.0977771 0.4740948), wk = 0.0017452 k( 446) = ( 0.5000000 0.1024331 0.4675101), wk = 0.0017452 k( 447) = ( 0.5000000 0.1070892 0.4609255), wk = 0.0017452 k( 448) = ( 0.5000000 0.1117452 0.4543408), wk = 0.0017452 k( 449) = ( 0.5000000 0.1164013 0.4477562), wk = 0.0017452 k( 450) = ( 0.5000000 0.1210573 0.4411715), wk = 0.0017452 k( 451) = ( 0.5000000 0.1257134 0.4345869), wk = 0.0017452 k( 452) = ( 0.5000000 0.1303694 0.4280022), wk = 0.0017452 k( 453) = ( 0.5000000 0.1350255 0.4214176), wk = 0.0017452 k( 454) = ( 0.5000000 0.1396815 0.4148329), wk = 0.0017452 k( 455) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0017452 k( 456) = ( 0.5000000 0.1489936 0.4016636), wk = 0.0017452 k( 457) = ( 0.5000000 0.1536497 0.3950790), wk = 0.0017452 k( 458) = ( 0.5000000 0.1583057 0.3884943), wk = 0.0017452 k( 459) = ( 0.5000000 0.1629618 0.3819097), wk = 0.0017452 k( 460) = ( 0.5000000 0.1676178 0.3753250), wk = 0.0017452 k( 461) = ( 0.5000000 0.1722739 0.3687404), wk = 0.0017452 k( 462) = ( 0.5000000 0.1769299 0.3621557), wk = 0.0017452 k( 463) = ( 0.5000000 0.1815860 0.3555711), wk = 0.0017452 k( 464) = ( 0.5000000 0.1862420 0.3489864), wk = 0.0017452 k( 465) = ( 0.5000000 0.1908981 0.3424018), wk = 0.0017452 k( 466) = ( 0.5000000 0.1955541 0.3358171), wk = 0.0017452 k( 467) = ( 0.5000000 0.2002102 0.3292325), wk = 0.0017452 k( 468) = ( 0.5000000 0.2048662 0.3226479), wk = 0.0017452 k( 469) = ( 0.5000000 0.2095223 0.3160632), wk = 0.0017452 k( 470) = ( 0.5000000 0.2141783 0.3094785), wk = 0.0017452 k( 471) = ( 0.5000000 0.2188344 0.3028939), wk = 0.0017452 k( 472) = ( 0.5000000 0.2234904 0.2963092), wk = 0.0017452 k( 473) = ( 0.5000000 0.2281465 0.2897246), wk = 0.0017452 k( 474) = ( 0.5000000 0.2328025 0.2831399), wk = 0.0017452 k( 475) = ( 0.5000000 0.2374586 0.2765553), wk = 0.0017452 k( 476) = ( 0.5000000 0.2421146 0.2699706), wk = 0.0017452 k( 477) = ( 0.5000000 0.2467707 0.2633860), wk = 0.0017452 k( 478) = ( 0.5000000 0.2514267 0.2568013), wk = 0.0017452 k( 479) = ( 0.5000000 0.2560828 0.2502167), wk = 0.0017452 k( 480) = ( 0.5000000 0.2607388 0.2436320), wk = 0.0017452 k( 481) = ( 0.5000000 0.2653949 0.2370474), wk = 0.0017452 k( 482) = ( 0.5000000 0.2700509 0.2304627), wk = 0.0017452 k( 483) = ( 0.5000000 0.2747070 0.2238781), wk = 0.0017452 k( 484) = ( 0.5000000 0.2793630 0.2172935), wk = 0.0017452 k( 485) = ( 0.5000000 0.2840191 0.2107088), wk = 0.0017452 k( 486) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0017452 k( 487) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0017452 k( 488) = ( 0.4976852 0.2873387 0.2116843), wk = 0.0017452 k( 489) = ( 0.4953704 0.2860022 0.2192445), wk = 0.0017452 k( 490) = ( 0.4930556 0.2846658 0.2268046), wk = 0.0017452 k( 491) = ( 0.4907407 0.2833293 0.2343648), wk = 0.0017452 k( 492) = ( 0.4884259 0.2819928 0.2419249), wk = 0.0017452 k( 493) = ( 0.4861111 0.2806564 0.2494851), wk = 0.0017452 k( 494) = ( 0.4837963 0.2793199 0.2570452), wk = 0.0017452 k( 495) = ( 0.4814815 0.2779835 0.2646054), wk = 0.0017452 k( 496) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0017452 k( 497) = ( 0.4768519 0.2753105 0.2797257), wk = 0.0017452 k( 498) = ( 0.4745370 0.2739741 0.2872858), wk = 0.0017452 k( 499) = ( 0.4722222 0.2726376 0.2948460), wk = 0.0017452 k( 500) = ( 0.4699074 0.2713012 0.3024061), wk = 0.0017452 k( 501) = ( 0.4675926 0.2699647 0.3099663), wk = 0.0017452 k( 502) = ( 0.4652778 0.2686283 0.3175264), wk = 0.0017452 k( 503) = ( 0.4629630 0.2672918 0.3250866), wk = 0.0017452 k( 504) = ( 0.4606481 0.2659553 0.3326467), wk = 0.0017452 k( 505) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0017452 k( 506) = ( 0.4560185 0.2632824 0.3477671), wk = 0.0017452 k( 507) = ( 0.4537037 0.2619460 0.3553272), wk = 0.0017452 k( 508) = ( 0.4513889 0.2606095 0.3628874), wk = 0.0017452 k( 509) = ( 0.4490741 0.2592730 0.3704475), wk = 0.0017452 k( 510) = ( 0.4467593 0.2579366 0.3780077), wk = 0.0017452 k( 511) = ( 0.4444444 0.2566001 0.3855678), wk = 0.0017452 k( 512) = ( 0.4421296 0.2552637 0.3931280), wk = 0.0017452 k( 513) = ( 0.4398148 0.2539272 0.4006881), wk = 0.0017452 k( 514) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0017452 k( 515) = ( 0.4351852 0.2512543 0.4158084), wk = 0.0017452 k( 516) = ( 0.4328704 0.2499178 0.4233686), wk = 0.0017452 k( 517) = ( 0.4305556 0.2485814 0.4309287), wk = 0.0017452 k( 518) = ( 0.4282407 0.2472449 0.4384889), wk = 0.0017452 k( 519) = ( 0.4259259 0.2459085 0.4460491), wk = 0.0017452 k( 520) = ( 0.4236111 0.2445720 0.4536092), wk = 0.0017452 k( 521) = ( 0.4212963 0.2432355 0.4611694), wk = 0.0017452 k( 522) = ( 0.4189815 0.2418991 0.4687295), wk = 0.0017452 k( 523) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0017452 k( 524) = ( 0.4143519 0.2392262 0.4838498), wk = 0.0017452 k( 525) = ( 0.4120370 0.2378897 0.4914100), wk = 0.0017452 k( 526) = ( 0.4097222 0.2365532 0.4989701), wk = 0.0017452 k( 527) = ( 0.4074074 0.2352168 0.5065303), wk = 0.0017452 k( 528) = ( 0.4050926 0.2338803 0.5140904), wk = 0.0017452 k( 529) = ( 0.4027778 0.2325439 0.5216506), wk = 0.0017452 k( 530) = ( 0.4004630 0.2312074 0.5292107), wk = 0.0017452 k( 531) = ( 0.3981481 0.2298709 0.5367709), wk = 0.0017452 k( 532) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0017452 k( 533) = ( 0.3935185 0.2271980 0.5518912), wk = 0.0017452 k( 534) = ( 0.3912037 0.2258616 0.5594514), wk = 0.0017452 k( 535) = ( 0.3888889 0.2245251 0.5670115), wk = 0.0017452 k( 536) = ( 0.3865741 0.2231886 0.5745717), wk = 0.0017452 k( 537) = ( 0.3842593 0.2218522 0.5821318), wk = 0.0017452 k( 538) = ( 0.3819444 0.2205157 0.5896920), wk = 0.0017452 k( 539) = ( 0.3796296 0.2191793 0.5972521), wk = 0.0017452 k( 540) = ( 0.3773148 0.2178428 0.6048123), wk = 0.0017452 k( 541) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0017452 k( 542) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0017452 k( 543) = ( 0.6209677 -0.0791529 0.4082483), wk = 0.0017452 k( 544) = ( 0.6169355 -0.0861369 0.4082483), wk = 0.0017452 k( 545) = ( 0.6129032 -0.0931210 0.4082483), wk = 0.0017452 k( 546) = ( 0.6088710 -0.1001051 0.4082483), wk = 0.0017452 k( 547) = ( 0.6048387 -0.1070892 0.4082483), wk = 0.0017452 k( 548) = ( 0.6008064 -0.1140732 0.4082483), wk = 0.0017452 k( 549) = ( 0.5967742 -0.1210573 0.4082483), wk = 0.0017452 k( 550) = ( 0.5927419 -0.1280414 0.4082483), wk = 0.0017452 k( 551) = ( 0.5887097 -0.1350255 0.4082483), wk = 0.0017452 k( 552) = ( 0.5846774 -0.1420095 0.4082483), wk = 0.0017452 k( 553) = ( 0.5806452 -0.1489936 0.4082483), wk = 0.0017452 k( 554) = ( 0.5766129 -0.1559777 0.4082483), wk = 0.0017452 k( 555) = ( 0.5725807 -0.1629618 0.4082483), wk = 0.0017452 k( 556) = ( 0.5685484 -0.1699459 0.4082483), wk = 0.0017452 k( 557) = ( 0.5645161 -0.1769299 0.4082483), wk = 0.0017452 k( 558) = ( 0.5604839 -0.1839140 0.4082483), wk = 0.0017452 k( 559) = ( 0.5564516 -0.1908981 0.4082483), wk = 0.0017452 k( 560) = ( 0.5524193 -0.1978821 0.4082483), wk = 0.0017452 k( 561) = ( 0.5483871 -0.2048662 0.4082483), wk = 0.0017452 k( 562) = ( 0.5443548 -0.2118503 0.4082483), wk = 0.0017452 k( 563) = ( 0.5403226 -0.2188344 0.4082483), wk = 0.0017452 k( 564) = ( 0.5362903 -0.2258184 0.4082483), wk = 0.0017452 k( 565) = ( 0.5322581 -0.2328025 0.4082483), wk = 0.0017452 k( 566) = ( 0.5282258 -0.2397866 0.4082483), wk = 0.0017452 k( 567) = ( 0.5241936 -0.2467707 0.4082483), wk = 0.0017452 k( 568) = ( 0.5201613 -0.2537548 0.4082483), wk = 0.0017452 k( 569) = ( 0.5161290 -0.2607388 0.4082483), wk = 0.0017452 k( 570) = ( 0.5120968 -0.2677229 0.4082483), wk = 0.0017452 k( 571) = ( 0.5080645 -0.2747070 0.4082483), wk = 0.0017452 k( 572) = ( 0.5040323 -0.2816911 0.4082483), wk = 0.0017452 k( 573) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0017452 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017452 k( 2) = ( 0.0057471 0.0000000 0.0057471), wk = 0.0017452 k( 3) = ( 0.0114942 0.0000000 0.0114942), wk = 0.0017452 k( 4) = ( 0.0172414 0.0000000 0.0172414), wk = 0.0017452 k( 5) = ( 0.0229885 0.0000000 0.0229885), wk = 0.0017452 k( 6) = ( 0.0287356 0.0000000 0.0287356), wk = 0.0017452 k( 7) = ( 0.0344828 0.0000000 0.0344828), wk = 0.0017452 k( 8) = ( 0.0402299 0.0000000 0.0402299), wk = 0.0017452 k( 9) = ( 0.0459770 0.0000000 0.0459770), wk = 0.0017452 k( 10) = ( 0.0517241 0.0000000 0.0517241), wk = 0.0017452 k( 11) = ( 0.0574713 0.0000000 0.0574713), wk = 0.0017452 k( 12) = ( 0.0632184 0.0000000 0.0632184), wk = 0.0017452 k( 13) = ( 0.0689655 0.0000000 0.0689655), wk = 0.0017452 k( 14) = ( 0.0747126 0.0000000 0.0747126), wk = 0.0017452 k( 15) = ( 0.0804598 0.0000000 0.0804598), wk = 0.0017452 k( 16) = ( 0.0862069 0.0000000 0.0862069), wk = 0.0017452 k( 17) = ( 0.0919540 0.0000000 0.0919540), wk = 0.0017452 k( 18) = ( 0.0977012 0.0000000 0.0977012), wk = 0.0017452 k( 19) = ( 0.1034483 0.0000000 0.1034483), wk = 0.0017452 k( 20) = ( 0.1091954 -0.0000000 0.1091954), wk = 0.0017452 k( 21) = ( 0.1149425 0.0000000 0.1149425), wk = 0.0017452 k( 22) = ( 0.1206897 0.0000000 0.1206897), wk = 0.0017452 k( 23) = ( 0.1264368 0.0000000 0.1264368), wk = 0.0017452 k( 24) = ( 0.1321839 0.0000000 0.1321839), wk = 0.0017452 k( 25) = ( 0.1379310 0.0000000 0.1379310), wk = 0.0017452 k( 26) = ( 0.1436782 0.0000000 0.1436782), wk = 0.0017452 k( 27) = ( 0.1494253 0.0000000 0.1494253), wk = 0.0017452 k( 28) = ( 0.1551724 0.0000000 0.1551724), wk = 0.0017452 k( 29) = ( 0.1609195 0.0000000 0.1609195), wk = 0.0017452 k( 30) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0017452 k( 31) = ( 0.1724138 0.0000000 0.1724138), wk = 0.0017452 k( 32) = ( 0.1781609 0.0000000 0.1781609), wk = 0.0017452 k( 33) = ( 0.1839080 0.0000000 0.1839080), wk = 0.0017452 k( 34) = ( 0.1896552 0.0000000 0.1896552), wk = 0.0017452 k( 35) = ( 0.1954023 0.0000000 0.1954023), wk = 0.0017452 k( 36) = ( 0.2011494 -0.0000000 0.2011494), wk = 0.0017452 k( 37) = ( 0.2068966 -0.0000000 0.2068966), wk = 0.0017452 k( 38) = ( 0.2126437 0.0000000 0.2126437), wk = 0.0017452 k( 39) = ( 0.2183908 -0.0000000 0.2183908), wk = 0.0017452 k( 40) = ( 0.2241379 0.0000000 0.2241379), wk = 0.0017452 k( 41) = ( 0.2298851 0.0000000 0.2298851), wk = 0.0017452 k( 42) = ( 0.2356322 0.0000000 0.2356322), wk = 0.0017452 k( 43) = ( 0.2413793 0.0000000 0.2413793), wk = 0.0017452 k( 44) = ( 0.2471264 0.0000000 0.2471264), wk = 0.0017452 k( 45) = ( 0.2528736 0.0000000 0.2528736), wk = 0.0017452 k( 46) = ( 0.2586207 0.0000000 0.2586207), wk = 0.0017452 k( 47) = ( 0.2643678 0.0000000 0.2643678), wk = 0.0017452 k( 48) = ( 0.2701149 0.0000000 0.2701149), wk = 0.0017452 k( 49) = ( 0.2758621 0.0000000 0.2758621), wk = 0.0017452 k( 50) = ( 0.2816092 0.0000000 0.2816092), wk = 0.0017452 k( 51) = ( 0.2873563 0.0000000 0.2873563), wk = 0.0017452 k( 52) = ( 0.2931034 0.0000000 0.2931034), wk = 0.0017452 k( 53) = ( 0.2988506 0.0000000 0.2988506), wk = 0.0017452 k( 54) = ( 0.3045977 0.0000000 0.3045977), wk = 0.0017452 k( 55) = ( 0.3103448 0.0000000 0.3103448), wk = 0.0017452 k( 56) = ( 0.3160920 0.0000000 0.3160920), wk = 0.0017452 k( 57) = ( 0.3218391 0.0000000 0.3218391), wk = 0.0017452 k( 58) = ( 0.3275862 0.0000000 0.3275862), wk = 0.0017452 k( 59) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0017452 k( 60) = ( 0.3390805 0.0000000 0.3390805), wk = 0.0017452 k( 61) = ( 0.3448276 0.0000000 0.3448276), wk = 0.0017452 k( 62) = ( 0.3505747 0.0000000 0.3505747), wk = 0.0017452 k( 63) = ( 0.3563218 0.0000000 0.3563218), wk = 0.0017452 k( 64) = ( 0.3620690 0.0000000 0.3620690), wk = 0.0017452 k( 65) = ( 0.3678161 0.0000000 0.3678161), wk = 0.0017452 k( 66) = ( 0.3735632 0.0000000 0.3735632), wk = 0.0017452 k( 67) = ( 0.3793103 0.0000000 0.3793103), wk = 0.0017452 k( 68) = ( 0.3850575 0.0000000 0.3850575), wk = 0.0017452 k( 69) = ( 0.3908046 0.0000000 0.3908046), wk = 0.0017452 k( 70) = ( 0.3965517 0.0000000 0.3965517), wk = 0.0017452 k( 71) = ( 0.4022988 0.0000000 0.4022989), wk = 0.0017452 k( 72) = ( 0.4080460 0.0000000 0.4080460), wk = 0.0017452 k( 73) = ( 0.4137931 -0.0000000 0.4137931), wk = 0.0017452 k( 74) = ( 0.4195402 0.0000000 0.4195402), wk = 0.0017452 k( 75) = ( 0.4252874 0.0000000 0.4252874), wk = 0.0017452 k( 76) = ( 0.4310345 0.0000000 0.4310345), wk = 0.0017452 k( 77) = ( 0.4367816 0.0000000 0.4367816), wk = 0.0017452 k( 78) = ( 0.4425287 0.0000000 0.4425287), wk = 0.0017452 k( 79) = ( 0.4482759 0.0000000 0.4482759), wk = 0.0017452 k( 80) = ( 0.4540230 -0.0000000 0.4540230), wk = 0.0017452 k( 81) = ( 0.4597701 -0.0000000 0.4597701), wk = 0.0017452 k( 82) = ( 0.4655172 0.0000000 0.4655172), wk = 0.0017452 k( 83) = ( 0.4712644 -0.0000000 0.4712644), wk = 0.0017452 k( 84) = ( 0.4770115 0.0000000 0.4770115), wk = 0.0017452 k( 85) = ( 0.4827586 0.0000000 0.4827586), wk = 0.0017452 k( 86) = ( 0.4885058 0.0000000 0.4885058), wk = 0.0017452 k( 87) = ( 0.4942529 -0.0000000 0.4942529), wk = 0.0017452 k( 88) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0017452 k( 89) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0017452 k( 90) = ( 0.5000000 0.0056818 0.5056818), wk = 0.0017452 k( 91) = ( 0.5000000 0.0113636 0.5113636), wk = 0.0017452 k( 92) = ( 0.5000000 0.0170454 0.5170455), wk = 0.0017452 k( 93) = ( 0.5000000 0.0227273 0.5227273), wk = 0.0017452 k( 94) = ( 0.5000000 0.0284091 0.5284091), wk = 0.0017452 k( 95) = ( 0.5000000 0.0340909 0.5340909), wk = 0.0017452 k( 96) = ( 0.5000000 0.0397727 0.5397727), wk = 0.0017452 k( 97) = ( 0.5000000 0.0454546 0.5454545), wk = 0.0017452 k( 98) = ( 0.5000000 0.0511364 0.5511364), wk = 0.0017452 k( 99) = ( 0.5000000 0.0568182 0.5568182), wk = 0.0017452 k( 100) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0017452 k( 101) = ( 0.5000000 0.0681818 0.5681818), wk = 0.0017452 k( 102) = ( 0.5000000 0.0738636 0.5738636), wk = 0.0017452 k( 103) = ( 0.5000000 0.0795454 0.5795455), wk = 0.0017452 k( 104) = ( 0.5000000 0.0852273 0.5852273), wk = 0.0017452 k( 105) = ( 0.5000000 0.0909091 0.5909091), wk = 0.0017452 k( 106) = ( 0.5000000 0.0965909 0.5965909), wk = 0.0017452 k( 107) = ( 0.5000000 0.1022727 0.6022727), wk = 0.0017452 k( 108) = ( 0.5000000 0.1079546 0.6079545), wk = 0.0017452 k( 109) = ( 0.5000000 0.1136364 0.6136364), wk = 0.0017452 k( 110) = ( 0.5000000 0.1193182 0.6193182), wk = 0.0017452 k( 111) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0017452 k( 112) = ( 0.5000000 0.1306818 0.6306818), wk = 0.0017452 k( 113) = ( 0.5000000 0.1363636 0.6363636), wk = 0.0017452 k( 114) = ( 0.5000000 0.1420454 0.6420455), wk = 0.0017452 k( 115) = ( 0.5000000 0.1477273 0.6477273), wk = 0.0017452 k( 116) = ( 0.5000000 0.1534091 0.6534091), wk = 0.0017452 k( 117) = ( 0.5000000 0.1590909 0.6590909), wk = 0.0017452 k( 118) = ( 0.5000000 0.1647727 0.6647727), wk = 0.0017452 k( 119) = ( 0.5000000 0.1704546 0.6704545), wk = 0.0017452 k( 120) = ( 0.5000000 0.1761364 0.6761364), wk = 0.0017452 k( 121) = ( 0.5000000 0.1818182 0.6818182), wk = 0.0017452 k( 122) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0017452 k( 123) = ( 0.5000000 0.1931818 0.6931818), wk = 0.0017452 k( 124) = ( 0.5000000 0.1988636 0.6988636), wk = 0.0017452 k( 125) = ( 0.5000000 0.2045454 0.7045455), wk = 0.0017452 k( 126) = ( 0.5000000 0.2102273 0.7102273), wk = 0.0017452 k( 127) = ( 0.5000000 0.2159091 0.7159091), wk = 0.0017452 k( 128) = ( 0.5000000 0.2215909 0.7215909), wk = 0.0017452 k( 129) = ( 0.5000000 0.2272727 0.7272727), wk = 0.0017452 k( 130) = ( 0.5000000 0.2329546 0.7329546), wk = 0.0017452 k( 131) = ( 0.5000000 0.2386364 0.7386364), wk = 0.0017452 k( 132) = ( 0.5000000 0.2443182 0.7443182), wk = 0.0017452 k( 133) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0017452 k( 134) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0017452 k( 135) = ( 0.4959677 0.2540323 0.7500000), wk = 0.0017452 k( 136) = ( 0.4919355 0.2580645 0.7500000), wk = 0.0017452 k( 137) = ( 0.4879032 0.2620968 0.7500000), wk = 0.0017452 k( 138) = ( 0.4838710 0.2661290 0.7500000), wk = 0.0017452 k( 139) = ( 0.4798387 0.2701613 0.7500000), wk = 0.0017452 k( 140) = ( 0.4758064 0.2741936 0.7500000), wk = 0.0017452 k( 141) = ( 0.4717742 0.2782258 0.7500000), wk = 0.0017452 k( 142) = ( 0.4677419 0.2822581 0.7500000), wk = 0.0017452 k( 143) = ( 0.4637097 0.2862903 0.7500000), wk = 0.0017452 k( 144) = ( 0.4596774 0.2903226 0.7500000), wk = 0.0017452 k( 145) = ( 0.4556452 0.2943548 0.7500000), wk = 0.0017452 k( 146) = ( 0.4516129 0.2983871 0.7500000), wk = 0.0017452 k( 147) = ( 0.4475807 0.3024193 0.7500000), wk = 0.0017452 k( 148) = ( 0.4435484 0.3064516 0.7500000), wk = 0.0017452 k( 149) = ( 0.4395161 0.3104839 0.7500000), wk = 0.0017452 k( 150) = ( 0.4354839 0.3145161 0.7500000), wk = 0.0017452 k( 151) = ( 0.4314516 0.3185484 0.7500000), wk = 0.0017452 k( 152) = ( 0.4274193 0.3225807 0.7500000), wk = 0.0017452 k( 153) = ( 0.4233871 0.3266129 0.7500000), wk = 0.0017452 k( 154) = ( 0.4193548 0.3306452 0.7500000), wk = 0.0017452 k( 155) = ( 0.4153226 0.3346774 0.7500000), wk = 0.0017452 k( 156) = ( 0.4112903 0.3387097 0.7500000), wk = 0.0017452 k( 157) = ( 0.4072581 0.3427419 0.7500000), wk = 0.0017452 k( 158) = ( 0.4032258 0.3467742 0.7500000), wk = 0.0017452 k( 159) = ( 0.3991936 0.3508064 0.7500000), wk = 0.0017452 k( 160) = ( 0.3951613 0.3548387 0.7500000), wk = 0.0017452 k( 161) = ( 0.3911290 0.3588710 0.7500000), wk = 0.0017452 k( 162) = ( 0.3870968 0.3629032 0.7500000), wk = 0.0017452 k( 163) = ( 0.3830645 0.3669355 0.7500000), wk = 0.0017452 k( 164) = ( 0.3790323 0.3709677 0.7500000), wk = 0.0017452 k( 165) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0017452 k( 166) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0017452 k( 167) = ( 0.3709677 0.3709677 0.7419355), wk = 0.0017452 k( 168) = ( 0.3669355 0.3669355 0.7338710), wk = 0.0017452 k( 169) = ( 0.3629032 0.3629032 0.7258064), wk = 0.0017452 k( 170) = ( 0.3588710 0.3588710 0.7177419), wk = 0.0017452 k( 171) = ( 0.3548387 0.3548387 0.7096774), wk = 0.0017452 k( 172) = ( 0.3508064 0.3508064 0.7016129), wk = 0.0017452 k( 173) = ( 0.3467742 0.3467742 0.6935484), wk = 0.0017452 k( 174) = ( 0.3427419 0.3427419 0.6854839), wk = 0.0017452 k( 175) = ( 0.3387097 0.3387097 0.6774193), wk = 0.0017452 k( 176) = ( 0.3346774 0.3346774 0.6693548), wk = 0.0017452 k( 177) = ( 0.3306452 0.3306452 0.6612903), wk = 0.0017452 k( 178) = ( 0.3266129 0.3266129 0.6532258), wk = 0.0017452 k( 179) = ( 0.3225807 0.3225807 0.6451613), wk = 0.0017452 k( 180) = ( 0.3185484 0.3185484 0.6370968), wk = 0.0017452 k( 181) = ( 0.3145161 0.3145161 0.6290323), wk = 0.0017452 k( 182) = ( 0.3104839 0.3104839 0.6209677), wk = 0.0017452 k( 183) = ( 0.3064516 0.3064516 0.6129032), wk = 0.0017452 k( 184) = ( 0.3024193 0.3024193 0.6048387), wk = 0.0017452 k( 185) = ( 0.2983871 0.2983871 0.5967742), wk = 0.0017452 k( 186) = ( 0.2943548 0.2943548 0.5887097), wk = 0.0017452 k( 187) = ( 0.2903226 0.2903226 0.5806452), wk = 0.0017452 k( 188) = ( 0.2862903 0.2862903 0.5725807), wk = 0.0017452 k( 189) = ( 0.2822581 0.2822581 0.5645161), wk = 0.0017452 k( 190) = ( 0.2782258 0.2782258 0.5564516), wk = 0.0017452 k( 191) = ( 0.2741936 0.2741936 0.5483871), wk = 0.0017452 k( 192) = ( 0.2701613 0.2701613 0.5403226), wk = 0.0017452 k( 193) = ( 0.2661290 0.2661290 0.5322581), wk = 0.0017452 k( 194) = ( 0.2620968 0.2620968 0.5241936), wk = 0.0017452 k( 195) = ( 0.2580645 0.2580645 0.5161290), wk = 0.0017452 k( 196) = ( 0.2540323 0.2540323 0.5080645), wk = 0.0017452 k( 197) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0017452 k( 198) = ( 0.2459677 0.2459677 0.4919355), wk = 0.0017452 k( 199) = ( 0.2419355 0.2419355 0.4838710), wk = 0.0017452 k( 200) = ( 0.2379032 0.2379032 0.4758064), wk = 0.0017452 k( 201) = ( 0.2338710 0.2338710 0.4677419), wk = 0.0017452 k( 202) = ( 0.2298387 0.2298387 0.4596774), wk = 0.0017452 k( 203) = ( 0.2258064 0.2258064 0.4516129), wk = 0.0017452 k( 204) = ( 0.2217742 0.2217742 0.4435484), wk = 0.0017452 k( 205) = ( 0.2177419 0.2177419 0.4354839), wk = 0.0017452 k( 206) = ( 0.2137097 0.2137097 0.4274194), wk = 0.0017452 k( 207) = ( 0.2096774 0.2096774 0.4193548), wk = 0.0017452 k( 208) = ( 0.2056452 0.2056452 0.4112903), wk = 0.0017452 k( 209) = ( 0.2016129 0.2016129 0.4032258), wk = 0.0017452 k( 210) = ( 0.1975806 0.1975806 0.3951613), wk = 0.0017452 k( 211) = ( 0.1935484 0.1935484 0.3870968), wk = 0.0017452 k( 212) = ( 0.1895161 0.1895161 0.3790323), wk = 0.0017452 k( 213) = ( 0.1854839 0.1854839 0.3709677), wk = 0.0017452 k( 214) = ( 0.1814516 0.1814516 0.3629032), wk = 0.0017452 k( 215) = ( 0.1774194 0.1774194 0.3548387), wk = 0.0017452 k( 216) = ( 0.1733871 0.1733871 0.3467742), wk = 0.0017452 k( 217) = ( 0.1693548 0.1693548 0.3387097), wk = 0.0017452 k( 218) = ( 0.1653226 0.1653226 0.3306452), wk = 0.0017452 k( 219) = ( 0.1612903 0.1612903 0.3225807), wk = 0.0017452 k( 220) = ( 0.1572581 0.1572581 0.3145161), wk = 0.0017452 k( 221) = ( 0.1532258 0.1532258 0.3064516), wk = 0.0017452 k( 222) = ( 0.1491936 0.1491936 0.2983871), wk = 0.0017452 k( 223) = ( 0.1451613 0.1451613 0.2903226), wk = 0.0017452 k( 224) = ( 0.1411290 0.1411290 0.2822581), wk = 0.0017452 k( 225) = ( 0.1370968 0.1370968 0.2741936), wk = 0.0017452 k( 226) = ( 0.1330645 0.1330645 0.2661290), wk = 0.0017452 k( 227) = ( 0.1290323 0.1290323 0.2580645), wk = 0.0017452 k( 228) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0017452 k( 229) = ( 0.1209677 0.1209677 0.2419355), wk = 0.0017452 k( 230) = ( 0.1169355 0.1169355 0.2338710), wk = 0.0017452 k( 231) = ( 0.1129032 0.1129032 0.2258064), wk = 0.0017452 k( 232) = ( 0.1088710 0.1088710 0.2177419), wk = 0.0017452 k( 233) = ( 0.1048387 0.1048387 0.2096774), wk = 0.0017452 k( 234) = ( 0.1008065 0.1008065 0.2016129), wk = 0.0017452 k( 235) = ( 0.0967742 0.0967742 0.1935484), wk = 0.0017452 k( 236) = ( 0.0927419 0.0927419 0.1854839), wk = 0.0017452 k( 237) = ( 0.0887097 0.0887097 0.1774194), wk = 0.0017452 k( 238) = ( 0.0846774 0.0846774 0.1693548), wk = 0.0017452 k( 239) = ( 0.0806452 0.0806452 0.1612903), wk = 0.0017452 k( 240) = ( 0.0766129 0.0766129 0.1532258), wk = 0.0017452 k( 241) = ( 0.0725806 0.0725806 0.1451613), wk = 0.0017452 k( 242) = ( 0.0685484 0.0685484 0.1370968), wk = 0.0017452 k( 243) = ( 0.0645161 0.0645161 0.1290323), wk = 0.0017452 k( 244) = ( 0.0604839 0.0604839 0.1209677), wk = 0.0017452 k( 245) = ( 0.0564516 0.0564516 0.1129032), wk = 0.0017452 k( 246) = ( 0.0524194 0.0524194 0.1048387), wk = 0.0017452 k( 247) = ( 0.0483871 0.0483871 0.0967742), wk = 0.0017452 k( 248) = ( 0.0443548 0.0443548 0.0887097), wk = 0.0017452 k( 249) = ( 0.0403226 0.0403226 0.0806452), wk = 0.0017452 k( 250) = ( 0.0362903 0.0362903 0.0725806), wk = 0.0017452 k( 251) = ( 0.0322581 0.0322581 0.0645161), wk = 0.0017452 k( 252) = ( 0.0282258 0.0282258 0.0564516), wk = 0.0017452 k( 253) = ( 0.0241936 0.0241936 0.0483871), wk = 0.0017452 k( 254) = ( 0.0201613 0.0201613 0.0403226), wk = 0.0017452 k( 255) = ( 0.0161290 0.0161290 0.0322581), wk = 0.0017452 k( 256) = ( 0.0120968 0.0120968 0.0241936), wk = 0.0017452 k( 257) = ( 0.0080645 0.0080645 0.0161290), wk = 0.0017452 k( 258) = ( 0.0040323 0.0040323 0.0080645), wk = 0.0017452 k( 259) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017452 k( 260) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017452 k( 261) = ( 0.0065790 0.0065790 0.0065790), wk = 0.0017452 k( 262) = ( 0.0131579 0.0131579 0.0131579), wk = 0.0017452 k( 263) = ( 0.0197368 0.0197368 0.0197368), wk = 0.0017452 k( 264) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0017452 k( 265) = ( 0.0328947 0.0328947 0.0328947), wk = 0.0017452 k( 266) = ( 0.0394737 0.0394737 0.0394737), wk = 0.0017452 k( 267) = ( 0.0460526 0.0460526 0.0460526), wk = 0.0017452 k( 268) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0017452 k( 269) = ( 0.0592105 0.0592105 0.0592105), wk = 0.0017452 k( 270) = ( 0.0657895 0.0657895 0.0657895), wk = 0.0017452 k( 271) = ( 0.0723684 0.0723684 0.0723684), wk = 0.0017452 k( 272) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0017452 k( 273) = ( 0.0855263 0.0855263 0.0855263), wk = 0.0017452 k( 274) = ( 0.0921053 0.0921053 0.0921053), wk = 0.0017452 k( 275) = ( 0.0986842 0.0986842 0.0986842), wk = 0.0017452 k( 276) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0017452 k( 277) = ( 0.1118421 0.1118421 0.1118421), wk = 0.0017452 k( 278) = ( 0.1184210 0.1184210 0.1184210), wk = 0.0017452 k( 279) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0017452 k( 280) = ( 0.1315790 0.1315790 0.1315790), wk = 0.0017452 k( 281) = ( 0.1381579 0.1381579 0.1381579), wk = 0.0017452 k( 282) = ( 0.1447368 0.1447368 0.1447368), wk = 0.0017452 k( 283) = ( 0.1513158 0.1513158 0.1513158), wk = 0.0017452 k( 284) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0017452 k( 285) = ( 0.1644737 0.1644737 0.1644737), wk = 0.0017452 k( 286) = ( 0.1710526 0.1710526 0.1710526), wk = 0.0017452 k( 287) = ( 0.1776316 0.1776316 0.1776316), wk = 0.0017452 k( 288) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0017452 k( 289) = ( 0.1907895 0.1907895 0.1907895), wk = 0.0017452 k( 290) = ( 0.1973684 0.1973684 0.1973684), wk = 0.0017452 k( 291) = ( 0.2039474 0.2039474 0.2039474), wk = 0.0017452 k( 292) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0017452 k( 293) = ( 0.2171053 0.2171053 0.2171053), wk = 0.0017452 k( 294) = ( 0.2236842 0.2236842 0.2236842), wk = 0.0017452 k( 295) = ( 0.2302632 0.2302632 0.2302632), wk = 0.0017452 k( 296) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0017452 k( 297) = ( 0.2434210 0.2434210 0.2434210), wk = 0.0017452 k( 298) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0017452 k( 299) = ( 0.2565789 0.2565789 0.2565789), wk = 0.0017452 k( 300) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0017452 k( 301) = ( 0.2697368 0.2697368 0.2697368), wk = 0.0017452 k( 302) = ( 0.2763158 0.2763158 0.2763158), wk = 0.0017452 k( 303) = ( 0.2828947 0.2828947 0.2828947), wk = 0.0017452 k( 304) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0017452 k( 305) = ( 0.2960526 0.2960526 0.2960526), wk = 0.0017452 k( 306) = ( 0.3026316 0.3026316 0.3026316), wk = 0.0017452 k( 307) = ( 0.3092105 0.3092105 0.3092105), wk = 0.0017452 k( 308) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0017452 k( 309) = ( 0.3223684 0.3223684 0.3223684), wk = 0.0017452 k( 310) = ( 0.3289474 0.3289474 0.3289474), wk = 0.0017452 k( 311) = ( 0.3355263 0.3355263 0.3355263), wk = 0.0017452 k( 312) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0017452 k( 313) = ( 0.3486842 0.3486842 0.3486842), wk = 0.0017452 k( 314) = ( 0.3552632 0.3552632 0.3552632), wk = 0.0017452 k( 315) = ( 0.3618421 0.3618421 0.3618421), wk = 0.0017452 k( 316) = ( 0.3684211 0.3684211 0.3684211), wk = 0.0017452 k( 317) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0017452 k( 318) = ( 0.3815789 0.3815789 0.3815790), wk = 0.0017452 k( 319) = ( 0.3881579 0.3881579 0.3881579), wk = 0.0017452 k( 320) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0017452 k( 321) = ( 0.4013158 0.4013158 0.4013158), wk = 0.0017452 k( 322) = ( 0.4078947 0.4078947 0.4078947), wk = 0.0017452 k( 323) = ( 0.4144737 0.4144737 0.4144737), wk = 0.0017452 k( 324) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0017452 k( 325) = ( 0.4276316 0.4276316 0.4276316), wk = 0.0017452 k( 326) = ( 0.4342105 0.4342105 0.4342105), wk = 0.0017452 k( 327) = ( 0.4407895 0.4407895 0.4407895), wk = 0.0017452 k( 328) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0017452 k( 329) = ( 0.4539474 0.4539474 0.4539474), wk = 0.0017452 k( 330) = ( 0.4605263 0.4605263 0.4605263), wk = 0.0017452 k( 331) = ( 0.4671053 0.4671053 0.4671053), wk = 0.0017452 k( 332) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0017452 k( 333) = ( 0.4802632 0.4802632 0.4802632), wk = 0.0017452 k( 334) = ( 0.4868421 0.4868421 0.4868421), wk = 0.0017452 k( 335) = ( 0.4934211 0.4934211 0.4934211), wk = 0.0017452 k( 336) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0017452 k( 337) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0017452 k( 338) = ( 0.5023148 0.4953704 0.5023148), wk = 0.0017452 k( 339) = ( 0.5046296 0.4907407 0.5046296), wk = 0.0017452 k( 340) = ( 0.5069444 0.4861111 0.5069444), wk = 0.0017452 k( 341) = ( 0.5092593 0.4814815 0.5092593), wk = 0.0017452 k( 342) = ( 0.5115741 0.4768518 0.5115741), wk = 0.0017452 k( 343) = ( 0.5138889 0.4722222 0.5138889), wk = 0.0017452 k( 344) = ( 0.5162037 0.4675926 0.5162037), wk = 0.0017452 k( 345) = ( 0.5185185 0.4629630 0.5185185), wk = 0.0017452 k( 346) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0017452 k( 347) = ( 0.5231482 0.4537037 0.5231482), wk = 0.0017452 k( 348) = ( 0.5254630 0.4490741 0.5254630), wk = 0.0017452 k( 349) = ( 0.5277778 0.4444444 0.5277778), wk = 0.0017452 k( 350) = ( 0.5300926 0.4398148 0.5300926), wk = 0.0017452 k( 351) = ( 0.5324074 0.4351852 0.5324074), wk = 0.0017452 k( 352) = ( 0.5347222 0.4305556 0.5347222), wk = 0.0017452 k( 353) = ( 0.5370370 0.4259259 0.5370370), wk = 0.0017452 k( 354) = ( 0.5393518 0.4212963 0.5393518), wk = 0.0017452 k( 355) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0017452 k( 356) = ( 0.5439815 0.4120370 0.5439815), wk = 0.0017452 k( 357) = ( 0.5462963 0.4074074 0.5462963), wk = 0.0017452 k( 358) = ( 0.5486111 0.4027778 0.5486111), wk = 0.0017452 k( 359) = ( 0.5509259 0.3981481 0.5509259), wk = 0.0017452 k( 360) = ( 0.5532407 0.3935185 0.5532407), wk = 0.0017452 k( 361) = ( 0.5555556 0.3888889 0.5555556), wk = 0.0017452 k( 362) = ( 0.5578704 0.3842593 0.5578704), wk = 0.0017452 k( 363) = ( 0.5601852 0.3796296 0.5601852), wk = 0.0017452 k( 364) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0017452 k( 365) = ( 0.5648148 0.3703704 0.5648148), wk = 0.0017452 k( 366) = ( 0.5671296 0.3657407 0.5671296), wk = 0.0017452 k( 367) = ( 0.5694444 0.3611111 0.5694444), wk = 0.0017452 k( 368) = ( 0.5717593 0.3564815 0.5717593), wk = 0.0017452 k( 369) = ( 0.5740741 0.3518519 0.5740741), wk = 0.0017452 k( 370) = ( 0.5763889 0.3472222 0.5763889), wk = 0.0017452 k( 371) = ( 0.5787037 0.3425926 0.5787037), wk = 0.0017452 k( 372) = ( 0.5810185 0.3379630 0.5810185), wk = 0.0017452 k( 373) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0017452 k( 374) = ( 0.5856482 0.3287037 0.5856482), wk = 0.0017452 k( 375) = ( 0.5879630 0.3240741 0.5879630), wk = 0.0017452 k( 376) = ( 0.5902778 0.3194444 0.5902778), wk = 0.0017452 k( 377) = ( 0.5925926 0.3148148 0.5925926), wk = 0.0017452 k( 378) = ( 0.5949074 0.3101852 0.5949074), wk = 0.0017452 k( 379) = ( 0.5972222 0.3055556 0.5972222), wk = 0.0017452 k( 380) = ( 0.5995370 0.3009259 0.5995370), wk = 0.0017452 k( 381) = ( 0.6018518 0.2962963 0.6018518), wk = 0.0017452 k( 382) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0017452 k( 383) = ( 0.6064815 0.2870370 0.6064815), wk = 0.0017452 k( 384) = ( 0.6087963 0.2824074 0.6087963), wk = 0.0017452 k( 385) = ( 0.6111111 0.2777778 0.6111111), wk = 0.0017452 k( 386) = ( 0.6134259 0.2731481 0.6134259), wk = 0.0017452 k( 387) = ( 0.6157407 0.2685185 0.6157407), wk = 0.0017452 k( 388) = ( 0.6180556 0.2638889 0.6180556), wk = 0.0017452 k( 389) = ( 0.6203704 0.2592593 0.6203704), wk = 0.0017452 k( 390) = ( 0.6226852 0.2546296 0.6226852), wk = 0.0017452 k( 391) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0017452 k( 392) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0017452 k( 393) = ( 0.6209677 0.2500000 0.6290323), wk = 0.0017452 k( 394) = ( 0.6169355 0.2500000 0.6330645), wk = 0.0017452 k( 395) = ( 0.6129032 0.2500000 0.6370968), wk = 0.0017452 k( 396) = ( 0.6088710 0.2500000 0.6411290), wk = 0.0017452 k( 397) = ( 0.6048387 0.2500000 0.6451613), wk = 0.0017452 k( 398) = ( 0.6008064 0.2500000 0.6491936), wk = 0.0017452 k( 399) = ( 0.5967742 0.2500000 0.6532258), wk = 0.0017452 k( 400) = ( 0.5927419 0.2500000 0.6572581), wk = 0.0017452 k( 401) = ( 0.5887097 0.2500000 0.6612903), wk = 0.0017452 k( 402) = ( 0.5846774 0.2500000 0.6653226), wk = 0.0017452 k( 403) = ( 0.5806452 0.2500000 0.6693548), wk = 0.0017452 k( 404) = ( 0.5766129 0.2500000 0.6733871), wk = 0.0017452 k( 405) = ( 0.5725807 0.2500000 0.6774193), wk = 0.0017452 k( 406) = ( 0.5685484 0.2500000 0.6814516), wk = 0.0017452 k( 407) = ( 0.5645161 0.2500000 0.6854839), wk = 0.0017452 k( 408) = ( 0.5604839 0.2500000 0.6895161), wk = 0.0017452 k( 409) = ( 0.5564516 0.2500000 0.6935484), wk = 0.0017452 k( 410) = ( 0.5524193 0.2500000 0.6975807), wk = 0.0017452 k( 411) = ( 0.5483871 0.2500000 0.7016129), wk = 0.0017452 k( 412) = ( 0.5443548 0.2500000 0.7056452), wk = 0.0017452 k( 413) = ( 0.5403226 0.2500000 0.7096774), wk = 0.0017452 k( 414) = ( 0.5362903 0.2500000 0.7137097), wk = 0.0017452 k( 415) = ( 0.5322581 0.2500000 0.7177419), wk = 0.0017452 k( 416) = ( 0.5282258 0.2500000 0.7217742), wk = 0.0017452 k( 417) = ( 0.5241936 0.2500000 0.7258064), wk = 0.0017452 k( 418) = ( 0.5201613 0.2500000 0.7298387), wk = 0.0017452 k( 419) = ( 0.5161290 0.2500000 0.7338710), wk = 0.0017452 k( 420) = ( 0.5120968 0.2500000 0.7379032), wk = 0.0017452 k( 421) = ( 0.5080645 0.2500000 0.7419355), wk = 0.0017452 k( 422) = ( 0.5040323 0.2500000 0.7459677), wk = 0.0017452 k( 423) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0017452 k( 424) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0017452 k( 425) = ( 0.5000000 0.2540323 0.7459677), wk = 0.0017452 k( 426) = ( 0.5000000 0.2580645 0.7419355), wk = 0.0017452 k( 427) = ( 0.5000000 0.2620968 0.7379032), wk = 0.0017452 k( 428) = ( 0.5000000 0.2661290 0.7338710), wk = 0.0017452 k( 429) = ( 0.5000000 0.2701613 0.7298387), wk = 0.0017452 k( 430) = ( 0.5000000 0.2741936 0.7258064), wk = 0.0017452 k( 431) = ( 0.5000000 0.2782258 0.7217742), wk = 0.0017452 k( 432) = ( 0.5000000 0.2822581 0.7177419), wk = 0.0017452 k( 433) = ( 0.5000000 0.2862903 0.7137097), wk = 0.0017452 k( 434) = ( 0.5000000 0.2903226 0.7096774), wk = 0.0017452 k( 435) = ( 0.5000000 0.2943548 0.7056452), wk = 0.0017452 k( 436) = ( 0.5000000 0.2983871 0.7016129), wk = 0.0017452 k( 437) = ( 0.5000000 0.3024193 0.6975807), wk = 0.0017452 k( 438) = ( 0.5000000 0.3064516 0.6935484), wk = 0.0017452 k( 439) = ( 0.5000000 0.3104839 0.6895161), wk = 0.0017452 k( 440) = ( 0.5000000 0.3145161 0.6854839), wk = 0.0017452 k( 441) = ( 0.5000000 0.3185484 0.6814516), wk = 0.0017452 k( 442) = ( 0.5000000 0.3225807 0.6774193), wk = 0.0017452 k( 443) = ( 0.5000000 0.3266129 0.6733871), wk = 0.0017452 k( 444) = ( 0.5000000 0.3306452 0.6693548), wk = 0.0017452 k( 445) = ( 0.5000000 0.3346774 0.6653226), wk = 0.0017452 k( 446) = ( 0.5000000 0.3387097 0.6612903), wk = 0.0017452 k( 447) = ( 0.5000000 0.3427419 0.6572581), wk = 0.0017452 k( 448) = ( 0.5000000 0.3467742 0.6532258), wk = 0.0017452 k( 449) = ( 0.5000000 0.3508064 0.6491936), wk = 0.0017452 k( 450) = ( 0.5000000 0.3548387 0.6451613), wk = 0.0017452 k( 451) = ( 0.5000000 0.3588710 0.6411290), wk = 0.0017452 k( 452) = ( 0.5000000 0.3629032 0.6370968), wk = 0.0017452 k( 453) = ( 0.5000000 0.3669355 0.6330645), wk = 0.0017452 k( 454) = ( 0.5000000 0.3709677 0.6290323), wk = 0.0017452 k( 455) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0017452 k( 456) = ( 0.5000000 0.3790323 0.6209677), wk = 0.0017452 k( 457) = ( 0.5000000 0.3830645 0.6169355), wk = 0.0017452 k( 458) = ( 0.5000000 0.3870968 0.6129032), wk = 0.0017452 k( 459) = ( 0.5000000 0.3911290 0.6088710), wk = 0.0017452 k( 460) = ( 0.5000000 0.3951613 0.6048387), wk = 0.0017452 k( 461) = ( 0.5000000 0.3991936 0.6008064), wk = 0.0017452 k( 462) = ( 0.5000000 0.4032258 0.5967742), wk = 0.0017452 k( 463) = ( 0.5000000 0.4072581 0.5927419), wk = 0.0017452 k( 464) = ( 0.5000000 0.4112903 0.5887097), wk = 0.0017452 k( 465) = ( 0.5000000 0.4153226 0.5846774), wk = 0.0017452 k( 466) = ( 0.5000000 0.4193548 0.5806452), wk = 0.0017452 k( 467) = ( 0.5000000 0.4233871 0.5766129), wk = 0.0017452 k( 468) = ( 0.5000000 0.4274193 0.5725807), wk = 0.0017452 k( 469) = ( 0.5000000 0.4314516 0.5685484), wk = 0.0017452 k( 470) = ( 0.5000000 0.4354839 0.5645161), wk = 0.0017452 k( 471) = ( 0.5000000 0.4395161 0.5604839), wk = 0.0017452 k( 472) = ( 0.5000000 0.4435484 0.5564516), wk = 0.0017452 k( 473) = ( 0.5000000 0.4475807 0.5524193), wk = 0.0017452 k( 474) = ( 0.5000000 0.4516129 0.5483871), wk = 0.0017452 k( 475) = ( 0.5000000 0.4556452 0.5443548), wk = 0.0017452 k( 476) = ( 0.5000000 0.4596774 0.5403226), wk = 0.0017452 k( 477) = ( 0.5000000 0.4637097 0.5362903), wk = 0.0017452 k( 478) = ( 0.5000000 0.4677419 0.5322581), wk = 0.0017452 k( 479) = ( 0.5000000 0.4717742 0.5282258), wk = 0.0017452 k( 480) = ( 0.5000000 0.4758064 0.5241936), wk = 0.0017452 k( 481) = ( 0.5000000 0.4798387 0.5201613), wk = 0.0017452 k( 482) = ( 0.5000000 0.4838710 0.5161290), wk = 0.0017452 k( 483) = ( 0.5000000 0.4879032 0.5120968), wk = 0.0017452 k( 484) = ( 0.5000000 0.4919355 0.5080645), wk = 0.0017452 k( 485) = ( 0.5000000 0.4959677 0.5040323), wk = 0.0017452 k( 486) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0017452 k( 487) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0017452 k( 488) = ( 0.4976852 0.4976852 0.5046296), wk = 0.0017452 k( 489) = ( 0.4953704 0.4953704 0.5092593), wk = 0.0017452 k( 490) = ( 0.4930556 0.4930556 0.5138889), wk = 0.0017452 k( 491) = ( 0.4907407 0.4907407 0.5185185), wk = 0.0017452 k( 492) = ( 0.4884259 0.4884259 0.5231482), wk = 0.0017452 k( 493) = ( 0.4861111 0.4861111 0.5277778), wk = 0.0017452 k( 494) = ( 0.4837963 0.4837963 0.5324074), wk = 0.0017452 k( 495) = ( 0.4814815 0.4814815 0.5370370), wk = 0.0017452 k( 496) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0017452 k( 497) = ( 0.4768519 0.4768518 0.5462963), wk = 0.0017452 k( 498) = ( 0.4745370 0.4745370 0.5509259), wk = 0.0017452 k( 499) = ( 0.4722222 0.4722222 0.5555556), wk = 0.0017452 k( 500) = ( 0.4699074 0.4699074 0.5601852), wk = 0.0017452 k( 501) = ( 0.4675926 0.4675926 0.5648148), wk = 0.0017452 k( 502) = ( 0.4652778 0.4652778 0.5694444), wk = 0.0017452 k( 503) = ( 0.4629630 0.4629630 0.5740741), wk = 0.0017452 k( 504) = ( 0.4606481 0.4606481 0.5787037), wk = 0.0017452 k( 505) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0017452 k( 506) = ( 0.4560185 0.4560185 0.5879630), wk = 0.0017452 k( 507) = ( 0.4537037 0.4537037 0.5925926), wk = 0.0017452 k( 508) = ( 0.4513889 0.4513889 0.5972222), wk = 0.0017452 k( 509) = ( 0.4490741 0.4490741 0.6018518), wk = 0.0017452 k( 510) = ( 0.4467593 0.4467593 0.6064815), wk = 0.0017452 k( 511) = ( 0.4444444 0.4444444 0.6111111), wk = 0.0017452 k( 512) = ( 0.4421296 0.4421296 0.6157407), wk = 0.0017452 k( 513) = ( 0.4398148 0.4398148 0.6203704), wk = 0.0017452 k( 514) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0017452 k( 515) = ( 0.4351852 0.4351852 0.6296296), wk = 0.0017452 k( 516) = ( 0.4328704 0.4328704 0.6342593), wk = 0.0017452 k( 517) = ( 0.4305556 0.4305556 0.6388889), wk = 0.0017452 k( 518) = ( 0.4282407 0.4282407 0.6435185), wk = 0.0017452 k( 519) = ( 0.4259259 0.4259259 0.6481482), wk = 0.0017452 k( 520) = ( 0.4236111 0.4236111 0.6527778), wk = 0.0017452 k( 521) = ( 0.4212963 0.4212963 0.6574074), wk = 0.0017452 k( 522) = ( 0.4189815 0.4189815 0.6620370), wk = 0.0017452 k( 523) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0017452 k( 524) = ( 0.4143519 0.4143519 0.6712963), wk = 0.0017452 k( 525) = ( 0.4120370 0.4120370 0.6759259), wk = 0.0017452 k( 526) = ( 0.4097222 0.4097222 0.6805556), wk = 0.0017452 k( 527) = ( 0.4074074 0.4074074 0.6851852), wk = 0.0017452 k( 528) = ( 0.4050926 0.4050926 0.6898148), wk = 0.0017452 k( 529) = ( 0.4027778 0.4027778 0.6944444), wk = 0.0017452 k( 530) = ( 0.4004630 0.4004630 0.6990741), wk = 0.0017452 k( 531) = ( 0.3981481 0.3981481 0.7037037), wk = 0.0017452 k( 532) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0017452 k( 533) = ( 0.3935185 0.3935185 0.7129630), wk = 0.0017452 k( 534) = ( 0.3912037 0.3912037 0.7175926), wk = 0.0017452 k( 535) = ( 0.3888889 0.3888889 0.7222222), wk = 0.0017452 k( 536) = ( 0.3865741 0.3865741 0.7268518), wk = 0.0017452 k( 537) = ( 0.3842593 0.3842593 0.7314815), wk = 0.0017452 k( 538) = ( 0.3819444 0.3819444 0.7361111), wk = 0.0017452 k( 539) = ( 0.3796296 0.3796296 0.7407407), wk = 0.0017452 k( 540) = ( 0.3773148 0.3773148 0.7453704), wk = 0.0017452 k( 541) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0017452 k( 542) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0017452 k( 543) = ( 0.6209677 0.2419355 0.6209677), wk = 0.0017452 k( 544) = ( 0.6169355 0.2338710 0.6169355), wk = 0.0017452 k( 545) = ( 0.6129032 0.2258065 0.6129032), wk = 0.0017452 k( 546) = ( 0.6088710 0.2177419 0.6088710), wk = 0.0017452 k( 547) = ( 0.6048387 0.2096774 0.6048387), wk = 0.0017452 k( 548) = ( 0.6008064 0.2016129 0.6008064), wk = 0.0017452 k( 549) = ( 0.5967742 0.1935484 0.5967742), wk = 0.0017452 k( 550) = ( 0.5927419 0.1854839 0.5927419), wk = 0.0017452 k( 551) = ( 0.5887097 0.1774193 0.5887097), wk = 0.0017452 k( 552) = ( 0.5846774 0.1693548 0.5846774), wk = 0.0017452 k( 553) = ( 0.5806452 0.1612903 0.5806452), wk = 0.0017452 k( 554) = ( 0.5766129 0.1532258 0.5766129), wk = 0.0017452 k( 555) = ( 0.5725807 0.1451613 0.5725807), wk = 0.0017452 k( 556) = ( 0.5685484 0.1370968 0.5685484), wk = 0.0017452 k( 557) = ( 0.5645161 0.1290323 0.5645161), wk = 0.0017452 k( 558) = ( 0.5604839 0.1209677 0.5604839), wk = 0.0017452 k( 559) = ( 0.5564516 0.1129032 0.5564516), wk = 0.0017452 k( 560) = ( 0.5524193 0.1048387 0.5524193), wk = 0.0017452 k( 561) = ( 0.5483871 0.0967742 0.5483871), wk = 0.0017452 k( 562) = ( 0.5443548 0.0887097 0.5443548), wk = 0.0017452 k( 563) = ( 0.5403226 0.0806452 0.5403226), wk = 0.0017452 k( 564) = ( 0.5362903 0.0725806 0.5362903), wk = 0.0017452 k( 565) = ( 0.5322581 0.0645161 0.5322581), wk = 0.0017452 k( 566) = ( 0.5282258 0.0564516 0.5282258), wk = 0.0017452 k( 567) = ( 0.5241936 0.0483871 0.5241936), wk = 0.0017452 k( 568) = ( 0.5201613 0.0403226 0.5201613), wk = 0.0017452 k( 569) = ( 0.5161290 0.0322581 0.5161290), wk = 0.0017452 k( 570) = ( 0.5120968 0.0241935 0.5120968), wk = 0.0017452 k( 571) = ( 0.5080645 0.0161290 0.5080645), wk = 0.0017452 k( 572) = ( 0.5040323 0.0080645 0.5040323), wk = 0.0017452 k( 573) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0017452 Dense grid: 4909 G-vectors FFT dimensions: ( 24, 24, 24) Smooth grid: 2891 G-vectors FFT dimensions: ( 20, 20, 20) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 26, 18) NL pseudopotentials 0.01 Mb ( 13, 34) Each V/rho on FFT grid 0.01 Mb ( 576) Each G-vector array 0.00 Mb ( 136) G-vector shells 0.00 Mb ( 65) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.03 Mb ( 26, 72) Each subspace H/S matrix 0.00 Mb ( 18, 18) Each matrix 0.02 Mb ( 34, 2, 18) The potential is recalculated from file : ./Ni.save/charge-density.dat Starting wfc are 18 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 1.7 secs Computing kpt #: 3 total cpu time spent up to now is 1.7 secs Computing kpt #: 4 total cpu time spent up to now is 1.8 secs Computing kpt #: 5 total cpu time spent up to now is 1.8 secs Computing kpt #: 6 total cpu time spent up to now is 1.9 secs Computing kpt #: 7 total cpu time spent up to now is 2.0 secs Computing kpt #: 8 total cpu time spent up to now is 2.0 secs Computing kpt #: 9 total cpu time spent up to now is 2.1 secs Computing kpt #: 10 total cpu time spent up to now is 2.1 secs Computing kpt #: 11 total cpu time spent up to now is 2.2 secs Computing kpt #: 12 total cpu time spent up to now is 2.3 secs Computing kpt #: 13 total cpu time spent up to now is 2.3 secs Computing kpt #: 14 total cpu time spent up to now is 2.4 secs Computing kpt #: 15 total cpu time spent up to now is 2.5 secs Computing kpt #: 16 total cpu time spent up to now is 2.5 secs Computing kpt #: 17 total cpu time spent up to now is 2.6 secs Computing kpt #: 18 total cpu time spent up to now is 2.7 secs Computing kpt #: 19 total cpu time spent up to now is 2.7 secs Computing kpt #: 20 total cpu time spent up to now is 2.8 secs Computing kpt #: 21 total cpu time spent up to now is 2.8 secs Computing kpt #: 22 total cpu time spent up to now is 2.9 secs Computing kpt #: 23 total cpu time spent up to now is 3.0 secs Computing kpt #: 24 total cpu time spent up to now is 3.0 secs Computing kpt #: 25 total cpu time spent up to now is 3.1 secs Computing kpt #: 26 total cpu time spent up to now is 3.1 secs Computing kpt #: 27 total cpu time spent up to now is 3.2 secs Computing kpt #: 28 total cpu time spent up to now is 3.2 secs Computing kpt #: 29 total cpu time spent up to now is 3.3 secs Computing kpt #: 30 total cpu time spent up to now is 3.4 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 3.5 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 3.7 secs Computing kpt #: 37 total cpu time spent up to now is 3.8 secs Computing kpt #: 38 total cpu time spent up to now is 3.8 secs Computing kpt #: 39 total cpu time spent up to now is 3.9 secs Computing kpt #: 40 total cpu time spent up to now is 4.0 secs Computing kpt #: 41 total cpu time spent up to now is 4.0 secs Computing kpt #: 42 total cpu time spent up to now is 4.1 secs Computing kpt #: 43 total cpu time spent up to now is 4.2 secs Computing kpt #: 44 total cpu time spent up to now is 4.2 secs Computing kpt #: 45 total cpu time spent up to now is 4.3 secs Computing kpt #: 46 total cpu time spent up to now is 4.3 secs Computing kpt #: 47 total cpu time spent up to now is 4.4 secs Computing kpt #: 48 total cpu time spent up to now is 4.5 secs Computing kpt #: 49 total cpu time spent up to now is 4.5 secs Computing kpt #: 50 total cpu time spent up to now is 4.6 secs Computing kpt #: 51 total cpu time spent up to now is 4.6 secs Computing kpt #: 52 total cpu time spent up to now is 4.7 secs Computing kpt #: 53 total cpu time spent up to now is 4.7 secs Computing kpt #: 54 total cpu time spent up to now is 4.8 secs Computing kpt #: 55 total cpu time spent up to now is 4.8 secs Computing kpt #: 56 total cpu time spent up to now is 4.8 secs Computing kpt #: 57 total cpu time spent up to now is 4.9 secs Computing kpt #: 58 total cpu time spent up to now is 4.9 secs Computing kpt #: 59 total cpu time spent up to now is 5.0 secs Computing kpt #: 60 total cpu time spent up to now is 5.0 secs Computing kpt #: 61 total cpu time spent up to now is 5.0 secs Computing kpt #: 62 total cpu time spent up to now is 5.1 secs Computing kpt #: 63 total cpu time spent up to now is 5.1 secs Computing kpt #: 64 total cpu time spent up to now is 5.2 secs Computing kpt #: 65 total cpu time spent up to now is 5.2 secs Computing kpt #: 66 total cpu time spent up to now is 5.2 secs Computing kpt #: 67 total cpu time spent up to now is 5.3 secs Computing kpt #: 68 total cpu time spent up to now is 5.3 secs Computing kpt #: 69 total cpu time spent up to now is 5.4 secs Computing kpt #: 70 total cpu time spent up to now is 5.4 secs Computing kpt #: 71 total cpu time spent up to now is 5.4 secs Computing kpt #: 72 total cpu time spent up to now is 5.5 secs Computing kpt #: 73 total cpu time spent up to now is 5.5 secs Computing kpt #: 74 total cpu time spent up to now is 5.5 secs Computing kpt #: 75 total cpu time spent up to now is 5.6 secs Computing kpt #: 76 total cpu time spent up to now is 5.6 secs Computing kpt #: 77 total cpu time spent up to now is 5.6 secs Computing kpt #: 78 total cpu time spent up to now is 5.7 secs Computing kpt #: 79 total cpu time spent up to now is 5.7 secs Computing kpt #: 80 total cpu time spent up to now is 5.7 secs Computing kpt #: 81 total cpu time spent up to now is 5.8 secs Computing kpt #: 82 total cpu time spent up to now is 5.8 secs Computing kpt #: 83 total cpu time spent up to now is 5.8 secs Computing kpt #: 84 total cpu time spent up to now is 5.9 secs Computing kpt #: 85 total cpu time spent up to now is 5.9 secs Computing kpt #: 86 total cpu time spent up to now is 6.0 secs Computing kpt #: 87 total cpu time spent up to now is 6.0 secs Computing kpt #: 88 total cpu time spent up to now is 6.0 secs Computing kpt #: 89 total cpu time spent up to now is 6.1 secs Computing kpt #: 90 total cpu time spent up to now is 6.1 secs Computing kpt #: 91 total cpu time spent up to now is 6.1 secs Computing kpt #: 92 total cpu time spent up to now is 6.2 secs Computing kpt #: 93 total cpu time spent up to now is 6.2 secs Computing kpt #: 94 total cpu time spent up to now is 6.2 secs Computing kpt #: 95 total cpu time spent up to now is 6.3 secs Computing kpt #: 96 total cpu time spent up to now is 6.3 secs Computing kpt #: 97 total cpu time spent up to now is 6.3 secs Computing kpt #: 98 total cpu time spent up to now is 6.4 secs Computing kpt #: 99 total cpu time spent up to now is 6.4 secs Computing kpt #: 100 total cpu time spent up to now is 6.4 secs Computing kpt #: 101 total cpu time spent up to now is 6.5 secs Computing kpt #: 102 total cpu time spent up to now is 6.5 secs Computing kpt #: 103 total cpu time spent up to now is 6.5 secs Computing kpt #: 104 total cpu time spent up to now is 6.6 secs Computing kpt #: 105 total cpu time spent up to now is 6.6 secs Computing kpt #: 106 total cpu time spent up to now is 6.6 secs Computing kpt #: 107 total cpu time spent up to now is 6.7 secs Computing kpt #: 108 total cpu time spent up to now is 6.7 secs Computing kpt #: 109 total cpu time spent up to now is 6.7 secs Computing kpt #: 110 total cpu time spent up to now is 6.8 secs Computing kpt #: 111 total cpu time spent up to now is 6.8 secs Computing kpt #: 112 total cpu time spent up to now is 6.9 secs Computing kpt #: 113 total cpu time spent up to now is 6.9 secs Computing kpt #: 114 total cpu time spent up to now is 6.9 secs Computing kpt #: 115 total cpu time spent up to now is 6.9 secs Computing kpt #: 116 total cpu time spent up to now is 7.0 secs Computing kpt #: 117 total cpu time spent up to now is 7.0 secs Computing kpt #: 118 total cpu time spent up to now is 7.0 secs Computing kpt #: 119 total cpu time spent up to now is 7.1 secs Computing kpt #: 120 total cpu time spent up to now is 7.1 secs Computing kpt #: 121 total cpu time spent up to now is 7.1 secs Computing kpt #: 122 total cpu time spent up to now is 7.2 secs Computing kpt #: 123 total cpu time spent up to now is 7.2 secs Computing kpt #: 124 total cpu time spent up to now is 7.2 secs Computing kpt #: 125 total cpu time spent up to now is 7.3 secs Computing kpt #: 126 total cpu time spent up to now is 7.3 secs Computing kpt #: 127 total cpu time spent up to now is 7.3 secs Computing kpt #: 128 total cpu time spent up to now is 7.4 secs Computing kpt #: 129 total cpu time spent up to now is 7.4 secs Computing kpt #: 130 total cpu time spent up to now is 7.6 secs Computing kpt #: 131 total cpu time spent up to now is 7.6 secs Computing kpt #: 132 total cpu time spent up to now is 7.7 secs Computing kpt #: 133 total cpu time spent up to now is 7.7 secs Computing kpt #: 134 total cpu time spent up to now is 7.7 secs Computing kpt #: 135 total cpu time spent up to now is 7.8 secs Computing kpt #: 136 total cpu time spent up to now is 7.8 secs Computing kpt #: 137 total cpu time spent up to now is 7.8 secs Computing kpt #: 138 total cpu time spent up to now is 7.9 secs Computing kpt #: 139 total cpu time spent up to now is 7.9 secs Computing kpt #: 140 total cpu time spent up to now is 7.9 secs Computing kpt #: 141 total cpu time spent up to now is 8.0 secs Computing kpt #: 142 total cpu time spent up to now is 8.0 secs Computing kpt #: 143 total cpu time spent up to now is 8.0 secs Computing kpt #: 144 total cpu time spent up to now is 8.1 secs Computing kpt #: 145 total cpu time spent up to now is 8.1 secs Computing kpt #: 146 total cpu time spent up to now is 8.1 secs Computing kpt #: 147 total cpu time spent up to now is 8.2 secs Computing kpt #: 148 total cpu time spent up to now is 8.2 secs Computing kpt #: 149 total cpu time spent up to now is 8.3 secs Computing kpt #: 150 total cpu time spent up to now is 8.3 secs Computing kpt #: 151 total cpu time spent up to now is 8.3 secs Computing kpt #: 152 total cpu time spent up to now is 8.4 secs Computing kpt #: 153 total cpu time spent up to now is 8.4 secs Computing kpt #: 154 total cpu time spent up to now is 8.4 secs Computing kpt #: 155 total cpu time spent up to now is 8.5 secs Computing kpt #: 156 total cpu time spent up to now is 8.5 secs Computing kpt #: 157 total cpu time spent up to now is 8.5 secs Computing kpt #: 158 total cpu time spent up to now is 8.6 secs Computing kpt #: 159 total cpu time spent up to now is 8.6 secs Computing kpt #: 160 total cpu time spent up to now is 8.7 secs Computing kpt #: 161 total cpu time spent up to now is 8.7 secs Computing kpt #: 162 total cpu time spent up to now is 8.7 secs Computing kpt #: 163 total cpu time spent up to now is 8.8 secs Computing kpt #: 164 total cpu time spent up to now is 8.8 secs Computing kpt #: 165 total cpu time spent up to now is 8.8 secs Computing kpt #: 166 total cpu time spent up to now is 8.9 secs Computing kpt #: 167 total cpu time spent up to now is 8.9 secs Computing kpt #: 168 total cpu time spent up to now is 9.0 secs Computing kpt #: 169 total cpu time spent up to now is 9.0 secs Computing kpt #: 170 total cpu time spent up to now is 9.0 secs Computing kpt #: 171 total cpu time spent up to now is 9.1 secs Computing kpt #: 172 total cpu time spent up to now is 9.1 secs Computing kpt #: 173 total cpu time spent up to now is 9.1 secs Computing kpt #: 174 total cpu time spent up to now is 9.2 secs Computing kpt #: 175 total cpu time spent up to now is 9.2 secs Computing kpt #: 176 total cpu time spent up to now is 9.3 secs Computing kpt #: 177 total cpu time spent up to now is 9.3 secs Computing kpt #: 178 total cpu time spent up to now is 9.4 secs Computing kpt #: 179 total cpu time spent up to now is 9.4 secs Computing kpt #: 180 total cpu time spent up to now is 9.4 secs Computing kpt #: 181 total cpu time spent up to now is 9.5 secs Computing kpt #: 182 total cpu time spent up to now is 9.5 secs Computing kpt #: 183 total cpu time spent up to now is 9.6 secs Computing kpt #: 184 total cpu time spent up to now is 9.6 secs Computing kpt #: 185 total cpu time spent up to now is 9.7 secs Computing kpt #: 186 total cpu time spent up to now is 9.7 secs Computing kpt #: 187 total cpu time spent up to now is 9.8 secs Computing kpt #: 188 total cpu time spent up to now is 9.8 secs Computing kpt #: 189 total cpu time spent up to now is 9.9 secs Computing kpt #: 190 total cpu time spent up to now is 9.9 secs Computing kpt #: 191 total cpu time spent up to now is 10.0 secs Computing kpt #: 192 total cpu time spent up to now is 10.0 secs Computing kpt #: 193 total cpu time spent up to now is 10.1 secs Computing kpt #: 194 total cpu time spent up to now is 10.1 secs Computing kpt #: 195 total cpu time spent up to now is 10.1 secs Computing kpt #: 196 total cpu time spent up to now is 10.2 secs Computing kpt #: 197 total cpu time spent up to now is 10.2 secs Computing kpt #: 198 total cpu time spent up to now is 10.3 secs Computing kpt #: 199 total cpu time spent up to now is 10.3 secs Computing kpt #: 200 total cpu time spent up to now is 10.4 secs Computing kpt #: 201 total cpu time spent up to now is 10.4 secs Computing kpt #: 202 total cpu time spent up to now is 10.5 secs Computing kpt #: 203 total cpu time spent up to now is 10.6 secs Computing kpt #: 204 total cpu time spent up to now is 10.6 secs Computing kpt #: 205 total cpu time spent up to now is 10.7 secs Computing kpt #: 206 total cpu time spent up to now is 10.8 secs Computing kpt #: 207 total cpu time spent up to now is 10.8 secs Computing kpt #: 208 total cpu time spent up to now is 10.9 secs Computing kpt #: 209 total cpu time spent up to now is 11.0 secs Computing kpt #: 210 total cpu time spent up to now is 11.1 secs Computing kpt #: 211 total cpu time spent up to now is 11.2 secs Computing kpt #: 212 total cpu time spent up to now is 11.2 secs Computing kpt #: 213 total cpu time spent up to now is 11.4 secs Computing kpt #: 214 total cpu time spent up to now is 11.4 secs Computing kpt #: 215 total cpu time spent up to now is 11.5 secs Computing kpt #: 216 total cpu time spent up to now is 11.6 secs Computing kpt #: 217 total cpu time spent up to now is 11.7 secs Computing kpt #: 218 total cpu time spent up to now is 11.8 secs Computing kpt #: 219 total cpu time spent up to now is 11.9 secs Computing kpt #: 220 total cpu time spent up to now is 12.0 secs Computing kpt #: 221 total cpu time spent up to now is 12.0 secs Computing kpt #: 222 total cpu time spent up to now is 12.1 secs Computing kpt #: 223 total cpu time spent up to now is 12.3 secs Computing kpt #: 224 total cpu time spent up to now is 12.4 secs Computing kpt #: 225 total cpu time spent up to now is 12.5 secs Computing kpt #: 226 total cpu time spent up to now is 12.6 secs Computing kpt #: 227 total cpu time spent up to now is 12.7 secs Computing kpt #: 228 total cpu time spent up to now is 12.8 secs Computing kpt #: 229 total cpu time spent up to now is 12.8 secs Computing kpt #: 230 total cpu time spent up to now is 12.9 secs Computing kpt #: 231 total cpu time spent up to now is 13.0 secs Computing kpt #: 232 total cpu time spent up to now is 13.1 secs Computing kpt #: 233 total cpu time spent up to now is 13.1 secs Computing kpt #: 234 total cpu time spent up to now is 13.2 secs Computing kpt #: 235 total cpu time spent up to now is 13.3 secs Computing kpt #: 236 total cpu time spent up to now is 13.3 secs Computing kpt #: 237 total cpu time spent up to now is 13.4 secs Computing kpt #: 238 total cpu time spent up to now is 13.5 secs Computing kpt #: 239 total cpu time spent up to now is 13.5 secs Computing kpt #: 240 total cpu time spent up to now is 13.6 secs Computing kpt #: 241 total cpu time spent up to now is 13.7 secs Computing kpt #: 242 total cpu time spent up to now is 13.7 secs Computing kpt #: 243 total cpu time spent up to now is 13.8 secs Computing kpt #: 244 total cpu time spent up to now is 13.9 secs Computing kpt #: 245 total cpu time spent up to now is 13.9 secs Computing kpt #: 246 total cpu time spent up to now is 14.0 secs Computing kpt #: 247 total cpu time spent up to now is 14.1 secs Computing kpt #: 248 total cpu time spent up to now is 14.1 secs Computing kpt #: 249 total cpu time spent up to now is 14.2 secs Computing kpt #: 250 total cpu time spent up to now is 14.3 secs Computing kpt #: 251 total cpu time spent up to now is 14.3 secs Computing kpt #: 252 total cpu time spent up to now is 14.4 secs Computing kpt #: 253 total cpu time spent up to now is 14.5 secs Computing kpt #: 254 total cpu time spent up to now is 14.6 secs Computing kpt #: 255 total cpu time spent up to now is 14.6 secs Computing kpt #: 256 total cpu time spent up to now is 14.7 secs Computing kpt #: 257 total cpu time spent up to now is 14.8 secs Computing kpt #: 258 total cpu time spent up to now is 14.8 secs Computing kpt #: 259 total cpu time spent up to now is 14.9 secs Computing kpt #: 260 total cpu time spent up to now is 14.9 secs Computing kpt #: 261 total cpu time spent up to now is 15.0 secs Computing kpt #: 262 total cpu time spent up to now is 15.1 secs Computing kpt #: 263 total cpu time spent up to now is 15.1 secs Computing kpt #: 264 total cpu time spent up to now is 15.2 secs Computing kpt #: 265 total cpu time spent up to now is 15.3 secs Computing kpt #: 266 total cpu time spent up to now is 15.3 secs Computing kpt #: 267 total cpu time spent up to now is 15.4 secs Computing kpt #: 268 total cpu time spent up to now is 15.5 secs Computing kpt #: 269 total cpu time spent up to now is 15.5 secs Computing kpt #: 270 total cpu time spent up to now is 15.6 secs Computing kpt #: 271 total cpu time spent up to now is 15.6 secs Computing kpt #: 272 total cpu time spent up to now is 15.7 secs Computing kpt #: 273 total cpu time spent up to now is 15.8 secs Computing kpt #: 274 total cpu time spent up to now is 15.8 secs Computing kpt #: 275 total cpu time spent up to now is 15.9 secs Computing kpt #: 276 total cpu time spent up to now is 16.0 secs Computing kpt #: 277 total cpu time spent up to now is 16.1 secs Computing kpt #: 278 total cpu time spent up to now is 16.1 secs Computing kpt #: 279 total cpu time spent up to now is 16.2 secs Computing kpt #: 280 total cpu time spent up to now is 16.3 secs Computing kpt #: 281 total cpu time spent up to now is 16.4 secs Computing kpt #: 282 total cpu time spent up to now is 16.4 secs Computing kpt #: 283 total cpu time spent up to now is 16.5 secs Computing kpt #: 284 total cpu time spent up to now is 16.6 secs Computing kpt #: 285 total cpu time spent up to now is 16.7 secs Computing kpt #: 286 total cpu time spent up to now is 16.7 secs Computing kpt #: 287 total cpu time spent up to now is 16.8 secs Computing kpt #: 288 total cpu time spent up to now is 16.9 secs Computing kpt #: 289 total cpu time spent up to now is 17.0 secs Computing kpt #: 290 total cpu time spent up to now is 17.0 secs Computing kpt #: 291 total cpu time spent up to now is 17.1 secs Computing kpt #: 292 total cpu time spent up to now is 17.2 secs Computing kpt #: 293 total cpu time spent up to now is 17.2 secs Computing kpt #: 294 total cpu time spent up to now is 17.3 secs Computing kpt #: 295 total cpu time spent up to now is 17.4 secs Computing kpt #: 296 total cpu time spent up to now is 17.8 secs Computing kpt #: 297 total cpu time spent up to now is 17.9 secs Computing kpt #: 298 total cpu time spent up to now is 18.0 secs Computing kpt #: 299 total cpu time spent up to now is 18.0 secs Computing kpt #: 300 total cpu time spent up to now is 18.1 secs Computing kpt #: 301 total cpu time spent up to now is 18.2 secs Computing kpt #: 302 total cpu time spent up to now is 18.3 secs Computing kpt #: 303 total cpu time spent up to now is 18.3 secs Computing kpt #: 304 total cpu time spent up to now is 18.4 secs Computing kpt #: 305 total cpu time spent up to now is 18.5 secs Computing kpt #: 306 total cpu time spent up to now is 18.5 secs Computing kpt #: 307 total cpu time spent up to now is 18.6 secs Computing kpt #: 308 total cpu time spent up to now is 18.7 secs Computing kpt #: 309 total cpu time spent up to now is 18.7 secs Computing kpt #: 310 total cpu time spent up to now is 18.8 secs Computing kpt #: 311 total cpu time spent up to now is 18.9 secs Computing kpt #: 312 total cpu time spent up to now is 18.9 secs Computing kpt #: 313 total cpu time spent up to now is 19.0 secs Computing kpt #: 314 total cpu time spent up to now is 19.0 secs Computing kpt #: 315 total cpu time spent up to now is 19.1 secs Computing kpt #: 316 total cpu time spent up to now is 19.2 secs Computing kpt #: 317 total cpu time spent up to now is 19.2 secs Computing kpt #: 318 total cpu time spent up to now is 19.3 secs Computing kpt #: 319 total cpu time spent up to now is 19.4 secs Computing kpt #: 320 total cpu time spent up to now is 19.4 secs Computing kpt #: 321 total cpu time spent up to now is 19.5 secs Computing kpt #: 322 total cpu time spent up to now is 19.5 secs Computing kpt #: 323 total cpu time spent up to now is 19.6 secs Computing kpt #: 324 total cpu time spent up to now is 19.7 secs Computing kpt #: 325 total cpu time spent up to now is 19.7 secs Computing kpt #: 326 total cpu time spent up to now is 19.8 secs Computing kpt #: 327 total cpu time spent up to now is 19.8 secs Computing kpt #: 328 total cpu time spent up to now is 19.9 secs Computing kpt #: 329 total cpu time spent up to now is 20.0 secs Computing kpt #: 330 total cpu time spent up to now is 20.0 secs Computing kpt #: 331 total cpu time spent up to now is 20.1 secs Computing kpt #: 332 total cpu time spent up to now is 20.1 secs Computing kpt #: 333 total cpu time spent up to now is 20.2 secs Computing kpt #: 334 total cpu time spent up to now is 20.2 secs Computing kpt #: 335 total cpu time spent up to now is 20.3 secs Computing kpt #: 336 total cpu time spent up to now is 20.4 secs Computing kpt #: 337 total cpu time spent up to now is 20.4 secs Computing kpt #: 338 total cpu time spent up to now is 20.5 secs Computing kpt #: 339 total cpu time spent up to now is 20.5 secs Computing kpt #: 340 total cpu time spent up to now is 20.6 secs Computing kpt #: 341 total cpu time spent up to now is 20.7 secs Computing kpt #: 342 total cpu time spent up to now is 20.7 secs Computing kpt #: 343 total cpu time spent up to now is 20.8 secs Computing kpt #: 344 total cpu time spent up to now is 20.9 secs Computing kpt #: 345 total cpu time spent up to now is 20.9 secs Computing kpt #: 346 total cpu time spent up to now is 21.0 secs Computing kpt #: 347 total cpu time spent up to now is 21.1 secs Computing kpt #: 348 total cpu time spent up to now is 21.2 secs Computing kpt #: 349 total cpu time spent up to now is 21.2 secs Computing kpt #: 350 total cpu time spent up to now is 21.3 secs Computing kpt #: 351 total cpu time spent up to now is 21.3 secs Computing kpt #: 352 total cpu time spent up to now is 21.4 secs Computing kpt #: 353 total cpu time spent up to now is 21.5 secs Computing kpt #: 354 total cpu time spent up to now is 21.5 secs Computing kpt #: 355 total cpu time spent up to now is 21.6 secs Computing kpt #: 356 total cpu time spent up to now is 21.6 secs Computing kpt #: 357 total cpu time spent up to now is 21.6 secs Computing kpt #: 358 total cpu time spent up to now is 21.7 secs Computing kpt #: 359 total cpu time spent up to now is 21.7 secs Computing kpt #: 360 total cpu time spent up to now is 21.8 secs Computing kpt #: 361 total cpu time spent up to now is 21.8 secs Computing kpt #: 362 total cpu time spent up to now is 21.9 secs Computing kpt #: 363 total cpu time spent up to now is 21.9 secs Computing kpt #: 364 total cpu time spent up to now is 22.0 secs Computing kpt #: 365 total cpu time spent up to now is 22.0 secs Computing kpt #: 366 total cpu time spent up to now is 22.1 secs Computing kpt #: 367 total cpu time spent up to now is 22.1 secs Computing kpt #: 368 total cpu time spent up to now is 22.2 secs Computing kpt #: 369 total cpu time spent up to now is 22.2 secs Computing kpt #: 370 total cpu time spent up to now is 22.2 secs Computing kpt #: 371 total cpu time spent up to now is 22.3 secs Computing kpt #: 372 total cpu time spent up to now is 22.3 secs Computing kpt #: 373 total cpu time spent up to now is 22.4 secs Computing kpt #: 374 total cpu time spent up to now is 22.4 secs Computing kpt #: 375 total cpu time spent up to now is 22.5 secs Computing kpt #: 376 total cpu time spent up to now is 22.5 secs Computing kpt #: 377 total cpu time spent up to now is 22.6 secs Computing kpt #: 378 total cpu time spent up to now is 22.6 secs Computing kpt #: 379 total cpu time spent up to now is 22.6 secs Computing kpt #: 380 total cpu time spent up to now is 22.7 secs Computing kpt #: 381 total cpu time spent up to now is 22.7 secs Computing kpt #: 382 total cpu time spent up to now is 22.8 secs Computing kpt #: 383 total cpu time spent up to now is 22.8 secs Computing kpt #: 384 total cpu time spent up to now is 22.8 secs Computing kpt #: 385 total cpu time spent up to now is 22.9 secs Computing kpt #: 386 total cpu time spent up to now is 22.9 secs Computing kpt #: 387 total cpu time spent up to now is 23.0 secs Computing kpt #: 388 total cpu time spent up to now is 23.0 secs Computing kpt #: 389 total cpu time spent up to now is 23.0 secs Computing kpt #: 390 total cpu time spent up to now is 23.1 secs Computing kpt #: 391 total cpu time spent up to now is 23.1 secs Computing kpt #: 392 total cpu time spent up to now is 23.2 secs Computing kpt #: 393 total cpu time spent up to now is 23.2 secs Computing kpt #: 394 total cpu time spent up to now is 23.2 secs Computing kpt #: 395 total cpu time spent up to now is 23.3 secs Computing kpt #: 396 total cpu time spent up to now is 23.3 secs Computing kpt #: 397 total cpu time spent up to now is 23.3 secs Computing kpt #: 398 total cpu time spent up to now is 23.4 secs Computing kpt #: 399 total cpu time spent up to now is 23.4 secs Computing kpt #: 400 total cpu time spent up to now is 23.5 secs Computing kpt #: 401 total cpu time spent up to now is 23.5 secs Computing kpt #: 402 total cpu time spent up to now is 23.5 secs Computing kpt #: 403 total cpu time spent up to now is 23.6 secs Computing kpt #: 404 total cpu time spent up to now is 23.6 secs Computing kpt #: 405 total cpu time spent up to now is 23.6 secs Computing kpt #: 406 total cpu time spent up to now is 23.7 secs Computing kpt #: 407 total cpu time spent up to now is 23.7 secs Computing kpt #: 408 total cpu time spent up to now is 23.7 secs Computing kpt #: 409 total cpu time spent up to now is 23.8 secs Computing kpt #: 410 total cpu time spent up to now is 23.8 secs Computing kpt #: 411 total cpu time spent up to now is 23.9 secs Computing kpt #: 412 total cpu time spent up to now is 23.9 secs Computing kpt #: 413 total cpu time spent up to now is 23.9 secs Computing kpt #: 414 total cpu time spent up to now is 24.0 secs Computing kpt #: 415 total cpu time spent up to now is 24.0 secs Computing kpt #: 416 total cpu time spent up to now is 24.0 secs Computing kpt #: 417 total cpu time spent up to now is 24.1 secs Computing kpt #: 418 total cpu time spent up to now is 24.1 secs Computing kpt #: 419 total cpu time spent up to now is 24.1 secs Computing kpt #: 420 total cpu time spent up to now is 24.2 secs Computing kpt #: 421 total cpu time spent up to now is 24.2 secs Computing kpt #: 422 total cpu time spent up to now is 24.2 secs Computing kpt #: 423 total cpu time spent up to now is 24.3 secs Computing kpt #: 424 total cpu time spent up to now is 24.3 secs Computing kpt #: 425 total cpu time spent up to now is 24.3 secs Computing kpt #: 426 total cpu time spent up to now is 24.4 secs Computing kpt #: 427 total cpu time spent up to now is 24.4 secs Computing kpt #: 428 total cpu time spent up to now is 24.4 secs Computing kpt #: 429 total cpu time spent up to now is 24.5 secs Computing kpt #: 430 total cpu time spent up to now is 24.5 secs Computing kpt #: 431 total cpu time spent up to now is 24.6 secs Computing kpt #: 432 total cpu time spent up to now is 24.6 secs Computing kpt #: 433 total cpu time spent up to now is 24.6 secs Computing kpt #: 434 total cpu time spent up to now is 24.7 secs Computing kpt #: 435 total cpu time spent up to now is 24.7 secs Computing kpt #: 436 total cpu time spent up to now is 24.7 secs Computing kpt #: 437 total cpu time spent up to now is 24.8 secs Computing kpt #: 438 total cpu time spent up to now is 24.8 secs Computing kpt #: 439 total cpu time spent up to now is 24.8 secs Computing kpt #: 440 total cpu time spent up to now is 24.9 secs Computing kpt #: 441 total cpu time spent up to now is 24.9 secs Computing kpt #: 442 total cpu time spent up to now is 24.9 secs Computing kpt #: 443 total cpu time spent up to now is 25.0 secs Computing kpt #: 444 total cpu time spent up to now is 25.0 secs Computing kpt #: 445 total cpu time spent up to now is 25.1 secs Computing kpt #: 446 total cpu time spent up to now is 25.1 secs Computing kpt #: 447 total cpu time spent up to now is 25.1 secs Computing kpt #: 448 total cpu time spent up to now is 25.2 secs Computing kpt #: 449 total cpu time spent up to now is 25.2 secs Computing kpt #: 450 total cpu time spent up to now is 25.3 secs Computing kpt #: 451 total cpu time spent up to now is 25.3 secs Computing kpt #: 452 total cpu time spent up to now is 25.3 secs Computing kpt #: 453 total cpu time spent up to now is 25.4 secs Computing kpt #: 454 total cpu time spent up to now is 25.4 secs Computing kpt #: 455 total cpu time spent up to now is 25.5 secs Computing kpt #: 456 total cpu time spent up to now is 25.5 secs Computing kpt #: 457 total cpu time spent up to now is 25.6 secs Computing kpt #: 458 total cpu time spent up to now is 25.6 secs Computing kpt #: 459 total cpu time spent up to now is 25.7 secs Computing kpt #: 460 total cpu time spent up to now is 25.7 secs Computing kpt #: 461 total cpu time spent up to now is 25.7 secs Computing kpt #: 462 total cpu time spent up to now is 25.8 secs Computing kpt #: 463 total cpu time spent up to now is 25.8 secs Computing kpt #: 464 total cpu time spent up to now is 25.9 secs Computing kpt #: 465 total cpu time spent up to now is 25.9 secs Computing kpt #: 466 total cpu time spent up to now is 26.0 secs Computing kpt #: 467 total cpu time spent up to now is 26.0 secs Computing kpt #: 468 total cpu time spent up to now is 26.1 secs Computing kpt #: 469 total cpu time spent up to now is 26.1 secs Computing kpt #: 470 total cpu time spent up to now is 26.2 secs Computing kpt #: 471 total cpu time spent up to now is 26.2 secs Computing kpt #: 472 total cpu time spent up to now is 26.3 secs Computing kpt #: 473 total cpu time spent up to now is 26.3 secs Computing kpt #: 474 total cpu time spent up to now is 26.4 secs Computing kpt #: 475 total cpu time spent up to now is 26.4 secs Computing kpt #: 476 total cpu time spent up to now is 26.5 secs Computing kpt #: 477 total cpu time spent up to now is 26.5 secs Computing kpt #: 478 total cpu time spent up to now is 26.6 secs Computing kpt #: 479 total cpu time spent up to now is 26.7 secs Computing kpt #: 480 total cpu time spent up to now is 26.7 secs Computing kpt #: 481 total cpu time spent up to now is 26.8 secs Computing kpt #: 482 total cpu time spent up to now is 26.8 secs Computing kpt #: 483 total cpu time spent up to now is 26.9 secs Computing kpt #: 484 total cpu time spent up to now is 26.9 secs Computing kpt #: 485 total cpu time spent up to now is 27.0 secs Computing kpt #: 486 total cpu time spent up to now is 27.1 secs Computing kpt #: 487 total cpu time spent up to now is 27.1 secs Computing kpt #: 488 total cpu time spent up to now is 27.2 secs Computing kpt #: 489 total cpu time spent up to now is 27.2 secs Computing kpt #: 490 total cpu time spent up to now is 27.3 secs Computing kpt #: 491 total cpu time spent up to now is 27.4 secs Computing kpt #: 492 total cpu time spent up to now is 27.4 secs Computing kpt #: 493 total cpu time spent up to now is 27.6 secs Computing kpt #: 494 total cpu time spent up to now is 27.7 secs Computing kpt #: 495 total cpu time spent up to now is 27.7 secs Computing kpt #: 496 total cpu time spent up to now is 27.8 secs Computing kpt #: 497 total cpu time spent up to now is 27.9 secs Computing kpt #: 498 total cpu time spent up to now is 28.0 secs Computing kpt #: 499 total cpu time spent up to now is 28.0 secs Computing kpt #: 500 total cpu time spent up to now is 28.1 secs Computing kpt #: 501 total cpu time spent up to now is 28.1 secs Computing kpt #: 502 total cpu time spent up to now is 28.2 secs Computing kpt #: 503 total cpu time spent up to now is 28.2 secs Computing kpt #: 504 total cpu time spent up to now is 28.3 secs Computing kpt #: 505 total cpu time spent up to now is 28.3 secs Computing kpt #: 506 total cpu time spent up to now is 28.4 secs Computing kpt #: 507 total cpu time spent up to now is 28.4 secs Computing kpt #: 508 total cpu time spent up to now is 28.5 secs Computing kpt #: 509 total cpu time spent up to now is 28.5 secs Computing kpt #: 510 total cpu time spent up to now is 28.6 secs Computing kpt #: 511 total cpu time spent up to now is 28.6 secs Computing kpt #: 512 total cpu time spent up to now is 28.7 secs Computing kpt #: 513 total cpu time spent up to now is 28.7 secs Computing kpt #: 514 total cpu time spent up to now is 28.7 secs Computing kpt #: 515 total cpu time spent up to now is 28.8 secs Computing kpt #: 516 total cpu time spent up to now is 28.8 secs Computing kpt #: 517 total cpu time spent up to now is 28.9 secs Computing kpt #: 518 total cpu time spent up to now is 28.9 secs Computing kpt #: 519 total cpu time spent up to now is 29.0 secs Computing kpt #: 520 total cpu time spent up to now is 29.0 secs Computing kpt #: 521 total cpu time spent up to now is 29.1 secs Computing kpt #: 522 total cpu time spent up to now is 29.1 secs Computing kpt #: 523 total cpu time spent up to now is 29.2 secs Computing kpt #: 524 total cpu time spent up to now is 29.2 secs Computing kpt #: 525 total cpu time spent up to now is 29.3 secs Computing kpt #: 526 total cpu time spent up to now is 29.3 secs Computing kpt #: 527 total cpu time spent up to now is 29.3 secs Computing kpt #: 528 total cpu time spent up to now is 29.4 secs Computing kpt #: 529 total cpu time spent up to now is 29.4 secs Computing kpt #: 530 total cpu time spent up to now is 29.5 secs Computing kpt #: 531 total cpu time spent up to now is 29.5 secs Computing kpt #: 532 total cpu time spent up to now is 29.5 secs Computing kpt #: 533 total cpu time spent up to now is 29.6 secs Computing kpt #: 534 total cpu time spent up to now is 29.6 secs Computing kpt #: 535 total cpu time spent up to now is 29.7 secs Computing kpt #: 536 total cpu time spent up to now is 29.7 secs Computing kpt #: 537 total cpu time spent up to now is 29.7 secs Computing kpt #: 538 total cpu time spent up to now is 29.8 secs Computing kpt #: 539 total cpu time spent up to now is 29.8 secs Computing kpt #: 540 total cpu time spent up to now is 29.8 secs Computing kpt #: 541 total cpu time spent up to now is 29.9 secs Computing kpt #: 542 total cpu time spent up to now is 29.9 secs Computing kpt #: 543 total cpu time spent up to now is 30.0 secs Computing kpt #: 544 total cpu time spent up to now is 30.0 secs Computing kpt #: 545 total cpu time spent up to now is 30.0 secs Computing kpt #: 546 total cpu time spent up to now is 30.1 secs Computing kpt #: 547 total cpu time spent up to now is 30.1 secs Computing kpt #: 548 total cpu time spent up to now is 30.1 secs Computing kpt #: 549 total cpu time spent up to now is 30.2 secs Computing kpt #: 550 total cpu time spent up to now is 30.2 secs Computing kpt #: 551 total cpu time spent up to now is 30.2 secs Computing kpt #: 552 total cpu time spent up to now is 30.3 secs Computing kpt #: 553 total cpu time spent up to now is 30.3 secs Computing kpt #: 554 total cpu time spent up to now is 30.3 secs Computing kpt #: 555 total cpu time spent up to now is 30.4 secs Computing kpt #: 556 total cpu time spent up to now is 30.4 secs Computing kpt #: 557 total cpu time spent up to now is 30.5 secs Computing kpt #: 558 total cpu time spent up to now is 30.5 secs Computing kpt #: 559 total cpu time spent up to now is 30.5 secs Computing kpt #: 560 total cpu time spent up to now is 30.6 secs Computing kpt #: 561 total cpu time spent up to now is 30.6 secs Computing kpt #: 562 total cpu time spent up to now is 30.6 secs Computing kpt #: 563 total cpu time spent up to now is 30.7 secs Computing kpt #: 564 total cpu time spent up to now is 30.7 secs Computing kpt #: 565 total cpu time spent up to now is 30.7 secs Computing kpt #: 566 total cpu time spent up to now is 30.8 secs Computing kpt #: 567 total cpu time spent up to now is 30.8 secs Computing kpt #: 568 total cpu time spent up to now is 30.8 secs Computing kpt #: 569 total cpu time spent up to now is 30.9 secs Computing kpt #: 570 total cpu time spent up to now is 30.9 secs Computing kpt #: 571 total cpu time spent up to now is 30.9 secs Computing kpt #: 572 total cpu time spent up to now is 31.0 secs Computing kpt #: 573 total cpu time spent up to now is 31.0 secs ethr = 1.00E-07, avg # of iterations = 12.7 total cpu time spent up to now is 31.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 339 PWs) bands (ev): 3.6127 3.6127 10.3268 10.3268 10.3268 10.3268 10.4738 10.4738 11.3718 11.3718 11.3718 11.3718 35.4137 35.4137 38.3458 38.3458 38.5929 38.5929 k = 0.0057-0.0033 0.0047 ( 339 PWs) bands (ev): 3.6143 3.6143 10.3266 10.3266 10.3273 10.3273 10.4739 10.4739 11.3713 11.3713 11.3720 11.3720 35.4083 35.4083 38.3278 38.3278 38.5688 38.5688 k = 0.0115-0.0066 0.0094 ( 339 PWs) bands (ev): 3.6192 3.6192 10.3259 10.3259 10.3285 10.3285 10.4742 10.4742 11.3697 11.3697 11.3726 11.3726 35.3922 35.3922 38.2734 38.2734 38.4994 38.4994 k = 0.0172-0.0100 0.0141 ( 339 PWs) bands (ev): 3.6273 3.6273 10.3246 10.3246 10.3307 10.3307 10.4748 10.4748 11.3672 11.3672 11.3736 11.3736 35.3657 35.3657 38.1829 38.1829 38.3918 38.3918 k = 0.0230-0.0133 0.0188 ( 339 PWs) bands (ev): 3.6387 3.6387 10.3228 10.3228 10.3336 10.3336 10.4758 10.4758 11.3636 11.3636 11.3750 11.3750 35.3295 35.3295 38.0603 38.0603 38.2547 38.2547 k = 0.0287-0.0166 0.0235 ( 339 PWs) bands (ev): 3.6533 3.6533 10.3202 10.3202 10.3375 10.3375 10.4772 10.4772 11.3590 11.3590 11.3768 11.3768 35.2840 35.2840 37.9120 37.9120 38.0956 38.0956 k = 0.0345-0.0199 0.0282 ( 339 PWs) bands (ev): 3.6711 3.6711 10.3167 10.3167 10.3421 10.3421 10.4793 10.4793 11.3534 11.3534 11.3790 11.3790 35.2300 35.2300 37.7447 37.7447 37.9206 37.9206 k = 0.0402-0.0232 0.0328 ( 339 PWs) bands (ev): 3.6922 3.6922 10.3123 10.3123 10.3477 10.3477 10.4820 10.4820 11.3468 11.3468 11.3815 11.3815 35.1685 35.1685 37.5637 37.5637 37.7342 37.7342 k = 0.0460-0.0265 0.0375 ( 339 PWs) bands (ev): 3.7165 3.7165 10.3069 10.3069 10.3540 10.3540 10.4856 10.4856 11.3392 11.3392 11.3845 11.3845 35.1002 35.1002 37.3728 37.3728 37.5397 37.5397 k = 0.0517-0.0299 0.0422 ( 343 PWs) bands (ev): 3.7440 3.7440 10.3002 10.3002 10.3611 10.3611 10.4901 10.4901 11.3300 11.3300 11.3878 11.3878 35.0260 35.0260 37.1748 37.1748 37.3392 37.3392 k = 0.0575-0.0332 0.0469 ( 343 PWs) bands (ev): 3.7746 3.7746 10.2924 10.2924 10.3691 10.3691 10.4957 10.4957 11.3206 11.3206 11.3916 11.3916 34.9468 34.9468 36.9718 36.9718 37.1344 37.1344 k = 0.0632-0.0365 0.0516 ( 343 PWs) bands (ev): 3.8085 3.8085 10.2833 10.2833 10.3780 10.3780 10.5023 10.5023 11.3102 11.3102 11.3957 11.3957 34.8633 34.8633 36.7651 36.7651 36.9267 36.9267 k = 0.0690-0.0398 0.0563 ( 351 PWs) bands (ev): 3.8455 3.8455 10.2728 10.2728 10.3870 10.3870 10.5094 10.5094 11.2989 11.2989 11.3999 11.3999 34.7762 34.7762 36.5555 36.5555 36.7164 36.7164 k = 0.0747-0.0431 0.0610 ( 351 PWs) bands (ev): 3.8856 3.8856 10.2612 10.2612 10.3974 10.3974 10.5182 10.5182 11.2868 11.2868 11.4048 11.4048 34.6863 34.6863 36.3444 36.3444 36.5051 36.5051 k = 0.0805-0.0465 0.0657 ( 351 PWs) bands (ev): 3.9289 3.9289 10.2484 10.2484 10.4087 10.4087 10.5280 10.5280 11.2739 11.2739 11.4100 11.4100 34.5940 34.5940 36.1322 36.1322 36.2928 36.2928 k = 0.0862-0.0498 0.0704 ( 351 PWs) bands (ev): 3.9753 3.9753 10.2344 10.2344 10.4207 10.4207 10.5389 10.5389 11.2602 11.2602 11.4156 11.4156 34.5001 34.5001 35.9193 35.9193 36.0801 36.0801 k = 0.0920-0.0531 0.0751 ( 351 PWs) bands (ev): 4.0247 4.0247 10.2192 10.2192 10.4336 10.4336 10.5509 10.5509 11.2458 11.2458 11.4215 11.4215 34.4048 34.4048 35.7061 35.7061 35.8672 35.8672 k = 0.0977-0.0564 0.0798 ( 351 PWs) bands (ev): 4.0773 4.0773 10.2030 10.2030 10.4471 10.4471 10.5638 10.5638 11.2307 11.2307 11.4278 11.4278 34.3088 34.3088 35.4929 35.4929 35.6544 35.6544 k = 0.1034-0.0597 0.0845 ( 351 PWs) bands (ev): 4.1328 4.1328 10.1860 10.1860 10.4615 10.4615 10.5778 10.5778 11.2147 11.2147 11.4344 11.4344 34.2124 34.2124 35.2800 35.2800 35.4420 35.4420 k = 0.1092-0.0630 0.0892 ( 351 PWs) bands (ev): 4.1913 4.1913 10.1676 10.1676 10.4765 10.4765 10.5927 10.5927 11.1984 11.1984 11.4414 11.4414 34.1157 34.1157 35.0674 35.0674 35.2301 35.2301 k = 0.1149-0.0664 0.0939 ( 351 PWs) bands (ev): 4.2528 4.2528 10.1484 10.1484 10.4922 10.4922 10.6085 10.6085 11.1815 11.1815 11.4487 11.4487 34.0192 34.0192 34.8555 34.8555 35.0188 35.0188 k = 0.1207-0.0697 0.0985 ( 351 PWs) bands (ev): 4.3172 4.3172 10.1282 10.1282 10.5086 10.5086 10.6252 10.6252 11.1642 11.1642 11.4563 11.4563 33.9230 33.9230 34.6443 34.6443 34.8084 34.8084 k = 0.1264-0.0730 0.1032 ( 351 PWs) bands (ev): 4.3845 4.3845 10.1071 10.1071 10.5256 10.5256 10.6428 10.6428 11.1465 11.1465 11.4643 11.4643 33.8275 33.8275 34.4341 34.4341 34.5989 34.5989 k = 0.1322-0.0763 0.1079 ( 351 PWs) bands (ev): 4.4546 4.4546 10.0852 10.0852 10.5432 10.5432 10.6612 10.6612 11.1286 11.1286 11.4725 11.4725 33.7327 33.7327 34.2249 34.2249 34.3905 34.3905 k = 0.1379-0.0796 0.1126 ( 351 PWs) bands (ev): 4.5275 4.5275 10.0625 10.0625 10.5613 10.5613 10.6805 10.6805 11.1105 11.1105 11.4810 11.4810 33.6389 33.6389 34.0168 34.0168 34.1833 34.1833 k = 0.1437-0.0830 0.1173 ( 351 PWs) bands (ev): 4.6032 4.6032 10.0391 10.0391 10.5799 10.5799 10.7006 10.7006 11.0924 11.0924 11.4899 11.4899 33.5461 33.5461 33.8100 33.8100 33.9773 33.9773 k = 0.1494-0.0863 0.1220 ( 351 PWs) bands (ev): 4.6815 4.6815 10.0150 10.0150 10.5988 10.5988 10.7215 10.7215 11.0743 11.0743 11.4989 11.4989 33.4545 33.4545 33.6045 33.6045 33.7728 33.7728 k = 0.1552-0.0896 0.1267 ( 355 PWs) bands (ev): 4.7624 4.7624 9.9902 9.9902 10.6178 10.6178 10.7430 10.7430 11.0566 11.0566 11.5080 11.5080 33.3639 33.3639 33.4003 33.4003 33.5698 33.5698 k = 0.1609-0.0929 0.1314 ( 355 PWs) bands (ev): 4.8459 4.8459 9.9648 9.9648 10.6371 10.6371 10.7654 10.7654 11.0394 11.0394 11.5176 11.5176 33.1976 33.1976 33.2738 33.2738 33.3694 33.3694 k = 0.1667-0.0962 0.1361 ( 355 PWs) bands (ev): 4.9319 4.9319 9.9389 9.9389 10.6562 10.6562 10.7886 10.7886 11.0231 11.0231 11.5274 11.5274 32.9965 32.9965 33.1584 33.1584 33.1972 33.1972 k = 0.1724-0.0995 0.1408 ( 355 PWs) bands (ev): 5.0202 5.0202 9.9124 9.9124 10.6750 10.6750 10.8125 10.8125 11.0079 11.0079 11.5375 11.5375 32.7970 32.7970 32.9659 32.9659 33.1054 33.1054 k = 0.1782-0.1029 0.1455 ( 355 PWs) bands (ev): 5.1109 5.1109 9.8854 9.8854 10.6930 10.6930 10.8371 10.8371 10.9944 10.9944 11.5478 11.5478 32.5992 32.5992 32.7697 32.7697 33.0205 33.0205 k = 0.1839-0.1062 0.1502 ( 355 PWs) bands (ev): 5.2038 5.2038 9.8580 9.8580 10.7096 10.7096 10.8624 10.8624 10.9832 10.9832 11.5583 11.5583 32.4031 32.4031 32.5747 32.5747 32.9378 32.9378 k = 0.1897-0.1095 0.1549 ( 355 PWs) bands (ev): 5.2988 5.2988 9.8302 9.8302 10.7242 10.7242 10.8883 10.8883 10.9752 10.9752 11.5690 11.5690 32.2089 32.2089 32.3813 32.3813 32.8569 32.8569 k = 0.1954-0.1128 0.1595 ( 355 PWs) bands (ev): 5.3957 5.3957 9.8020 9.8020 10.7360 10.7360 10.9149 10.9149 10.9711 10.9711 11.5798 11.5798 32.0164 32.0164 32.1898 32.1898 32.7778 32.7778 k = 0.2011-0.1161 0.1642 ( 355 PWs) bands (ev): 5.4945 5.4945 9.7736 9.7736 10.7444 10.7444 10.9421 10.9421 10.9717 10.9717 11.5909 11.5909 31.8259 31.8259 32.0001 32.0001 32.7005 32.7005 k = 0.2069-0.1195 0.1689 ( 355 PWs) bands (ev): 5.5951 5.5951 9.7448 9.7448 10.7491 10.7491 10.9698 10.9698 10.9776 10.9776 11.6021 11.6021 31.6374 31.6374 31.8124 31.8124 32.6249 32.6249 k = 0.2126-0.1228 0.1736 ( 355 PWs) bands (ev): 5.6972 5.6972 9.7158 9.7158 10.7503 10.7503 10.9885 10.9885 10.9981 10.9981 11.6134 11.6134 31.4509 31.4509 31.6267 31.6267 32.5511 32.5511 k = 0.2184-0.1261 0.1783 ( 355 PWs) bands (ev): 5.8007 5.8007 9.6866 9.6866 10.7489 10.7489 11.0039 11.0039 11.0269 11.0269 11.6249 11.6249 31.2664 31.2664 31.4431 31.4431 32.4791 32.4791 k = 0.2241-0.1294 0.1830 ( 355 PWs) bands (ev): 5.9054 5.9054 9.6573 9.6573 10.7457 10.7457 11.0230 11.0230 11.0562 11.0562 11.6364 11.6364 31.0841 31.0841 31.2616 31.2616 32.4088 32.4088 k = 0.2299-0.1327 0.1877 ( 351 PWs) bands (ev): 6.0111 6.0111 9.6278 9.6278 10.7421 10.7421 11.0452 11.0452 11.0862 11.0862 11.6481 11.6481 30.9040 30.9040 31.0824 31.0824 32.3404 32.3404 k = 0.2356-0.1360 0.1924 ( 351 PWs) bands (ev): 6.1175 6.1175 9.5983 9.5983 10.7383 10.7383 11.0694 11.0694 11.1164 11.1164 11.6599 11.6599 30.7260 30.7260 30.9054 30.9054 32.1195 32.1195 k = 0.2414-0.1394 0.1971 ( 351 PWs) bands (ev): 6.2245 6.2245 9.5688 9.5688 10.7354 10.7354 11.0954 11.0954 11.1470 11.1470 11.6718 11.6718 30.5503 30.5503 30.7307 30.7307 31.8444 31.8444 k = 0.2471-0.1427 0.2018 ( 351 PWs) bands (ev): 6.3317 6.3317 9.5392 9.5392 10.7339 10.7339 11.1228 11.1228 11.1779 11.1779 11.6837 11.6837 30.3769 30.3769 30.5583 30.5583 31.5630 31.5630 k = 0.2529-0.1460 0.2065 ( 351 PWs) bands (ev): 6.4389 6.4389 9.5098 9.5098 10.7345 10.7345 11.1513 11.1513 11.2092 11.2092 11.6957 11.6957 30.2057 30.2057 30.3884 30.3884 31.2759 31.2759 k = 0.2586-0.1493 0.2112 ( 351 PWs) bands (ev): 6.5456 6.5456 9.4804 9.4804 10.7376 10.7376 11.1806 11.1806 11.2408 11.2408 11.7078 11.7078 30.0368 30.0368 30.2210 30.2210 30.9841 30.9841 k = 0.2644-0.1526 0.2159 ( 351 PWs) bands (ev): 6.6517 6.6517 9.4511 9.4511 10.7437 10.7437 11.2107 11.2107 11.2726 11.2726 11.7198 11.7198 29.8701 29.8701 30.0562 30.0562 30.6883 30.6883 k = 0.2701-0.1560 0.2205 ( 351 PWs) bands (ev): 6.7566 6.7566 9.4220 9.4220 10.7533 10.7533 11.2415 11.2415 11.3046 11.3046 11.7320 11.7320 29.7054 29.7054 29.8940 29.8940 30.3895 30.3895 k = 0.2759-0.1593 0.2252 ( 351 PWs) bands (ev): 6.8599 6.8599 9.3931 9.3931 10.7668 10.7668 11.2727 11.2727 11.3367 11.3367 11.7441 11.7441 29.5422 29.5422 29.7344 29.7344 30.0889 30.0889 k = 0.2816-0.1626 0.2299 ( 359 PWs) bands (ev): 6.9613 6.9613 9.3643 9.3643 10.7846 10.7846 11.3039 11.3039 11.3684 11.3684 11.7562 11.7562 29.3792 29.3792 29.5775 29.5775 29.7883 29.7883 k = 0.2874-0.1659 0.2346 ( 359 PWs) bands (ev): 7.0603 7.0603 9.3359 9.3359 10.8075 10.8075 11.3359 11.3359 11.4007 11.4007 11.7684 11.7684 29.2127 29.2127 29.4236 29.4236 29.4926 29.4926 k = 0.2931-0.1692 0.2393 ( 359 PWs) bands (ev): 7.1565 7.1565 9.3078 9.3078 10.8357 10.8357 11.3683 11.3683 11.4329 11.4329 11.7805 11.7805 29.0275 29.0275 29.2172 29.2172 29.2725 29.2725 k = 0.2989-0.1725 0.2440 ( 359 PWs) bands (ev): 7.2493 7.2493 9.2801 9.2801 10.8697 10.8697 11.4008 11.4008 11.4651 11.4651 11.7928 11.7928 28.7880 28.7880 28.9982 28.9982 29.1243 29.1243 k = 0.3046-0.1759 0.2487 ( 359 PWs) bands (ev): 7.3384 7.3384 9.2527 9.2527 10.9100 10.9100 11.4336 11.4336 11.4971 11.4971 11.8050 11.8050 28.5021 28.5022 28.8283 28.8283 28.9792 28.9792 k = 0.3103-0.1792 0.2534 ( 359 PWs) bands (ev): 7.4234 7.4234 9.2258 9.2258 10.9568 10.9568 11.4666 11.4666 11.5289 11.5289 11.8173 11.8173 28.2015 28.2015 28.6765 28.6765 28.8372 28.8372 k = 0.3161-0.1825 0.2581 ( 355 PWs) bands (ev): 7.5038 7.5038 9.1994 9.1994 11.0106 11.0106 11.5000 11.5000 11.5607 11.5607 11.8297 11.8297 27.8967 27.8967 28.5326 28.5326 28.6983 28.6983 k = 0.3218-0.1858 0.2628 ( 355 PWs) bands (ev): 7.5794 7.5794 9.1734 9.1734 11.0713 11.0713 11.5333 11.5333 11.5917 11.5917 11.8421 11.8421 27.5906 27.5906 28.3938 28.3938 28.5627 28.5627 k = 0.3276-0.1891 0.2675 ( 355 PWs) bands (ev): 7.6499 7.6499 9.1479 9.1479 11.1391 11.1391 11.5669 11.5669 11.6222 11.6222 11.8547 11.8547 27.2847 27.2847 28.2593 28.2593 28.4303 28.4303 k = 0.3333-0.1925 0.2722 ( 355 PWs) bands (ev): 7.7151 7.7151 9.1229 9.1229 11.2140 11.2140 11.6008 11.6008 11.6521 11.6521 11.8675 11.8675 26.9797 26.9797 28.1288 28.1288 28.3013 28.3013 k = 0.3391-0.1958 0.2769 ( 355 PWs) bands (ev): 7.7750 7.7750 9.0985 9.0985 11.2955 11.2955 11.6355 11.6355 11.6812 11.6812 11.8805 11.8805 26.6762 26.6762 28.0020 28.0020 28.1757 28.1757 k = 0.3448-0.1991 0.2816 ( 355 PWs) bands (ev): 7.8295 7.8295 9.0747 9.0747 11.3829 11.3829 11.6715 11.6715 11.7093 11.7093 11.8939 11.8939 26.3745 26.3745 27.8790 27.8790 28.0536 28.0536 k = 0.3506-0.2024 0.2862 ( 355 PWs) bands (ev): 7.8787 7.8787 9.0515 9.0515 11.4743 11.4743 11.7105 11.7105 11.7362 11.7362 11.9078 11.9078 26.0750 26.0750 27.7598 27.7598 27.9352 27.9352 k = 0.3563-0.2057 0.2909 ( 363 PWs) bands (ev): 7.9223 7.9223 9.0290 9.0290 11.5653 11.5653 11.7559 11.7559 11.7616 11.7616 11.9222 11.9222 25.7779 25.7779 27.6443 27.6443 27.8203 27.8203 k = 0.3621-0.2090 0.2956 ( 363 PWs) bands (ev): 7.9616 7.9616 9.0072 9.0072 11.6480 11.6480 11.7857 11.7857 11.8165 11.8165 11.9374 11.9374 25.4838 25.4838 27.5327 27.5327 27.7093 27.7093 k = 0.3678-0.2124 0.3003 ( 363 PWs) bands (ev): 7.9962 7.9962 8.9860 8.9860 11.7124 11.7124 11.8080 11.8080 11.9011 11.9011 11.9535 11.9535 25.1929 25.1929 27.4249 27.4249 27.6020 27.6020 k = 0.3736-0.2157 0.3050 ( 363 PWs) bands (ev): 8.0265 8.0265 8.9656 8.9656 11.7598 11.7598 11.8284 11.8284 11.9705 11.9705 12.0078 12.0078 24.9056 24.9056 27.3211 27.3211 27.4986 27.4986 k = 0.3793-0.2190 0.3097 ( 359 PWs) bands (ev): 8.0534 8.0534 8.9459 8.9459 11.7976 11.7976 11.8470 11.8470 11.9885 11.9885 12.1288 12.1288 24.6222 24.6222 27.2214 27.2214 27.3992 27.3992 k = 0.3851-0.2223 0.3144 ( 359 PWs) bands (ev): 8.0762 8.0762 8.9270 8.9270 11.8304 11.8304 11.8636 11.8636 12.0072 12.0072 12.2584 12.2584 24.3430 24.3430 27.1257 27.1257 27.3038 27.3038 k = 0.3908-0.2256 0.3191 ( 359 PWs) bands (ev): 8.0957 8.0957 8.9089 8.9089 11.8602 11.8602 11.8784 11.8784 12.0265 12.0265 12.3942 12.3942 24.0684 24.0684 27.0341 27.0341 27.2125 27.2125 k = 0.3966-0.2289 0.3238 ( 359 PWs) bands (ev): 8.1123 8.1123 8.8916 8.8916 11.8880 11.8880 11.8917 11.8917 12.0461 12.0461 12.5344 12.5344 23.7989 23.7989 26.9467 26.9467 27.1254 27.1254 k = 0.4023-0.2323 0.3285 ( 359 PWs) bands (ev): 8.1263 8.1263 8.8751 8.8751 11.9036 11.9036 11.9140 11.9140 12.0658 12.0658 12.6778 12.6778 23.5351 23.5351 26.8636 26.8636 27.0425 27.0425 k = 0.4080-0.2356 0.3332 ( 359 PWs) bands (ev): 8.1379 8.1379 8.8594 8.8594 11.9142 11.9142 11.9386 11.9386 12.0853 12.0853 12.8235 12.8235 23.2774 23.2774 26.7848 26.7848 26.9640 26.9640 k = 0.4138-0.2389 0.3379 ( 359 PWs) bands (ev): 8.1476 8.1476 8.8447 8.8447 11.9238 11.9238 11.9618 11.9618 12.1045 12.1045 12.9704 12.9704 23.0264 23.0264 26.7105 26.7105 26.8898 26.8898 k = 0.4195-0.2422 0.3426 ( 359 PWs) bands (ev): 8.1555 8.1555 8.8308 8.8308 11.9324 11.9324 11.9837 11.9837 12.1231 12.1231 13.1176 13.1176 22.7829 22.7829 26.6406 26.6406 26.8201 26.8201 k = 0.4253-0.2455 0.3472 ( 359 PWs) bands (ev): 8.1619 8.1619 8.8178 8.8178 11.9403 11.9403 12.0042 12.0042 12.1409 12.1409 13.2640 13.2640 22.5476 22.5476 26.5752 26.5752 26.7549 26.7549 k = 0.4310-0.2489 0.3519 ( 359 PWs) bands (ev): 8.1671 8.1671 8.8057 8.8057 11.9473 11.9473 12.0233 12.0233 12.1578 12.1578 13.4086 13.4086 22.3214 22.3214 26.5144 26.5144 26.6942 26.6942 k = 0.4368-0.2522 0.3566 ( 359 PWs) bands (ev): 8.1711 8.1711 8.7945 8.7945 11.9537 11.9537 12.0411 12.0411 12.1738 12.1738 13.5502 13.5502 22.1053 22.1053 26.4583 26.4583 26.6382 26.6382 k = 0.4425-0.2555 0.3613 ( 359 PWs) bands (ev): 8.1743 8.1743 8.7843 8.7843 11.9594 11.9594 12.0574 12.0574 12.1886 12.1886 13.6876 13.6876 21.9004 21.9004 26.4069 26.4069 26.5869 26.5869 k = 0.4483-0.2588 0.3660 ( 367 PWs) bands (ev): 8.1766 8.1766 8.7746 8.7746 11.9641 11.9641 12.0720 12.0720 12.2019 12.2019 13.8192 13.8192 21.7080 21.7080 26.3602 26.3602 26.5403 26.5403 k = 0.4540-0.2621 0.3707 ( 367 PWs) bands (ev): 8.1784 8.1784 8.7663 8.7663 11.9686 11.9686 12.0854 12.0854 12.2143 12.2143 13.9437 13.9437 21.5294 21.5294 26.3182 26.3182 26.4984 26.4984 k = 0.4598-0.2654 0.3754 ( 367 PWs) bands (ev): 8.1797 8.1797 8.7589 8.7589 11.9726 11.9726 12.0974 12.0974 12.2254 12.2254 14.0594 14.0594 21.3662 21.3662 26.2811 26.2811 26.4614 26.4614 k = 0.4655-0.2688 0.3801 ( 367 PWs) bands (ev): 8.1806 8.1806 8.7525 8.7525 11.9760 11.9760 12.1077 12.1077 12.2351 12.2351 14.1646 14.1646 21.2199 21.2199 26.2489 26.2489 26.4292 26.4292 k = 0.4713-0.2721 0.3848 ( 367 PWs) bands (ev): 8.1813 8.1813 8.7470 8.7470 11.9788 11.9788 12.1166 12.1166 12.2434 12.2434 14.2577 14.2577 21.0923 21.0923 26.2216 26.2216 26.4020 26.4020 k = 0.4770-0.2754 0.3895 ( 368 PWs) bands (ev): 8.1815 8.1815 8.7426 8.7426 11.9812 11.9812 12.1239 12.1239 12.2502 12.2502 14.3368 14.3368 20.9850 20.9850 26.1992 26.1992 26.3796 26.3796 k = 0.4828-0.2787 0.3942 ( 360 PWs) bands (ev): 8.1817 8.1817 8.7397 8.7397 11.9831 11.9831 12.1300 12.1300 12.2560 12.2560 14.4003 14.4003 20.8995 20.8995 26.1818 26.1818 26.3622 26.3622 k = 0.4885-0.2820 0.3989 ( 360 PWs) bands (ev): 8.1819 8.1819 8.7372 8.7372 11.9844 11.9844 12.1340 12.1340 12.2598 12.2598 14.4469 14.4469 20.8374 20.8374 26.1693 26.1693 26.3498 26.3498 k = 0.4943-0.2854 0.4036 ( 360 PWs) bands (ev): 8.1820 8.1820 8.7357 8.7357 11.9852 11.9852 12.1365 12.1365 12.2621 12.2621 14.4753 14.4753 20.7996 20.7996 26.1618 26.1618 26.3423 26.3423 k = 0.5000-0.2887 0.4082 ( 360 PWs) bands (ev): 8.1820 8.1820 8.7352 8.7352 11.9854 11.9854 12.1373 12.1373 12.2629 12.2629 14.4848 14.4848 20.7869 20.7869 26.1593 26.1593 26.3398 26.3398 k = 0.5000-0.2887 0.4082 ( 360 PWs) bands (ev): 8.1820 8.1820 8.7352 8.7352 11.9854 11.9854 12.1373 12.1373 12.2629 12.2629 14.4848 14.4848 20.7869 20.7869 26.1593 26.1593 26.3398 26.3398 k = 0.5000-0.2821 0.4129 ( 360 PWs) bands (ev): 8.1828 8.1828 8.7357 8.7357 11.9847 11.9847 12.1351 12.1351 12.2608 12.2608 14.4906 14.4906 20.7874 20.7874 26.1507 26.1507 26.3308 26.3308 k = 0.5000-0.2756 0.4175 ( 360 PWs) bands (ev): 8.1853 8.1853 8.7372 8.7372 11.9823 11.9823 12.1281 12.1281 12.2548 12.2548 14.5080 14.5080 20.7887 20.7887 26.1247 26.1247 26.3042 26.3042 k = 0.5000-0.2690 0.4222 ( 362 PWs) bands (ev): 8.1893 8.1893 8.7396 8.7396 11.9780 11.9780 12.1155 12.1155 12.2464 12.2464 14.5365 14.5365 20.7909 20.7909 26.0811 26.0811 26.2619 26.2619 k = 0.5000-0.2624 0.4268 ( 368 PWs) bands (ev): 8.1950 8.1950 8.7424 8.7424 11.9719 11.9719 12.0960 12.0960 12.2373 12.2373 14.5755 14.5755 20.7940 20.7940 26.0196 26.0196 26.2061 26.2061 k = 0.5000-0.2559 0.4314 ( 364 PWs) bands (ev): 8.2025 8.2025 8.7470 8.7470 11.9635 11.9635 12.0704 12.0704 12.2293 12.2293 14.6244 14.6244 20.7980 20.7980 25.9404 25.9404 26.1393 26.1393 k = 0.5000-0.2493 0.4361 ( 368 PWs) bands (ev): 8.2115 8.2115 8.7522 8.7522 11.9510 11.9510 12.0392 12.0392 12.2223 12.2223 14.6821 14.6821 20.8029 20.8029 25.8445 25.8445 26.0634 26.0634 k = 0.5000-0.2427 0.4407 ( 368 PWs) bands (ev): 8.2221 8.2221 8.7586 8.7586 11.9313 11.9313 12.0072 12.0072 12.2172 12.2172 14.7480 14.7480 20.8088 20.8088 25.7335 25.7335 25.9797 25.9797 k = 0.5000-0.2362 0.4454 ( 368 PWs) bands (ev): 8.2343 8.2343 8.7660 8.7660 11.8998 11.8998 11.9801 11.9801 12.2132 12.2132 14.8212 14.8212 20.8155 20.8155 25.6095 25.6095 25.8891 25.8891 k = 0.5000-0.2296 0.4500 ( 368 PWs) bands (ev): 8.2480 8.2480 8.7745 8.7745 11.8555 11.8555 11.9596 11.9596 12.2101 12.2101 14.9010 14.9010 20.8232 20.8232 25.4747 25.4747 25.7922 25.7923 k = 0.5000-0.2231 0.4546 ( 368 PWs) bands (ev): 8.2632 8.2632 8.7839 8.7839 11.8027 11.8027 11.9426 11.9426 12.2077 12.2077 14.9866 14.9866 20.8319 20.8319 25.3309 25.3309 25.6898 25.6898 k = 0.5000-0.2165 0.4593 ( 368 PWs) bands (ev): 8.2799 8.2799 8.7943 8.7943 11.7446 11.7446 11.9267 11.9267 12.2057 12.2057 15.0776 15.0776 20.8415 20.8415 25.1797 25.1797 25.5824 25.5824 k = 0.5000-0.2099 0.4639 ( 368 PWs) bands (ev): 8.2979 8.2979 8.8057 8.8057 11.6830 11.6830 11.9107 11.9107 12.2040 12.2040 15.1732 15.1732 20.8521 20.8521 25.0225 25.0225 25.4708 25.4708 k = 0.5000-0.2034 0.4686 ( 368 PWs) bands (ev): 8.3173 8.3173 8.8182 8.8182 11.6190 11.6190 11.8941 11.8941 12.2026 12.2026 15.2731 15.2731 20.8638 20.8638 24.8604 24.8604 25.3557 25.3557 k = 0.5000-0.1968 0.4732 ( 364 PWs) bands (ev): 8.3381 8.3381 8.8318 8.8318 11.5533 11.5533 11.8770 11.8770 12.2016 12.2016 15.3770 15.3770 20.8765 20.8765 24.6944 24.6944 25.2377 25.2377 k = 0.5000-0.1903 0.4778 ( 364 PWs) bands (ev): 8.3601 8.3601 8.8463 8.8463 11.4863 11.4863 11.8587 11.8587 12.2006 12.2006 15.4844 15.4844 20.8902 20.8902 24.5252 24.5252 25.1175 25.1175 k = 0.5000-0.1837 0.4825 ( 364 PWs) bands (ev): 8.3832 8.3832 8.8618 8.8618 11.4185 11.4185 11.8395 11.8395 12.1996 12.1996 15.5950 15.5950 20.9051 20.9051 24.3536 24.3536 24.9957 24.9957 k = 0.5000-0.1771 0.4871 ( 364 PWs) bands (ev): 8.4074 8.4074 8.8783 8.8783 11.3502 11.3502 11.8194 11.8194 12.1988 12.1988 15.7087 15.7087 20.9210 20.9210 24.1799 24.1799 24.8728 24.8728 k = 0.5000-0.1706 0.4918 ( 366 PWs) bands (ev): 8.4325 8.4325 8.8958 8.8958 11.2816 11.2816 11.7982 11.7982 12.1981 12.1981 15.8251 15.8251 20.9381 20.9381 24.0047 24.0047 24.7494 24.7494 k = 0.5000-0.1640 0.4964 ( 366 PWs) bands (ev): 8.4587 8.4587 8.9143 8.9143 11.2130 11.2130 11.7764 11.7764 12.1975 12.1975 15.9442 15.9442 20.9564 20.9564 23.8284 23.8284 24.6258 24.6258 k = 0.5000-0.1575 0.5010 ( 366 PWs) bands (ev): 8.4857 8.4857 8.9340 8.9340 11.1444 11.1444 11.7537 11.7537 12.1969 12.1969 16.0658 16.0658 20.9758 20.9758 23.6512 23.6512 24.5026 24.5026 k = 0.5000-0.1509 0.5057 ( 366 PWs) bands (ev): 8.5135 8.5135 8.9546 8.9546 11.0761 11.0761 11.7304 11.7304 12.1964 12.1964 16.1896 16.1896 20.9965 20.9965 23.4735 23.4735 24.3801 24.3801 k = 0.5000-0.1443 0.5103 ( 366 PWs) bands (ev): 8.5419 8.5419 8.9763 8.9763 11.0082 11.0082 11.7065 11.7065 12.1959 12.1959 16.3157 16.3157 21.0184 21.0184 23.2955 23.2955 24.2586 24.2586 k = 0.5000-0.1378 0.5149 ( 366 PWs) bands (ev): 8.5708 8.5708 8.9990 8.9990 10.9408 10.9408 11.6820 11.6820 12.1955 12.1955 16.4438 16.4438 21.0416 21.0416 23.1173 23.1173 24.1384 24.1384 k = 0.5000-0.1312 0.5196 ( 366 PWs) bands (ev): 8.6001 8.6001 9.0228 9.0228 10.8740 10.8740 11.6570 11.6570 12.1951 12.1951 16.5740 16.5740 21.0661 21.0661 22.9392 22.9392 24.0199 24.0199 k = 0.5000-0.1247 0.5242 ( 366 PWs) bands (ev): 8.6297 8.6297 9.0477 9.0477 10.8079 10.8079 11.6317 11.6317 12.1948 12.1948 16.7061 16.7061 21.0918 21.0918 22.7613 22.7613 23.9033 23.9033 k = 0.5000-0.1181 0.5289 ( 370 PWs) bands (ev): 8.6592 8.6592 9.0730 9.0730 10.7424 10.7424 11.6061 11.6061 12.1945 12.1945 16.8400 16.8400 21.1189 21.1189 22.5837 22.5837 23.7888 23.7888 k = 0.5000-0.1115 0.5335 ( 370 PWs) bands (ev): 8.6888 8.6888 9.1000 9.1000 10.6778 10.6778 11.5805 11.5805 12.1942 12.1942 16.9757 16.9757 21.1473 21.1473 22.4065 22.4065 23.6766 23.6766 k = 0.5000-0.1050 0.5381 ( 374 PWs) bands (ev): 8.7183 8.7183 9.1281 9.1281 10.6138 10.6138 11.5545 11.5545 12.1940 12.1940 17.1131 17.1131 21.1770 21.1770 22.2299 22.2299 23.5669 23.5669 k = 0.5000-0.0984 0.5428 ( 374 PWs) bands (ev): 8.7474 8.7474 9.1572 9.1572 10.5509 10.5509 11.5291 11.5291 12.1938 12.1938 17.2522 17.2522 21.2080 21.2080 22.0540 22.0540 23.4599 23.4599 k = 0.5000-0.0919 0.5474 ( 374 PWs) bands (ev): 8.7760 8.7760 9.1875 9.1875 10.4889 10.4889 11.5042 11.5042 12.1936 12.1936 17.3930 17.3930 21.2402 21.2402 21.8788 21.8788 23.3559 23.3559 k = 0.5000-0.0853 0.5521 ( 374 PWs) bands (ev): 8.8038 8.8038 9.2188 9.2188 10.4279 10.4279 11.4797 11.4797 12.1934 12.1934 17.5353 17.5353 21.2733 21.2733 21.7047 21.7047 23.2549 23.2549 k = 0.5000-0.0787 0.5567 ( 374 PWs) bands (ev): 8.8308 8.8308 9.2513 9.2513 10.3679 10.3679 11.4560 11.4560 12.1932 12.1932 17.6791 17.6791 21.3065 21.3065 21.5326 21.5326 23.1572 23.1572 k = 0.5000-0.0722 0.5613 ( 374 PWs) bands (ev): 8.8566 8.8566 9.2848 9.2848 10.3089 10.3089 11.4332 11.4332 12.1931 12.1931 17.8245 17.8245 21.3219 21.3219 21.3801 21.3801 23.0631 23.0631 k = 0.5000-0.0656 0.5660 ( 372 PWs) bands (ev): 8.8812 8.8812 9.3195 9.3195 10.2511 10.2511 11.4117 11.4117 12.1930 12.1930 17.9713 17.9713 21.1796 21.1796 21.3872 21.3872 22.9728 22.9728 k = 0.5000-0.0590 0.5706 ( 372 PWs) bands (ev): 8.9042 8.9042 9.3552 9.3552 10.1942 10.1942 11.3912 11.3912 12.1929 12.1929 18.1196 18.1196 21.0104 21.0104 21.4229 21.4229 22.8865 22.8865 k = 0.5000-0.0525 0.5753 ( 372 PWs) bands (ev): 8.9254 8.9254 9.3920 9.3920 10.1384 10.1384 11.3723 11.3723 12.1928 12.1928 18.2692 18.2692 20.8409 20.8409 21.4603 21.4603 22.8048 22.8048 k = 0.5000-0.0459 0.5799 ( 372 PWs) bands (ev): 8.9448 8.9448 9.4299 9.4299 10.0837 10.0837 11.3550 11.3550 12.1927 12.1927 18.4203 18.4203 20.6721 20.6721 21.4980 21.4980 22.7281 22.7281 k = 0.5000-0.0394 0.5845 ( 372 PWs) bands (ev): 8.9620 8.9620 9.4689 9.4689 10.0301 10.0301 11.3396 11.3396 12.1926 12.1926 18.5726 18.5726 20.5042 20.5042 21.5352 21.5352 22.6571 22.6571 k = 0.5000-0.0328 0.5892 ( 372 PWs) bands (ev): 8.9769 8.9769 9.5089 9.5089 9.9778 9.9778 11.3262 11.3262 12.1926 12.1926 18.7262 18.7262 20.3373 20.3373 21.5708 21.5708 22.5927 22.5927 k = 0.5000-0.0262 0.5938 ( 376 PWs) bands (ev): 8.9891 8.9891 9.5493 9.5493 9.9267 9.9267 11.3149 11.3149 12.1925 12.1925 18.8810 18.8810 20.1717 20.1717 21.6038 21.6038 22.5362 22.5362 k = 0.5000-0.0197 0.5985 ( 380 PWs) bands (ev): 8.9988 8.9988 9.5905 9.5905 9.8770 9.8770 11.3061 11.3061 12.1924 12.1924 19.0368 19.0368 20.0075 20.0075 21.6326 21.6326 22.4891 22.4891 k = 0.5000-0.0131 0.6031 ( 380 PWs) bands (ev): 9.0059 9.0059 9.6325 9.6325 9.8294 9.8294 11.2997 11.2997 12.1924 12.1924 19.1932 19.1932 19.8450 19.8450 21.6553 21.6553 22.4534 22.4534 k = 0.5000-0.0066 0.6077 ( 380 PWs) bands (ev): 9.0102 9.0102 9.6728 9.6728 9.7857 9.7857 11.2958 11.2958 12.1924 12.1924 19.3482 19.3482 19.6864 19.6864 21.6699 21.6699 22.4308 22.4308 k = 0.5000 0.0000 0.6124 ( 380 PWs) bands (ev): 9.0116 9.0116 9.6968 9.6968 9.7606 9.7606 11.2945 11.2945 12.1924 12.1924 19.4647 19.4647 19.5688 19.5688 21.6750 21.6750 22.4231 22.4231 k = 0.5000 0.0000 0.6124 ( 380 PWs) bands (ev): 9.0116 9.0116 9.6968 9.6968 9.7606 9.7606 11.2945 11.2945 12.1924 12.1924 19.4647 19.4647 19.5688 19.5688 21.6750 21.6750 22.4231 22.4231 k = 0.4960 0.0070 0.6124 ( 380 PWs) bands (ev): 9.0112 9.0112 9.6827 9.6827 9.7749 9.7749 11.2951 11.2951 12.1919 12.1919 19.3921 19.3921 19.6305 19.6305 21.6804 21.6804 22.4336 22.4336 k = 0.4919 0.0140 0.6124 ( 380 PWs) bands (ev): 9.0101 9.0101 9.6552 9.6552 9.8032 9.8032 11.2971 11.2971 12.1906 12.1906 19.2877 19.2877 19.7020 19.7020 21.6933 21.6933 22.4689 22.4689 k = 0.4879 0.0210 0.6124 ( 376 PWs) bands (ev): 9.0084 9.0084 9.6248 9.6248 9.8355 9.8355 11.3002 11.3002 12.1886 12.1886 19.1828 19.1828 19.7522 19.7522 21.7074 21.7074 22.5347 22.5347 k = 0.4839 0.0279 0.6124 ( 375 PWs) bands (ev): 9.0059 9.0059 9.5931 9.5931 9.8692 9.8692 11.3046 11.3046 12.1856 12.1856 19.0800 19.0800 19.7810 19.7810 21.7175 21.7175 22.6339 22.6339 k = 0.4798 0.0349 0.6124 ( 375 PWs) bands (ev): 9.0027 9.0027 9.5611 9.5611 9.9039 9.9039 11.3099 11.3099 12.1817 12.1817 18.9799 18.9799 19.7911 19.7911 21.7208 21.7208 22.7658 22.7658 k = 0.4758 0.0419 0.6124 ( 375 PWs) bands (ev): 8.9988 8.9988 9.5294 9.5294 9.9391 9.9391 11.3162 11.3162 12.1770 12.1770 18.8827 18.8827 19.7859 19.7859 21.7173 21.7173 22.9267 22.9267 k = 0.4718 0.0489 0.6124 ( 375 PWs) bands (ev): 8.9943 8.9943 9.4980 9.4980 9.9747 9.9747 11.3234 11.3234 12.1715 12.1715 18.7886 18.7886 19.7688 19.7688 21.7083 21.7083 23.1117 23.1117 k = 0.4677 0.0559 0.6124 ( 375 PWs) bands (ev): 8.9893 8.9893 9.4672 9.4672 10.0107 10.0107 11.3313 11.3313 12.1652 12.1652 18.6977 18.6977 19.7429 19.7429 21.6955 21.6955 23.3159 23.3159 k = 0.4637 0.0629 0.6124 ( 375 PWs) bands (ev): 8.9838 8.9838 9.4371 9.4371 10.0467 10.0467 11.3400 11.3400 12.1581 12.1581 18.6101 18.6101 19.7105 19.7105 21.6801 21.6801 23.5354 23.5354 k = 0.4597 0.0698 0.6124 ( 375 PWs) bands (ev): 8.9778 8.9778 9.4078 9.4078 10.0829 10.0829 11.3491 11.3491 12.1502 12.1502 18.5258 18.5258 19.6736 19.6736 21.6632 21.6632 23.7670 23.7670 k = 0.4556 0.0768 0.6124 ( 375 PWs) bands (ev): 8.9714 8.9714 9.3796 9.3796 10.1189 10.1189 11.3588 11.3588 12.1416 12.1416 18.4450 18.4450 19.6338 19.6338 21.6457 21.6457 24.0082 24.0082 k = 0.4516 0.0838 0.6124 ( 378 PWs) bands (ev): 8.9644 8.9644 9.3523 9.3523 10.1548 10.1548 11.3686 11.3686 12.1323 12.1323 18.3676 18.3676 19.5923 19.5923 21.6279 21.6279 24.2571 24.2571 k = 0.4476 0.0908 0.6124 ( 378 PWs) bands (ev): 8.9572 8.9572 9.3264 9.3264 10.1905 10.1905 11.3788 11.3788 12.1224 12.1224 18.2938 18.2938 19.5499 19.5499 21.6104 21.6104 24.5121 24.5121 k = 0.4435 0.0978 0.6124 ( 378 PWs) bands (ev): 8.9497 8.9497 9.3018 9.3018 10.2256 10.2256 11.3891 11.3891 12.1120 12.1120 18.2235 18.2235 19.5074 19.5074 21.5934 21.5934 24.7719 24.7719 k = 0.4395 0.1048 0.6124 ( 378 PWs) bands (ev): 8.9419 8.9419 9.2786 9.2786 10.2603 10.2603 11.3994 11.3994 12.1012 12.1012 18.1570 18.1570 19.4655 19.4655 21.5769 21.5769 25.0354 25.0354 k = 0.4355 0.1117 0.6124 ( 378 PWs) bands (ev): 8.9340 8.9340 9.2572 9.2572 10.2941 10.2941 11.4095 11.4095 12.0900 12.0900 18.0941 18.0941 19.4246 19.4246 21.5613 21.5613 25.3017 25.3017 k = 0.4315 0.1187 0.6124 ( 378 PWs) bands (ev): 8.9259 8.9259 9.2370 9.2370 10.3271 10.3271 11.4196 11.4196 12.0784 12.0784 18.0351 18.0351 19.3850 19.3850 21.5465 21.5465 25.5697 25.5697 k = 0.4274 0.1257 0.6124 ( 378 PWs) bands (ev): 8.9176 8.9176 9.2183 9.2183 10.3592 10.3592 11.4293 11.4293 12.0668 12.0668 17.9798 17.9798 19.3472 19.3472 21.5327 21.5327 25.8385 25.8385 k = 0.4234 0.1327 0.6124 ( 378 PWs) bands (ev): 8.9094 8.9094 9.2012 9.2012 10.3901 10.3901 11.4388 11.4388 12.0551 12.0551 17.9285 17.9285 19.3114 19.3114 21.5198 21.5198 26.1069 26.1069 k = 0.4194 0.1397 0.6124 ( 372 PWs) bands (ev): 8.9014 8.9014 9.1859 9.1859 10.4196 10.4196 11.4481 11.4481 12.0438 12.0438 17.8811 17.8811 19.2777 19.2777 21.5080 21.5080 26.3740 26.3740 k = 0.4153 0.1467 0.6124 ( 372 PWs) bands (ev): 8.8935 8.8935 9.1720 9.1720 10.4475 10.4475 11.4566 11.4566 12.0324 12.0324 17.8376 17.8376 19.2464 19.2464 21.4971 21.4971 26.6380 26.6380 k = 0.4113 0.1536 0.6124 ( 372 PWs) bands (ev): 8.8859 8.8859 9.1595 9.1595 10.4736 10.4736 11.4644 11.4644 12.0214 12.0214 17.7982 17.7982 19.2177 19.2177 21.4873 21.4873 26.8975 26.8975 k = 0.4073 0.1606 0.6124 ( 372 PWs) bands (ev): 8.8788 8.8788 9.1486 9.1486 10.4977 10.4977 11.4715 11.4715 12.0110 12.0110 17.7628 17.7628 19.1917 19.1917 21.4785 21.4785 27.1502 27.1502 k = 0.4032 0.1676 0.6124 ( 372 PWs) bands (ev): 8.8722 8.8722 9.1391 9.1391 10.5197 10.5197 11.4780 11.4780 12.0012 12.0012 17.7314 17.7314 19.1685 19.1685 21.4708 21.4708 27.3934 27.3934 k = 0.3992 0.1746 0.6124 ( 372 PWs) bands (ev): 8.8662 8.8662 9.1310 9.1310 10.5392 10.5392 11.4836 11.4836 11.9924 11.9924 17.7042 17.7042 19.1482 19.1482 21.4641 21.4641 27.6235 27.6235 k = 0.3952 0.1816 0.6124 ( 372 PWs) bands (ev): 8.8609 8.8609 9.1243 9.1243 10.5561 10.5561 11.4884 11.4884 11.9846 11.9846 17.6812 17.6812 19.1309 19.1309 21.4584 21.4584 27.8360 27.8360 k = 0.3911 0.1886 0.6124 ( 372 PWs) bands (ev): 8.8565 8.8565 9.1187 9.1187 10.5703 10.5703 11.4926 11.4926 11.9777 11.9777 17.6623 17.6623 19.1166 19.1166 21.4538 21.4538 28.0254 28.0254 k = 0.3871 0.1956 0.6124 ( 372 PWs) bands (ev): 8.8530 8.8530 9.1145 9.1145 10.5815 10.5815 11.4958 11.4958 11.9724 11.9724 17.6475 17.6475 19.1055 19.1055 21.4502 21.4502 28.1847 28.1847 k = 0.3831 0.2025 0.6124 ( 371 PWs) bands (ev): 8.8506 8.8506 9.1116 9.1116 10.5896 10.5896 11.4980 11.4980 11.9686 11.9686 17.6370 17.6370 19.0975 19.0975 21.4476 21.4476 28.3064 28.3064 k = 0.3790 0.2095 0.6124 ( 371 PWs) bands (ev): 8.8491 8.8491 9.1099 9.1099 10.5945 10.5945 11.4993 11.4993 11.9662 11.9662 17.6307 17.6307 19.0927 19.0927 21.4461 21.4461 28.3832 28.3832 k = 0.3750 0.2165 0.6124 ( 371 PWs) bands (ev): 8.8485 8.8485 9.1093 9.1093 10.5962 10.5962 11.4998 11.4998 11.9654 11.9654 17.6286 17.6286 19.0911 19.0911 21.4456 21.4456 28.4095 28.4095 k = 0.3750 0.2165 0.6124 ( 371 PWs) bands (ev): 8.8485 8.8485 9.1093 9.1093 10.5962 10.5962 11.4998 11.4998 11.9654 11.9654 17.6286 17.6286 19.0911 19.0911 21.4456 21.4456 28.4095 28.4095 k = 0.3710 0.2142 0.6058 ( 371 PWs) bands (ev): 8.8835 8.8835 9.1257 9.1257 10.5470 10.5470 11.4753 11.4753 11.9505 11.9505 17.7794 17.7794 18.8459 18.8459 21.4870 21.4870 28.5422 28.5422 k = 0.3669 0.2119 0.5992 ( 371 PWs) bands (ev): 8.9185 8.9185 9.1415 9.1415 10.4993 10.4993 11.4509 11.4509 11.9352 11.9352 17.9319 17.9319 18.6027 18.6027 21.5318 21.5318 28.6782 28.6782 k = 0.3629 0.2095 0.5926 ( 371 PWs) bands (ev): 8.9533 8.9533 9.1568 9.1568 10.4529 10.4529 11.4266 11.4266 11.9195 11.9195 18.0854 18.0854 18.3626 18.3626 21.5800 21.5800 28.8174 28.8174 k = 0.3589 0.2072 0.5860 ( 375 PWs) bands (ev): 8.9875 8.9875 9.1715 9.1715 10.4079 10.4079 11.4021 11.4021 11.9034 11.9034 18.1181 18.1181 18.2476 18.2476 21.6313 21.6313 28.9596 28.9596 k = 0.3548 0.2049 0.5794 ( 375 PWs) bands (ev): 9.0210 9.0210 9.1859 9.1859 10.3645 10.3645 11.3782 11.3782 11.8870 11.8870 17.8856 17.8856 18.4026 18.4026 21.6857 21.6857 29.1051 29.1051 k = 0.3508 0.2025 0.5729 ( 375 PWs) bands (ev): 9.0530 9.0530 9.2003 9.2003 10.3225 10.3225 11.3547 11.3547 11.8702 11.8702 17.6535 17.6535 18.5619 18.5619 21.7433 21.7433 29.2536 29.2536 k = 0.3468 0.2002 0.5663 ( 375 PWs) bands (ev): 9.0826 9.0826 9.2154 9.2154 10.2819 10.2819 11.3314 11.3314 11.8530 11.8530 17.4245 17.4245 18.7232 18.7232 21.8040 21.8040 29.4051 29.4051 k = 0.3427 0.1979 0.5597 ( 375 PWs) bands (ev): 9.1086 9.1086 9.2324 9.2324 10.2429 10.2429 11.3086 11.3086 11.8355 11.8355 17.1989 17.1989 18.8863 18.8863 21.8679 21.8679 29.5595 29.5595 k = 0.3387 0.1956 0.5531 ( 375 PWs) bands (ev): 9.1292 9.1292 9.2525 9.2525 10.2053 10.2053 11.2861 11.2861 11.8176 11.8176 16.9770 16.9770 19.0510 19.0510 21.9349 21.9349 29.7168 29.7168 k = 0.3347 0.1932 0.5465 ( 375 PWs) bands (ev): 9.1435 9.1435 9.2766 9.2766 10.1693 10.1693 11.2641 11.2641 11.7994 11.7994 16.7589 16.7589 19.2175 19.2175 22.0053 22.0053 29.8770 29.8770 k = 0.3306 0.1909 0.5399 ( 375 PWs) bands (ev): 9.1515 9.1515 9.3044 9.3044 10.1348 10.1348 11.2426 11.2426 11.7809 11.7809 16.5449 16.5449 19.3855 19.3855 22.0790 22.0790 30.0399 30.0399 k = 0.3266 0.1886 0.5334 ( 375 PWs) bands (ev): 9.1537 9.1537 9.3351 9.3351 10.1017 10.1017 11.2216 11.2216 11.7621 11.7621 16.3351 16.3351 19.5552 19.5552 22.1561 22.1561 30.2056 30.2056 k = 0.3226 0.1862 0.5268 ( 375 PWs) bands (ev): 9.1509 9.1509 9.3678 9.3678 10.0702 10.0702 11.2012 11.2012 11.7429 11.7429 16.1297 16.1297 19.7266 19.7266 22.2366 22.2366 30.3739 30.3739 k = 0.3185 0.1839 0.5202 ( 375 PWs) bands (ev): 9.1436 9.1436 9.4016 9.4016 10.0402 10.0402 11.1814 11.1814 11.7234 11.7234 15.9288 15.9288 19.8995 19.8995 22.3206 22.3206 30.5449 30.5449 k = 0.3145 0.1816 0.5136 ( 367 PWs) bands (ev): 9.1321 9.1321 9.4363 9.4363 10.0125 10.0125 11.1626 11.1626 11.7039 11.7039 15.7326 15.7326 20.0741 20.0741 22.4081 22.4081 30.7187 30.7187 k = 0.3105 0.1793 0.5070 ( 367 PWs) bands (ev): 9.1163 9.1163 9.4713 9.4713 9.9856 9.9856 11.1440 11.1440 11.6839 11.6839 15.5412 15.5412 20.2502 20.2502 22.4993 22.4993 30.8949 30.8949 k = 0.3065 0.1769 0.5004 ( 367 PWs) bands (ev): 9.0963 9.0963 9.5065 9.5065 9.9602 9.9602 11.1261 11.1261 11.6636 11.6636 15.3548 15.3548 20.4279 20.4279 22.5942 22.5942 31.0736 31.0736 k = 0.3024 0.1746 0.4938 ( 373 PWs) bands (ev): 9.0719 9.0719 9.5412 9.5412 9.9361 9.9361 11.1085 11.1085 11.6429 11.6429 15.1736 15.1736 20.6073 20.6073 22.6927 22.6927 31.2546 31.2546 k = 0.2984 0.1723 0.4873 ( 373 PWs) bands (ev): 9.0432 9.0432 9.5762 9.5762 9.9138 9.9138 11.0921 11.0921 11.6222 11.6222 14.9976 14.9976 20.7881 20.7881 22.7951 22.7951 31.4382 31.4382 k = 0.2944 0.1699 0.4807 ( 373 PWs) bands (ev): 9.0101 9.0101 9.6109 9.6109 9.8933 9.8933 11.0763 11.0763 11.6012 11.6012 14.8270 14.8270 20.9706 20.9706 22.9012 22.9012 31.6243 31.6243 k = 0.2903 0.1676 0.4741 ( 369 PWs) bands (ev): 8.9724 8.9724 9.6454 9.6454 9.8750 9.8750 11.0614 11.0614 11.5800 11.5800 14.6620 14.6620 21.1546 21.1546 23.0112 23.0112 31.8127 31.8127 k = 0.2863 0.1653 0.4675 ( 369 PWs) bands (ev): 8.9300 8.9300 9.6786 9.6786 9.8583 9.8583 11.0472 11.0472 11.5586 11.5586 14.5025 14.5025 21.3402 21.3402 23.1251 23.1251 32.0035 32.0035 k = 0.2823 0.1630 0.4609 ( 369 PWs) bands (ev): 8.8830 8.8830 9.7103 9.7103 9.8444 9.8444 11.0339 11.0339 11.5369 11.5369 14.3486 14.3486 21.5273 21.5273 23.2429 23.2429 32.1966 32.1966 k = 0.2782 0.1606 0.4543 ( 371 PWs) bands (ev): 8.8310 8.8310 9.7387 9.7387 9.8349 9.8349 11.0212 11.0212 11.5151 11.5151 14.2004 14.2004 21.7160 21.7160 23.3646 23.3646 32.3919 32.3919 k = 0.2742 0.1583 0.4478 ( 371 PWs) bands (ev): 8.7744 8.7744 9.7593 9.7593 9.8343 9.8343 11.0094 11.0094 11.4932 11.4932 14.0579 14.0579 21.9063 21.9063 23.4903 23.4903 32.5895 32.5895 k = 0.2702 0.1560 0.4412 ( 371 PWs) bands (ev): 8.7131 8.7131 9.7667 9.7667 9.8478 9.8478 10.9985 10.9985 11.4711 11.4711 13.9212 13.9212 22.0981 22.0981 23.6199 23.6199 32.7893 32.7893 k = 0.2661 0.1536 0.4346 ( 371 PWs) bands (ev): 8.6471 8.6471 9.7644 9.7644 9.8721 9.8721 10.9885 10.9885 11.4488 11.4488 13.7901 13.7901 22.2914 22.2914 23.7536 23.7536 32.9913 32.9913 k = 0.2621 0.1513 0.4280 ( 371 PWs) bands (ev): 8.5764 8.5764 9.7585 9.7585 9.9008 9.9008 10.9793 10.9793 11.4265 11.4265 13.6646 13.6646 22.4863 22.4863 23.8912 23.8912 33.1954 33.1954 k = 0.2581 0.1490 0.4214 ( 371 PWs) bands (ev): 8.5012 8.5012 9.7521 9.7521 9.9309 9.9309 10.9709 10.9709 11.4040 11.4040 13.5447 13.5447 22.6827 22.6827 24.0328 24.0328 33.4017 33.4017 k = 0.2540 0.1467 0.4148 ( 373 PWs) bands (ev): 8.4217 8.4217 9.7457 9.7457 9.9614 9.9614 10.9634 10.9634 11.3815 11.3815 13.4300 13.4300 22.8806 22.8806 24.1784 24.1784 33.6100 33.6100 k = 0.2500 0.1443 0.4082 ( 373 PWs) bands (ev): 8.3381 8.3381 9.7405 9.7405 9.9919 9.9919 10.9568 10.9568 11.3589 11.3589 13.3207 13.3207 23.0800 23.0800 24.3279 24.3279 33.8204 33.8205 k = 0.2460 0.1420 0.4017 ( 373 PWs) bands (ev): 8.2505 8.2505 9.7362 9.7362 10.0221 10.0221 10.9510 10.9510 11.3363 11.3363 13.2164 13.2164 23.2810 23.2810 24.4815 24.4815 34.0329 34.0329 k = 0.2419 0.1397 0.3951 ( 367 PWs) bands (ev): 8.1595 8.1595 9.7333 9.7333 10.0520 10.0520 10.9464 10.9464 11.3136 11.3136 13.1173 13.1173 23.4835 23.4835 24.6389 24.6389 34.2475 34.2475 k = 0.2379 0.1374 0.3885 ( 367 PWs) bands (ev): 8.0648 8.0648 9.7312 9.7312 10.0813 10.0813 10.9422 10.9422 11.2910 11.2910 13.0225 13.0225 23.6876 23.6876 24.8003 24.8003 34.4638 34.4638 k = 0.2339 0.1350 0.3819 ( 367 PWs) bands (ev): 7.9669 7.9669 9.7303 9.7303 10.1100 10.1100 10.9390 10.9390 11.2683 11.2683 12.9322 12.9322 23.8931 23.8931 24.9656 24.9656 34.6821 34.6821 k = 0.2298 0.1327 0.3753 ( 367 PWs) bands (ev): 7.8661 7.8661 9.7304 9.7304 10.1381 10.1381 10.9365 10.9365 11.2458 11.2458 12.8462 12.8462 24.1002 24.1002 25.1348 25.1348 34.9021 34.9021 k = 0.2258 0.1304 0.3687 ( 367 PWs) bands (ev): 7.7628 7.7628 9.7317 9.7317 10.1656 10.1656 10.9348 10.9348 11.2232 11.2232 12.7641 12.7641 24.3088 24.3088 25.3078 25.3078 35.1238 35.1238 k = 0.2218 0.1280 0.3622 ( 367 PWs) bands (ev): 7.6573 7.6573 9.7340 9.7340 10.1923 10.1923 10.9339 10.9339 11.2008 11.2008 12.6858 12.6858 24.5189 24.5189 25.4846 25.4846 35.3470 35.3470 k = 0.2177 0.1257 0.3556 ( 367 PWs) bands (ev): 7.5497 7.5497 9.7374 9.7374 10.2183 10.2183 10.9337 10.9337 11.1786 11.1786 12.6111 12.6111 24.7305 24.7305 25.6652 25.6652 35.5712 35.5712 k = 0.2137 0.1234 0.3490 ( 365 PWs) bands (ev): 7.4405 7.4405 9.7418 9.7418 10.2438 10.2438 10.9342 10.9342 11.1565 11.1565 12.5398 12.5398 24.9436 24.9436 25.8496 25.8496 35.7951 35.7951 k = 0.2097 0.1211 0.3424 ( 365 PWs) bands (ev): 7.3299 7.3299 9.7471 9.7471 10.2682 10.2682 10.9353 10.9353 11.1347 11.1347 12.4716 12.4716 25.1582 25.1582 26.0376 26.0376 36.0137 36.0137 k = 0.2056 0.1187 0.3358 ( 361 PWs) bands (ev): 7.2182 7.2182 9.7539 9.7539 10.2917 10.2917 10.9372 10.9372 11.1134 11.1134 12.4063 12.4063 25.3744 25.3744 26.2293 26.2293 36.2087 36.2087 k = 0.2016 0.1164 0.3292 ( 361 PWs) bands (ev): 7.1057 7.1057 9.7612 9.7612 10.3144 10.3144 10.9393 10.9393 11.0925 11.0925 12.3439 12.3439 25.5920 25.5920 26.4245 26.4245 36.3724 36.3724 k = 0.1976 0.1141 0.3226 ( 365 PWs) bands (ev): 6.9926 6.9926 9.7690 9.7690 10.3360 10.3360 10.9415 10.9415 11.0722 11.0722 12.2838 12.2838 25.8109 25.8109 26.6234 26.6234 36.5271 36.5271 k = 0.1935 0.1117 0.3161 ( 365 PWs) bands (ev): 6.8793 6.8793 9.7780 9.7780 10.3568 10.3568 10.9436 10.9436 11.0530 11.0530 12.2264 12.2264 26.0315 26.0315 26.8257 26.8257 36.6811 36.6811 k = 0.1895 0.1094 0.3095 ( 365 PWs) bands (ev): 6.7658 6.7658 9.7878 9.7878 10.3765 10.3765 10.9449 10.9449 11.0355 11.0355 12.1715 12.1715 26.2535 26.2535 27.0316 27.0316 36.8365 36.8365 k = 0.1855 0.1071 0.3029 ( 365 PWs) bands (ev): 6.6525 6.6525 9.7984 9.7984 10.3952 10.3952 10.9441 10.9441 11.0210 11.0210 12.1187 12.1187 26.4769 26.4769 27.2408 27.2408 36.9936 36.9936 k = 0.1815 0.1048 0.2963 ( 365 PWs) bands (ev): 6.5396 6.5396 9.8097 9.8097 10.4128 10.4128 10.9395 10.9395 11.0112 11.0112 12.0682 12.0682 26.7018 26.7018 27.4535 27.4535 37.1526 37.1526 k = 0.1774 0.1024 0.2897 ( 365 PWs) bands (ev): 6.4272 6.4272 9.8218 9.8218 10.4293 10.4293 10.9300 10.9300 11.0072 11.0072 12.0197 12.0197 26.9281 26.9281 27.6694 27.6694 37.3135 37.3135 k = 0.1734 0.1001 0.2831 ( 365 PWs) bands (ev): 6.3156 6.3156 9.8344 9.8344 10.4446 10.4446 10.9165 10.9165 11.0081 11.0081 11.9732 11.9732 27.1559 27.1559 27.8887 27.8887 37.4762 37.4762 k = 0.1694 0.0978 0.2766 ( 365 PWs) bands (ev): 6.2049 6.2049 9.8477 9.8477 10.4587 10.4587 10.9006 10.9006 11.0123 11.0123 11.9287 11.9287 27.3850 27.3850 28.1111 28.1111 37.6406 37.6406 k = 0.1653 0.0954 0.2700 ( 369 PWs) bands (ev): 6.0953 6.0953 9.8614 9.8614 10.4715 10.4715 10.8834 10.8834 11.0183 11.0183 11.8858 11.8858 27.6155 27.6155 28.3368 28.3368 37.8064 37.8064 k = 0.1613 0.0931 0.2634 ( 365 PWs) bands (ev): 5.9870 5.9870 9.8760 9.8760 10.4831 10.4831 10.8658 10.8658 11.0260 11.0260 11.8455 11.8455 27.8474 27.8474 28.5655 28.5655 37.9737 37.9737 k = 0.1573 0.0908 0.2568 ( 361 PWs) bands (ev): 5.8800 5.8800 9.8911 9.8911 10.4934 10.4934 10.8484 10.8484 11.0346 11.0346 11.8068 11.8068 28.0807 28.0807 28.7974 28.7974 38.1421 38.1421 k = 0.1532 0.0885 0.2502 ( 361 PWs) bands (ev): 5.7745 5.7745 9.9064 9.9064 10.5021 10.5021 10.8308 10.8308 11.0439 11.0439 11.7699 11.7699 28.3152 28.3152 29.0323 29.0323 38.3112 38.3112 k = 0.1492 0.0861 0.2436 ( 361 PWs) bands (ev): 5.6706 5.6706 9.9221 9.9221 10.5094 10.5094 10.8135 10.8135 11.0538 11.0538 11.7348 11.7348 28.5509 28.5509 29.2701 29.2701 38.4808 38.4808 k = 0.1452 0.0838 0.2370 ( 361 PWs) bands (ev): 5.5685 5.5685 9.9381 9.9381 10.5152 10.5152 10.7966 10.7966 11.0641 11.0641 11.7015 11.7015 28.7879 28.7879 29.5109 29.5109 38.6497 38.6497 k = 0.1411 0.0815 0.2305 ( 361 PWs) bands (ev): 5.4683 5.4683 9.9544 9.9544 10.5195 10.5195 10.7801 10.7801 11.0749 11.0749 11.6701 11.6701 29.0261 29.0261 29.7545 29.7545 38.8084 38.8084 k = 0.1371 0.0792 0.2239 ( 361 PWs) bands (ev): 5.3700 5.3700 9.9709 9.9709 10.5223 10.5223 10.7640 10.7640 11.0860 11.0860 11.6406 11.6406 29.2654 29.2654 30.0010 30.0010 38.7719 38.7719 k = 0.1331 0.0768 0.2173 ( 361 PWs) bands (ev): 5.2737 5.2737 9.9876 9.9876 10.5236 10.5236 10.7484 10.7484 11.0974 11.0974 11.6130 11.6130 29.5057 29.5057 30.2502 30.2502 38.6626 38.6626 k = 0.1290 0.0745 0.2107 ( 361 PWs) bands (ev): 5.1796 5.1796 10.0045 10.0045 10.5234 10.5234 10.7334 10.7334 11.1090 11.1090 11.5872 11.5872 29.7470 29.7470 30.5021 30.5021 38.5544 38.5544 k = 0.1250 0.0722 0.2041 ( 361 PWs) bands (ev): 5.0877 5.0877 10.0214 10.0214 10.5217 10.5217 10.7188 10.7188 11.1207 11.1207 11.5632 11.5632 29.9893 29.9893 30.7567 30.7567 38.4493 38.4493 k = 0.1210 0.0698 0.1975 ( 361 PWs) bands (ev): 4.9982 4.9982 10.0384 10.0384 10.5186 10.5186 10.7046 10.7046 11.1326 11.1326 11.5411 11.5411 30.2323 30.2323 31.0138 31.0138 38.3478 38.3478 k = 0.1169 0.0675 0.1910 ( 361 PWs) bands (ev): 4.9109 4.9109 10.0553 10.0553 10.5143 10.5143 10.6909 10.6909 11.1445 11.1445 11.5208 11.5208 30.4761 30.4761 31.2735 31.2735 38.2501 38.2501 k = 0.1129 0.0652 0.1844 ( 361 PWs) bands (ev): 4.8262 4.8262 10.0722 10.0722 10.5088 10.5088 10.6776 10.6776 11.1565 11.1565 11.5023 11.5023 30.7204 30.7204 31.5356 31.5356 38.1564 38.1564 k = 0.1089 0.0629 0.1778 ( 361 PWs) bands (ev): 4.7439 4.7439 10.0889 10.0889 10.5024 10.5024 10.6645 10.6645 11.1685 11.1685 11.4854 11.4854 30.9651 30.9651 31.8001 31.8001 38.0668 38.0668 k = 0.1048 0.0605 0.1712 ( 361 PWs) bands (ev): 4.6642 4.6642 10.1055 10.1055 10.4950 10.4950 10.6518 10.6518 11.1805 11.1805 11.4702 11.4702 31.2100 31.2100 32.0669 32.0669 37.9816 37.9816 k = 0.1008 0.0582 0.1646 ( 357 PWs) bands (ev): 4.5871 4.5871 10.1221 10.1221 10.4871 10.4871 10.6394 10.6394 11.1926 11.1926 11.4565 11.4565 31.4552 31.4552 32.3359 32.3359 37.9008 37.9008 k = 0.0968 0.0559 0.1580 ( 357 PWs) bands (ev): 4.5126 4.5126 10.1382 10.1382 10.4786 10.4786 10.6270 10.6270 11.2044 11.2044 11.4444 11.4444 31.6999 31.6999 32.6070 32.6070 37.8248 37.8248 k = 0.0927 0.0535 0.1514 ( 357 PWs) bands (ev): 4.4409 4.4409 10.1539 10.1539 10.4696 10.4696 10.6148 10.6148 11.2160 11.2160 11.4336 11.4336 31.9440 31.9440 32.8802 32.8802 37.7538 37.7538 k = 0.0887 0.0512 0.1449 ( 357 PWs) bands (ev): 4.3719 4.3719 10.1692 10.1692 10.4604 10.4604 10.6027 10.6027 11.2274 11.2274 11.4241 11.4241 32.1872 32.1872 33.1552 33.1552 37.6882 37.6882 k = 0.0847 0.0489 0.1383 ( 353 PWs) bands (ev): 4.3057 4.3057 10.1843 10.1843 10.4512 10.4512 10.5912 10.5912 11.2387 11.2387 11.4158 11.4158 32.4292 32.4292 33.4321 33.4321 37.6283 37.6283 k = 0.0806 0.0466 0.1317 ( 353 PWs) bands (ev): 4.2424 4.2424 10.1986 10.1986 10.4418 10.4418 10.5796 10.5796 11.2497 11.2497 11.4086 11.4086 32.6692 32.6692 33.7105 33.7105 37.5746 37.5746 k = 0.0766 0.0442 0.1251 ( 353 PWs) bands (ev): 4.1819 4.1819 10.2124 10.2124 10.4323 10.4323 10.5683 10.5683 11.2603 11.2603 11.4023 11.4023 32.9067 32.9067 33.9904 33.9904 37.5276 37.5276 k = 0.0726 0.0419 0.1185 ( 353 PWs) bands (ev): 4.1244 4.1244 10.2256 10.2256 10.4230 10.4230 10.5575 10.5575 11.2706 11.2706 11.3969 11.3969 33.1409 33.1409 34.2715 34.2715 37.4880 37.4880 k = 0.0685 0.0396 0.1119 ( 353 PWs) bands (ev): 4.0698 4.0698 10.2382 10.2382 10.4139 10.4139 10.5470 10.5470 11.2806 11.2806 11.3923 11.3923 33.3709 33.3709 34.5537 34.5537 37.4566 37.4566 k = 0.0645 0.0372 0.1054 ( 353 PWs) bands (ev): 4.0181 4.0181 10.2499 10.2499 10.4050 10.4050 10.5371 10.5371 11.2901 11.2901 11.3884 11.3884 33.5955 33.5955 34.8366 34.8366 37.4343 37.4343 k = 0.0605 0.0349 0.0988 ( 353 PWs) bands (ev): 3.9695 3.9695 10.2610 10.2610 10.3964 10.3964 10.5278 10.5278 11.2993 11.2993 11.3850 11.3850 33.8135 33.8135 35.1200 35.1200 37.4221 37.4221 k = 0.0565 0.0326 0.0922 ( 343 PWs) bands (ev): 3.9239 3.9239 10.2716 10.2716 10.3885 10.3885 10.5194 10.5194 11.3087 11.3087 11.3826 11.3826 34.0235 34.0235 35.4035 35.4035 37.4215 37.4215 k = 0.0524 0.0303 0.0856 ( 343 PWs) bands (ev): 3.8813 3.8813 10.2809 10.2809 10.3806 10.3806 10.5115 10.5115 11.3169 11.3169 11.3803 11.3803 34.2234 34.2234 35.6864 35.6864 37.4337 37.4337 k = 0.0484 0.0279 0.0790 ( 345 PWs) bands (ev): 3.8418 3.8418 10.2890 10.2890 10.3730 10.3730 10.5043 10.5043 11.3246 11.3246 11.3784 11.3784 34.4112 34.4112 35.9681 35.9681 37.4602 37.4602 k = 0.0444 0.0256 0.0724 ( 345 PWs) bands (ev): 3.8054 3.8054 10.2964 10.2964 10.3660 10.3660 10.4979 10.4979 11.3318 11.3318 11.3769 11.3769 34.5853 34.5853 36.2481 36.2481 37.5024 37.5024 k = 0.0403 0.0233 0.0658 ( 341 PWs) bands (ev): 3.7721 3.7721 10.3030 10.3030 10.3595 10.3595 10.4925 10.4925 11.3390 11.3390 11.3758 11.3758 34.7437 34.7437 36.5251 36.5251 37.5615 37.5615 k = 0.0363 0.0210 0.0593 ( 341 PWs) bands (ev): 3.7419 3.7419 10.3085 10.3085 10.3535 10.3535 10.4879 10.4879 11.3451 11.3451 11.3748 11.3748 34.8850 34.8850 36.7979 36.7979 37.6380 37.6380 k = 0.0323 0.0186 0.0527 ( 339 PWs) bands (ev): 3.7149 3.7149 10.3132 10.3132 10.3482 10.3482 10.4842 10.4842 11.3506 11.3506 11.3740 11.3740 35.0081 35.0081 37.0647 37.0647 37.7316 37.7316 k = 0.0282 0.0163 0.0461 ( 339 PWs) bands (ev): 3.6910 3.6910 10.3170 10.3170 10.3433 10.3433 10.4811 10.4811 11.3555 11.3555 11.3734 11.3734 35.1127 35.1127 37.3226 37.3226 37.8409 37.8409 k = 0.0242 0.0140 0.0395 ( 339 PWs) bands (ev): 3.6702 3.6702 10.3200 10.3200 10.3390 10.3390 10.4787 10.4787 11.3598 11.3598 11.3729 11.3729 35.1995 35.1995 37.5678 37.5678 37.9634 37.9634 k = 0.0202 0.0116 0.0329 ( 339 PWs) bands (ev): 3.6527 3.6527 10.3224 10.3224 10.3353 10.3353 10.4770 10.4770 11.3634 11.3634 11.3725 11.3725 35.2694 35.2694 37.7945 37.7945 38.0953 38.0953 k = 0.0161 0.0093 0.0263 ( 339 PWs) bands (ev): 3.6383 3.6383 10.3241 10.3241 10.3323 10.3323 10.4757 10.4757 11.3664 11.3664 11.3722 11.3722 35.3238 35.3238 37.9939 37.9939 38.2317 38.2317 k = 0.0121 0.0070 0.0198 ( 339 PWs) bands (ev): 3.6271 3.6271 10.3254 10.3254 10.3299 10.3299 10.4748 10.4748 11.3688 11.3688 11.3720 11.3720 35.3643 35.3643 38.1546 38.1546 38.3651 38.3651 k = 0.0081 0.0047 0.0132 ( 339 PWs) bands (ev): 3.6191 3.6191 10.3262 10.3262 10.3282 10.3282 10.4742 10.4742 11.3705 11.3705 11.3719 11.3719 35.3921 35.3921 38.2665 38.2665 38.4820 38.4821 k = 0.0040 0.0023 0.0066 ( 339 PWs) bands (ev): 3.6143 3.6143 10.3267 10.3267 10.3272 10.3272 10.4739 10.4739 11.3715 11.3715 11.3718 11.3718 35.4083 35.4083 38.3275 38.3275 38.5635 38.5635 k = 0.0000 0.0000 0.0000 ( 339 PWs) bands (ev): 3.6127 3.6127 10.3268 10.3268 10.3268 10.3268 10.4738 10.4738 11.3718 11.3718 11.3718 11.3718 35.4137 35.4137 38.3458 38.3458 38.5929 38.5929 k = 0.0000 0.0000 0.0000 ( 339 PWs) bands (ev): 3.6127 3.6127 10.3268 10.3268 10.3268 10.3268 10.4738 10.4738 11.3718 11.3718 11.3718 11.3718 35.4137 35.4137 38.3458 38.3458 38.5929 38.5929 k = 0.0066 0.0038 0.0027 ( 339 PWs) bands (ev): 3.6143 3.6143 10.3267 10.3267 10.3271 10.3271 10.4739 10.4739 11.3716 11.3716 11.3717 11.3717 35.4083 35.4083 38.3273 38.3273 38.5634 38.5634 k = 0.0132 0.0076 0.0054 ( 339 PWs) bands (ev): 3.6191 3.6191 10.3263 10.3263 10.3281 10.3281 10.4742 10.4742 11.3710 11.3710 11.3714 11.3714 35.3920 35.3920 38.2610 38.2610 38.4950 38.4950 k = 0.0197 0.0114 0.0081 ( 339 PWs) bands (ev): 3.6271 3.6271 10.3257 10.3257 10.3296 10.3296 10.4748 10.4748 11.3700 11.3700 11.3709 11.3709 35.3635 35.3635 38.1295 38.1295 38.4261 38.4261 k = 0.0263 0.0152 0.0107 ( 339 PWs) bands (ev): 3.6383 3.6383 10.3246 10.3246 10.3318 10.3318 10.4756 10.4756 11.3686 11.3686 11.3701 11.3701 35.3212 35.3212 37.9452 37.9452 38.3670 38.3670 k = 0.0329 0.0190 0.0134 ( 339 PWs) bands (ev): 3.6526 3.6526 10.3232 10.3232 10.3345 10.3345 10.4769 10.4769 11.3668 11.3668 11.3693 11.3693 35.2624 35.2624 37.7349 37.7349 38.3093 38.3093 k = 0.0395 0.0228 0.0161 ( 339 PWs) bands (ev): 3.6701 3.6701 10.3213 10.3213 10.3378 10.3378 10.4786 10.4786 11.3646 11.3646 11.3682 11.3682 35.1837 35.1837 37.5178 37.5178 38.2488 38.2488 k = 0.0461 0.0266 0.0188 ( 339 PWs) bands (ev): 3.6908 3.6908 10.3187 10.3187 10.3417 10.3417 10.4809 10.4809 11.3621 11.3621 11.3670 11.3670 35.0813 35.0813 37.3068 37.3068 38.1842 38.1842 k = 0.0526 0.0304 0.0215 ( 339 PWs) bands (ev): 3.7147 3.7147 10.3155 10.3155 10.3461 10.3461 10.4837 10.4837 11.3592 11.3592 11.3657 11.3657 34.9514 34.9514 37.1111 37.1111 38.1157 38.1157 k = 0.0592 0.0342 0.0242 ( 339 PWs) bands (ev): 3.7417 3.7417 10.3115 10.3115 10.3510 10.3510 10.4873 10.4873 11.3561 11.3561 11.3643 11.3643 34.7912 34.7912 36.9369 36.9369 38.0440 38.0440 k = 0.0658 0.0380 0.0269 ( 342 PWs) bands (ev): 3.7718 3.7718 10.3064 10.3064 10.3563 10.3563 10.4915 10.4915 11.3526 11.3526 11.3627 11.3627 34.5999 34.5999 36.7871 36.7871 37.9697 37.9697 k = 0.0724 0.0418 0.0295 ( 341 PWs) bands (ev): 3.8050 3.8050 10.3010 10.3010 10.3621 10.3621 10.4967 10.4967 11.3490 11.3490 11.3612 11.3612 34.3796 34.3796 36.6617 36.6617 37.8935 37.8935 k = 0.0789 0.0456 0.0322 ( 347 PWs) bands (ev): 3.8413 3.8413 10.2944 10.2944 10.3680 10.3680 10.5023 10.5023 11.3448 11.3448 11.3594 11.3594 34.1333 34.1333 36.5583 36.5583 37.8159 37.8159 k = 0.0855 0.0494 0.0349 ( 347 PWs) bands (ev): 3.8808 3.8808 10.2872 10.2872 10.3745 10.3745 10.5089 10.5089 11.3408 11.3408 11.3580 11.3580 33.8655 33.8655 36.4733 36.4733 37.7375 37.7375 k = 0.0921 0.0532 0.0376 ( 347 PWs) bands (ev): 3.9232 3.9232 10.2791 10.2791 10.3813 10.3813 10.5162 10.5162 11.3367 11.3367 11.3567 11.3567 33.5807 33.5807 36.4029 36.4029 37.6587 37.6587 k = 0.0987 0.0570 0.0403 ( 353 PWs) bands (ev): 3.9687 3.9687 10.2703 10.2703 10.3882 10.3882 10.5241 10.5241 11.3320 11.3320 11.3550 11.3550 33.2827 33.2827 36.3436 36.3436 37.5798 37.5798 k = 0.1053 0.0608 0.0430 ( 353 PWs) bands (ev): 4.0172 4.0172 10.2607 10.2607 10.3954 10.3954 10.5326 10.5326 11.3278 11.3278 11.3542 11.3542 32.9746 32.9746 36.2926 36.2926 37.5012 37.5012 k = 0.1118 0.0646 0.0457 ( 353 PWs) bands (ev): 4.0687 4.0687 10.2506 10.2506 10.4027 10.4027 10.5416 10.5416 11.3237 11.3237 11.3535 11.3535 32.6590 32.6590 36.2476 36.2476 37.4231 37.4231 k = 0.1184 0.0684 0.0483 ( 353 PWs) bands (ev): 4.1231 4.1231 10.2398 10.2398 10.4100 10.4100 10.5509 10.5509 11.3198 11.3198 11.3533 11.3533 32.3379 32.3379 36.2067 36.2067 37.3458 37.3458 k = 0.1250 0.0722 0.0510 ( 359 PWs) bands (ev): 4.1805 4.1805 10.2283 10.2283 10.4171 10.4171 10.5604 10.5604 11.3158 11.3158 11.3531 11.3531 32.0126 32.0126 36.1686 36.1686 37.2692 37.2692 k = 0.1316 0.0760 0.0537 ( 359 PWs) bands (ev): 4.2407 4.2407 10.2167 10.2167 10.4243 10.4243 10.5702 10.5702 11.3124 11.3124 11.3538 11.3538 31.6844 31.6844 36.1322 36.1322 37.1938 37.1938 k = 0.1382 0.0798 0.0564 ( 359 PWs) bands (ev): 4.3037 4.3037 10.2046 10.2046 10.4313 10.4313 10.5802 10.5802 11.3094 11.3094 11.3549 11.3549 31.3543 31.3543 36.0967 36.0967 37.1196 37.1196 k = 0.1447 0.0836 0.0591 ( 362 PWs) bands (ev): 4.3695 4.3695 10.1923 10.1923 10.4379 10.4379 10.5900 10.5900 11.3067 11.3067 11.3565 11.3565 31.0229 31.0229 36.0615 36.0615 37.0466 37.0466 k = 0.1513 0.0874 0.0618 ( 362 PWs) bands (ev): 4.4381 4.4381 10.1798 10.1798 10.4444 10.4444 10.5997 10.5997 11.3048 11.3048 11.3590 11.3590 30.6908 30.6908 36.0259 36.0259 36.9751 36.9751 k = 0.1579 0.0912 0.0645 ( 362 PWs) bands (ev): 4.5094 4.5094 10.1671 10.1671 10.4504 10.4504 10.6092 10.6092 11.3036 11.3036 11.3623 11.3623 30.3585 30.3585 35.9896 35.9896 36.9050 36.9050 k = 0.1645 0.0950 0.0671 ( 362 PWs) bands (ev): 4.5833 4.5833 10.1545 10.1545 10.4559 10.4559 10.6182 10.6182 11.3032 11.3032 11.3663 11.3663 30.0262 30.0262 35.9524 35.9524 36.8363 36.8363 k = 0.1711 0.0988 0.0698 ( 362 PWs) bands (ev): 4.6597 4.6597 10.1418 10.1418 10.4609 10.4609 10.6267 10.6267 11.3038 11.3038 11.3712 11.3712 29.6945 29.6945 35.9139 35.9139 36.7693 36.7693 k = 0.1776 0.1026 0.0725 ( 362 PWs) bands (ev): 4.7387 4.7387 10.1294 10.1294 10.4653 10.4653 10.6345 10.6345 11.3054 11.3054 11.3770 11.3770 29.3634 29.3634 35.8740 35.8740 36.7038 36.7038 k = 0.1842 0.1064 0.0752 ( 362 PWs) bands (ev): 4.8201 4.8201 10.1171 10.1171 10.4690 10.4690 10.6415 10.6415 11.3081 11.3081 11.3838 11.3838 29.0332 29.0332 35.8326 35.8326 36.6400 36.6400 k = 0.1908 0.1102 0.0779 ( 362 PWs) bands (ev): 4.9038 4.9038 10.1052 10.1052 10.4721 10.4721 10.6477 10.6477 11.3120 11.3120 11.3916 11.3916 28.7041 28.7041 35.7897 35.7897 36.5778 36.5778 k = 0.1974 0.1140 0.0806 ( 359 PWs) bands (ev): 4.9898 4.9898 10.0937 10.0937 10.4746 10.4746 10.6531 10.6531 11.3173 11.3173 11.4005 11.4005 28.3763 28.3763 35.7451 35.7451 36.5176 36.5176 k = 0.2039 0.1177 0.0833 ( 359 PWs) bands (ev): 5.0780 5.0780 10.0828 10.0828 10.4762 10.4762 10.6572 10.6572 11.3239 11.3239 11.4103 11.4103 28.0499 28.0499 35.6989 35.6989 36.4587 36.4587 k = 0.2105 0.1215 0.0859 ( 359 PWs) bands (ev): 5.1682 5.1682 10.0725 10.0725 10.4770 10.4770 10.6603 10.6603 11.3319 11.3319 11.4211 11.4211 27.7250 27.7250 35.6511 35.6511 36.4016 36.4016 k = 0.2171 0.1253 0.0886 ( 359 PWs) bands (ev): 5.2603 5.2603 10.0630 10.0630 10.4770 10.4770 10.6622 10.6622 11.3412 11.3412 11.4330 11.4330 27.4018 27.4018 35.6019 35.6019 36.3462 36.3462 k = 0.2237 0.1291 0.0913 ( 359 PWs) bands (ev): 5.3543 5.3543 10.0543 10.0543 10.4762 10.4762 10.6629 10.6629 11.3520 11.3520 11.4459 11.4459 27.0803 27.0803 35.5512 35.5512 36.2926 36.2926 k = 0.2303 0.1329 0.0940 ( 359 PWs) bands (ev): 5.4499 5.4499 10.0468 10.0468 10.4747 10.4747 10.6626 10.6626 11.3641 11.3641 11.4597 11.4597 26.7607 26.7607 35.4991 35.4991 36.2406 36.2406 k = 0.2368 0.1367 0.0967 ( 359 PWs) bands (ev): 5.5471 5.5471 10.0404 10.0404 10.4724 10.4724 10.6612 10.6612 11.3774 11.3774 11.4745 11.4745 26.4431 26.4431 35.4459 35.4459 36.1904 36.1904 k = 0.2434 0.1405 0.0994 ( 359 PWs) bands (ev): 5.6456 5.6456 10.0354 10.0354 10.4694 10.4694 10.6587 10.6587 11.3920 11.3920 11.4901 11.4901 26.1275 26.1275 35.3916 35.3916 36.1419 36.1419 k = 0.2500 0.1443 0.1021 ( 359 PWs) bands (ev): 5.7453 5.7453 10.0319 10.0319 10.4658 10.4658 10.6553 10.6553 11.4078 11.4078 11.5066 11.5066 25.8140 25.8140 35.3363 35.3363 36.0950 36.0950 k = 0.2566 0.1481 0.1047 ( 359 PWs) bands (ev): 5.8460 5.8460 10.0301 10.0301 10.4615 10.4615 10.6510 10.6510 11.4246 11.4246 11.5238 11.5238 25.5028 25.5028 35.2803 35.2803 36.0499 36.0499 k = 0.2632 0.1519 0.1074 ( 359 PWs) bands (ev): 5.9475 5.9475 10.0302 10.0302 10.4566 10.4566 10.6459 10.6459 11.4423 11.4423 11.5417 11.5417 25.1939 25.1939 35.2236 35.2236 36.0065 36.0065 k = 0.2697 0.1557 0.1101 ( 359 PWs) bands (ev): 6.0494 6.0494 10.0325 10.0325 10.4512 10.4512 10.6400 10.6400 11.4609 11.4609 11.5602 11.5602 24.8875 24.8875 35.1665 35.1665 35.9648 35.9648 k = 0.2763 0.1595 0.1128 ( 362 PWs) bands (ev): 6.1516 6.1516 10.0366 10.0366 10.4454 10.4454 10.6335 10.6335 11.4801 11.4801 11.5792 11.5792 24.5835 24.5835 35.1090 35.1090 35.9247 35.9247 k = 0.2829 0.1633 0.1155 ( 362 PWs) bands (ev): 6.2538 6.2538 10.0438 10.0438 10.4390 10.4390 10.6264 10.6264 11.5000 11.5000 11.5987 11.5987 24.2821 24.2821 35.0513 35.0513 35.8863 35.8863 k = 0.2895 0.1671 0.1182 ( 362 PWs) bands (ev): 6.3557 6.3557 10.0538 10.0538 10.4323 10.4323 10.6188 10.6188 11.5204 11.5204 11.6187 11.6187 23.9834 23.9834 34.9938 34.9938 35.8495 35.8495 k = 0.2961 0.1709 0.1209 ( 359 PWs) bands (ev): 6.4570 6.4570 10.0675 10.0675 10.4253 10.4253 10.6108 10.6108 11.5413 11.5413 11.6390 11.6390 23.6876 23.6876 34.9364 34.9364 35.8144 35.8144 k = 0.3026 0.1747 0.1235 ( 359 PWs) bands (ev): 6.5573 6.5573 10.0840 10.0840 10.4180 10.4180 10.6025 10.6025 11.5625 11.5625 11.6595 11.6595 23.3946 23.3946 34.8793 34.8793 35.7808 35.7808 k = 0.3092 0.1785 0.1262 ( 359 PWs) bands (ev): 6.6562 6.6562 10.1042 10.1042 10.4105 10.4105 10.5939 10.5939 11.5839 11.5839 11.6801 11.6801 23.1047 23.1047 34.8226 34.8226 35.7489 35.7489 k = 0.3158 0.1823 0.1289 ( 359 PWs) bands (ev): 6.7533 6.7533 10.1284 10.1284 10.4028 10.4028 10.5851 10.5851 11.6054 11.6054 11.7009 11.7009 22.8180 22.8180 34.7666 34.7666 35.7185 35.7185 k = 0.3224 0.1861 0.1316 ( 359 PWs) bands (ev): 6.8483 6.8483 10.1569 10.1569 10.3949 10.3949 10.5762 10.5762 11.6270 11.6270 11.7216 11.7216 22.5345 22.5345 34.7114 34.7114 35.6897 35.6897 k = 0.3289 0.1899 0.1343 ( 359 PWs) bands (ev): 6.9408 6.9408 10.1899 10.1899 10.3870 10.3870 10.5672 10.5672 11.6485 11.6485 11.7423 11.7423 22.2545 22.2545 34.6570 34.6570 35.6624 35.6624 k = 0.3355 0.1937 0.1370 ( 359 PWs) bands (ev): 7.0304 7.0304 10.2277 10.2277 10.3791 10.3791 10.5583 10.5583 11.6698 11.6698 11.7629 11.7629 21.9781 21.9781 34.6037 34.6037 35.6366 35.6366 k = 0.3421 0.1975 0.1397 ( 359 PWs) bands (ev): 7.1166 7.1166 10.2706 10.2706 10.3711 10.3711 10.5493 10.5493 11.6910 11.6910 11.7833 11.7833 21.7056 21.7056 34.5515 34.5515 35.6122 35.6122 k = 0.3487 0.2013 0.1423 ( 359 PWs) bands (ev): 7.1992 7.1992 10.3186 10.3186 10.3632 10.3632 10.5406 10.5406 11.7119 11.7119 11.8033 11.8033 21.4370 21.4370 34.5006 34.5006 35.5893 35.5893 k = 0.3553 0.2051 0.1450 ( 359 PWs) bands (ev): 7.2778 7.2778 10.3553 10.3553 10.3717 10.3717 10.5322 10.5322 11.7324 11.7324 11.8231 11.8231 21.1727 21.1727 34.4511 34.4511 35.5679 35.5679 k = 0.3618 0.2089 0.1477 ( 359 PWs) bands (ev): 7.3521 7.3521 10.3476 10.3476 10.4296 10.4296 10.5247 10.5247 11.7525 11.7525 11.8424 11.8424 20.9129 20.9129 34.4030 34.4030 35.5478 35.5478 k = 0.3684 0.2127 0.1504 ( 359 PWs) bands (ev): 7.4219 7.4219 10.3400 10.3400 10.4869 10.4869 10.5233 10.5233 11.7720 11.7720 11.8613 11.8613 20.6578 20.6578 34.3566 34.3566 35.5290 35.5290 k = 0.3750 0.2165 0.1531 ( 359 PWs) bands (ev): 7.4872 7.4872 10.3326 10.3326 10.5009 10.5009 10.5708 10.5708 11.7911 11.7911 11.8797 11.8797 20.4078 20.4078 34.3118 34.3118 35.5116 35.5116 k = 0.3816 0.2203 0.1558 ( 362 PWs) bands (ev): 7.5474 7.5474 10.3254 10.3254 10.4950 10.4950 10.6431 10.6431 11.8095 11.8095 11.8974 11.8974 20.1632 20.1632 34.2689 34.2689 35.4955 35.4955 k = 0.3882 0.2241 0.1585 ( 362 PWs) bands (ev): 7.6032 7.6032 10.3184 10.3184 10.4879 10.4879 10.7219 10.7219 11.8272 11.8272 11.9146 11.9146 19.9245 19.9245 34.2278 34.2278 35.4806 35.4806 k = 0.3947 0.2279 0.1612 ( 362 PWs) bands (ev): 7.6543 7.6543 10.3117 10.3117 10.4807 10.4807 10.8052 10.8052 11.8443 11.8443 11.9310 11.9310 19.6920 19.6920 34.1886 34.1886 35.4669 35.4669 k = 0.4013 0.2317 0.1638 ( 362 PWs) bands (ev): 7.7009 7.7009 10.3053 10.3053 10.4738 10.4738 10.8923 10.8923 11.8605 11.8605 11.9467 11.9467 19.4663 19.4663 34.1515 34.1515 35.4544 35.4544 k = 0.4079 0.2355 0.1665 ( 362 PWs) bands (ev): 7.7430 7.7430 10.2992 10.2992 10.4671 10.4671 10.9823 10.9823 11.8759 11.8759 11.9617 11.9617 19.2480 19.2480 34.1164 34.1164 35.4430 35.4430 k = 0.4145 0.2393 0.1692 ( 362 PWs) bands (ev): 7.7809 7.7809 10.2934 10.2934 10.4608 10.4608 11.0744 11.0744 11.8905 11.8905 11.9758 11.9758 19.0377 19.0377 34.0835 34.0835 35.4326 35.4326 k = 0.4211 0.2431 0.1719 ( 362 PWs) bands (ev): 7.8148 7.8148 10.2880 10.2880 10.4548 10.4548 11.1677 11.1677 11.9041 11.9041 11.9890 11.9890 18.8362 18.8362 34.0528 34.0528 35.4233 35.4233 k = 0.4276 0.2469 0.1746 ( 356 PWs) bands (ev): 7.8450 7.8450 10.2831 10.2831 10.4495 10.4495 11.2610 11.2610 11.9172 11.9172 12.0017 12.0017 18.6443 18.6443 34.0244 34.0244 35.4150 35.4150 k = 0.4342 0.2507 0.1773 ( 362 PWs) bands (ev): 7.8715 7.8715 10.2783 10.2783 10.4442 10.4442 11.3533 11.3533 11.9284 11.9284 12.0126 12.0126 18.4629 18.4629 33.9983 33.9983 35.4075 35.4075 k = 0.4408 0.2545 0.1800 ( 362 PWs) bands (ev): 7.8948 7.8948 10.2741 10.2741 10.4395 10.4395 11.4433 11.4433 11.9391 11.9391 12.0230 12.0230 18.2931 18.2931 33.9745 33.9745 35.4010 35.4010 k = 0.4474 0.2583 0.1826 ( 362 PWs) bands (ev): 7.9150 7.9150 10.2702 10.2702 10.4353 10.4353 11.5296 11.5296 11.9486 11.9486 12.0324 12.0324 18.1360 18.1360 33.9532 33.9532 35.3953 35.3953 k = 0.4539 0.2621 0.1853 ( 368 PWs) bands (ev): 7.9321 7.9321 10.2666 10.2666 10.4314 10.4314 11.6107 11.6107 11.9568 11.9568 12.0405 12.0405 17.9929 17.9929 33.9343 33.9343 35.3904 35.3904 k = 0.4605 0.2659 0.1880 ( 368 PWs) bands (ev): 7.9467 7.9467 10.2636 10.2636 10.4281 10.4281 11.6854 11.6854 11.9641 11.9641 12.0477 12.0477 17.8651 17.8651 33.9178 33.9178 35.3862 35.3862 k = 0.4671 0.2697 0.1907 ( 368 PWs) bands (ev): 7.9588 7.9588 10.2611 10.2611 10.4253 10.4253 11.7520 11.7520 11.9702 11.9702 12.0539 12.0539 17.7539 17.7539 33.9038 33.9038 35.3827 35.3827 k = 0.4737 0.2735 0.1934 ( 368 PWs) bands (ev): 7.9684 7.9684 10.2590 10.2590 10.4230 10.4230 11.8092 11.8092 11.9750 11.9750 12.0590 12.0590 17.6606 17.6606 33.8923 33.8923 35.3799 35.3799 k = 0.4803 0.2773 0.1961 ( 368 PWs) bands (ev): 7.9758 7.9758 10.2574 10.2574 10.4212 10.4212 11.8555 11.8555 11.9784 11.9784 12.0630 12.0630 17.5865 17.5865 33.8834 33.8834 35.3778 35.3778 k = 0.4868 0.2811 0.1988 ( 368 PWs) bands (ev): 7.9811 7.9811 10.2562 10.2562 10.4199 10.4199 11.8900 11.8900 11.9805 11.9805 12.0659 12.0659 17.5327 17.5327 33.8770 33.8770 35.3763 35.3763 k = 0.4934 0.2849 0.2014 ( 368 PWs) bands (ev): 7.9842 7.9842 10.2555 10.2555 10.4192 10.4192 11.9115 11.9115 11.9814 11.9814 12.0676 12.0676 17.5001 17.5001 33.8732 33.8732 35.3754 35.3754 k = 0.5000 0.2887 0.2041 ( 368 PWs) bands (ev): 7.9852 7.9852 10.2553 10.2553 10.4189 10.4189 11.9188 11.9188 11.9815 11.9815 12.0682 12.0682 17.4891 17.4891 33.8719 33.8719 35.3751 35.3751 k = 0.5000 0.2887 0.2041 ( 368 PWs) bands (ev): 7.9852 7.9852 10.2553 10.2553 10.4189 10.4189 11.9188 11.9188 11.9815 11.9815 12.0682 12.0682 17.4891 17.4891 33.8719 33.8719 35.3751 35.3751 k = 0.5023 0.2820 0.2079 ( 368 PWs) bands (ev): 7.9862 7.9862 10.2552 10.2552 10.4188 10.4188 11.8678 11.8678 12.0068 12.0068 12.0955 12.0955 17.4894 17.4894 33.8609 33.8609 35.3548 35.3548 k = 0.5046 0.2753 0.2117 ( 368 PWs) bands (ev): 7.9894 7.9894 10.2550 10.2550 10.4185 10.4185 11.7905 11.7905 12.0185 12.0185 12.1661 12.1661 17.4903 17.4903 33.8274 33.8274 35.2958 35.2958 k = 0.5069 0.2686 0.2155 ( 368 PWs) bands (ev): 7.9947 7.9947 10.2545 10.2545 10.4181 10.4181 11.7109 11.7109 12.0212 12.0212 12.2511 12.2511 17.4917 17.4917 33.7692 33.7692 35.2047 35.2047 k = 0.5093 0.2619 0.2192 ( 368 PWs) bands (ev): 8.0020 8.0020 10.2536 10.2536 10.4178 10.4178 11.6318 11.6318 12.0217 12.0217 12.3412 12.3412 17.4938 17.4938 33.6835 33.6835 35.0921 35.0921 k = 0.5116 0.2553 0.2230 ( 368 PWs) bands (ev): 8.0115 8.0115 10.2519 10.2519 10.4179 10.4179 11.5539 11.5539 12.0214 12.0214 12.4341 12.4341 17.4964 17.4964 33.5672 33.5672 34.9700 34.9700 k = 0.5139 0.2486 0.2268 ( 368 PWs) bands (ev): 8.0230 8.0230 10.2492 10.2492 10.4186 10.4186 11.4776 11.4776 12.0206 12.0206 12.5293 12.5293 17.4997 17.4997 33.4186 33.4186 34.8481 34.8481 k = 0.5162 0.2419 0.2306 ( 366 PWs) bands (ev): 8.0365 8.0365 10.2453 10.2453 10.4203 10.4203 11.4033 11.4033 12.0196 12.0196 12.6264 12.6264 17.5035 17.5035 33.2381 33.2381 34.7311 34.7311 k = 0.5185 0.2352 0.2344 ( 368 PWs) bands (ev): 8.0519 8.0519 10.2394 10.2394 10.4230 10.4230 11.3306 11.3306 12.0183 12.0183 12.7252 12.7252 17.5080 17.5080 33.0285 33.0285 34.6169 34.6169 k = 0.5208 0.2285 0.2381 ( 370 PWs) bands (ev): 8.0692 8.0692 10.2316 10.2316 10.4271 10.4271 11.2600 11.2600 12.0167 12.0167 12.8257 12.8257 17.5132 17.5132 32.7945 32.7945 34.4966 34.4966 k = 0.5231 0.2219 0.2419 ( 366 PWs) bands (ev): 8.0887 8.0887 10.2219 10.2219 10.4331 10.4331 11.1917 11.1917 12.0152 12.0152 12.9280 12.9280 17.5191 17.5191 32.5407 32.5407 34.3614 34.3614 k = 0.5255 0.2152 0.2457 ( 370 PWs) bands (ev): 8.1100 8.1100 10.2097 10.2097 10.4406 10.4406 11.1252 11.1252 12.0132 12.0132 13.0316 13.0316 17.5256 17.5256 32.2716 32.2716 34.2117 34.2117 k = 0.5278 0.2085 0.2495 ( 368 PWs) bands (ev): 8.1331 8.1331 10.1954 10.1954 10.4499 10.4499 11.0614 11.0614 12.0111 12.0111 13.1370 13.1370 17.5329 17.5329 31.9909 31.9909 34.0532 34.0532 k = 0.5301 0.2018 0.2533 ( 368 PWs) bands (ev): 8.1579 8.1579 10.1787 10.1787 10.4607 10.4607 10.9999 10.9999 12.0089 12.0089 13.2439 13.2439 17.5410 17.5410 31.7013 31.7013 33.8898 33.8898 k = 0.5324 0.1951 0.2570 ( 368 PWs) bands (ev): 8.1845 8.1845 10.1598 10.1598 10.4729 10.4729 10.9411 10.9411 12.0065 12.0065 13.3522 13.3522 17.5498 17.5498 31.4051 31.4051 33.7239 33.7239 k = 0.5347 0.1884 0.2608 ( 368 PWs) bands (ev): 8.2126 8.2126 10.1388 10.1388 10.4862 10.4862 10.8851 10.8851 12.0039 12.0039 13.4621 13.4621 17.5595 17.5595 31.1040 31.1040 33.5566 33.5566 k = 0.5370 0.1818 0.2646 ( 368 PWs) bands (ev): 8.2423 8.2423 10.1156 10.1156 10.5003 10.5003 10.8322 10.8322 12.0012 12.0012 13.5735 13.5735 17.5700 17.5700 30.7994 30.7994 33.3889 33.3889 k = 0.5394 0.1751 0.2684 ( 368 PWs) bands (ev): 8.2734 8.2734 10.0905 10.0905 10.5147 10.5147 10.7830 10.7830 11.9983 11.9983 13.6863 13.6863 17.5814 17.5814 30.4921 30.4921 33.2212 33.2212 k = 0.5417 0.1684 0.2722 ( 368 PWs) bands (ev): 8.3059 8.3059 10.0635 10.0635 10.5282 10.5282 10.7385 10.7385 11.9954 11.9954 13.8006 13.8006 17.5938 17.5938 30.1831 30.1831 33.0540 33.0540 k = 0.5440 0.1617 0.2759 ( 368 PWs) bands (ev): 8.3397 8.3397 10.0347 10.0347 10.5387 10.5387 10.7008 10.7008 11.9923 11.9923 13.9164 13.9164 17.6071 17.6071 29.8730 29.8730 32.8875 32.8875 k = 0.5463 0.1550 0.2797 ( 367 PWs) bands (ev): 8.3745 8.3745 10.0045 10.0045 10.5416 10.5416 10.6744 10.6744 11.9891 11.9891 14.0336 14.0336 17.6214 17.6214 29.5625 29.5625 32.7220 32.7220 k = 0.5486 0.1483 0.2835 ( 367 PWs) bands (ev): 8.4104 8.4104 9.9726 9.9726 10.5315 10.5315 10.6646 10.6646 11.9858 11.9858 14.1522 14.1522 17.6368 17.6368 29.2518 29.2518 32.5577 32.5577 k = 0.5509 0.1417 0.2873 ( 370 PWs) bands (ev): 8.4471 8.4471 9.9393 9.9393 10.5092 10.5092 10.6701 10.6701 11.9825 11.9825 14.2721 14.2721 17.6533 17.6533 28.9414 28.9414 32.3947 32.3947 k = 0.5532 0.1350 0.2911 ( 368 PWs) bands (ev): 8.4846 8.4846 9.9050 9.9050 10.4812 10.4812 10.6853 10.6853 11.9793 11.9793 14.3935 14.3935 17.6709 17.6709 28.6316 28.6316 32.2332 32.2332 k = 0.5556 0.1283 0.2948 ( 368 PWs) bands (ev): 8.5226 8.5226 9.8696 9.8696 10.4516 10.4516 10.7053 10.7053 11.9758 11.9758 14.5162 14.5162 17.6897 17.6897 28.3228 28.3228 32.0734 32.0734 k = 0.5579 0.1216 0.2986 ( 370 PWs) bands (ev): 8.5609 8.5609 9.8335 9.8335 10.4224 10.4224 10.7280 10.7280 11.9721 11.9721 14.6403 14.6403 17.7096 17.7096 28.0153 28.0153 31.9152 31.9152 k = 0.5602 0.1149 0.3024 ( 370 PWs) bands (ev): 8.5995 8.5995 9.7969 9.7969 10.3945 10.3945 10.7527 10.7527 11.9686 11.9686 14.7657 14.7657 17.7308 17.7308 27.7092 27.7092 31.7588 31.7588 k = 0.5625 0.1083 0.3062 ( 370 PWs) bands (ev): 8.6380 8.6380 9.7599 9.7599 10.3683 10.3683 10.7788 10.7788 11.9650 11.9650 14.8924 14.8924 17.7533 17.7533 27.4048 27.4048 31.6044 31.6044 k = 0.5648 0.1016 0.3100 ( 370 PWs) bands (ev): 8.6763 8.6763 9.7227 9.7227 10.3440 10.3440 10.8059 10.8059 11.9614 11.9614 15.0203 15.0203 17.7771 17.7771 27.1024 27.1024 31.4519 31.4519 k = 0.5671 0.0949 0.3137 ( 370 PWs) bands (ev): 8.7140 8.7140 9.6856 9.6856 10.3219 10.3219 10.8339 10.8339 11.9578 11.9578 15.1496 15.1496 17.8022 17.8022 26.8021 26.8021 31.3016 31.3016 k = 0.5694 0.0882 0.3175 ( 370 PWs) bands (ev): 8.7510 8.7510 9.6486 9.6486 10.3019 10.3019 10.8626 10.8626 11.9543 11.9543 15.2800 15.2800 17.8286 17.8286 26.5042 26.5042 31.1533 31.1533 k = 0.5718 0.0815 0.3213 ( 370 PWs) bands (ev): 8.7869 8.7869 9.6120 9.6120 10.2843 10.2843 10.8919 10.8919 11.9508 11.9508 15.4116 15.4116 17.8564 17.8564 26.2089 26.2089 31.0073 31.0073 k = 0.5741 0.0748 0.3251 ( 370 PWs) bands (ev): 8.8214 8.8214 9.5758 9.5758 10.2693 10.2693 10.9217 10.9217 11.9474 11.9474 15.5444 15.5444 17.8855 17.8855 25.9165 25.9165 30.8635 30.8635 k = 0.5764 0.0682 0.3289 ( 369 PWs) bands (ev): 8.8542 8.8542 9.5402 9.5402 10.2570 10.2570 10.9518 10.9518 11.9441 11.9441 15.6782 15.6782 17.9159 17.9159 25.6273 25.6273 30.7221 30.7221 k = 0.5787 0.0615 0.3326 ( 369 PWs) bands (ev): 8.8850 8.8850 9.5054 9.5054 10.2474 10.2474 10.9823 10.9823 11.9409 11.9409 15.8131 15.8131 17.9475 17.9475 25.3415 25.3415 30.5831 30.5831 k = 0.5810 0.0548 0.3364 ( 369 PWs) bands (ev): 8.9134 8.9134 9.4714 9.4714 10.2406 10.2406 11.0130 11.0130 11.9378 11.9378 15.9488 15.9488 17.9804 17.9804 25.0593 25.0593 30.4466 30.4466 k = 0.5833 0.0481 0.3402 ( 371 PWs) bands (ev): 8.9391 8.9391 9.4382 9.4382 10.2369 10.2369 11.0438 11.0438 11.9349 11.9349 16.0855 16.0855 18.0144 18.0144 24.7813 24.7813 30.3126 30.3126 k = 0.5856 0.0414 0.3440 ( 367 PWs) bands (ev): 8.9620 8.9620 9.4067 9.4067 10.2365 10.2365 11.0749 11.0749 11.9323 11.9323 16.2228 16.2228 18.0494 18.0494 24.5078 24.5078 30.1813 30.1813 k = 0.5880 0.0347 0.3478 ( 367 PWs) bands (ev): 8.9813 8.9813 9.3761 9.3761 10.2392 10.2392 11.1057 11.1057 11.9299 11.9299 16.3607 16.3607 18.0852 18.0852 24.2392 24.2392 30.0526 30.0526 k = 0.5903 0.0281 0.3515 ( 365 PWs) bands (ev): 8.9972 8.9972 9.3470 9.3470 10.2453 10.2453 11.1365 11.1365 11.9280 11.9280 16.4990 16.4990 18.1218 18.1218 23.9761 23.9761 29.9267 29.9267 k = 0.5926 0.0214 0.3553 ( 365 PWs) bands (ev): 9.0091 9.0091 9.3196 9.3196 10.2545 10.2545 11.1668 11.1668 11.9262 11.9262 16.6373 16.6373 18.1590 18.1590 23.7191 23.7191 29.8035 29.8035 k = 0.5949 0.0147 0.3591 ( 365 PWs) bands (ev): 9.0170 9.0170 9.2939 9.2939 10.2669 10.2669 11.1968 11.1968 11.9248 11.9248 16.7753 16.7753 18.1964 18.1964 23.4690 23.4690 29.6832 29.6832 k = 0.5972 0.0080 0.3629 ( 367 PWs) bands (ev): 9.0207 9.0207 9.2704 9.2704 10.2822 10.2822 11.2260 11.2260 11.9239 11.9239 16.9125 16.9125 18.2341 18.2341 23.2266 23.2266 29.5657 29.5657 k = 0.5995 0.0013 0.3667 ( 367 PWs) bands (ev): 9.0202 9.0202 9.2490 9.2490 10.3003 10.3003 11.2549 11.2549 11.9234 11.9234 17.0480 17.0480 18.2718 18.2718 22.9930 22.9930 29.4514 29.4514 k = 0.6019-0.0053 0.3704 ( 367 PWs) bands (ev): 9.0157 9.0157 9.2300 9.2300 10.3209 10.3209 11.2831 11.2831 11.9235 11.9235 17.1808 17.1808 18.3097 18.3097 22.7693 22.7693 29.3400 29.3400 k = 0.6042-0.0120 0.3742 ( 370 PWs) bands (ev): 9.0073 9.0073 9.2130 9.2130 10.3434 10.3434 11.3104 11.3104 11.9241 11.9241 17.3092 17.3092 18.3482 18.3482 22.5569 22.5569 29.2318 29.2318 k = 0.6065-0.0187 0.3780 ( 372 PWs) bands (ev): 8.9956 8.9956 9.1979 9.1979 10.3681 10.3681 11.3368 11.3368 11.9252 11.9252 17.4307 17.4307 18.3882 18.3882 22.3575 22.3575 29.1268 29.1268 k = 0.6088-0.0254 0.3818 ( 372 PWs) bands (ev): 8.9813 8.9813 9.1844 9.1844 10.3943 10.3943 11.3621 11.3621 11.9273 11.9273 17.5415 17.5415 18.4320 18.4320 22.1729 22.1729 29.0250 29.0250 k = 0.6111-0.0321 0.3856 ( 372 PWs) bands (ev): 8.9649 8.9649 9.1721 9.1721 10.4218 10.4218 11.3861 11.3861 11.9301 11.9301 17.6366 17.6366 18.4827 18.4827 22.0050 22.0050 28.9266 28.9266 k = 0.6134-0.0388 0.3893 ( 372 PWs) bands (ev): 8.9471 8.9471 9.1606 9.1606 10.4503 10.4503 11.4089 11.4089 11.9338 11.9338 17.7097 17.7097 18.5447 18.5447 21.8558 21.8558 28.8315 28.8315 k = 0.6157-0.0454 0.3931 ( 370 PWs) bands (ev): 8.9283 8.9283 9.1497 9.1497 10.4793 10.4793 11.4304 11.4304 11.9384 11.9384 17.7549 17.7549 18.6222 18.6222 21.7273 21.7273 28.7400 28.7400 k = 0.6181-0.0521 0.3969 ( 371 PWs) bands (ev): 8.9086 8.9086 9.1391 9.1391 10.5087 10.5087 11.4502 11.4502 11.9438 11.9438 17.7686 17.7686 18.7171 18.7171 21.6212 21.6212 28.6519 28.6519 k = 0.6204-0.0588 0.4007 ( 371 PWs) bands (ev): 8.8887 8.8887 9.1289 9.1289 10.5381 10.5381 11.4684 11.4684 11.9501 11.9501 17.7504 17.7504 18.8288 18.8288 21.5386 21.5386 28.5674 28.5674 k = 0.6227-0.0655 0.4045 ( 371 PWs) bands (ev): 8.8686 8.8686 9.1190 9.1190 10.5673 10.5673 11.4849 11.4849 11.9574 11.9574 17.7027 17.7027 18.9544 18.9544 21.4801 21.4801 28.4866 28.4866 k = 0.6250-0.0722 0.4082 ( 371 PWs) bands (ev): 8.8485 8.8485 9.1093 9.1093 10.5962 10.5962 11.4998 11.4998 11.9654 11.9654 17.6286 17.6286 19.0911 19.0911 21.4456 21.4456 28.4095 28.4095 k = 0.6250-0.0722 0.4082 ( 371 PWs) bands (ev): 8.8485 8.8485 9.1093 9.1093 10.5962 10.5962 11.4998 11.4998 11.9654 11.9654 17.6286 17.6286 19.0911 19.0911 21.4456 21.4456 28.4095 28.4095 k = 0.6210-0.0698 0.4148 ( 371 PWs) bands (ev): 8.8491 8.8491 9.1099 9.1099 10.5945 10.5945 11.4993 11.4993 11.9662 11.9662 17.6307 17.6307 19.0927 19.0927 21.4461 21.4461 28.3832 28.3832 k = 0.6169-0.0675 0.4214 ( 371 PWs) bands (ev): 8.8506 8.8506 9.1116 9.1116 10.5896 10.5896 11.4980 11.4980 11.9686 11.9686 17.6370 17.6370 19.0975 19.0975 21.4476 21.4476 28.3064 28.3064 k = 0.6129-0.0652 0.4280 ( 372 PWs) bands (ev): 8.8530 8.8530 9.1145 9.1145 10.5815 10.5815 11.4958 11.4958 11.9724 11.9724 17.6475 17.6475 19.1055 19.1055 21.4502 21.4502 28.1847 28.1847 k = 0.6089-0.0629 0.4346 ( 372 PWs) bands (ev): 8.8565 8.8565 9.1187 9.1187 10.5703 10.5703 11.4926 11.4926 11.9777 11.9777 17.6623 17.6623 19.1166 19.1166 21.4538 21.4538 28.0254 28.0254 k = 0.6048-0.0605 0.4412 ( 372 PWs) bands (ev): 8.8609 8.8609 9.1243 9.1243 10.5561 10.5561 11.4884 11.4884 11.9846 11.9846 17.6812 17.6812 19.1309 19.1309 21.4584 21.4584 27.8360 27.8360 k = 0.6008-0.0582 0.4478 ( 372 PWs) bands (ev): 8.8662 8.8662 9.1310 9.1310 10.5392 10.5392 11.4836 11.4836 11.9924 11.9924 17.7042 17.7042 19.1482 19.1482 21.4641 21.4641 27.6235 27.6235 k = 0.5968-0.0559 0.4543 ( 372 PWs) bands (ev): 8.8722 8.8722 9.1391 9.1391 10.5197 10.5197 11.4780 11.4780 12.0012 12.0012 17.7314 17.7314 19.1685 19.1685 21.4708 21.4708 27.3934 27.3934 k = 0.5927-0.0535 0.4609 ( 372 PWs) bands (ev): 8.8788 8.8788 9.1486 9.1486 10.4977 10.4977 11.4715 11.4715 12.0110 12.0110 17.7628 17.7628 19.1917 19.1917 21.4785 21.4785 27.1502 27.1502 k = 0.5887-0.0512 0.4675 ( 372 PWs) bands (ev): 8.8859 8.8859 9.1595 9.1595 10.4736 10.4736 11.4644 11.4644 12.0214 12.0214 17.7982 17.7982 19.2177 19.2177 21.4873 21.4873 26.8975 26.8975 k = 0.5847-0.0489 0.4741 ( 372 PWs) bands (ev): 8.8935 8.8935 9.1720 9.1720 10.4475 10.4475 11.4566 11.4566 12.0324 12.0324 17.8376 17.8376 19.2464 19.2464 21.4971 21.4971 26.6380 26.6380 k = 0.5806-0.0466 0.4807 ( 372 PWs) bands (ev): 8.9014 8.9014 9.1859 9.1859 10.4196 10.4196 11.4481 11.4481 12.0438 12.0438 17.8811 17.8811 19.2777 19.2777 21.5080 21.5080 26.3740 26.3740 k = 0.5766-0.0442 0.4873 ( 378 PWs) bands (ev): 8.9094 8.9094 9.2012 9.2012 10.3901 10.3901 11.4388 11.4388 12.0550 12.0550 17.9285 17.9285 19.3114 19.3114 21.5198 21.5198 26.1069 26.1069 k = 0.5726-0.0419 0.4938 ( 378 PWs) bands (ev): 8.9176 8.9176 9.2183 9.2183 10.3592 10.3592 11.4293 11.4293 12.0668 12.0668 17.9798 17.9798 19.3472 19.3472 21.5327 21.5327 25.8385 25.8385 k = 0.5685-0.0396 0.5004 ( 378 PWs) bands (ev): 8.9259 8.9259 9.2370 9.2370 10.3271 10.3271 11.4196 11.4196 12.0784 12.0784 18.0351 18.0351 19.3851 19.3851 21.5465 21.5465 25.5697 25.5697 k = 0.5645-0.0372 0.5070 ( 378 PWs) bands (ev): 8.9340 8.9340 9.2572 9.2572 10.2941 10.2941 11.4095 11.4095 12.0900 12.0900 18.0941 18.0941 19.4246 19.4246 21.5613 21.5613 25.3017 25.3017 k = 0.5605-0.0349 0.5136 ( 378 PWs) bands (ev): 8.9419 8.9419 9.2786 9.2786 10.2603 10.2603 11.3994 11.3994 12.1012 12.1012 18.1570 18.1570 19.4655 19.4655 21.5769 21.5769 25.0354 25.0354 k = 0.5565-0.0326 0.5202 ( 378 PWs) bands (ev): 8.9497 8.9497 9.3018 9.3018 10.2256 10.2256 11.3891 11.3891 12.1120 12.1120 18.2235 18.2235 19.5074 19.5074 21.5934 21.5934 24.7719 24.7719 k = 0.5524-0.0303 0.5268 ( 378 PWs) bands (ev): 8.9572 8.9572 9.3264 9.3264 10.1905 10.1905 11.3788 11.3788 12.1224 12.1224 18.2938 18.2938 19.5499 19.5499 21.6104 21.6104 24.5121 24.5121 k = 0.5484-0.0279 0.5334 ( 378 PWs) bands (ev): 8.9644 8.9644 9.3523 9.3523 10.1548 10.1548 11.3686 11.3686 12.1323 12.1323 18.3676 18.3676 19.5923 19.5923 21.6279 21.6279 24.2571 24.2571 k = 0.5444-0.0256 0.5399 ( 375 PWs) bands (ev): 8.9714 8.9714 9.3796 9.3796 10.1189 10.1189 11.3588 11.3588 12.1416 12.1416 18.4450 18.4450 19.6338 19.6338 21.6457 21.6457 24.0082 24.0082 k = 0.5403-0.0233 0.5465 ( 375 PWs) bands (ev): 8.9778 8.9778 9.4078 9.4078 10.0829 10.0829 11.3491 11.3491 12.1502 12.1502 18.5258 18.5258 19.6736 19.6736 21.6632 21.6632 23.7670 23.7670 k = 0.5363-0.0210 0.5531 ( 375 PWs) bands (ev): 8.9838 8.9838 9.4371 9.4371 10.0467 10.0467 11.3400 11.3400 12.1581 12.1581 18.6101 18.6101 19.7105 19.7105 21.6801 21.6801 23.5354 23.5354 k = 0.5323-0.0186 0.5597 ( 375 PWs) bands (ev): 8.9893 8.9893 9.4672 9.4672 10.0107 10.0107 11.3313 11.3313 12.1652 12.1652 18.6977 18.6977 19.7429 19.7429 21.6955 21.6955 23.3159 23.3159 k = 0.5282-0.0163 0.5663 ( 375 PWs) bands (ev): 8.9943 8.9943 9.4980 9.4980 9.9747 9.9747 11.3234 11.3234 12.1715 12.1715 18.7886 18.7886 19.7688 19.7688 21.7083 21.7083 23.1117 23.1117 k = 0.5242-0.0140 0.5729 ( 375 PWs) bands (ev): 8.9988 8.9988 9.5294 9.5294 9.9391 9.9391 11.3162 11.3162 12.1770 12.1770 18.8827 18.8827 19.7859 19.7859 21.7173 21.7173 22.9267 22.9267 k = 0.5202-0.0116 0.5794 ( 375 PWs) bands (ev): 9.0027 9.0027 9.5611 9.5611 9.9039 9.9039 11.3099 11.3099 12.1817 12.1817 18.9799 18.9799 19.7911 19.7911 21.7208 21.7208 22.7658 22.7658 k = 0.5161-0.0093 0.5860 ( 375 PWs) bands (ev): 9.0059 9.0059 9.5931 9.5931 9.8692 9.8692 11.3046 11.3046 12.1856 12.1856 19.0800 19.0800 19.7810 19.7810 21.7175 21.7175 22.6339 22.6339 k = 0.5121-0.0070 0.5926 ( 376 PWs) bands (ev): 9.0084 9.0084 9.6248 9.6248 9.8355 9.8355 11.3002 11.3002 12.1886 12.1886 19.1828 19.1828 19.7523 19.7523 21.7074 21.7074 22.5347 22.5347 k = 0.5081-0.0047 0.5992 ( 380 PWs) bands (ev): 9.0101 9.0101 9.6552 9.6552 9.8032 9.8032 11.2971 11.2971 12.1906 12.1906 19.2877 19.2877 19.7020 19.7020 21.6933 21.6933 22.4689 22.4689 k = 0.5040-0.0023 0.6058 ( 380 PWs) bands (ev): 9.0112 9.0112 9.6827 9.6827 9.7749 9.7749 11.2951 11.2951 12.1919 12.1919 19.3921 19.3921 19.6305 19.6305 21.6804 21.6804 22.4336 22.4336 k = 0.5000 0.0000 0.6124 ( 380 PWs) bands (ev): 9.0116 9.0116 9.6968 9.6968 9.7606 9.7606 11.2945 11.2945 12.1924 12.1924 19.4647 19.4647 19.5688 19.5688 21.6750 21.6750 22.4231 22.4231 k = 0.5000 0.0000 0.6124 ( 380 PWs) bands (ev): 9.0116 9.0116 9.6968 9.6968 9.7606 9.7606 11.2945 11.2945 12.1924 12.1924 19.4647 19.4647 19.5688 19.5688 21.6750 21.6750 22.4231 22.4231 k = 0.5000 0.0047 0.6058 ( 380 PWs) bands (ev): 9.0123 9.0123 9.6964 9.6964 9.7603 9.7603 11.2945 11.2945 12.1915 12.1915 19.4538 19.4538 19.5576 19.5576 21.6922 21.6922 22.4343 22.4343 k = 0.5000 0.0093 0.5992 ( 380 PWs) bands (ev): 9.0142 9.0142 9.6953 9.6953 9.7595 9.7595 11.2945 11.2945 12.1889 12.1889 19.4200 19.4200 19.5270 19.5270 21.7426 21.7426 22.4673 22.4673 k = 0.5000 0.0140 0.5926 ( 380 PWs) bands (ev): 9.0174 9.0174 9.6929 9.6929 9.7585 9.7585 11.2946 11.2946 12.1847 12.1847 19.3607 19.3607 19.4841 19.4841 21.8223 21.8223 22.5214 22.5214 k = 0.5000 0.0186 0.5860 ( 374 PWs) bands (ev): 9.0224 9.0224 9.6889 9.6889 9.7586 9.7586 11.2946 11.2946 12.1789 12.1789 19.2769 19.2769 19.4340 19.4340 21.9266 21.9266 22.5952 22.5952 k = 0.5000 0.0233 0.5794 ( 372 PWs) bands (ev): 9.0284 9.0284 9.6822 9.6822 9.7596 9.7596 11.2944 11.2944 12.1716 12.1716 19.1734 19.1734 19.3783 19.3783 22.0509 22.0509 22.6869 22.6869 k = 0.5000 0.0279 0.5729 ( 372 PWs) bands (ev): 9.0354 9.0354 9.6725 9.6725 9.7623 9.7623 11.2940 11.2940 12.1628 12.1628 19.0553 19.0553 19.3175 19.3175 22.1910 22.1910 22.7949 22.7949 k = 0.5000 0.0326 0.5663 ( 372 PWs) bands (ev): 9.0437 9.0437 9.6599 9.6599 9.7668 9.7668 11.2933 11.2933 12.1527 12.1527 18.9268 18.9268 19.2523 19.2523 22.3438 22.3438 22.9175 22.9175 k = 0.5000 0.0372 0.5597 ( 372 PWs) bands (ev): 9.0532 9.0532 9.6443 9.6443 9.7730 9.7730 11.2921 11.2921 12.1414 12.1414 18.7909 18.7909 19.1837 19.1837 22.5067 22.5067 23.0531 23.0531 k = 0.5000 0.0419 0.5531 ( 370 PWs) bands (ev): 9.0641 9.0641 9.6264 9.6264 9.7808 9.7808 11.2903 11.2903 12.1292 12.1292 18.6497 18.6497 19.1127 19.1127 22.6779 22.6779 23.2003 23.2003 k = 0.5000 0.0466 0.5465 ( 370 PWs) bands (ev): 9.0762 9.0762 9.6058 9.6058 9.7900 9.7900 11.2878 11.2878 12.1162 12.1162 18.5048 18.5048 19.0402 19.0402 22.8559 22.8559 23.3579 23.3579 k = 0.5000 0.0512 0.5399 ( 370 PWs) bands (ev): 9.0895 9.0895 9.5830 9.5830 9.8005 9.8005 11.2844 11.2844 12.1026 12.1026 18.3574 18.3574 18.9672 18.9672 23.0399 23.0399 23.5248 23.5248 k = 0.5000 0.0559 0.5334 ( 372 PWs) bands (ev): 9.1040 9.1040 9.5581 9.5581 9.8121 9.8121 11.2798 11.2798 12.0886 12.0886 18.2082 18.2082 18.8943 18.8943 23.2288 23.2288 23.7002 23.7002 k = 0.5000 0.0605 0.5268 ( 372 PWs) bands (ev): 9.1198 9.1198 9.5313 9.5313 9.8250 9.8250 11.2740 11.2740 12.0745 12.0745 18.0579 18.0579 18.8220 18.8220 23.4222 23.4222 23.8832 23.8832 k = 0.5000 0.0652 0.5202 ( 372 PWs) bands (ev): 9.1368 9.1368 9.5028 9.5028 9.8389 9.8389 11.2669 11.2669 12.0605 12.0605 17.9071 17.9071 18.7509 18.7509 23.6196 23.6196 24.0732 24.0732 k = 0.5000 0.0698 0.5136 ( 374 PWs) bands (ev): 9.1546 9.1546 9.4726 9.4726 9.8538 9.8538 11.2582 11.2582 12.0468 12.0468 17.7561 17.7561 18.6814 18.6814 23.8205 23.8205 24.2697 24.2697 k = 0.5000 0.0745 0.5070 ( 374 PWs) bands (ev): 9.1739 9.1739 9.4410 9.4410 9.8697 9.8697 11.2478 11.2478 12.0337 12.0337 17.6052 17.6052 18.6137 18.6137 24.0248 24.0248 24.4721 24.4721 k = 0.5000 0.0792 0.5004 ( 370 PWs) bands (ev): 9.1942 9.1942 9.4082 9.4082 9.8868 9.8868 11.2359 11.2359 12.0214 12.0214 17.4546 17.4546 18.5480 18.5480 24.2323 24.2323 24.6800 24.6800 k = 0.5000 0.0838 0.4938 ( 370 PWs) bands (ev): 9.2149 9.2149 9.3747 9.3747 9.9046 9.9046 11.2220 11.2220 12.0099 12.0099 17.3046 17.3046 18.4845 18.4845 24.4427 24.4427 24.8931 24.8931 k = 0.5000 0.0885 0.4873 ( 370 PWs) bands (ev): 9.2352 9.2352 9.3415 9.3415 9.9233 9.9233 11.2062 11.2062 11.9994 11.9994 17.1552 17.1552 18.4234 18.4234 24.6558 24.6558 25.1111 25.1111 k = 0.5000 0.0931 0.4807 ( 370 PWs) bands (ev): 9.2499 9.2499 9.3140 9.3140 9.9429 9.9429 11.1885 11.1885 11.9900 11.9900 17.0066 17.0066 18.3647 18.3647 24.8716 24.8716 25.3336 25.3336 k = 0.5000 0.0978 0.4741 ( 370 PWs) bands (ev): 9.2410 9.2410 9.3101 9.3101 9.9633 9.9633 11.1691 11.1691 11.9818 11.9818 16.8590 16.8590 18.3084 18.3084 25.0899 25.0899 25.5605 25.5605 k = 0.5000 0.1024 0.4675 ( 370 PWs) bands (ev): 9.2097 9.2097 9.3288 9.3288 9.9844 9.9844 11.1479 11.1479 11.9748 11.9748 16.7124 16.7124 18.2547 18.2547 25.3106 25.3106 25.7915 25.7915 k = 0.5000 0.1071 0.4609 ( 370 PWs) bands (ev): 9.1721 9.1721 9.3540 9.3540 10.0064 10.0064 11.1251 11.1251 11.9691 11.9691 16.5668 16.5668 18.2034 18.2034 25.5338 25.5338 26.0263 26.0263 k = 0.5000 0.1117 0.4543 ( 370 PWs) bands (ev): 9.1322 9.1322 9.3819 9.3819 10.0291 10.0291 11.1008 11.1008 11.9644 11.9644 16.4223 16.4223 18.1546 18.1546 25.7592 25.7592 26.2649 26.2649 k = 0.5000 0.1164 0.4478 ( 370 PWs) bands (ev): 9.0910 9.0910 9.4113 9.4113 10.0526 10.0526 11.0752 11.0752 11.9609 11.9609 16.2791 16.2791 18.1082 18.1082 25.9868 25.9868 26.5070 26.5070 k = 0.5000 0.1211 0.4412 ( 374 PWs) bands (ev): 9.0490 9.0490 9.4418 9.4418 10.0767 10.0767 11.0484 11.0484 11.9583 11.9583 16.1370 16.1370 18.0642 18.0642 26.2166 26.2166 26.7524 26.7524 k = 0.5000 0.1257 0.4346 ( 374 PWs) bands (ev): 9.0064 9.0064 9.4736 9.4736 10.1017 10.1017 11.0208 11.0208 11.9567 11.9567 15.9962 15.9962 18.0225 18.0225 26.4486 26.4486 27.0010 27.0010 k = 0.5000 0.1304 0.4280 ( 374 PWs) bands (ev): 8.9633 8.9633 9.5064 9.5064 10.1274 10.1274 10.9926 10.9926 11.9560 11.9560 15.8567 15.8567 17.9830 17.9830 26.6826 26.6826 27.2527 27.2527 k = 0.5000 0.1350 0.4214 ( 372 PWs) bands (ev): 8.9201 8.9201 9.5402 9.5402 10.1542 10.1542 10.9639 10.9639 11.9560 11.9560 15.7185 15.7185 17.9457 17.9457 26.9187 26.9187 27.5073 27.5073 k = 0.5000 0.1397 0.4148 ( 370 PWs) bands (ev): 8.8765 8.8765 9.5748 9.5748 10.1815 10.1815 10.9350 10.9350 11.9567 11.9567 15.5816 15.5816 17.9106 17.9106 27.1567 27.1567 27.7647 27.7647 k = 0.5000 0.1443 0.4082 ( 370 PWs) bands (ev): 8.8329 8.8329 9.6099 9.6099 10.2096 10.2096 10.9058 10.9058 11.9579 11.9579 15.4461 15.4461 17.8774 17.8774 27.3967 27.3967 28.0247 28.0247 k = 0.5000 0.1490 0.4017 ( 370 PWs) bands (ev): 8.7893 8.7893 9.6456 9.6456 10.2385 10.2385 10.8767 10.8767 11.9596 11.9596 15.3119 15.3119 17.8462 17.8462 27.6385 27.6385 28.2872 28.2872 k = 0.5000 0.1536 0.3951 ( 370 PWs) bands (ev): 8.7459 8.7459 9.6818 9.6818 10.2683 10.2683 10.8478 10.8478 11.9617 11.9617 15.1792 15.1792 17.8169 17.8169 27.8822 27.8822 28.5520 28.5520 k = 0.5000 0.1583 0.3885 ( 370 PWs) bands (ev): 8.7028 8.7028 9.7183 9.7183 10.2990 10.2990 10.8193 10.8193 11.9641 11.9641 15.0478 15.0478 17.7894 17.7894 28.1276 28.1276 28.8191 28.8191 k = 0.5000 0.1630 0.3819 ( 370 PWs) bands (ev): 8.6601 8.6601 9.7549 9.7549 10.3305 10.3305 10.7915 10.7915 11.9668 11.9668 14.9178 14.9178 17.7635 17.7635 28.3747 28.3747 29.0882 29.0882 k = 0.5000 0.1676 0.3753 ( 370 PWs) bands (ev): 8.6178 8.6178 9.7914 9.7914 10.3631 10.3631 10.7645 10.7645 11.9697 11.9697 14.7893 14.7893 17.7393 17.7393 28.6234 28.6234 29.3592 29.3592 k = 0.5000 0.1723 0.3687 ( 374 PWs) bands (ev): 8.5761 8.5761 9.8277 9.8277 10.3963 10.3963 10.7386 10.7386 11.9723 11.9723 14.6622 14.6622 17.7167 17.7167 28.8736 28.8736 29.6319 29.6319 k = 0.5000 0.1769 0.3622 ( 372 PWs) bands (ev): 8.5352 8.5352 9.8636 9.8636 10.4305 10.4305 10.7145 10.7145 11.9755 11.9755 14.5366 14.5366 17.6955 17.6955 29.1252 29.1252 29.9062 29.9062 k = 0.5000 0.1816 0.3556 ( 372 PWs) bands (ev): 8.4951 8.4951 9.8990 9.8990 10.4644 10.4644 10.6928 10.6928 11.9787 11.9787 14.4124 14.4124 17.6757 17.6757 29.3782 29.3782 30.1819 30.1819 k = 0.5000 0.1862 0.3490 ( 372 PWs) bands (ev): 8.4560 8.4560 9.9335 9.9335 10.4967 10.4967 10.6754 10.6754 11.9820 11.9820 14.2896 14.2896 17.6573 17.6573 29.6323 29.6323 30.4587 30.4587 k = 0.5000 0.1909 0.3424 ( 374 PWs) bands (ev): 8.4178 8.4178 9.9667 9.9667 10.5237 10.5237 10.6661 10.6661 11.9852 11.9852 14.1683 14.1683 17.6401 17.6401 29.8873 29.8873 30.7365 30.7365 k = 0.5000 0.1956 0.3358 ( 374 PWs) bands (ev): 8.3807 8.3807 9.9989 9.9989 10.5391 10.5391 10.6716 10.6716 11.9884 11.9884 14.0486 14.0486 17.6242 17.6242 30.1432 30.1432 31.0151 31.0151 k = 0.5000 0.2002 0.3292 ( 372 PWs) bands (ev): 8.3449 8.3449 10.0297 10.0297 10.5398 10.5398 10.6954 10.6954 11.9916 11.9916 13.9303 13.9303 17.6094 17.6094 30.3996 30.3996 31.2941 31.2941 k = 0.5000 0.2049 0.3226 ( 372 PWs) bands (ev): 8.3104 8.3104 10.0590 10.0590 10.5306 10.5306 10.7322 10.7322 11.9947 11.9947 13.8134 13.8134 17.5957 17.5957 30.6563 30.6563 31.5733 31.5733 k = 0.5000 0.2095 0.3161 ( 366 PWs) bands (ev): 8.2774 8.2774 10.0867 10.0867 10.5176 10.5176 10.7769 10.7769 11.9980 11.9980 13.6981 13.6981 17.5830 17.5830 30.9129 30.9129 31.8523 31.8523 k = 0.5000 0.2142 0.3095 ( 366 PWs) bands (ev): 8.2457 8.2457 10.1124 10.1124 10.5030 10.5030 10.8264 10.8264 12.0009 12.0009 13.5843 13.5843 17.5713 17.5713 31.1688 31.1688 32.1307 32.1307 k = 0.5000 0.2188 0.3029 ( 366 PWs) bands (ev): 8.2155 8.2155 10.1360 10.1360 10.4886 10.4886 10.8796 10.8796 12.0036 12.0036 13.4721 13.4721 17.5605 17.5605 31.4235 31.4235 32.4080 32.4080 k = 0.5000 0.2235 0.2963 ( 366 PWs) bands (ev): 8.1869 8.1869 10.1575 10.1575 10.4749 10.4749 10.9360 10.9360 12.0063 12.0063 13.3613 13.3613 17.5507 17.5507 31.6763 31.6763 32.6836 32.6836 k = 0.5000 0.2281 0.2897 ( 368 PWs) bands (ev): 8.1599 8.1599 10.1767 10.1767 10.4623 10.4623 10.9951 10.9951 12.0086 12.0086 13.2521 13.2521 17.5417 17.5417 31.9260 31.9260 32.9570 32.9570 k = 0.5000 0.2328 0.2831 ( 368 PWs) bands (ev): 8.1348 8.1348 10.1938 10.1938 10.4512 10.4512 11.0569 11.0569 12.0109 12.0109 13.1444 13.1444 17.5335 17.5335 32.1716 32.1716 33.2273 33.2273 k = 0.5000 0.2375 0.2766 ( 366 PWs) bands (ev): 8.1115 8.1115 10.2088 10.2088 10.4416 10.4416 11.1212 11.1212 12.0130 12.0130 13.0384 13.0384 17.5261 17.5261 32.4114 32.4114 33.4935 33.4935 k = 0.5000 0.2421 0.2700 ( 366 PWs) bands (ev): 8.0900 8.0900 10.2212 10.2212 10.4338 10.4338 11.1877 11.1877 12.0150 12.0150 12.9339 12.9339 17.5194 17.5194 32.6432 32.6432 33.7544 33.7544 k = 0.5000 0.2468 0.2634 ( 370 PWs) bands (ev): 8.0703 8.0703 10.2312 10.2312 10.4275 10.4275 11.2563 11.2563 12.0166 12.0166 12.8309 12.8309 17.5135 17.5135 32.8643 32.8643 34.0083 34.0083 k = 0.5000 0.2514 0.2568 ( 368 PWs) bands (ev): 8.0526 8.0526 10.2391 10.2391 10.4232 10.4232 11.3273 11.3273 12.0182 12.0182 12.7298 12.7298 17.5083 17.5083 33.0714 33.0714 34.2531 34.2531 k = 0.5000 0.2561 0.2502 ( 368 PWs) bands (ev): 8.0370 8.0370 10.2449 10.2449 10.4202 10.4202 11.4003 11.4003 12.0195 12.0195 12.6303 12.6303 17.5037 17.5037 33.2606 33.2606 34.4859 34.4859 k = 0.5000 0.2607 0.2436 ( 368 PWs) bands (ev): 8.0234 8.0234 10.2491 10.2491 10.4186 10.4186 11.4750 11.4750 12.0206 12.0206 12.5326 12.5326 17.4998 17.4998 33.4278 33.4278 34.7026 34.7026 k = 0.5000 0.2654 0.2370 ( 368 PWs) bands (ev): 8.0118 8.0118 10.2518 10.2518 10.4179 10.4179 11.5517 11.5517 12.0214 12.0214 12.4368 12.4368 17.4965 17.4965 33.5693 33.5693 34.8977 34.8977 k = 0.5000 0.2701 0.2305 ( 368 PWs) bands (ev): 8.0022 8.0022 10.2535 10.2535 10.4178 10.4178 11.6300 11.6300 12.0217 12.0217 12.3433 12.3433 17.4938 17.4938 33.6829 33.6829 35.0644 35.0644 k = 0.5000 0.2747 0.2239 ( 368 PWs) bands (ev): 7.9948 7.9948 10.2545 10.2545 10.4181 10.4181 11.7096 11.7096 12.0212 12.0212 12.2526 12.2526 17.4918 17.4918 33.7683 33.7683 35.1972 35.1972 k = 0.5000 0.2794 0.2173 ( 368 PWs) bands (ev): 7.9895 7.9895 10.2550 10.2550 10.4185 10.4185 11.7896 11.7896 12.0185 12.0185 12.1670 12.1670 17.4903 17.4903 33.8269 33.8269 35.2943 35.2943 k = 0.5000 0.2840 0.2107 ( 368 PWs) bands (ev): 7.9863 7.9863 10.2552 10.2552 10.4188 10.4188 11.8674 11.8674 12.0070 12.0070 12.0958 12.0958 17.4894 17.4894 33.8608 33.8608 35.3545 35.3545 k = 0.5000 0.2887 0.2041 ( 368 PWs) bands (ev): 7.9852 7.9852 10.2553 10.2553 10.4189 10.4189 11.9188 11.9188 11.9815 11.9815 12.0682 12.0682 17.4891 17.4891 33.8719 33.8719 35.3751 35.3751 k = 0.5000 0.2887 0.2041 ( 368 PWs) bands (ev): 7.9852 7.9852 10.2553 10.2553 10.4189 10.4189 11.9188 11.9188 11.9815 11.9815 12.0682 12.0682 17.4891 17.4891 33.8719 33.8719 35.3751 35.3751 k = 0.4977 0.2873 0.2117 ( 368 PWs) bands (ev): 7.9862 7.9862 10.2552 10.2552 10.4188 10.4188 11.8678 11.8678 12.0068 12.0068 12.0955 12.0955 17.4894 17.4894 33.8609 33.8609 35.3548 35.3548 k = 0.4954 0.2860 0.2192 ( 368 PWs) bands (ev): 7.9894 7.9894 10.2550 10.2550 10.4185 10.4185 11.7905 11.7905 12.0185 12.0185 12.1661 12.1661 17.4903 17.4903 33.8274 33.8274 35.2958 35.2958 k = 0.4931 0.2847 0.2268 ( 368 PWs) bands (ev): 7.9947 7.9947 10.2545 10.2545 10.4181 10.4181 11.7109 11.7109 12.0212 12.0212 12.2511 12.2511 17.4917 17.4917 33.7692 33.7692 35.2047 35.2047 k = 0.4907 0.2833 0.2344 ( 368 PWs) bands (ev): 8.0020 8.0020 10.2536 10.2536 10.4178 10.4178 11.6318 11.6318 12.0217 12.0217 12.3412 12.3412 17.4938 17.4938 33.6835 33.6835 35.0921 35.0921 k = 0.4884 0.2820 0.2419 ( 368 PWs) bands (ev): 8.0115 8.0115 10.2519 10.2519 10.4179 10.4179 11.5539 11.5539 12.0214 12.0214 12.4341 12.4341 17.4964 17.4964 33.5672 33.5672 34.9700 34.9700 k = 0.4861 0.2807 0.2495 ( 368 PWs) bands (ev): 8.0230 8.0230 10.2492 10.2492 10.4186 10.4186 11.4776 11.4776 12.0206 12.0206 12.5293 12.5293 17.4997 17.4997 33.4186 33.4186 34.8481 34.8481 k = 0.4838 0.2793 0.2570 ( 366 PWs) bands (ev): 8.0365 8.0365 10.2453 10.2453 10.4203 10.4203 11.4033 11.4033 12.0196 12.0196 12.6264 12.6264 17.5035 17.5035 33.2381 33.2381 34.7311 34.7311 k = 0.4815 0.2780 0.2646 ( 368 PWs) bands (ev): 8.0519 8.0519 10.2394 10.2394 10.4230 10.4230 11.3306 11.3306 12.0183 12.0183 12.7252 12.7252 17.5080 17.5080 33.0285 33.0285 34.6169 34.6169 k = 0.4792 0.2766 0.2722 ( 370 PWs) bands (ev): 8.0692 8.0692 10.2316 10.2316 10.4271 10.4271 11.2600 11.2600 12.0167 12.0167 12.8257 12.8257 17.5132 17.5132 32.7945 32.7945 34.4966 34.4966 k = 0.4769 0.2753 0.2797 ( 366 PWs) bands (ev): 8.0887 8.0887 10.2219 10.2219 10.4331 10.4331 11.1917 11.1917 12.0152 12.0152 12.9280 12.9280 17.5191 17.5191 32.5407 32.5407 34.3614 34.3614 k = 0.4745 0.2740 0.2873 ( 370 PWs) bands (ev): 8.1100 8.1100 10.2097 10.2097 10.4406 10.4406 11.1252 11.1252 12.0132 12.0132 13.0316 13.0316 17.5256 17.5256 32.2716 32.2716 34.2117 34.2117 k = 0.4722 0.2726 0.2948 ( 368 PWs) bands (ev): 8.1331 8.1331 10.1954 10.1954 10.4499 10.4499 11.0614 11.0614 12.0111 12.0111 13.1370 13.1370 17.5329 17.5329 31.9909 31.9909 34.0532 34.0532 k = 0.4699 0.2713 0.3024 ( 368 PWs) bands (ev): 8.1579 8.1579 10.1787 10.1787 10.4607 10.4607 10.9999 10.9999 12.0089 12.0089 13.2439 13.2439 17.5410 17.5410 31.7013 31.7013 33.8898 33.8898 k = 0.4676 0.2700 0.3100 ( 368 PWs) bands (ev): 8.1845 8.1845 10.1598 10.1598 10.4729 10.4729 10.9411 10.9411 12.0065 12.0065 13.3522 13.3522 17.5498 17.5498 31.4051 31.4051 33.7239 33.7239 k = 0.4653 0.2686 0.3175 ( 368 PWs) bands (ev): 8.2126 8.2126 10.1388 10.1388 10.4862 10.4862 10.8851 10.8851 12.0039 12.0039 13.4621 13.4621 17.5595 17.5595 31.1040 31.1040 33.5566 33.5566 k = 0.4630 0.2673 0.3251 ( 368 PWs) bands (ev): 8.2423 8.2423 10.1156 10.1156 10.5003 10.5003 10.8322 10.8322 12.0012 12.0012 13.5735 13.5735 17.5700 17.5700 30.7994 30.7994 33.3889 33.3889 k = 0.4606 0.2660 0.3326 ( 368 PWs) bands (ev): 8.2734 8.2734 10.0905 10.0905 10.5147 10.5147 10.7830 10.7830 11.9983 11.9983 13.6863 13.6863 17.5814 17.5814 30.4921 30.4921 33.2212 33.2212 k = 0.4583 0.2646 0.3402 ( 368 PWs) bands (ev): 8.3059 8.3059 10.0635 10.0635 10.5282 10.5282 10.7385 10.7385 11.9954 11.9954 13.8006 13.8006 17.5938 17.5938 30.1831 30.1831 33.0540 33.0540 k = 0.4560 0.2633 0.3478 ( 368 PWs) bands (ev): 8.3397 8.3397 10.0348 10.0348 10.5387 10.5387 10.7008 10.7008 11.9923 11.9923 13.9164 13.9164 17.6071 17.6071 29.8730 29.8730 32.8875 32.8875 k = 0.4537 0.2619 0.3553 ( 367 PWs) bands (ev): 8.3745 8.3745 10.0045 10.0045 10.5416 10.5416 10.6744 10.6744 11.9891 11.9891 14.0336 14.0336 17.6214 17.6214 29.5625 29.5625 32.7220 32.7220 k = 0.4514 0.2606 0.3629 ( 367 PWs) bands (ev): 8.4104 8.4104 9.9726 9.9726 10.5315 10.5315 10.6646 10.6646 11.9858 11.9858 14.1522 14.1522 17.6368 17.6368 29.2518 29.2518 32.5577 32.5577 k = 0.4491 0.2593 0.3704 ( 370 PWs) bands (ev): 8.4471 8.4471 9.9393 9.9393 10.5092 10.5092 10.6701 10.6701 11.9825 11.9825 14.2721 14.2721 17.6533 17.6533 28.9414 28.9414 32.3947 32.3947 k = 0.4468 0.2579 0.3780 ( 368 PWs) bands (ev): 8.4846 8.4846 9.9050 9.9050 10.4812 10.4812 10.6853 10.6853 11.9793 11.9793 14.3935 14.3935 17.6709 17.6709 28.6316 28.6316 32.2332 32.2332 k = 0.4444 0.2566 0.3856 ( 368 PWs) bands (ev): 8.5226 8.5226 9.8696 9.8696 10.4516 10.4516 10.7053 10.7053 11.9758 11.9758 14.5162 14.5162 17.6897 17.6897 28.3228 28.3228 32.0734 32.0734 k = 0.4421 0.2553 0.3931 ( 370 PWs) bands (ev): 8.5609 8.5609 9.8335 9.8335 10.4224 10.4224 10.7280 10.7280 11.9721 11.9721 14.6403 14.6403 17.7096 17.7096 28.0153 28.0153 31.9152 31.9152 k = 0.4398 0.2539 0.4007 ( 370 PWs) bands (ev): 8.5995 8.5995 9.7969 9.7969 10.3945 10.3945 10.7527 10.7527 11.9686 11.9686 14.7657 14.7657 17.7308 17.7308 27.7092 27.7092 31.7588 31.7588 k = 0.4375 0.2526 0.4082 ( 370 PWs) bands (ev): 8.6380 8.6380 9.7599 9.7599 10.3683 10.3683 10.7788 10.7788 11.9650 11.9650 14.8924 14.8924 17.7533 17.7533 27.4048 27.4048 31.6044 31.6044 k = 0.4352 0.2513 0.4158 ( 370 PWs) bands (ev): 8.6763 8.6763 9.7227 9.7227 10.3440 10.3440 10.8059 10.8059 11.9614 11.9614 15.0203 15.0203 17.7771 17.7771 27.1024 27.1024 31.4519 31.4519 k = 0.4329 0.2499 0.4234 ( 370 PWs) bands (ev): 8.7140 8.7140 9.6856 9.6856 10.3219 10.3219 10.8339 10.8339 11.9578 11.9578 15.1496 15.1496 17.8022 17.8022 26.8021 26.8021 31.3016 31.3016 k = 0.4306 0.2486 0.4309 ( 370 PWs) bands (ev): 8.7510 8.7510 9.6486 9.6486 10.3019 10.3019 10.8626 10.8626 11.9543 11.9543 15.2800 15.2800 17.8286 17.8286 26.5042 26.5042 31.1533 31.1533 k = 0.4282 0.2472 0.4385 ( 370 PWs) bands (ev): 8.7869 8.7869 9.6120 9.6120 10.2843 10.2843 10.8919 10.8919 11.9508 11.9508 15.4116 15.4116 17.8564 17.8564 26.2089 26.2089 31.0073 31.0073 k = 0.4259 0.2459 0.4460 ( 370 PWs) bands (ev): 8.8214 8.8214 9.5758 9.5758 10.2693 10.2693 10.9217 10.9217 11.9474 11.9474 15.5444 15.5444 17.8855 17.8855 25.9165 25.9165 30.8635 30.8635 k = 0.4236 0.2446 0.4536 ( 369 PWs) bands (ev): 8.8542 8.8542 9.5402 9.5402 10.2570 10.2570 10.9518 10.9518 11.9441 11.9441 15.6782 15.6782 17.9159 17.9159 25.6273 25.6273 30.7221 30.7221 k = 0.4213 0.2432 0.4612 ( 369 PWs) bands (ev): 8.8850 8.8850 9.5054 9.5054 10.2474 10.2474 10.9823 10.9823 11.9409 11.9409 15.8131 15.8131 17.9475 17.9475 25.3415 25.3415 30.5831 30.5831 k = 0.4190 0.2419 0.4687 ( 369 PWs) bands (ev): 8.9134 8.9134 9.4714 9.4714 10.2406 10.2406 11.0130 11.0130 11.9378 11.9378 15.9488 15.9488 17.9804 17.9804 25.0593 25.0593 30.4466 30.4466 k = 0.4167 0.2406 0.4763 ( 371 PWs) bands (ev): 8.9391 8.9391 9.4382 9.4382 10.2369 10.2369 11.0438 11.0438 11.9349 11.9349 16.0855 16.0855 18.0144 18.0144 24.7813 24.7813 30.3126 30.3126 k = 0.4144 0.2392 0.4838 ( 367 PWs) bands (ev): 8.9620 8.9620 9.4067 9.4067 10.2365 10.2365 11.0749 11.0749 11.9323 11.9323 16.2228 16.2228 18.0494 18.0494 24.5078 24.5078 30.1813 30.1813 k = 0.4120 0.2379 0.4914 ( 367 PWs) bands (ev): 8.9814 8.9814 9.3761 9.3761 10.2392 10.2392 11.1057 11.1057 11.9299 11.9299 16.3607 16.3607 18.0852 18.0852 24.2392 24.2392 30.0526 30.0526 k = 0.4097 0.2366 0.4990 ( 365 PWs) bands (ev): 8.9972 8.9972 9.3470 9.3470 10.2453 10.2453 11.1365 11.1365 11.9280 11.9280 16.4990 16.4990 18.1218 18.1218 23.9761 23.9761 29.9267 29.9267 k = 0.4074 0.2352 0.5065 ( 365 PWs) bands (ev): 9.0091 9.0091 9.3196 9.3196 10.2545 10.2545 11.1668 11.1668 11.9262 11.9262 16.6373 16.6373 18.1590 18.1590 23.7191 23.7191 29.8035 29.8035 k = 0.4051 0.2339 0.5141 ( 365 PWs) bands (ev): 9.0170 9.0170 9.2939 9.2939 10.2669 10.2669 11.1968 11.1968 11.9248 11.9248 16.7753 16.7753 18.1964 18.1964 23.4690 23.4690 29.6832 29.6832 k = 0.4028 0.2325 0.5217 ( 367 PWs) bands (ev): 9.0207 9.0207 9.2704 9.2704 10.2822 10.2822 11.2260 11.2260 11.9239 11.9239 16.9125 16.9125 18.2341 18.2341 23.2266 23.2266 29.5658 29.5658 k = 0.4005 0.2312 0.5292 ( 367 PWs) bands (ev): 9.0202 9.0202 9.2490 9.2490 10.3003 10.3003 11.2549 11.2549 11.9234 11.9234 17.0480 17.0480 18.2718 18.2718 22.9930 22.9930 29.4514 29.4514 k = 0.3981 0.2299 0.5368 ( 367 PWs) bands (ev): 9.0157 9.0157 9.2300 9.2300 10.3209 10.3209 11.2831 11.2831 11.9235 11.9235 17.1808 17.1808 18.3097 18.3097 22.7693 22.7693 29.3400 29.3400 k = 0.3958 0.2285 0.5443 ( 370 PWs) bands (ev): 9.0073 9.0073 9.2130 9.2130 10.3434 10.3434 11.3104 11.3104 11.9241 11.9241 17.3092 17.3092 18.3482 18.3482 22.5569 22.5569 29.2318 29.2318 k = 0.3935 0.2272 0.5519 ( 372 PWs) bands (ev): 8.9956 8.9956 9.1979 9.1979 10.3681 10.3681 11.3368 11.3368 11.9252 11.9252 17.4307 17.4307 18.3882 18.3882 22.3576 22.3576 29.1268 29.1268 k = 0.3912 0.2259 0.5595 ( 372 PWs) bands (ev): 8.9813 8.9813 9.1844 9.1844 10.3943 10.3943 11.3621 11.3621 11.9273 11.9273 17.5415 17.5415 18.4320 18.4320 22.1729 22.1729 29.0250 29.0250 k = 0.3889 0.2245 0.5670 ( 372 PWs) bands (ev): 8.9650 8.9650 9.1721 9.1721 10.4218 10.4218 11.3861 11.3861 11.9301 11.9301 17.6366 17.6366 18.4827 18.4827 22.0050 22.0050 28.9266 28.9266 k = 0.3866 0.2232 0.5746 ( 372 PWs) bands (ev): 8.9471 8.9471 9.1606 9.1606 10.4503 10.4503 11.4089 11.4089 11.9338 11.9338 17.7097 17.7097 18.5447 18.5447 21.8558 21.8558 28.8315 28.8315 k = 0.3843 0.2219 0.5821 ( 370 PWs) bands (ev): 8.9283 8.9283 9.1497 9.1497 10.4793 10.4793 11.4304 11.4304 11.9384 11.9384 17.7549 17.7549 18.6222 18.6222 21.7273 21.7273 28.7400 28.7400 k = 0.3819 0.2205 0.5897 ( 371 PWs) bands (ev): 8.9086 8.9086 9.1391 9.1391 10.5087 10.5087 11.4502 11.4502 11.9438 11.9438 17.7686 17.7686 18.7171 18.7171 21.6212 21.6212 28.6519 28.6519 k = 0.3796 0.2192 0.5973 ( 371 PWs) bands (ev): 8.8887 8.8887 9.1289 9.1289 10.5381 10.5381 11.4684 11.4684 11.9502 11.9502 17.7504 17.7504 18.8288 18.8288 21.5386 21.5386 28.5674 28.5674 k = 0.3773 0.2178 0.6048 ( 371 PWs) bands (ev): 8.8686 8.8686 9.1190 9.1190 10.5673 10.5673 11.4849 11.4849 11.9574 11.9574 17.7027 17.7027 18.9544 18.9544 21.4801 21.4801 28.4866 28.4866 k = 0.3750 0.2165 0.6124 ( 371 PWs) bands (ev): 8.8485 8.8485 9.1093 9.1093 10.5962 10.5962 11.4998 11.4998 11.9654 11.9654 17.6286 17.6286 19.0911 19.0911 21.4456 21.4456 28.4095 28.4095 k = 0.6250-0.0722 0.4082 ( 371 PWs) bands (ev): 8.8485 8.8485 9.1093 9.1093 10.5962 10.5962 11.4998 11.4998 11.9654 11.9654 17.6286 17.6286 19.0911 19.0911 21.4456 21.4456 28.4095 28.4095 k = 0.6210-0.0792 0.4082 ( 371 PWs) bands (ev): 8.8137 8.8137 9.0924 9.0924 10.6467 10.6467 11.5243 11.5243 11.9799 11.9799 17.4795 17.4795 19.3377 19.3377 21.4080 21.4080 28.2801 28.2801 k = 0.6169-0.0861 0.4082 ( 371 PWs) bands (ev): 8.7790 8.7790 9.0751 9.0751 10.6985 10.6985 11.5488 11.5488 11.9940 11.9940 17.3323 17.3323 19.5848 19.5848 21.3748 21.3748 28.1541 28.1541 k = 0.6129-0.0931 0.4082 ( 371 PWs) bands (ev): 8.7447 8.7447 9.0575 9.0575 10.7516 10.7516 11.5733 11.5733 12.0078 12.0078 17.1870 17.1870 19.8311 19.8311 21.3471 21.3471 28.0315 28.0315 k = 0.6089-0.1001 0.4082 ( 369 PWs) bands (ev): 8.7108 8.7108 9.0400 9.0400 10.8060 10.8060 11.5976 11.5976 12.0211 12.0211 17.0436 17.0436 20.0742 20.0742 21.3271 21.3271 27.9125 27.9125 k = 0.6048-0.1071 0.4082 ( 369 PWs) bands (ev): 8.6774 8.6774 9.0221 9.0221 10.8616 10.8616 11.6217 11.6217 12.0339 12.0339 16.9023 16.9023 20.3096 20.3096 21.3190 21.3190 27.7971 27.7971 k = 0.6008-0.1141 0.4082 ( 369 PWs) bands (ev): 8.6445 8.6445 9.0041 9.0041 10.9183 10.9183 11.6455 11.6455 12.0464 12.0464 16.7629 16.7629 20.5282 20.5282 21.3317 21.3317 27.6853 27.6853 k = 0.5968-0.1211 0.4082 ( 369 PWs) bands (ev): 8.6123 8.6123 8.9862 8.9862 10.9760 10.9760 11.6691 11.6691 12.0585 12.0585 16.6257 16.6257 20.7118 20.7118 21.3830 21.3830 27.5772 27.5772 k = 0.5927-0.1280 0.4082 ( 369 PWs) bands (ev): 8.5808 8.5808 8.9685 8.9685 11.0348 11.0348 11.6923 11.6923 12.0701 12.0701 16.4907 16.4907 20.8375 20.8375 21.4956 21.4956 27.4729 27.4729 k = 0.5887-0.1350 0.4082 ( 369 PWs) bands (ev): 8.5501 8.5501 8.9510 8.9510 11.0945 11.0945 11.7151 11.7151 12.0813 12.0813 16.3579 16.3579 20.9023 20.9023 21.6722 21.6722 27.3725 27.3725 k = 0.5847-0.1420 0.4082 ( 365 PWs) bands (ev): 8.5203 8.5203 8.9345 8.9345 11.1551 11.1551 11.7375 11.7375 12.0921 12.0921 16.2275 16.2275 20.9276 20.9276 21.8912 21.8912 27.2760 27.2760 k = 0.5806-0.1490 0.4082 ( 365 PWs) bands (ev): 8.4913 8.4913 8.9177 8.9177 11.2164 11.2164 11.7592 11.7592 12.1025 12.1025 16.0996 16.0996 20.9329 20.9329 22.1326 22.1326 27.1834 27.1834 k = 0.5766-0.1560 0.4082 ( 365 PWs) bands (ev): 8.4633 8.4633 8.9014 8.9014 11.2782 11.2782 11.7804 11.7804 12.1125 12.1125 15.9742 15.9742 20.9287 20.9287 22.3855 22.3855 27.0949 27.0949 k = 0.5726-0.1630 0.4082 ( 365 PWs) bands (ev): 8.4362 8.4362 8.8855 8.8855 11.3405 11.3405 11.8010 11.8010 12.1221 12.1221 15.8515 15.8515 20.9199 20.9199 22.6448 22.6448 27.0105 27.0105 k = 0.5685-0.1699 0.4082 ( 365 PWs) bands (ev): 8.4103 8.4103 8.8703 8.8703 11.4031 11.4031 11.8208 11.8208 12.1313 12.1313 15.7317 15.7317 20.9089 20.9089 22.9073 22.9073 26.9303 26.9303 k = 0.5645-0.1769 0.4082 ( 365 PWs) bands (ev): 8.3856 8.3856 8.8557 8.8557 11.4656 11.4656 11.8400 11.8400 12.1401 12.1401 15.6149 15.6149 20.8970 20.8970 23.1714 23.1714 26.8543 26.8543 k = 0.5605-0.1839 0.4082 ( 365 PWs) bands (ev): 8.3620 8.3620 8.8417 8.8417 11.5280 11.5280 11.8584 11.8584 12.1485 12.1485 15.5014 15.5014 20.8848 20.8848 23.4356 23.4356 26.7826 26.7826 k = 0.5565-0.1909 0.4082 ( 365 PWs) bands (ev): 8.3397 8.3397 8.8285 8.8285 11.5898 11.5898 11.8761 11.8761 12.1566 12.1566 15.3914 15.3914 20.8729 20.8729 23.6989 23.6989 26.7153 26.7153 k = 0.5524-0.1979 0.4082 ( 365 PWs) bands (ev): 8.3186 8.3186 8.8160 8.8160 11.6506 11.6506 11.8930 11.8930 12.1643 12.1643 15.2852 15.2852 20.8615 20.8615 23.9600 23.9600 26.6525 26.6525 k = 0.5484-0.2049 0.4082 ( 365 PWs) bands (ev): 8.2990 8.2990 8.8044 8.8044 11.7100 11.7100 11.9094 11.9094 12.1717 12.1717 15.1832 15.1832 20.8507 20.8507 24.2178 24.2178 26.5941 26.5941 k = 0.5444-0.2119 0.4082 ( 361 PWs) bands (ev): 8.2807 8.2807 8.7938 8.7938 11.7672 11.7672 11.9254 11.9254 12.1794 12.1794 15.0856 15.0856 20.8407 20.8407 24.4710 24.4710 26.5404 26.5404 k = 0.5403-0.2188 0.4082 ( 361 PWs) bands (ev): 8.2639 8.2639 8.7838 8.7838 11.8210 11.8210 11.9416 11.9416 12.1865 12.1865 14.9931 14.9931 20.8314 20.8314 24.7178 24.7178 26.4914 26.4914 k = 0.5363-0.2258 0.4082 ( 365 PWs) bands (ev): 8.2485 8.2485 8.7745 8.7745 11.8692 11.8692 11.9592 11.9592 12.1933 12.1933 14.9060 14.9060 20.8230 20.8230 24.9564 24.9564 26.4472 26.4472 k = 0.5323-0.2328 0.4082 ( 365 PWs) bands (ev): 8.2346 8.2346 8.7663 8.7663 11.9084 11.9084 11.9815 11.9815 12.2005 12.2005 14.8250 14.8250 20.8154 20.8154 25.1846 25.1846 26.4079 26.4079 k = 0.5282-0.2398 0.4082 ( 365 PWs) bands (ev): 8.2224 8.2224 8.7590 8.7590 11.9353 11.9353 12.0103 12.0103 12.2082 12.2082 14.7508 14.7508 20.8087 20.8087 25.3994 25.3994 26.3738 26.3738 k = 0.5242-0.2468 0.4082 ( 365 PWs) bands (ev): 8.2117 8.2117 8.7526 8.7526 11.9524 11.9524 12.0424 12.0424 12.2165 12.2165 14.6840 14.6840 20.8030 20.8030 25.5974 25.5974 26.3453 26.3453 k = 0.5202-0.2538 0.4082 ( 365 PWs) bands (ev): 8.2026 8.2026 8.7472 8.7472 11.9638 11.9638 12.0724 12.0724 12.2256 12.2256 14.6256 14.6256 20.7981 20.7981 25.7742 25.7742 26.3231 26.3231 k = 0.5161-0.2607 0.4082 ( 369 PWs) bands (ev): 8.1950 8.1950 8.7426 8.7426 11.9718 11.9718 12.0970 12.0970 12.2355 12.2355 14.5763 14.5763 20.7940 20.7940 25.9242 25.9242 26.3087 26.3087 k = 0.5121-0.2677 0.4082 ( 367 PWs) bands (ev): 8.1893 8.1893 8.7392 8.7392 11.9779 11.9779 12.1155 12.1155 12.2456 12.2456 14.5369 14.5369 20.7909 20.7909 26.0401 26.0401 26.3049 26.3049 k = 0.5081-0.2747 0.4082 ( 360 PWs) bands (ev): 8.1854 8.1854 8.7372 8.7372 11.9823 11.9823 12.1281 12.1281 12.2546 12.2546 14.5082 14.5082 20.7887 20.7887 26.1147 26.1147 26.3144 26.3144 k = 0.5040-0.2817 0.4082 ( 360 PWs) bands (ev): 8.1828 8.1828 8.7357 8.7357 11.9846 11.9846 12.1351 12.1351 12.2607 12.2607 14.4907 14.4907 20.7874 20.7874 26.1500 26.1500 26.3314 26.3314 k = 0.5000-0.2887 0.4082 ( 360 PWs) bands (ev): 8.1820 8.1820 8.7352 8.7352 11.9854 11.9854 12.1373 12.1373 12.2629 12.2629 14.4848 14.4848 20.7869 20.7869 26.1593 26.1593 26.3398 26.3398 Writing output data file Ni.save init_run : 0.05s CPU 0.19s WALL ( 1 calls) electrons : 28.38s CPU 29.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 28.38s CPU 29.50s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.01s WALL ( 573 calls) cegterg : 25.91s CPU 26.67s WALL ( 627 calls) Called by sum_band: Called by *egterg: h_psi : 9.50s CPU 10.04s WALL ( 8454 calls) s_psi : 0.42s CPU 0.38s WALL ( 8454 calls) g_psi : 0.01s CPU 0.02s WALL ( 7254 calls) cdiaghg : 15.20s CPU 15.64s WALL ( 7827 calls) cegterg:over : 0.77s CPU 0.77s WALL ( 7254 calls) cegterg:upda : 0.63s CPU 0.61s WALL ( 7254 calls) cegterg:last : 0.34s CPU 0.27s WALL ( 1493 calls) cdiaghg:chol : 0.92s CPU 0.85s WALL ( 7827 calls) cdiaghg:inve : 0.22s CPU 0.18s WALL ( 7827 calls) cdiaghg:para : 1.11s CPU 1.15s WALL ( 15654 calls) Called by h_psi: h_psi:vloc : 8.59s CPU 9.06s WALL ( 8454 calls) h_psi:vnl : 0.89s CPU 0.96s WALL ( 8454 calls) add_vuspsi : 0.46s CPU 0.50s WALL ( 8454 calls) General routines calbec : 0.42s CPU 0.44s WALL ( 8454 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 8.16s CPU 8.61s WALL ( 360248 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.17s WALL ( 1146 calls) Parallel routines fft_scatter : 5.46s CPU 5.75s WALL ( 360271 calls) PWSCF : 34.76s CPU 50.17s WALL This run was terminated on: 20:56:16 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=