Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 7:56 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: ./PtSe2.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 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 41 15 4 1733 397 64 Max 42 16 5 1740 414 73 Sum 1483 559 163 62493 14577 2475 bravais-lattice index = 14 lattice parameter (alat) = 7.0373 a.u. unit-cell volume = 410.2689 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.037340 celldm(2)= 1.000000 celldm(3)= 1.359291 celldm(4)= 0.000000 celldm(5)= 0.000000 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) = ( 0.000000 0.000000 1.359291 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.735678 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc 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 1277 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 Se 6.00 78.96000 Se( 1.00) Pt 10.00 195.08400 Pt( 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 ) ( 0 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) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 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) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 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) = ( -1 -1 0 ) ( 0 1 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) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -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 ) ( 0 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) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 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) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -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) = ( 1 1 0 ) ( 0 -1 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) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 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= 375 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( 0.0102041 0.0058913 -0.0000000), wk = 0.0026667 k( 3) = ( 0.0204082 0.0117827 -0.0000000), wk = 0.0026667 k( 4) = ( 0.0306122 0.0176740 -0.0000000), wk = 0.0026667 k( 5) = ( 0.0408163 0.0235653 -0.0000000), wk = 0.0026667 k( 6) = ( 0.0510204 0.0294566 -0.0000000), wk = 0.0026667 k( 7) = ( 0.0612245 0.0353480 -0.0000000), wk = 0.0026667 k( 8) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0026667 k( 9) = ( 0.0816327 0.0471306 -0.0000000), wk = 0.0026667 k( 10) = ( 0.0918367 0.0530220 -0.0000000), wk = 0.0026667 k( 11) = ( 0.1020408 0.0589133 -0.0000000), wk = 0.0026667 k( 12) = ( 0.1122449 0.0648046 -0.0000000), wk = 0.0026667 k( 13) = ( 0.1224490 0.0706960 -0.0000000), wk = 0.0026667 k( 14) = ( 0.1326531 0.0765873 -0.0000000), wk = 0.0026667 k( 15) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0026667 k( 16) = ( 0.1530612 0.0883699 -0.0000000), wk = 0.0026667 k( 17) = ( 0.1632653 0.0942613 -0.0000000), wk = 0.0026667 k( 18) = ( 0.1734694 0.1001526 -0.0000000), wk = 0.0026667 k( 19) = ( 0.1836735 0.1060439 -0.0000000), wk = 0.0026667 k( 20) = ( 0.1938776 0.1119353 -0.0000000), wk = 0.0026667 k( 21) = ( 0.2040816 0.1178266 -0.0000000), wk = 0.0026667 k( 22) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0026667 k( 23) = ( 0.2244898 0.1296092 -0.0000000), wk = 0.0026667 k( 24) = ( 0.2346939 0.1355006 -0.0000000), wk = 0.0026667 k( 25) = ( 0.2448980 0.1413919 -0.0000000), wk = 0.0026667 k( 26) = ( 0.2551020 0.1472832 -0.0000000), wk = 0.0026667 k( 27) = ( 0.2653061 0.1531746 -0.0000000), wk = 0.0026667 k( 28) = ( 0.2755102 0.1590659 -0.0000000), wk = 0.0026667 k( 29) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0026667 k( 30) = ( 0.2959184 0.1708486 -0.0000000), wk = 0.0026667 k( 31) = ( 0.3061224 0.1767399 -0.0000000), wk = 0.0026667 k( 32) = ( 0.3163265 0.1826312 -0.0000000), wk = 0.0026667 k( 33) = ( 0.3265306 0.1885225 -0.0000000), wk = 0.0026667 k( 34) = ( 0.3367347 0.1944139 -0.0000000), wk = 0.0026667 k( 35) = ( 0.3469388 0.2003052 -0.0000000), wk = 0.0026667 k( 36) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0026667 k( 37) = ( 0.3673469 0.2120879 -0.0000000), wk = 0.0026667 k( 38) = ( 0.3775510 0.2179792 -0.0000000), wk = 0.0026667 k( 39) = ( 0.3877551 0.2238705 -0.0000000), wk = 0.0026667 k( 40) = ( 0.3979592 0.2297618 -0.0000000), wk = 0.0026667 k( 41) = ( 0.4081633 0.2356532 -0.0000000), wk = 0.0026667 k( 42) = ( 0.4183674 0.2415445 -0.0000000), wk = 0.0026667 k( 43) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0026667 k( 44) = ( 0.4387755 0.2533272 -0.0000000), wk = 0.0026667 k( 45) = ( 0.4489796 0.2592185 -0.0000000), wk = 0.0026667 k( 46) = ( 0.4591837 0.2651098 -0.0000000), wk = 0.0026667 k( 47) = ( 0.4693878 0.2710011 -0.0000000), wk = 0.0026667 k( 48) = ( 0.4795918 0.2768925 -0.0000000), wk = 0.0026667 k( 49) = ( 0.4897959 0.2827838 -0.0000000), wk = 0.0026667 k( 50) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026667 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026667 k( 52) = ( 0.4942529 0.2986294 -0.0000000), wk = 0.0026667 k( 53) = ( 0.4885058 0.3085838 -0.0000000), wk = 0.0026667 k( 54) = ( 0.4827586 0.3185381 -0.0000000), wk = 0.0026667 k( 55) = ( 0.4770115 0.3284924 -0.0000000), wk = 0.0026667 k( 56) = ( 0.4712644 0.3384467 -0.0000000), wk = 0.0026667 k( 57) = ( 0.4655172 0.3484010 -0.0000000), wk = 0.0026667 k( 58) = ( 0.4597701 0.3583553 -0.0000000), wk = 0.0026667 k( 59) = ( 0.4540230 0.3683097 -0.0000000), wk = 0.0026667 k( 60) = ( 0.4482759 0.3782640 -0.0000000), wk = 0.0026667 k( 61) = ( 0.4425287 0.3882183 -0.0000000), wk = 0.0026667 k( 62) = ( 0.4367816 0.3981726 -0.0000000), wk = 0.0026667 k( 63) = ( 0.4310345 0.4081269 -0.0000000), wk = 0.0026667 k( 64) = ( 0.4252874 0.4180812 -0.0000000), wk = 0.0026667 k( 65) = ( 0.4195402 0.4280355 -0.0000000), wk = 0.0026667 k( 66) = ( 0.4137931 0.4379899 -0.0000000), wk = 0.0026667 k( 67) = ( 0.4080460 0.4479442 -0.0000000), wk = 0.0026667 k( 68) = ( 0.4022988 0.4578985 -0.0000000), wk = 0.0026667 k( 69) = ( 0.3965517 0.4678528 -0.0000000), wk = 0.0026667 k( 70) = ( 0.3908046 0.4778071 -0.0000000), wk = 0.0026667 k( 71) = ( 0.3850575 0.4877614 -0.0000000), wk = 0.0026667 k( 72) = ( 0.3793103 0.4977157 -0.0000000), wk = 0.0026667 k( 73) = ( 0.3735632 0.5076701 -0.0000000), wk = 0.0026667 k( 74) = ( 0.3678161 0.5176244 -0.0000000), wk = 0.0026667 k( 75) = ( 0.3620690 0.5275787 -0.0000000), wk = 0.0026667 k( 76) = ( 0.3563218 0.5375330 -0.0000000), wk = 0.0026667 k( 77) = ( 0.3505747 0.5474873 -0.0000000), wk = 0.0026667 k( 78) = ( 0.3448276 0.5574416 -0.0000000), wk = 0.0026667 k( 79) = ( 0.3390805 0.5673960 -0.0000000), wk = 0.0026667 k( 80) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026667 k( 81) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026667 k( 82) = ( 0.3274854 0.5672213 -0.0000000), wk = 0.0026667 k( 83) = ( 0.3216374 0.5570924 -0.0000000), wk = 0.0026667 k( 84) = ( 0.3157895 0.5469634 -0.0000000), wk = 0.0026667 k( 85) = ( 0.3099415 0.5368345 -0.0000000), wk = 0.0026667 k( 86) = ( 0.3040936 0.5267055 -0.0000000), wk = 0.0026667 k( 87) = ( 0.2982456 0.5165765 -0.0000000), wk = 0.0026667 k( 88) = ( 0.2923977 0.5064476 -0.0000000), wk = 0.0026667 k( 89) = ( 0.2865497 0.4963187 -0.0000000), wk = 0.0026667 k( 90) = ( 0.2807018 0.4861897 -0.0000000), wk = 0.0026667 k( 91) = ( 0.2748538 0.4760607 -0.0000000), wk = 0.0026667 k( 92) = ( 0.2690058 0.4659318 -0.0000000), wk = 0.0026667 k( 93) = ( 0.2631579 0.4558028 -0.0000000), wk = 0.0026667 k( 94) = ( 0.2573099 0.4456739 -0.0000000), wk = 0.0026667 k( 95) = ( 0.2514620 0.4355449 -0.0000000), wk = 0.0026667 k( 96) = ( 0.2456140 0.4254160 -0.0000000), wk = 0.0026667 k( 97) = ( 0.2397661 0.4152870 -0.0000000), wk = 0.0026667 k( 98) = ( 0.2339181 0.4051581 -0.0000000), wk = 0.0026667 k( 99) = ( 0.2280702 0.3950291 -0.0000000), wk = 0.0026667 k( 100) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0026667 k( 101) = ( 0.2163743 0.3747712 -0.0000000), wk = 0.0026667 k( 102) = ( 0.2105263 0.3646423 -0.0000000), wk = 0.0026667 k( 103) = ( 0.2046784 0.3545133 -0.0000000), wk = 0.0026667 k( 104) = ( 0.1988304 0.3443844 -0.0000000), wk = 0.0026667 k( 105) = ( 0.1929825 0.3342554 -0.0000000), wk = 0.0026667 k( 106) = ( 0.1871345 0.3241265 -0.0000000), wk = 0.0026667 k( 107) = ( 0.1812865 0.3139975 -0.0000000), wk = 0.0026667 k( 108) = ( 0.1754386 0.3038686 -0.0000000), wk = 0.0026667 k( 109) = ( 0.1695906 0.2937396 -0.0000000), wk = 0.0026667 k( 110) = ( 0.1637427 0.2836107 -0.0000000), wk = 0.0026667 k( 111) = ( 0.1578947 0.2734817 -0.0000000), wk = 0.0026667 k( 112) = ( 0.1520468 0.2633527 -0.0000000), wk = 0.0026667 k( 113) = ( 0.1461988 0.2532238 -0.0000000), wk = 0.0026667 k( 114) = ( 0.1403509 0.2430949 -0.0000000), wk = 0.0026667 k( 115) = ( 0.1345029 0.2329659 -0.0000000), wk = 0.0026667 k( 116) = ( 0.1286550 0.2228369 -0.0000000), wk = 0.0026667 k( 117) = ( 0.1228070 0.2127080 -0.0000000), wk = 0.0026667 k( 118) = ( 0.1169591 0.2025790 -0.0000000), wk = 0.0026667 k( 119) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0026667 k( 120) = ( 0.1052632 0.1823211 -0.0000000), wk = 0.0026667 k( 121) = ( 0.0994152 0.1721922 -0.0000000), wk = 0.0026667 k( 122) = ( 0.0935673 0.1620632 -0.0000000), wk = 0.0026667 k( 123) = ( 0.0877193 0.1519343 -0.0000000), wk = 0.0026667 k( 124) = ( 0.0818713 0.1418053 -0.0000000), wk = 0.0026667 k( 125) = ( 0.0760234 0.1316764 -0.0000000), wk = 0.0026667 k( 126) = ( 0.0701754 0.1215474 -0.0000000), wk = 0.0026667 k( 127) = ( 0.0643275 0.1114185 -0.0000000), wk = 0.0026667 k( 128) = ( 0.0584795 0.1012895 -0.0000000), wk = 0.0026667 k( 129) = ( 0.0526316 0.0911606 -0.0000000), wk = 0.0026667 k( 130) = ( 0.0467836 0.0810316 -0.0000000), wk = 0.0026667 k( 131) = ( 0.0409357 0.0709027 -0.0000000), wk = 0.0026667 k( 132) = ( 0.0350877 0.0607737 -0.0000000), wk = 0.0026667 k( 133) = ( 0.0292398 0.0506448 -0.0000000), wk = 0.0026667 k( 134) = ( 0.0233918 0.0405158 -0.0000000), wk = 0.0026667 k( 135) = ( 0.0175439 0.0303869 -0.0000000), wk = 0.0026667 k( 136) = ( 0.0116959 0.0202579 -0.0000000), wk = 0.0026667 k( 137) = ( 0.0058480 0.0101289 -0.0000000), wk = 0.0026667 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 140) = ( 0.0000000 0.0000000 0.0114950), wk = 0.0026667 k( 141) = ( 0.0000000 0.0000000 0.0229899), wk = 0.0026667 k( 142) = ( 0.0000000 0.0000000 0.0344849), wk = 0.0026667 k( 143) = ( 0.0000000 0.0000000 0.0459798), wk = 0.0026667 k( 144) = ( 0.0000000 0.0000000 0.0574748), wk = 0.0026667 k( 145) = ( 0.0000000 0.0000000 0.0689698), wk = 0.0026667 k( 146) = ( 0.0000000 0.0000000 0.0804647), wk = 0.0026667 k( 147) = ( 0.0000000 0.0000000 0.0919597), wk = 0.0026667 k( 148) = ( 0.0000000 0.0000000 0.1034547), wk = 0.0026667 k( 149) = ( 0.0000000 0.0000000 0.1149496), wk = 0.0026667 k( 150) = ( 0.0000000 0.0000000 0.1264446), wk = 0.0026667 k( 151) = ( 0.0000000 0.0000000 0.1379395), wk = 0.0026667 k( 152) = ( 0.0000000 0.0000000 0.1494345), wk = 0.0026667 k( 153) = ( 0.0000000 0.0000000 0.1609295), wk = 0.0026667 k( 154) = ( 0.0000000 0.0000000 0.1724244), wk = 0.0026667 k( 155) = ( 0.0000000 0.0000000 0.1839194), wk = 0.0026667 k( 156) = ( 0.0000000 0.0000000 0.1954144), wk = 0.0026667 k( 157) = ( 0.0000000 0.0000000 0.2069093), wk = 0.0026667 k( 158) = ( 0.0000000 0.0000000 0.2184043), wk = 0.0026667 k( 159) = ( 0.0000000 0.0000000 0.2298992), wk = 0.0026667 k( 160) = ( 0.0000000 0.0000000 0.2413942), wk = 0.0026667 k( 161) = ( 0.0000000 0.0000000 0.2528892), wk = 0.0026667 k( 162) = ( 0.0000000 0.0000000 0.2643841), wk = 0.0026667 k( 163) = ( 0.0000000 0.0000000 0.2758791), wk = 0.0026667 k( 164) = ( 0.0000000 0.0000000 0.2873741), wk = 0.0026667 k( 165) = ( 0.0000000 0.0000000 0.2988690), wk = 0.0026667 k( 166) = ( 0.0000000 0.0000000 0.3103640), wk = 0.0026667 k( 167) = ( 0.0000000 0.0000000 0.3218589), wk = 0.0026667 k( 168) = ( 0.0000000 0.0000000 0.3333539), wk = 0.0026667 k( 169) = ( 0.0000000 0.0000000 0.3448489), wk = 0.0026667 k( 170) = ( 0.0000000 0.0000000 0.3563438), wk = 0.0026667 k( 171) = ( 0.0000000 0.0000000 0.3678388), wk = 0.0026667 k( 172) = ( 0.0000000 0.0000000 0.3678388), wk = 0.0026667 k( 173) = ( 0.0102041 0.0058913 0.3678388), wk = 0.0026667 k( 174) = ( 0.0204082 0.0117827 0.3678388), wk = 0.0026667 k( 175) = ( 0.0306122 0.0176740 0.3678388), wk = 0.0026667 k( 176) = ( 0.0408163 0.0235653 0.3678388), wk = 0.0026667 k( 177) = ( 0.0510204 0.0294566 0.3678388), wk = 0.0026667 k( 178) = ( 0.0612245 0.0353480 0.3678388), wk = 0.0026667 k( 179) = ( 0.0714286 0.0412393 0.3678388), wk = 0.0026667 k( 180) = ( 0.0816327 0.0471306 0.3678388), wk = 0.0026667 k( 181) = ( 0.0918367 0.0530220 0.3678388), wk = 0.0026667 k( 182) = ( 0.1020408 0.0589133 0.3678388), wk = 0.0026667 k( 183) = ( 0.1122449 0.0648046 0.3678388), wk = 0.0026667 k( 184) = ( 0.1224490 0.0706960 0.3678388), wk = 0.0026667 k( 185) = ( 0.1326531 0.0765873 0.3678388), wk = 0.0026667 k( 186) = ( 0.1428571 0.0824786 0.3678388), wk = 0.0026667 k( 187) = ( 0.1530612 0.0883699 0.3678388), wk = 0.0026667 k( 188) = ( 0.1632653 0.0942613 0.3678388), wk = 0.0026667 k( 189) = ( 0.1734694 0.1001526 0.3678388), wk = 0.0026667 k( 190) = ( 0.1836735 0.1060439 0.3678388), wk = 0.0026667 k( 191) = ( 0.1938776 0.1119353 0.3678388), wk = 0.0026667 k( 192) = ( 0.2040816 0.1178266 0.3678388), wk = 0.0026667 k( 193) = ( 0.2142857 0.1237179 0.3678388), wk = 0.0026667 k( 194) = ( 0.2244898 0.1296092 0.3678388), wk = 0.0026667 k( 195) = ( 0.2346939 0.1355006 0.3678388), wk = 0.0026667 k( 196) = ( 0.2448980 0.1413919 0.3678388), wk = 0.0026667 k( 197) = ( 0.2551020 0.1472832 0.3678388), wk = 0.0026667 k( 198) = ( 0.2653061 0.1531746 0.3678388), wk = 0.0026667 k( 199) = ( 0.2755102 0.1590659 0.3678388), wk = 0.0026667 k( 200) = ( 0.2857143 0.1649572 0.3678388), wk = 0.0026667 k( 201) = ( 0.2959184 0.1708486 0.3678388), wk = 0.0026667 k( 202) = ( 0.3061224 0.1767399 0.3678388), wk = 0.0026667 k( 203) = ( 0.3163265 0.1826312 0.3678388), wk = 0.0026667 k( 204) = ( 0.3265306 0.1885225 0.3678388), wk = 0.0026667 k( 205) = ( 0.3367347 0.1944139 0.3678388), wk = 0.0026667 k( 206) = ( 0.3469388 0.2003052 0.3678388), wk = 0.0026667 k( 207) = ( 0.3571429 0.2061965 0.3678388), wk = 0.0026667 k( 208) = ( 0.3673469 0.2120879 0.3678388), wk = 0.0026667 k( 209) = ( 0.3775510 0.2179792 0.3678388), wk = 0.0026667 k( 210) = ( 0.3877551 0.2238705 0.3678388), wk = 0.0026667 k( 211) = ( 0.3979592 0.2297618 0.3678388), wk = 0.0026667 k( 212) = ( 0.4081633 0.2356532 0.3678388), wk = 0.0026667 k( 213) = ( 0.4183674 0.2415445 0.3678388), wk = 0.0026667 k( 214) = ( 0.4285714 0.2474358 0.3678388), wk = 0.0026667 k( 215) = ( 0.4387755 0.2533272 0.3678388), wk = 0.0026667 k( 216) = ( 0.4489796 0.2592185 0.3678388), wk = 0.0026667 k( 217) = ( 0.4591837 0.2651098 0.3678388), wk = 0.0026667 k( 218) = ( 0.4693878 0.2710011 0.3678388), wk = 0.0026667 k( 219) = ( 0.4795918 0.2768925 0.3678388), wk = 0.0026667 k( 220) = ( 0.4897959 0.2827838 0.3678388), wk = 0.0026667 k( 221) = ( 0.5000000 0.2886751 0.3678388), wk = 0.0026667 k( 222) = ( 0.5000000 0.2886751 0.3678388), wk = 0.0026667 k( 223) = ( 0.4942529 0.2986294 0.3678388), wk = 0.0026667 k( 224) = ( 0.4885058 0.3085838 0.3678388), wk = 0.0026667 k( 225) = ( 0.4827586 0.3185381 0.3678388), wk = 0.0026667 k( 226) = ( 0.4770115 0.3284924 0.3678388), wk = 0.0026667 k( 227) = ( 0.4712644 0.3384467 0.3678388), wk = 0.0026667 k( 228) = ( 0.4655172 0.3484010 0.3678388), wk = 0.0026667 k( 229) = ( 0.4597701 0.3583553 0.3678388), wk = 0.0026667 k( 230) = ( 0.4540230 0.3683097 0.3678388), wk = 0.0026667 k( 231) = ( 0.4482759 0.3782640 0.3678388), wk = 0.0026667 k( 232) = ( 0.4425287 0.3882183 0.3678388), wk = 0.0026667 k( 233) = ( 0.4367816 0.3981726 0.3678388), wk = 0.0026667 k( 234) = ( 0.4310345 0.4081269 0.3678388), wk = 0.0026667 k( 235) = ( 0.4252874 0.4180812 0.3678388), wk = 0.0026667 k( 236) = ( 0.4195402 0.4280355 0.3678388), wk = 0.0026667 k( 237) = ( 0.4137931 0.4379899 0.3678388), wk = 0.0026667 k( 238) = ( 0.4080460 0.4479442 0.3678388), wk = 0.0026667 k( 239) = ( 0.4022988 0.4578985 0.3678388), wk = 0.0026667 k( 240) = ( 0.3965517 0.4678528 0.3678388), wk = 0.0026667 k( 241) = ( 0.3908046 0.4778071 0.3678388), wk = 0.0026667 k( 242) = ( 0.3850575 0.4877614 0.3678388), wk = 0.0026667 k( 243) = ( 0.3793103 0.4977157 0.3678388), wk = 0.0026667 k( 244) = ( 0.3735632 0.5076701 0.3678388), wk = 0.0026667 k( 245) = ( 0.3678161 0.5176244 0.3678388), wk = 0.0026667 k( 246) = ( 0.3620690 0.5275787 0.3678388), wk = 0.0026667 k( 247) = ( 0.3563218 0.5375330 0.3678388), wk = 0.0026667 k( 248) = ( 0.3505747 0.5474873 0.3678388), wk = 0.0026667 k( 249) = ( 0.3448276 0.5574416 0.3678388), wk = 0.0026667 k( 250) = ( 0.3390805 0.5673960 0.3678388), wk = 0.0026667 k( 251) = ( 0.3333333 0.5773503 0.3678388), wk = 0.0026667 k( 252) = ( 0.3333333 0.5773503 0.3678388), wk = 0.0026667 k( 253) = ( 0.3274854 0.5672213 0.3678388), wk = 0.0026667 k( 254) = ( 0.3216374 0.5570924 0.3678388), wk = 0.0026667 k( 255) = ( 0.3157895 0.5469634 0.3678388), wk = 0.0026667 k( 256) = ( 0.3099415 0.5368345 0.3678388), wk = 0.0026667 k( 257) = ( 0.3040936 0.5267055 0.3678388), wk = 0.0026667 k( 258) = ( 0.2982456 0.5165765 0.3678388), wk = 0.0026667 k( 259) = ( 0.2923977 0.5064476 0.3678388), wk = 0.0026667 k( 260) = ( 0.2865497 0.4963187 0.3678388), wk = 0.0026667 k( 261) = ( 0.2807018 0.4861897 0.3678388), wk = 0.0026667 k( 262) = ( 0.2748538 0.4760607 0.3678388), wk = 0.0026667 k( 263) = ( 0.2690058 0.4659318 0.3678388), wk = 0.0026667 k( 264) = ( 0.2631579 0.4558028 0.3678388), wk = 0.0026667 k( 265) = ( 0.2573099 0.4456739 0.3678388), wk = 0.0026667 k( 266) = ( 0.2514620 0.4355449 0.3678388), wk = 0.0026667 k( 267) = ( 0.2456140 0.4254160 0.3678388), wk = 0.0026667 k( 268) = ( 0.2397661 0.4152870 0.3678388), wk = 0.0026667 k( 269) = ( 0.2339181 0.4051581 0.3678388), wk = 0.0026667 k( 270) = ( 0.2280702 0.3950291 0.3678388), wk = 0.0026667 k( 271) = ( 0.2222222 0.3849002 0.3678388), wk = 0.0026667 k( 272) = ( 0.2163743 0.3747712 0.3678388), wk = 0.0026667 k( 273) = ( 0.2105263 0.3646423 0.3678388), wk = 0.0026667 k( 274) = ( 0.2046784 0.3545133 0.3678388), wk = 0.0026667 k( 275) = ( 0.1988304 0.3443844 0.3678388), wk = 0.0026667 k( 276) = ( 0.1929825 0.3342554 0.3678388), wk = 0.0026667 k( 277) = ( 0.1871345 0.3241265 0.3678388), wk = 0.0026667 k( 278) = ( 0.1812865 0.3139975 0.3678388), wk = 0.0026667 k( 279) = ( 0.1754386 0.3038686 0.3678388), wk = 0.0026667 k( 280) = ( 0.1695906 0.2937396 0.3678388), wk = 0.0026667 k( 281) = ( 0.1637427 0.2836107 0.3678388), wk = 0.0026667 k( 282) = ( 0.1578947 0.2734817 0.3678388), wk = 0.0026667 k( 283) = ( 0.1520468 0.2633527 0.3678388), wk = 0.0026667 k( 284) = ( 0.1461988 0.2532238 0.3678388), wk = 0.0026667 k( 285) = ( 0.1403509 0.2430949 0.3678388), wk = 0.0026667 k( 286) = ( 0.1345029 0.2329659 0.3678388), wk = 0.0026667 k( 287) = ( 0.1286550 0.2228369 0.3678388), wk = 0.0026667 k( 288) = ( 0.1228070 0.2127080 0.3678388), wk = 0.0026667 k( 289) = ( 0.1169591 0.2025790 0.3678388), wk = 0.0026667 k( 290) = ( 0.1111111 0.1924501 0.3678388), wk = 0.0026667 k( 291) = ( 0.1052632 0.1823211 0.3678388), wk = 0.0026667 k( 292) = ( 0.0994152 0.1721922 0.3678388), wk = 0.0026667 k( 293) = ( 0.0935673 0.1620632 0.3678388), wk = 0.0026667 k( 294) = ( 0.0877193 0.1519343 0.3678388), wk = 0.0026667 k( 295) = ( 0.0818713 0.1418053 0.3678388), wk = 0.0026667 k( 296) = ( 0.0760234 0.1316764 0.3678388), wk = 0.0026667 k( 297) = ( 0.0701754 0.1215474 0.3678388), wk = 0.0026667 k( 298) = ( 0.0643275 0.1114185 0.3678388), wk = 0.0026667 k( 299) = ( 0.0584795 0.1012895 0.3678388), wk = 0.0026667 k( 300) = ( 0.0526316 0.0911606 0.3678388), wk = 0.0026667 k( 301) = ( 0.0467836 0.0810316 0.3678388), wk = 0.0026667 k( 302) = ( 0.0409357 0.0709027 0.3678388), wk = 0.0026667 k( 303) = ( 0.0350877 0.0607737 0.3678388), wk = 0.0026667 k( 304) = ( 0.0292398 0.0506448 0.3678388), wk = 0.0026667 k( 305) = ( 0.0233918 0.0405158 0.3678388), wk = 0.0026667 k( 306) = ( 0.0175439 0.0303869 0.3678388), wk = 0.0026667 k( 307) = ( 0.0116959 0.0202579 0.3678388), wk = 0.0026667 k( 308) = ( 0.0058480 0.0101289 0.3678388), wk = 0.0026667 k( 309) = ( 0.0000000 0.0000000 0.3678388), wk = 0.0026667 k( 310) = ( 0.5000000 0.2886751 0.3678388), wk = 0.0026667 k( 311) = ( 0.5000000 0.2886751 0.3563438), wk = 0.0026667 k( 312) = ( 0.5000000 0.2886751 0.3448489), wk = 0.0026667 k( 313) = ( 0.5000000 0.2886751 0.3333539), wk = 0.0026667 k( 314) = ( 0.5000000 0.2886751 0.3218589), wk = 0.0026667 k( 315) = ( 0.5000000 0.2886751 0.3103640), wk = 0.0026667 k( 316) = ( 0.5000000 0.2886751 0.2988690), wk = 0.0026667 k( 317) = ( 0.5000000 0.2886751 0.2873741), wk = 0.0026667 k( 318) = ( 0.5000000 0.2886751 0.2758791), wk = 0.0026667 k( 319) = ( 0.5000000 0.2886751 0.2643841), wk = 0.0026667 k( 320) = ( 0.5000000 0.2886751 0.2528892), wk = 0.0026667 k( 321) = ( 0.5000000 0.2886751 0.2413942), wk = 0.0026667 k( 322) = ( 0.5000000 0.2886751 0.2298992), wk = 0.0026667 k( 323) = ( 0.5000000 0.2886751 0.2184043), wk = 0.0026667 k( 324) = ( 0.5000000 0.2886751 0.2069093), wk = 0.0026667 k( 325) = ( 0.5000000 0.2886751 0.1954144), wk = 0.0026667 k( 326) = ( 0.5000000 0.2886751 0.1839194), wk = 0.0026667 k( 327) = ( 0.5000000 0.2886751 0.1724244), wk = 0.0026667 k( 328) = ( 0.5000000 0.2886751 0.1609295), wk = 0.0026667 k( 329) = ( 0.5000000 0.2886751 0.1494345), wk = 0.0026667 k( 330) = ( 0.5000000 0.2886751 0.1379395), wk = 0.0026667 k( 331) = ( 0.5000000 0.2886751 0.1264446), wk = 0.0026667 k( 332) = ( 0.5000000 0.2886751 0.1149496), wk = 0.0026667 k( 333) = ( 0.5000000 0.2886751 0.1034547), wk = 0.0026667 k( 334) = ( 0.5000000 0.2886751 0.0919597), wk = 0.0026667 k( 335) = ( 0.5000000 0.2886751 0.0804647), wk = 0.0026667 k( 336) = ( 0.5000000 0.2886751 0.0689698), wk = 0.0026667 k( 337) = ( 0.5000000 0.2886751 0.0574748), wk = 0.0026667 k( 338) = ( 0.5000000 0.2886751 0.0459798), wk = 0.0026667 k( 339) = ( 0.5000000 0.2886751 0.0344849), wk = 0.0026667 k( 340) = ( 0.5000000 0.2886751 0.0229899), wk = 0.0026667 k( 341) = ( 0.5000000 0.2886751 0.0114950), wk = 0.0026667 k( 342) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026667 k( 343) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026667 k( 344) = ( 0.3333333 0.5773503 0.0114950), wk = 0.0026667 k( 345) = ( 0.3333333 0.5773503 0.0229899), wk = 0.0026667 k( 346) = ( 0.3333333 0.5773503 0.0344849), wk = 0.0026667 k( 347) = ( 0.3333333 0.5773503 0.0459798), wk = 0.0026667 k( 348) = ( 0.3333333 0.5773503 0.0574748), wk = 0.0026667 k( 349) = ( 0.3333333 0.5773503 0.0689698), wk = 0.0026667 k( 350) = ( 0.3333333 0.5773503 0.0804647), wk = 0.0026667 k( 351) = ( 0.3333333 0.5773503 0.0919597), wk = 0.0026667 k( 352) = ( 0.3333333 0.5773503 0.1034547), wk = 0.0026667 k( 353) = ( 0.3333333 0.5773503 0.1149496), wk = 0.0026667 k( 354) = ( 0.3333333 0.5773503 0.1264446), wk = 0.0026667 k( 355) = ( 0.3333333 0.5773503 0.1379395), wk = 0.0026667 k( 356) = ( 0.3333333 0.5773503 0.1494345), wk = 0.0026667 k( 357) = ( 0.3333333 0.5773503 0.1609295), wk = 0.0026667 k( 358) = ( 0.3333333 0.5773503 0.1724244), wk = 0.0026667 k( 359) = ( 0.3333333 0.5773503 0.1839194), wk = 0.0026667 k( 360) = ( 0.3333333 0.5773503 0.1954144), wk = 0.0026667 k( 361) = ( 0.3333333 0.5773503 0.2069093), wk = 0.0026667 k( 362) = ( 0.3333333 0.5773503 0.2184043), wk = 0.0026667 k( 363) = ( 0.3333333 0.5773503 0.2298992), wk = 0.0026667 k( 364) = ( 0.3333333 0.5773503 0.2413942), wk = 0.0026667 k( 365) = ( 0.3333333 0.5773503 0.2528892), wk = 0.0026667 k( 366) = ( 0.3333333 0.5773503 0.2643841), wk = 0.0026667 k( 367) = ( 0.3333333 0.5773503 0.2758791), wk = 0.0026667 k( 368) = ( 0.3333333 0.5773503 0.2873741), wk = 0.0026667 k( 369) = ( 0.3333333 0.5773503 0.2988690), wk = 0.0026667 k( 370) = ( 0.3333333 0.5773503 0.3103640), wk = 0.0026667 k( 371) = ( 0.3333333 0.5773503 0.3218589), wk = 0.0026667 k( 372) = ( 0.3333333 0.5773503 0.3333539), wk = 0.0026667 k( 373) = ( 0.3333333 0.5773503 0.3448489), wk = 0.0026667 k( 374) = ( 0.3333333 0.5773503 0.3563438), wk = 0.0026667 k( 375) = ( 0.3333333 0.5773503 0.3678388), wk = 0.0026667 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( 0.0102041 -0.0000000 -0.0000000), wk = 0.0026667 k( 3) = ( 0.0204082 -0.0000000 -0.0000000), wk = 0.0026667 k( 4) = ( 0.0306122 -0.0000000 -0.0000000), wk = 0.0026667 k( 5) = ( 0.0408163 -0.0000000 -0.0000000), wk = 0.0026667 k( 6) = ( 0.0510204 -0.0000000 -0.0000000), wk = 0.0026667 k( 7) = ( 0.0612245 0.0000000 0.0000000), wk = 0.0026667 k( 8) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0026667 k( 9) = ( 0.0816327 -0.0000000 -0.0000000), wk = 0.0026667 k( 10) = ( 0.0918367 0.0000000 0.0000000), wk = 0.0026667 k( 11) = ( 0.1020408 -0.0000000 -0.0000000), wk = 0.0026667 k( 12) = ( 0.1122449 0.0000000 0.0000000), wk = 0.0026667 k( 13) = ( 0.1224490 0.0000000 0.0000000), wk = 0.0026667 k( 14) = ( 0.1326531 0.0000000 -0.0000000), wk = 0.0026667 k( 15) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0026667 k( 16) = ( 0.1530612 0.0000000 0.0000000), wk = 0.0026667 k( 17) = ( 0.1632653 -0.0000000 0.0000000), wk = 0.0026667 k( 18) = ( 0.1734694 0.0000000 0.0000000), wk = 0.0026667 k( 19) = ( 0.1836735 0.0000000 0.0000000), wk = 0.0026667 k( 20) = ( 0.1938776 0.0000000 -0.0000000), wk = 0.0026667 k( 21) = ( 0.2040816 -0.0000000 0.0000000), wk = 0.0026667 k( 22) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0026667 k( 23) = ( 0.2244898 0.0000000 0.0000000), wk = 0.0026667 k( 24) = ( 0.2346939 0.0000000 0.0000000), wk = 0.0026667 k( 25) = ( 0.2448980 0.0000000 0.0000000), wk = 0.0026667 k( 26) = ( 0.2551020 0.0000000 0.0000000), wk = 0.0026667 k( 27) = ( 0.2653061 0.0000000 -0.0000000), wk = 0.0026667 k( 28) = ( 0.2755102 0.0000000 -0.0000000), wk = 0.0026667 k( 29) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0026667 k( 30) = ( 0.2959184 0.0000000 0.0000000), wk = 0.0026667 k( 31) = ( 0.3061224 0.0000000 -0.0000000), wk = 0.0026667 k( 32) = ( 0.3163265 -0.0000000 -0.0000000), wk = 0.0026667 k( 33) = ( 0.3265306 -0.0000000 0.0000000), wk = 0.0026667 k( 34) = ( 0.3367347 0.0000000 0.0000000), wk = 0.0026667 k( 35) = ( 0.3469388 0.0000000 0.0000000), wk = 0.0026667 k( 36) = ( 0.3571429 0.0000000 -0.0000000), wk = 0.0026667 k( 37) = ( 0.3673469 0.0000000 0.0000000), wk = 0.0026667 k( 38) = ( 0.3775510 0.0000000 -0.0000000), wk = 0.0026667 k( 39) = ( 0.3877551 0.0000000 -0.0000000), wk = 0.0026667 k( 40) = ( 0.3979592 -0.0000000 0.0000000), wk = 0.0026667 k( 41) = ( 0.4081633 -0.0000000 0.0000000), wk = 0.0026667 k( 42) = ( 0.4183674 0.0000000 0.0000000), wk = 0.0026667 k( 43) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0026667 k( 44) = ( 0.4387755 0.0000000 0.0000000), wk = 0.0026667 k( 45) = ( 0.4489796 -0.0000000 -0.0000000), wk = 0.0026667 k( 46) = ( 0.4591837 -0.0000000 -0.0000000), wk = 0.0026667 k( 47) = ( 0.4693878 0.0000000 0.0000000), wk = 0.0026667 k( 48) = ( 0.4795918 0.0000000 0.0000000), wk = 0.0026667 k( 49) = ( 0.4897959 0.0000000 0.0000000), wk = 0.0026667 k( 50) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026667 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026667 k( 52) = ( 0.4942529 0.0114943 0.0000000), wk = 0.0026667 k( 53) = ( 0.4885058 0.0229885 -0.0000000), wk = 0.0026667 k( 54) = ( 0.4827586 0.0344828 0.0000000), wk = 0.0026667 k( 55) = ( 0.4770115 0.0459770 -0.0000000), wk = 0.0026667 k( 56) = ( 0.4712644 0.0574713 0.0000000), wk = 0.0026667 k( 57) = ( 0.4655172 0.0689655 -0.0000000), wk = 0.0026667 k( 58) = ( 0.4597701 0.0804598 0.0000000), wk = 0.0026667 k( 59) = ( 0.4540230 0.0919540 0.0000000), wk = 0.0026667 k( 60) = ( 0.4482759 0.1034483 0.0000000), wk = 0.0026667 k( 61) = ( 0.4425287 0.1149425 -0.0000000), wk = 0.0026667 k( 62) = ( 0.4367816 0.1264368 -0.0000000), wk = 0.0026667 k( 63) = ( 0.4310345 0.1379310 -0.0000000), wk = 0.0026667 k( 64) = ( 0.4252874 0.1494253 0.0000000), wk = 0.0026667 k( 65) = ( 0.4195402 0.1609195 -0.0000000), wk = 0.0026667 k( 66) = ( 0.4137931 0.1724138 -0.0000000), wk = 0.0026667 k( 67) = ( 0.4080460 0.1839081 -0.0000000), wk = 0.0026667 k( 68) = ( 0.4022988 0.1954023 0.0000000), wk = 0.0026667 k( 69) = ( 0.3965517 0.2068966 0.0000000), wk = 0.0026667 k( 70) = ( 0.3908046 0.2183908 0.0000000), wk = 0.0026667 k( 71) = ( 0.3850575 0.2298851 0.0000000), wk = 0.0026667 k( 72) = ( 0.3793103 0.2413793 -0.0000000), wk = 0.0026667 k( 73) = ( 0.3735632 0.2528736 0.0000000), wk = 0.0026667 k( 74) = ( 0.3678161 0.2643678 0.0000000), wk = 0.0026667 k( 75) = ( 0.3620690 0.2758621 0.0000000), wk = 0.0026667 k( 76) = ( 0.3563218 0.2873563 0.0000000), wk = 0.0026667 k( 77) = ( 0.3505747 0.2988506 -0.0000000), wk = 0.0026667 k( 78) = ( 0.3448276 0.3103448 0.0000000), wk = 0.0026667 k( 79) = ( 0.3390805 0.3218391 -0.0000000), wk = 0.0026667 k( 80) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026667 k( 81) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026667 k( 82) = ( 0.3274854 0.3274854 -0.0000000), wk = 0.0026667 k( 83) = ( 0.3216374 0.3216374 -0.0000000), wk = 0.0026667 k( 84) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0026667 k( 85) = ( 0.3099415 0.3099415 -0.0000000), wk = 0.0026667 k( 86) = ( 0.3040936 0.3040936 0.0000000), wk = 0.0026667 k( 87) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0026667 k( 88) = ( 0.2923977 0.2923977 -0.0000000), wk = 0.0026667 k( 89) = ( 0.2865497 0.2865497 0.0000000), wk = 0.0026667 k( 90) = ( 0.2807018 0.2807018 0.0000000), wk = 0.0026667 k( 91) = ( 0.2748538 0.2748538 -0.0000000), wk = 0.0026667 k( 92) = ( 0.2690058 0.2690059 0.0000000), wk = 0.0026667 k( 93) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0026667 k( 94) = ( 0.2573099 0.2573099 -0.0000000), wk = 0.0026667 k( 95) = ( 0.2514620 0.2514620 0.0000000), wk = 0.0026667 k( 96) = ( 0.2456140 0.2456140 0.0000000), wk = 0.0026667 k( 97) = ( 0.2397661 0.2397661 0.0000000), wk = 0.0026667 k( 98) = ( 0.2339181 0.2339181 0.0000000), wk = 0.0026667 k( 99) = ( 0.2280702 0.2280702 0.0000000), wk = 0.0026667 k( 100) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0026667 k( 101) = ( 0.2163743 0.2163743 0.0000000), wk = 0.0026667 k( 102) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0026667 k( 103) = ( 0.2046784 0.2046784 0.0000000), wk = 0.0026667 k( 104) = ( 0.1988304 0.1988304 -0.0000000), wk = 0.0026667 k( 105) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0026667 k( 106) = ( 0.1871345 0.1871345 0.0000000), wk = 0.0026667 k( 107) = ( 0.1812865 0.1812866 0.0000000), wk = 0.0026667 k( 108) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0026667 k( 109) = ( 0.1695906 0.1695906 0.0000000), wk = 0.0026667 k( 110) = ( 0.1637427 0.1637427 -0.0000000), wk = 0.0026667 k( 111) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0026667 k( 112) = ( 0.1520468 0.1520468 0.0000000), wk = 0.0026667 k( 113) = ( 0.1461988 0.1461988 -0.0000000), wk = 0.0026667 k( 114) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0026667 k( 115) = ( 0.1345029 0.1345029 -0.0000000), wk = 0.0026667 k( 116) = ( 0.1286550 0.1286550 -0.0000000), wk = 0.0026667 k( 117) = ( 0.1228070 0.1228070 0.0000000), wk = 0.0026667 k( 118) = ( 0.1169591 0.1169591 0.0000000), wk = 0.0026667 k( 119) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0026667 k( 120) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0026667 k( 121) = ( 0.0994152 0.0994152 0.0000000), wk = 0.0026667 k( 122) = ( 0.0935673 0.0935673 0.0000000), wk = 0.0026667 k( 123) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0026667 k( 124) = ( 0.0818713 0.0818713 -0.0000000), wk = 0.0026667 k( 125) = ( 0.0760234 0.0760234 0.0000000), wk = 0.0026667 k( 126) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0026667 k( 127) = ( 0.0643275 0.0643275 0.0000000), wk = 0.0026667 k( 128) = ( 0.0584795 0.0584795 0.0000000), wk = 0.0026667 k( 129) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0026667 k( 130) = ( 0.0467836 0.0467836 0.0000000), wk = 0.0026667 k( 131) = ( 0.0409357 0.0409357 -0.0000000), wk = 0.0026667 k( 132) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0026667 k( 133) = ( 0.0292398 0.0292398 0.0000000), wk = 0.0026667 k( 134) = ( 0.0233918 0.0233918 0.0000000), wk = 0.0026667 k( 135) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0026667 k( 136) = ( 0.0116959 0.0116959 -0.0000000), wk = 0.0026667 k( 137) = ( 0.0058480 0.0058480 0.0000000), wk = 0.0026667 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 140) = ( 0.0000000 0.0000000 0.0156250), wk = 0.0026667 k( 141) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0026667 k( 142) = ( 0.0000000 0.0000000 0.0468750), wk = 0.0026667 k( 143) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0026667 k( 144) = ( 0.0000000 0.0000000 0.0781250), wk = 0.0026667 k( 145) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0026667 k( 146) = ( 0.0000000 0.0000000 0.1093750), wk = 0.0026667 k( 147) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0026667 k( 148) = ( 0.0000000 0.0000000 0.1406250), wk = 0.0026667 k( 149) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0026667 k( 150) = ( 0.0000000 0.0000000 0.1718750), wk = 0.0026667 k( 151) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0026667 k( 152) = ( 0.0000000 0.0000000 0.2031250), wk = 0.0026667 k( 153) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0026667 k( 154) = ( 0.0000000 0.0000000 0.2343750), wk = 0.0026667 k( 155) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026667 k( 156) = ( 0.0000000 0.0000000 0.2656250), wk = 0.0026667 k( 157) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0026667 k( 158) = ( 0.0000000 0.0000000 0.2968750), wk = 0.0026667 k( 159) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0026667 k( 160) = ( 0.0000000 0.0000000 0.3281250), wk = 0.0026667 k( 161) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0026667 k( 162) = ( 0.0000000 0.0000000 0.3593750), wk = 0.0026667 k( 163) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0026667 k( 164) = ( 0.0000000 0.0000000 0.3906250), wk = 0.0026667 k( 165) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0026667 k( 166) = ( 0.0000000 0.0000000 0.4218750), wk = 0.0026667 k( 167) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0026667 k( 168) = ( 0.0000000 0.0000000 0.4531250), wk = 0.0026667 k( 169) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0026667 k( 170) = ( 0.0000000 0.0000000 0.4843750), wk = 0.0026667 k( 171) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026667 k( 172) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026667 k( 173) = ( 0.0102041 -0.0000000 0.5000000), wk = 0.0026667 k( 174) = ( 0.0204082 -0.0000000 0.5000000), wk = 0.0026667 k( 175) = ( 0.0306122 -0.0000000 0.5000000), wk = 0.0026667 k( 176) = ( 0.0408163 -0.0000000 0.5000000), wk = 0.0026667 k( 177) = ( 0.0510204 -0.0000000 0.5000000), wk = 0.0026667 k( 178) = ( 0.0612245 0.0000000 0.5000000), wk = 0.0026667 k( 179) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0026667 k( 180) = ( 0.0816327 -0.0000000 0.5000000), wk = 0.0026667 k( 181) = ( 0.0918367 0.0000000 0.5000000), wk = 0.0026667 k( 182) = ( 0.1020408 -0.0000000 0.5000000), wk = 0.0026667 k( 183) = ( 0.1122449 0.0000000 0.5000000), wk = 0.0026667 k( 184) = ( 0.1224490 0.0000000 0.5000000), wk = 0.0026667 k( 185) = ( 0.1326531 0.0000000 0.5000000), wk = 0.0026667 k( 186) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0026667 k( 187) = ( 0.1530612 0.0000000 0.5000000), wk = 0.0026667 k( 188) = ( 0.1632653 -0.0000000 0.5000000), wk = 0.0026667 k( 189) = ( 0.1734694 0.0000000 0.5000000), wk = 0.0026667 k( 190) = ( 0.1836735 0.0000000 0.5000000), wk = 0.0026667 k( 191) = ( 0.1938776 0.0000000 0.5000000), wk = 0.0026667 k( 192) = ( 0.2040816 -0.0000000 0.5000000), wk = 0.0026667 k( 193) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0026667 k( 194) = ( 0.2244898 0.0000000 0.5000000), wk = 0.0026667 k( 195) = ( 0.2346939 0.0000000 0.5000000), wk = 0.0026667 k( 196) = ( 0.2448980 0.0000000 0.5000000), wk = 0.0026667 k( 197) = ( 0.2551020 0.0000000 0.5000000), wk = 0.0026667 k( 198) = ( 0.2653061 0.0000000 0.5000000), wk = 0.0026667 k( 199) = ( 0.2755102 0.0000000 0.5000000), wk = 0.0026667 k( 200) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0026667 k( 201) = ( 0.2959184 0.0000000 0.5000000), wk = 0.0026667 k( 202) = ( 0.3061224 0.0000000 0.5000000), wk = 0.0026667 k( 203) = ( 0.3163265 -0.0000000 0.5000000), wk = 0.0026667 k( 204) = ( 0.3265306 -0.0000000 0.5000000), wk = 0.0026667 k( 205) = ( 0.3367347 0.0000000 0.5000000), wk = 0.0026667 k( 206) = ( 0.3469388 0.0000000 0.5000000), wk = 0.0026667 k( 207) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0026667 k( 208) = ( 0.3673469 0.0000000 0.5000000), wk = 0.0026667 k( 209) = ( 0.3775510 0.0000000 0.5000000), wk = 0.0026667 k( 210) = ( 0.3877551 0.0000000 0.5000000), wk = 0.0026667 k( 211) = ( 0.3979592 -0.0000000 0.5000000), wk = 0.0026667 k( 212) = ( 0.4081633 -0.0000000 0.5000000), wk = 0.0026667 k( 213) = ( 0.4183674 0.0000000 0.5000000), wk = 0.0026667 k( 214) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0026667 k( 215) = ( 0.4387755 0.0000000 0.5000000), wk = 0.0026667 k( 216) = ( 0.4489796 -0.0000000 0.5000000), wk = 0.0026667 k( 217) = ( 0.4591837 -0.0000000 0.5000000), wk = 0.0026667 k( 218) = ( 0.4693878 0.0000000 0.5000000), wk = 0.0026667 k( 219) = ( 0.4795918 0.0000000 0.5000000), wk = 0.0026667 k( 220) = ( 0.4897959 0.0000000 0.5000000), wk = 0.0026667 k( 221) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026667 k( 222) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026667 k( 223) = ( 0.4942529 0.0114943 0.5000000), wk = 0.0026667 k( 224) = ( 0.4885058 0.0229885 0.5000000), wk = 0.0026667 k( 225) = ( 0.4827586 0.0344828 0.5000000), wk = 0.0026667 k( 226) = ( 0.4770115 0.0459770 0.5000000), wk = 0.0026667 k( 227) = ( 0.4712644 0.0574713 0.5000000), wk = 0.0026667 k( 228) = ( 0.4655172 0.0689655 0.5000000), wk = 0.0026667 k( 229) = ( 0.4597701 0.0804598 0.5000000), wk = 0.0026667 k( 230) = ( 0.4540230 0.0919540 0.5000000), wk = 0.0026667 k( 231) = ( 0.4482759 0.1034483 0.5000000), wk = 0.0026667 k( 232) = ( 0.4425287 0.1149425 0.5000000), wk = 0.0026667 k( 233) = ( 0.4367816 0.1264368 0.5000000), wk = 0.0026667 k( 234) = ( 0.4310345 0.1379310 0.5000000), wk = 0.0026667 k( 235) = ( 0.4252874 0.1494253 0.5000000), wk = 0.0026667 k( 236) = ( 0.4195402 0.1609195 0.5000000), wk = 0.0026667 k( 237) = ( 0.4137931 0.1724138 0.5000000), wk = 0.0026667 k( 238) = ( 0.4080460 0.1839081 0.5000000), wk = 0.0026667 k( 239) = ( 0.4022988 0.1954023 0.5000000), wk = 0.0026667 k( 240) = ( 0.3965517 0.2068966 0.5000000), wk = 0.0026667 k( 241) = ( 0.3908046 0.2183908 0.5000000), wk = 0.0026667 k( 242) = ( 0.3850575 0.2298851 0.5000000), wk = 0.0026667 k( 243) = ( 0.3793103 0.2413793 0.5000000), wk = 0.0026667 k( 244) = ( 0.3735632 0.2528736 0.5000000), wk = 0.0026667 k( 245) = ( 0.3678161 0.2643678 0.5000000), wk = 0.0026667 k( 246) = ( 0.3620690 0.2758621 0.5000000), wk = 0.0026667 k( 247) = ( 0.3563218 0.2873563 0.5000000), wk = 0.0026667 k( 248) = ( 0.3505747 0.2988506 0.5000000), wk = 0.0026667 k( 249) = ( 0.3448276 0.3103448 0.5000000), wk = 0.0026667 k( 250) = ( 0.3390805 0.3218391 0.5000000), wk = 0.0026667 k( 251) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026667 k( 252) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026667 k( 253) = ( 0.3274854 0.3274854 0.5000000), wk = 0.0026667 k( 254) = ( 0.3216374 0.3216374 0.5000000), wk = 0.0026667 k( 255) = ( 0.3157895 0.3157895 0.5000000), wk = 0.0026667 k( 256) = ( 0.3099415 0.3099415 0.5000000), wk = 0.0026667 k( 257) = ( 0.3040936 0.3040936 0.5000000), wk = 0.0026667 k( 258) = ( 0.2982456 0.2982456 0.5000000), wk = 0.0026667 k( 259) = ( 0.2923977 0.2923977 0.5000000), wk = 0.0026667 k( 260) = ( 0.2865497 0.2865497 0.5000000), wk = 0.0026667 k( 261) = ( 0.2807018 0.2807018 0.5000000), wk = 0.0026667 k( 262) = ( 0.2748538 0.2748538 0.5000000), wk = 0.0026667 k( 263) = ( 0.2690058 0.2690059 0.5000000), wk = 0.0026667 k( 264) = ( 0.2631579 0.2631579 0.5000000), wk = 0.0026667 k( 265) = ( 0.2573099 0.2573099 0.5000000), wk = 0.0026667 k( 266) = ( 0.2514620 0.2514620 0.5000000), wk = 0.0026667 k( 267) = ( 0.2456140 0.2456140 0.5000000), wk = 0.0026667 k( 268) = ( 0.2397661 0.2397661 0.5000000), wk = 0.0026667 k( 269) = ( 0.2339181 0.2339181 0.5000000), wk = 0.0026667 k( 270) = ( 0.2280702 0.2280702 0.5000000), wk = 0.0026667 k( 271) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0026667 k( 272) = ( 0.2163743 0.2163743 0.5000000), wk = 0.0026667 k( 273) = ( 0.2105263 0.2105263 0.5000000), wk = 0.0026667 k( 274) = ( 0.2046784 0.2046784 0.5000000), wk = 0.0026667 k( 275) = ( 0.1988304 0.1988304 0.5000000), wk = 0.0026667 k( 276) = ( 0.1929825 0.1929825 0.5000000), wk = 0.0026667 k( 277) = ( 0.1871345 0.1871345 0.5000000), wk = 0.0026667 k( 278) = ( 0.1812865 0.1812866 0.5000000), wk = 0.0026667 k( 279) = ( 0.1754386 0.1754386 0.5000000), wk = 0.0026667 k( 280) = ( 0.1695906 0.1695906 0.5000000), wk = 0.0026667 k( 281) = ( 0.1637427 0.1637427 0.5000000), wk = 0.0026667 k( 282) = ( 0.1578947 0.1578947 0.5000000), wk = 0.0026667 k( 283) = ( 0.1520468 0.1520468 0.5000000), wk = 0.0026667 k( 284) = ( 0.1461988 0.1461988 0.5000000), wk = 0.0026667 k( 285) = ( 0.1403509 0.1403509 0.5000000), wk = 0.0026667 k( 286) = ( 0.1345029 0.1345029 0.5000000), wk = 0.0026667 k( 287) = ( 0.1286550 0.1286550 0.5000000), wk = 0.0026667 k( 288) = ( 0.1228070 0.1228070 0.5000000), wk = 0.0026667 k( 289) = ( 0.1169591 0.1169591 0.5000000), wk = 0.0026667 k( 290) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0026667 k( 291) = ( 0.1052632 0.1052632 0.5000000), wk = 0.0026667 k( 292) = ( 0.0994152 0.0994152 0.5000000), wk = 0.0026667 k( 293) = ( 0.0935673 0.0935673 0.5000000), wk = 0.0026667 k( 294) = ( 0.0877193 0.0877193 0.5000000), wk = 0.0026667 k( 295) = ( 0.0818713 0.0818713 0.5000000), wk = 0.0026667 k( 296) = ( 0.0760234 0.0760234 0.5000000), wk = 0.0026667 k( 297) = ( 0.0701754 0.0701754 0.5000000), wk = 0.0026667 k( 298) = ( 0.0643275 0.0643275 0.5000000), wk = 0.0026667 k( 299) = ( 0.0584795 0.0584795 0.5000000), wk = 0.0026667 k( 300) = ( 0.0526316 0.0526316 0.5000000), wk = 0.0026667 k( 301) = ( 0.0467836 0.0467836 0.5000000), wk = 0.0026667 k( 302) = ( 0.0409357 0.0409357 0.5000000), wk = 0.0026667 k( 303) = ( 0.0350877 0.0350877 0.5000000), wk = 0.0026667 k( 304) = ( 0.0292398 0.0292398 0.5000000), wk = 0.0026667 k( 305) = ( 0.0233918 0.0233918 0.5000000), wk = 0.0026667 k( 306) = ( 0.0175439 0.0175439 0.5000000), wk = 0.0026667 k( 307) = ( 0.0116959 0.0116959 0.5000000), wk = 0.0026667 k( 308) = ( 0.0058480 0.0058480 0.5000000), wk = 0.0026667 k( 309) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026667 k( 310) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026667 k( 311) = ( 0.5000000 0.0000000 0.4843750), wk = 0.0026667 k( 312) = ( 0.5000000 0.0000000 0.4687500), wk = 0.0026667 k( 313) = ( 0.5000000 0.0000000 0.4531250), wk = 0.0026667 k( 314) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0026667 k( 315) = ( 0.5000000 0.0000000 0.4218750), wk = 0.0026667 k( 316) = ( 0.5000000 0.0000000 0.4062500), wk = 0.0026667 k( 317) = ( 0.5000000 0.0000000 0.3906250), wk = 0.0026667 k( 318) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0026667 k( 319) = ( 0.5000000 0.0000000 0.3593750), wk = 0.0026667 k( 320) = ( 0.5000000 0.0000000 0.3437500), wk = 0.0026667 k( 321) = ( 0.5000000 0.0000000 0.3281250), wk = 0.0026667 k( 322) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0026667 k( 323) = ( 0.5000000 0.0000000 0.2968750), wk = 0.0026667 k( 324) = ( 0.5000000 0.0000000 0.2812500), wk = 0.0026667 k( 325) = ( 0.5000000 0.0000000 0.2656250), wk = 0.0026667 k( 326) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0026667 k( 327) = ( 0.5000000 0.0000000 0.2343750), wk = 0.0026667 k( 328) = ( 0.5000000 0.0000000 0.2187500), wk = 0.0026667 k( 329) = ( 0.5000000 0.0000000 0.2031250), wk = 0.0026667 k( 330) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0026667 k( 331) = ( 0.5000000 0.0000000 0.1718750), wk = 0.0026667 k( 332) = ( 0.5000000 0.0000000 0.1562500), wk = 0.0026667 k( 333) = ( 0.5000000 0.0000000 0.1406250), wk = 0.0026667 k( 334) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0026667 k( 335) = ( 0.5000000 0.0000000 0.1093750), wk = 0.0026667 k( 336) = ( 0.5000000 0.0000000 0.0937500), wk = 0.0026667 k( 337) = ( 0.5000000 0.0000000 0.0781250), wk = 0.0026667 k( 338) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0026667 k( 339) = ( 0.5000000 0.0000000 0.0468750), wk = 0.0026667 k( 340) = ( 0.5000000 0.0000000 0.0312500), wk = 0.0026667 k( 341) = ( 0.5000000 0.0000000 0.0156250), wk = 0.0026667 k( 342) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026667 k( 343) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026667 k( 344) = ( 0.3333333 0.3333333 0.0156250), wk = 0.0026667 k( 345) = ( 0.3333333 0.3333333 0.0312500), wk = 0.0026667 k( 346) = ( 0.3333333 0.3333333 0.0468750), wk = 0.0026667 k( 347) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0026667 k( 348) = ( 0.3333333 0.3333333 0.0781250), wk = 0.0026667 k( 349) = ( 0.3333333 0.3333333 0.0937500), wk = 0.0026667 k( 350) = ( 0.3333333 0.3333333 0.1093750), wk = 0.0026667 k( 351) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0026667 k( 352) = ( 0.3333333 0.3333333 0.1406250), wk = 0.0026667 k( 353) = ( 0.3333333 0.3333333 0.1562500), wk = 0.0026667 k( 354) = ( 0.3333333 0.3333333 0.1718750), wk = 0.0026667 k( 355) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0026667 k( 356) = ( 0.3333333 0.3333333 0.2031250), wk = 0.0026667 k( 357) = ( 0.3333333 0.3333333 0.2187500), wk = 0.0026667 k( 358) = ( 0.3333333 0.3333333 0.2343750), wk = 0.0026667 k( 359) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0026667 k( 360) = ( 0.3333333 0.3333333 0.2656250), wk = 0.0026667 k( 361) = ( 0.3333333 0.3333333 0.2812500), wk = 0.0026667 k( 362) = ( 0.3333333 0.3333333 0.2968750), wk = 0.0026667 k( 363) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0026667 k( 364) = ( 0.3333333 0.3333333 0.3281250), wk = 0.0026667 k( 365) = ( 0.3333333 0.3333333 0.3437500), wk = 0.0026667 k( 366) = ( 0.3333333 0.3333333 0.3593750), wk = 0.0026667 k( 367) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0026667 k( 368) = ( 0.3333333 0.3333333 0.3906250), wk = 0.0026667 k( 369) = ( 0.3333333 0.3333333 0.4062500), wk = 0.0026667 k( 370) = ( 0.3333333 0.3333333 0.4218750), wk = 0.0026667 k( 371) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0026667 k( 372) = ( 0.3333333 0.3333333 0.4531250), wk = 0.0026667 k( 373) = ( 0.3333333 0.3333333 0.4687500), wk = 0.0026667 k( 374) = ( 0.3333333 0.3333333 0.4843750), wk = 0.0026667 k( 375) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026667 Dense grid: 62493 G-vectors FFT dimensions: ( 48, 48, 64) Smooth grid: 14577 G-vectors FFT dimensions: ( 30, 30, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 114, 30) NL pseudopotentials 0.05 Mb ( 57, 62) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1735) G-vector shells 0.01 Mb ( 805) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.21 Mb ( 114, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.06 Mb ( 62, 2, 30) The potential is recalculated from file : ./PtSe2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 1.9 secs Computing kpt #: 3 total cpu time spent up to now is 2.1 secs Computing kpt #: 4 total cpu time spent up to now is 2.2 secs Computing kpt #: 5 total cpu time spent up to now is 2.3 secs Computing kpt #: 6 total cpu time spent up to now is 2.5 secs Computing kpt #: 7 total cpu time spent up to now is 2.6 secs Computing kpt #: 8 total cpu time spent up to now is 2.8 secs Computing kpt #: 9 total cpu time spent up to now is 2.9 secs Computing kpt #: 10 total cpu time spent up to now is 3.1 secs Computing kpt #: 11 total cpu time spent up to now is 3.2 secs Computing kpt #: 12 total cpu time spent up to now is 3.4 secs Computing kpt #: 13 total cpu time spent up to now is 3.5 secs Computing kpt #: 14 total cpu time spent up to now is 3.7 secs Computing kpt #: 15 total cpu time spent up to now is 3.8 secs Computing kpt #: 16 total cpu time spent up to now is 4.0 secs Computing kpt #: 17 total cpu time spent up to now is 4.1 secs Computing kpt #: 18 total cpu time spent up to now is 4.3 secs Computing kpt #: 19 total cpu time spent up to now is 4.4 secs Computing kpt #: 20 total cpu time spent up to now is 4.6 secs Computing kpt #: 21 total cpu time spent up to now is 4.7 secs Computing kpt #: 22 total cpu time spent up to now is 4.9 secs Computing kpt #: 23 total cpu time spent up to now is 5.0 secs Computing kpt #: 24 total cpu time spent up to now is 5.2 secs Computing kpt #: 25 total cpu time spent up to now is 5.4 secs Computing kpt #: 26 total cpu time spent up to now is 5.5 secs Computing kpt #: 27 total cpu time spent up to now is 5.7 secs Computing kpt #: 28 total cpu time spent up to now is 5.8 secs Computing kpt #: 29 total cpu time spent up to now is 6.0 secs Computing kpt #: 30 total cpu time spent up to now is 6.2 secs Computing kpt #: 31 total cpu time spent up to now is 6.3 secs Computing kpt #: 32 total cpu time spent up to now is 6.5 secs Computing kpt #: 33 total cpu time spent up to now is 6.6 secs Computing kpt #: 34 total cpu time spent up to now is 6.8 secs Computing kpt #: 35 total cpu time spent up to now is 6.9 secs Computing kpt #: 36 total cpu time spent up to now is 7.1 secs Computing kpt #: 37 total cpu time spent up to now is 7.2 secs Computing kpt #: 38 total cpu time spent up to now is 7.4 secs Computing kpt #: 39 total cpu time spent up to now is 7.5 secs Computing kpt #: 40 total cpu time spent up to now is 7.7 secs Computing kpt #: 41 total cpu time spent up to now is 7.9 secs Computing kpt #: 42 total cpu time spent up to now is 8.0 secs Computing kpt #: 43 total cpu time spent up to now is 8.2 secs Computing kpt #: 44 total cpu time spent up to now is 8.3 secs Computing kpt #: 45 total cpu time spent up to now is 8.5 secs Computing kpt #: 46 total cpu time spent up to now is 8.6 secs Computing kpt #: 47 total cpu time spent up to now is 8.7 secs Computing kpt #: 48 total cpu time spent up to now is 8.9 secs Computing kpt #: 49 total cpu time spent up to now is 9.0 secs Computing kpt #: 50 total cpu time spent up to now is 9.2 secs Computing kpt #: 51 total cpu time spent up to now is 9.3 secs Computing kpt #: 52 total cpu time spent up to now is 9.5 secs Computing kpt #: 53 total cpu time spent up to now is 9.6 secs Computing kpt #: 54 total cpu time spent up to now is 9.7 secs Computing kpt #: 55 total cpu time spent up to now is 9.9 secs Computing kpt #: 56 total cpu time spent up to now is 10.1 secs Computing kpt #: 57 total cpu time spent up to now is 10.2 secs Computing kpt #: 58 total cpu time spent up to now is 10.4 secs Computing kpt #: 59 total cpu time spent up to now is 10.6 secs Computing kpt #: 60 total cpu time spent up to now is 10.8 secs Computing kpt #: 61 total cpu time spent up to now is 10.9 secs Computing kpt #: 62 total cpu time spent up to now is 11.1 secs Computing kpt #: 63 total cpu time spent up to now is 11.3 secs Computing kpt #: 64 total cpu time spent up to now is 11.4 secs Computing kpt #: 65 total cpu time spent up to now is 11.6 secs Computing kpt #: 66 total cpu time spent up to now is 11.8 secs Computing kpt #: 67 total cpu time spent up to now is 12.0 secs Computing kpt #: 68 total cpu time spent up to now is 12.1 secs Computing kpt #: 69 total cpu time spent up to now is 12.3 secs Computing kpt #: 70 total cpu time spent up to now is 12.5 secs Computing kpt #: 71 total cpu time spent up to now is 12.6 secs Computing kpt #: 72 total cpu time spent up to now is 12.8 secs Computing kpt #: 73 total cpu time spent up to now is 13.0 secs Computing kpt #: 74 total cpu time spent up to now is 13.1 secs Computing kpt #: 75 total cpu time spent up to now is 13.3 secs Computing kpt #: 76 total cpu time spent up to now is 13.5 secs Computing kpt #: 77 total cpu time spent up to now is 13.6 secs Computing kpt #: 78 total cpu time spent up to now is 13.8 secs Computing kpt #: 79 total cpu time spent up to now is 14.0 secs Computing kpt #: 80 total cpu time spent up to now is 14.1 secs Computing kpt #: 81 total cpu time spent up to now is 14.3 secs Computing kpt #: 82 total cpu time spent up to now is 14.5 secs Computing kpt #: 83 total cpu time spent up to now is 14.6 secs Computing kpt #: 84 total cpu time spent up to now is 14.8 secs Computing kpt #: 85 total cpu time spent up to now is 15.0 secs Computing kpt #: 86 total cpu time spent up to now is 15.1 secs Computing kpt #: 87 total cpu time spent up to now is 15.3 secs Computing kpt #: 88 total cpu time spent up to now is 15.5 secs Computing kpt #: 89 total cpu time spent up to now is 15.6 secs Computing kpt #: 90 total cpu time spent up to now is 15.8 secs Computing kpt #: 91 total cpu time spent up to now is 16.0 secs Computing kpt #: 92 total cpu time spent up to now is 16.2 secs Computing kpt #: 93 total cpu time spent up to now is 16.3 secs Computing kpt #: 94 total cpu time spent up to now is 16.5 secs Computing kpt #: 95 total cpu time spent up to now is 16.7 secs Computing kpt #: 96 total cpu time spent up to now is 16.9 secs Computing kpt #: 97 total cpu time spent up to now is 17.1 secs Computing kpt #: 98 total cpu time spent up to now is 17.3 secs Computing kpt #: 99 total cpu time spent up to now is 17.5 secs Computing kpt #: 100 total cpu time spent up to now is 17.8 secs Computing kpt #: 101 total cpu time spent up to now is 18.0 secs Computing kpt #: 102 total cpu time spent up to now is 18.3 secs Computing kpt #: 103 total cpu time spent up to now is 18.5 secs Computing kpt #: 104 total cpu time spent up to now is 18.7 secs Computing kpt #: 105 total cpu time spent up to now is 19.0 secs Computing kpt #: 106 total cpu time spent up to now is 19.2 secs Computing kpt #: 107 total cpu time spent up to now is 19.3 secs Computing kpt #: 108 total cpu time spent up to now is 19.5 secs Computing kpt #: 109 total cpu time spent up to now is 19.7 secs Computing kpt #: 110 total cpu time spent up to now is 19.9 secs Computing kpt #: 111 total cpu time spent up to now is 20.0 secs Computing kpt #: 112 total cpu time spent up to now is 20.2 secs Computing kpt #: 113 total cpu time spent up to now is 20.3 secs Computing kpt #: 114 total cpu time spent up to now is 20.5 secs Computing kpt #: 115 total cpu time spent up to now is 20.7 secs Computing kpt #: 116 total cpu time spent up to now is 20.8 secs Computing kpt #: 117 total cpu time spent up to now is 21.0 secs Computing kpt #: 118 total cpu time spent up to now is 21.1 secs Computing kpt #: 119 total cpu time spent up to now is 21.3 secs Computing kpt #: 120 total cpu time spent up to now is 21.5 secs Computing kpt #: 121 total cpu time spent up to now is 21.6 secs Computing kpt #: 122 total cpu time spent up to now is 21.8 secs Computing kpt #: 123 total cpu time spent up to now is 21.9 secs Computing kpt #: 124 total cpu time spent up to now is 22.1 secs Computing kpt #: 125 total cpu time spent up to now is 22.2 secs Computing kpt #: 126 total cpu time spent up to now is 22.4 secs Computing kpt #: 127 total cpu time spent up to now is 22.5 secs Computing kpt #: 128 total cpu time spent up to now is 22.7 secs Computing kpt #: 129 total cpu time spent up to now is 22.9 secs Computing kpt #: 130 total cpu time spent up to now is 23.0 secs Computing kpt #: 131 total cpu time spent up to now is 23.1 secs Computing kpt #: 132 total cpu time spent up to now is 23.3 secs Computing kpt #: 133 total cpu time spent up to now is 23.4 secs Computing kpt #: 134 total cpu time spent up to now is 23.6 secs Computing kpt #: 135 total cpu time spent up to now is 23.7 secs Computing kpt #: 136 total cpu time spent up to now is 23.8 secs Computing kpt #: 137 total cpu time spent up to now is 24.0 secs Computing kpt #: 138 total cpu time spent up to now is 24.1 secs Computing kpt #: 139 total cpu time spent up to now is 24.3 secs Computing kpt #: 140 total cpu time spent up to now is 24.4 secs Computing kpt #: 141 total cpu time spent up to now is 24.5 secs Computing kpt #: 142 total cpu time spent up to now is 24.7 secs Computing kpt #: 143 total cpu time spent up to now is 24.8 secs Computing kpt #: 144 total cpu time spent up to now is 25.0 secs Computing kpt #: 145 total cpu time spent up to now is 25.1 secs Computing kpt #: 146 total cpu time spent up to now is 25.2 secs Computing kpt #: 147 total cpu time spent up to now is 25.4 secs Computing kpt #: 148 total cpu time spent up to now is 25.5 secs Computing kpt #: 149 total cpu time spent up to now is 25.7 secs Computing kpt #: 150 total cpu time spent up to now is 25.8 secs Computing kpt #: 151 total cpu time spent up to now is 25.9 secs Computing kpt #: 152 total cpu time spent up to now is 26.1 secs Computing kpt #: 153 total cpu time spent up to now is 26.2 secs Computing kpt #: 154 total cpu time spent up to now is 26.4 secs Computing kpt #: 155 total cpu time spent up to now is 26.5 secs Computing kpt #: 156 total cpu time spent up to now is 26.7 secs Computing kpt #: 157 total cpu time spent up to now is 26.9 secs Computing kpt #: 158 total cpu time spent up to now is 27.0 secs Computing kpt #: 159 total cpu time spent up to now is 27.2 secs Computing kpt #: 160 total cpu time spent up to now is 27.3 secs Computing kpt #: 161 total cpu time spent up to now is 27.5 secs Computing kpt #: 162 total cpu time spent up to now is 27.7 secs Computing kpt #: 163 total cpu time spent up to now is 27.8 secs Computing kpt #: 164 total cpu time spent up to now is 28.0 secs Computing kpt #: 165 total cpu time spent up to now is 28.2 secs Computing kpt #: 166 total cpu time spent up to now is 28.4 secs Computing kpt #: 167 total cpu time spent up to now is 28.6 secs Computing kpt #: 168 total cpu time spent up to now is 28.9 secs Computing kpt #: 169 total cpu time spent up to now is 29.0 secs Computing kpt #: 170 total cpu time spent up to now is 29.2 secs Computing kpt #: 171 total cpu time spent up to now is 29.4 secs Computing kpt #: 172 total cpu time spent up to now is 29.6 secs Computing kpt #: 173 total cpu time spent up to now is 29.7 secs Computing kpt #: 174 total cpu time spent up to now is 30.0 secs Computing kpt #: 175 total cpu time spent up to now is 30.1 secs Computing kpt #: 176 total cpu time spent up to now is 30.3 secs Computing kpt #: 177 total cpu time spent up to now is 30.6 secs Computing kpt #: 178 total cpu time spent up to now is 30.7 secs Computing kpt #: 179 total cpu time spent up to now is 31.0 secs Computing kpt #: 180 total cpu time spent up to now is 31.1 secs Computing kpt #: 181 total cpu time spent up to now is 31.3 secs Computing kpt #: 182 total cpu time spent up to now is 31.5 secs Computing kpt #: 183 total cpu time spent up to now is 31.7 secs Computing kpt #: 184 total cpu time spent up to now is 31.8 secs Computing kpt #: 185 total cpu time spent up to now is 32.0 secs Computing kpt #: 186 total cpu time spent up to now is 32.1 secs Computing kpt #: 187 total cpu time spent up to now is 32.3 secs Computing kpt #: 188 total cpu time spent up to now is 32.4 secs Computing kpt #: 189 total cpu time spent up to now is 32.6 secs Computing kpt #: 190 total cpu time spent up to now is 32.7 secs Computing kpt #: 191 total cpu time spent up to now is 32.9 secs Computing kpt #: 192 total cpu time spent up to now is 33.0 secs Computing kpt #: 193 total cpu time spent up to now is 33.2 secs Computing kpt #: 194 total cpu time spent up to now is 33.3 secs Computing kpt #: 195 total cpu time spent up to now is 33.5 secs Computing kpt #: 196 total cpu time spent up to now is 33.6 secs Computing kpt #: 197 total cpu time spent up to now is 33.8 secs Computing kpt #: 198 total cpu time spent up to now is 33.9 secs Computing kpt #: 199 total cpu time spent up to now is 34.1 secs Computing kpt #: 200 total cpu time spent up to now is 34.3 secs Computing kpt #: 201 total cpu time spent up to now is 34.4 secs Computing kpt #: 202 total cpu time spent up to now is 34.6 secs Computing kpt #: 203 total cpu time spent up to now is 34.7 secs Computing kpt #: 204 total cpu time spent up to now is 34.9 secs Computing kpt #: 205 total cpu time spent up to now is 35.0 secs Computing kpt #: 206 total cpu time spent up to now is 35.2 secs Computing kpt #: 207 total cpu time spent up to now is 35.3 secs Computing kpt #: 208 total cpu time spent up to now is 35.5 secs Computing kpt #: 209 total cpu time spent up to now is 35.6 secs Computing kpt #: 210 total cpu time spent up to now is 35.8 secs Computing kpt #: 211 total cpu time spent up to now is 35.9 secs Computing kpt #: 212 total cpu time spent up to now is 36.0 secs Computing kpt #: 213 total cpu time spent up to now is 36.2 secs Computing kpt #: 214 total cpu time spent up to now is 36.3 secs Computing kpt #: 215 total cpu time spent up to now is 36.5 secs Computing kpt #: 216 total cpu time spent up to now is 36.6 secs Computing kpt #: 217 total cpu time spent up to now is 36.8 secs Computing kpt #: 218 total cpu time spent up to now is 36.9 secs Computing kpt #: 219 total cpu time spent up to now is 37.0 secs Computing kpt #: 220 total cpu time spent up to now is 37.2 secs Computing kpt #: 221 total cpu time spent up to now is 37.3 secs Computing kpt #: 222 total cpu time spent up to now is 37.5 secs Computing kpt #: 223 total cpu time spent up to now is 37.6 secs Computing kpt #: 224 total cpu time spent up to now is 37.7 secs Computing kpt #: 225 total cpu time spent up to now is 37.9 secs Computing kpt #: 226 total cpu time spent up to now is 38.0 secs Computing kpt #: 227 total cpu time spent up to now is 38.2 secs Computing kpt #: 228 total cpu time spent up to now is 38.3 secs Computing kpt #: 229 total cpu time spent up to now is 38.4 secs Computing kpt #: 230 total cpu time spent up to now is 38.6 secs Computing kpt #: 231 total cpu time spent up to now is 38.7 secs Computing kpt #: 232 total cpu time spent up to now is 38.9 secs Computing kpt #: 233 total cpu time spent up to now is 39.0 secs Computing kpt #: 234 total cpu time spent up to now is 39.2 secs Computing kpt #: 235 total cpu time spent up to now is 39.3 secs Computing kpt #: 236 total cpu time spent up to now is 39.5 secs Computing kpt #: 237 total cpu time spent up to now is 39.6 secs Computing kpt #: 238 total cpu time spent up to now is 39.8 secs Computing kpt #: 239 total cpu time spent up to now is 39.9 secs Computing kpt #: 240 total cpu time spent up to now is 40.1 secs Computing kpt #: 241 total cpu time spent up to now is 40.2 secs Computing kpt #: 242 total cpu time spent up to now is 40.4 secs Computing kpt #: 243 total cpu time spent up to now is 40.6 secs Computing kpt #: 244 total cpu time spent up to now is 40.7 secs Computing kpt #: 245 total cpu time spent up to now is 40.9 secs Computing kpt #: 246 total cpu time spent up to now is 41.1 secs Computing kpt #: 247 total cpu time spent up to now is 41.2 secs Computing kpt #: 248 total cpu time spent up to now is 41.4 secs Computing kpt #: 249 total cpu time spent up to now is 41.6 secs Computing kpt #: 250 total cpu time spent up to now is 41.7 secs Computing kpt #: 251 total cpu time spent up to now is 42.0 secs Computing kpt #: 252 total cpu time spent up to now is 42.1 secs Computing kpt #: 253 total cpu time spent up to now is 42.3 secs Computing kpt #: 254 total cpu time spent up to now is 42.5 secs Computing kpt #: 255 total cpu time spent up to now is 42.6 secs Computing kpt #: 256 total cpu time spent up to now is 42.8 secs Computing kpt #: 257 total cpu time spent up to now is 43.0 secs Computing kpt #: 258 total cpu time spent up to now is 43.2 secs Computing kpt #: 259 total cpu time spent up to now is 43.3 secs Computing kpt #: 260 total cpu time spent up to now is 43.5 secs Computing kpt #: 261 total cpu time spent up to now is 43.7 secs Computing kpt #: 262 total cpu time spent up to now is 43.8 secs Computing kpt #: 263 total cpu time spent up to now is 44.0 secs Computing kpt #: 264 total cpu time spent up to now is 44.2 secs Computing kpt #: 265 total cpu time spent up to now is 44.3 secs Computing kpt #: 266 total cpu time spent up to now is 44.5 secs Computing kpt #: 267 total cpu time spent up to now is 44.7 secs Computing kpt #: 268 total cpu time spent up to now is 44.8 secs Computing kpt #: 269 total cpu time spent up to now is 45.0 secs Computing kpt #: 270 total cpu time spent up to now is 45.1 secs Computing kpt #: 271 total cpu time spent up to now is 45.3 secs Computing kpt #: 272 total cpu time spent up to now is 45.5 secs Computing kpt #: 273 total cpu time spent up to now is 45.6 secs Computing kpt #: 274 total cpu time spent up to now is 45.8 secs Computing kpt #: 275 total cpu time spent up to now is 46.3 secs Computing kpt #: 276 total cpu time spent up to now is 46.5 secs Computing kpt #: 277 total cpu time spent up to now is 46.6 secs Computing kpt #: 278 total cpu time spent up to now is 46.8 secs Computing kpt #: 279 total cpu time spent up to now is 46.9 secs Computing kpt #: 280 total cpu time spent up to now is 47.1 secs Computing kpt #: 281 total cpu time spent up to now is 47.2 secs Computing kpt #: 282 total cpu time spent up to now is 47.4 secs Computing kpt #: 283 total cpu time spent up to now is 47.5 secs Computing kpt #: 284 total cpu time spent up to now is 47.7 secs Computing kpt #: 285 total cpu time spent up to now is 47.8 secs Computing kpt #: 286 total cpu time spent up to now is 48.0 secs Computing kpt #: 287 total cpu time spent up to now is 48.1 secs Computing kpt #: 288 total cpu time spent up to now is 48.3 secs Computing kpt #: 289 total cpu time spent up to now is 48.4 secs Computing kpt #: 290 total cpu time spent up to now is 48.6 secs Computing kpt #: 291 total cpu time spent up to now is 48.7 secs Computing kpt #: 292 total cpu time spent up to now is 48.9 secs Computing kpt #: 293 total cpu time spent up to now is 49.0 secs Computing kpt #: 294 total cpu time spent up to now is 49.2 secs Computing kpt #: 295 total cpu time spent up to now is 49.3 secs Computing kpt #: 296 total cpu time spent up to now is 49.5 secs Computing kpt #: 297 total cpu time spent up to now is 49.7 secs Computing kpt #: 298 total cpu time spent up to now is 49.8 secs Computing kpt #: 299 total cpu time spent up to now is 50.0 secs Computing kpt #: 300 total cpu time spent up to now is 50.1 secs Computing kpt #: 301 total cpu time spent up to now is 50.3 secs Computing kpt #: 302 total cpu time spent up to now is 50.5 secs Computing kpt #: 303 total cpu time spent up to now is 50.7 secs Computing kpt #: 304 total cpu time spent up to now is 50.9 secs Computing kpt #: 305 total cpu time spent up to now is 51.1 secs Computing kpt #: 306 total cpu time spent up to now is 51.3 secs Computing kpt #: 307 total cpu time spent up to now is 51.5 secs Computing kpt #: 308 total cpu time spent up to now is 51.7 secs Computing kpt #: 309 total cpu time spent up to now is 51.9 secs Computing kpt #: 310 total cpu time spent up to now is 52.1 secs Computing kpt #: 311 total cpu time spent up to now is 52.2 secs Computing kpt #: 312 total cpu time spent up to now is 52.3 secs Computing kpt #: 313 total cpu time spent up to now is 52.5 secs Computing kpt #: 314 total cpu time spent up to now is 52.6 secs Computing kpt #: 315 total cpu time spent up to now is 52.8 secs Computing kpt #: 316 total cpu time spent up to now is 52.9 secs Computing kpt #: 317 total cpu time spent up to now is 53.1 secs Computing kpt #: 318 total cpu time spent up to now is 53.2 secs Computing kpt #: 319 total cpu time spent up to now is 53.3 secs Computing kpt #: 320 total cpu time spent up to now is 53.5 secs Computing kpt #: 321 total cpu time spent up to now is 53.6 secs Computing kpt #: 322 total cpu time spent up to now is 53.8 secs Computing kpt #: 323 total cpu time spent up to now is 53.9 secs Computing kpt #: 324 total cpu time spent up to now is 54.0 secs Computing kpt #: 325 total cpu time spent up to now is 54.2 secs Computing kpt #: 326 total cpu time spent up to now is 54.3 secs Computing kpt #: 327 total cpu time spent up to now is 54.5 secs Computing kpt #: 328 total cpu time spent up to now is 54.6 secs Computing kpt #: 329 total cpu time spent up to now is 54.7 secs Computing kpt #: 330 total cpu time spent up to now is 54.9 secs Computing kpt #: 331 total cpu time spent up to now is 55.0 secs Computing kpt #: 332 total cpu time spent up to now is 55.2 secs Computing kpt #: 333 total cpu time spent up to now is 55.3 secs Computing kpt #: 334 total cpu time spent up to now is 55.5 secs Computing kpt #: 335 total cpu time spent up to now is 55.6 secs Computing kpt #: 336 total cpu time spent up to now is 55.8 secs Computing kpt #: 337 total cpu time spent up to now is 55.9 secs Computing kpt #: 338 total cpu time spent up to now is 56.0 secs Computing kpt #: 339 total cpu time spent up to now is 56.2 secs Computing kpt #: 340 total cpu time spent up to now is 56.3 secs Computing kpt #: 341 total cpu time spent up to now is 56.5 secs Computing kpt #: 342 total cpu time spent up to now is 56.6 secs Computing kpt #: 343 total cpu time spent up to now is 56.8 secs Computing kpt #: 344 total cpu time spent up to now is 57.0 secs Computing kpt #: 345 total cpu time spent up to now is 57.1 secs Computing kpt #: 346 total cpu time spent up to now is 57.3 secs Computing kpt #: 347 total cpu time spent up to now is 57.5 secs Computing kpt #: 348 total cpu time spent up to now is 57.7 secs Computing kpt #: 349 total cpu time spent up to now is 57.8 secs Computing kpt #: 350 total cpu time spent up to now is 58.0 secs Computing kpt #: 351 total cpu time spent up to now is 58.2 secs Computing kpt #: 352 total cpu time spent up to now is 58.4 secs Computing kpt #: 353 total cpu time spent up to now is 58.6 secs Computing kpt #: 354 total cpu time spent up to now is 58.7 secs Computing kpt #: 355 total cpu time spent up to now is 58.9 secs Computing kpt #: 356 total cpu time spent up to now is 59.2 secs Computing kpt #: 357 total cpu time spent up to now is 59.4 secs Computing kpt #: 358 total cpu time spent up to now is 59.6 secs Computing kpt #: 359 total cpu time spent up to now is 59.8 secs Computing kpt #: 360 total cpu time spent up to now is 60.0 secs Computing kpt #: 361 total cpu time spent up to now is 60.3 secs Computing kpt #: 362 total cpu time spent up to now is 60.5 secs Computing kpt #: 363 total cpu time spent up to now is 60.8 secs Computing kpt #: 364 total cpu time spent up to now is 61.0 secs Computing kpt #: 365 total cpu time spent up to now is 61.3 secs Computing kpt #: 366 total cpu time spent up to now is 61.5 secs Computing kpt #: 367 total cpu time spent up to now is 61.7 secs Computing kpt #: 368 total cpu time spent up to now is 62.0 secs Computing kpt #: 369 total cpu time spent up to now is 62.2 secs Computing kpt #: 370 total cpu time spent up to now is 62.4 secs Computing kpt #: 371 total cpu time spent up to now is 62.6 secs Computing kpt #: 372 total cpu time spent up to now is 62.8 secs Computing kpt #: 373 total cpu time spent up to now is 63.0 secs Computing kpt #: 374 total cpu time spent up to now is 63.3 secs Computing kpt #: 375 total cpu time spent up to now is 63.4 secs ethr = 4.55E-08, avg # of iterations = 17.0 total cpu time spent up to now is 63.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1789 PWs) bands (ev): -5.6470 -5.6470 -2.8209 -2.8209 2.8165 2.8165 3.2960 3.2960 3.6237 3.6237 5.8163 5.8163 6.1106 6.1106 7.5957 7.5957 8.6977 8.6977 9.2577 9.2577 10.5476 10.5476 11.5026 11.5026 11.6112 11.6112 13.6379 13.6379 14.2898 14.2898 k = 0.0102 0.0059-0.0000 ( 1797 PWs) bands (ev): -5.6458 -5.6458 -2.8215 -2.8215 2.8179 2.8179 3.2968 3.2968 3.6245 3.6245 5.8153 5.8153 6.1094 6.1094 7.5931 7.5931 8.6950 8.6950 9.2543 9.2543 10.5447 10.5447 11.5001 11.5001 11.6095 11.6095 13.6487 13.6487 14.2973 14.2973 k = 0.0204 0.0118-0.0000 ( 1797 PWs) bands (ev): -5.6423 -5.6423 -2.8232 -2.8232 2.8220 2.8220 3.2991 3.2991 3.6270 3.6270 5.8122 5.8122 6.1058 6.1058 7.5853 7.5853 8.6870 8.6870 9.2444 9.2444 10.5357 10.5357 11.4925 11.4925 11.6052 11.6052 13.6806 13.6806 14.3197 14.3197 k = 0.0306 0.0177-0.0000 ( 1797 PWs) bands (ev): -5.6364 -5.6364 -2.8259 -2.8259 2.8289 2.8289 3.3030 3.3030 3.6311 3.6311 5.8069 5.8069 6.0999 6.0999 7.5721 7.5721 8.6738 8.6738 9.2283 9.2283 10.5204 10.5204 11.4797 11.4797 11.6001 11.6001 13.7320 13.7320 14.3568 14.3568 k = 0.0408 0.0236-0.0000 ( 1803 PWs) bands (ev): -5.6281 -5.6281 -2.8297 -2.8297 2.8385 2.8385 3.3085 3.3085 3.6370 3.6370 5.7995 5.7995 6.0916 6.0916 7.5536 7.5536 8.6552 8.6552 9.2069 9.2069 10.4984 10.4984 11.4620 11.4620 11.5960 11.5960 13.8004 13.8004 14.4080 14.4080 k = 0.0510 0.0295-0.0000 ( 1805 PWs) bands (ev): -5.6175 -5.6175 -2.8346 -2.8346 2.8508 2.8508 3.3155 3.3155 3.6444 3.6444 5.7899 5.7899 6.0810 6.0810 7.5295 7.5295 8.6317 8.6317 9.1812 9.1812 10.4691 10.4691 11.4413 11.4413 11.5940 11.5940 13.8828 13.8828 14.4727 14.4727 k = 0.0612 0.0353-0.0000 ( 1809 PWs) bands (ev): -5.6046 -5.6046 -2.8406 -2.8406 2.8658 2.8658 3.3241 3.3241 3.6535 3.6535 5.7779 5.7779 6.0683 6.0683 7.4997 7.4997 8.6035 8.6035 9.1520 9.1520 10.4320 10.4320 11.4197 11.4197 11.5942 11.5942 13.9764 13.9764 14.5499 14.5499 k = 0.0714 0.0412-0.0000 ( 1813 PWs) bands (ev): -5.5894 -5.5894 -2.8476 -2.8476 2.8834 2.8834 3.3342 3.3342 3.6642 3.6642 5.7634 5.7634 6.0534 6.0534 7.4642 7.4642 8.5711 8.5711 9.1202 9.1202 10.3868 10.3868 11.3998 11.3998 11.5965 11.5965 14.0782 14.0782 14.6385 14.6385 k = 0.0816 0.0471-0.0000 ( 1811 PWs) bands (ev): -5.5720 -5.5720 -2.8555 -2.8555 2.9035 2.9035 3.3458 3.3458 3.6765 3.6765 5.7463 5.7463 6.0365 6.0365 7.4230 7.4230 8.5352 8.5352 9.0865 9.0865 10.3335 10.3335 11.3830 11.3830 11.6008 11.6008 14.1854 14.1854 14.7371 14.7371 k = 0.0918 0.0530-0.0000 ( 1817 PWs) bands (ev): -5.5522 -5.5522 -2.8645 -2.8645 2.9262 2.9262 3.3589 3.3589 3.6903 3.6903 5.7261 5.7261 6.0178 6.0178 7.3764 7.3764 8.4967 8.4967 9.0512 9.0512 10.2723 10.2723 11.3706 11.3706 11.6070 11.6070 14.2957 14.2957 14.8437 14.8437 k = 0.1020 0.0589-0.0000 ( 1813 PWs) bands (ev): -5.5303 -5.5303 -2.8744 -2.8744 2.9513 2.9513 3.3735 3.3735 3.7057 3.7057 5.7026 5.7026 5.9976 5.9976 7.3247 7.3247 8.4565 8.4565 9.0145 9.0145 10.2039 10.2039 11.3629 11.3629 11.6151 11.6151 14.4068 14.4068 14.9559 14.9559 k = 0.1122 0.0648-0.0000 ( 1811 PWs) bands (ev): -5.5061 -5.5061 -2.8852 -2.8852 2.9788 2.9788 3.3896 3.3896 3.7226 3.7226 5.6752 5.6752 5.9761 5.9761 7.2686 7.2686 8.4153 8.4153 8.9765 8.9765 10.1290 10.1290 11.3598 11.3598 11.6251 11.6251 14.5165 14.5165 15.0709 15.0709 k = 0.1224 0.0707-0.0000 ( 1807 PWs) bands (ev): -5.4798 -5.4798 -2.8969 -2.8969 3.0085 3.0085 3.4072 3.4072 3.7410 3.7410 5.6433 5.6433 5.9538 5.9538 7.2089 7.2089 8.3738 8.3738 8.9371 8.9371 10.0486 10.0486 11.3608 11.3608 11.6369 11.6369 14.6224 14.6224 15.1856 15.1856 k = 0.1327 0.0766-0.0000 ( 1807 PWs) bands (ev): -5.4514 -5.4514 -2.9095 -2.9095 3.0403 3.0403 3.4264 3.4264 3.7608 3.7608 5.6065 5.6065 5.9311 5.9311 7.1467 7.1467 8.3325 8.3325 8.8962 8.8962 9.9636 9.9636 11.3654 11.3654 11.6505 11.6505 14.7217 14.7217 15.2972 15.2972 k = 0.1429 0.0825-0.0000 ( 1805 PWs) bands (ev): -5.4209 -5.4209 -2.9228 -2.9228 3.0739 3.0739 3.4470 3.4470 3.7820 3.7820 5.5639 5.5639 5.9085 5.9085 7.0831 7.0831 8.2915 8.2915 8.8536 8.8536 9.8748 9.8748 11.3726 11.3726 11.6660 11.6660 14.8108 14.8108 15.4039 15.4039 k = 0.1531 0.0884-0.0000 ( 1803 PWs) bands (ev): -5.3885 -5.3885 -2.9369 -2.9369 3.1093 3.1093 3.4693 3.4693 3.8045 3.8045 5.5152 5.5152 5.8865 5.8865 7.0194 7.0194 8.2510 8.2510 8.8091 8.8091 9.7833 9.7833 11.3817 11.3817 11.6831 11.6831 14.8857 14.8857 15.5055 15.5055 k = 0.1633 0.0943-0.0000 ( 1793 PWs) bands (ev): -5.3540 -5.3540 -2.9517 -2.9517 3.1461 3.1461 3.4932 3.4932 3.8283 3.8283 5.4600 5.4600 5.8654 5.8654 6.9568 6.9568 8.2108 8.2108 8.7628 8.7628 9.6897 9.6897 11.3919 11.3919 11.7019 11.7019 14.9424 14.9424 15.6043 15.6043 k = 0.1735 0.1002-0.0000 ( 1797 PWs) bands (ev): -5.3177 -5.3177 -2.9672 -2.9672 3.1840 3.1840 3.5188 3.5188 3.8533 3.8533 5.3981 5.3981 5.8457 5.8457 6.8962 6.8962 8.1706 8.1706 8.7145 8.7145 9.5947 9.5947 11.4023 11.4023 11.7222 11.7222 14.9785 14.9785 15.7033 15.7033 k = 0.1837 0.1060-0.0000 ( 1795 PWs) bands (ev): -5.2795 -5.2795 -2.9834 -2.9834 3.2226 3.2226 3.5464 3.5464 3.8794 3.8794 5.3299 5.3299 5.8275 5.8275 6.8386 6.8386 8.1303 8.1303 8.6643 8.6643 9.4989 9.4989 11.4121 11.4121 11.7439 11.7439 14.9943 14.9943 15.8047 15.8047 k = 0.1939 0.1119-0.0000 ( 1803 PWs) bands (ev): -5.2396 -5.2396 -3.0001 -3.0001 3.2614 3.2614 3.5760 3.5760 3.9065 3.9065 5.2559 5.2559 5.8110 5.8110 6.7845 6.7845 8.0893 8.0893 8.6123 8.6123 9.4028 9.4028 11.4205 11.4205 11.7671 11.7671 14.9923 14.9923 15.9091 15.9091 k = 0.2041 0.1178-0.0000 ( 1799 PWs) bands (ev): -5.1980 -5.1980 -3.0175 -3.0175 3.2997 3.2997 3.6079 3.6079 3.9345 3.9345 5.1768 5.1768 5.7963 5.7963 6.7343 6.7343 8.0473 8.0473 8.5584 8.5584 9.3070 9.3070 11.4267 11.4267 11.7916 11.7916 14.9768 14.9768 16.0151 16.0151 k = 0.2143 0.1237-0.0000 ( 1802 PWs) bands (ev): -5.1548 -5.1548 -3.0353 -3.0353 3.3370 3.3370 3.6423 3.6423 3.9630 3.9630 5.0939 5.0939 5.7836 5.7836 6.6882 6.6882 8.0040 8.0040 8.5029 8.5029 9.2117 9.2117 11.4299 11.4299 11.8174 11.8174 14.9519 14.9519 16.1205 16.1205 k = 0.2245 0.1296-0.0000 ( 1806 PWs) bands (ev): -5.1100 -5.1100 -3.0537 -3.0537 3.3725 3.3725 3.6795 3.6795 3.9919 3.9919 5.0087 5.0087 5.7729 5.7729 6.6461 6.6461 7.9588 7.9588 8.4459 8.4459 9.1175 9.1175 11.4296 11.4296 11.8444 11.8444 14.9215 14.9215 16.2224 16.2224 k = 0.2347 0.1355-0.0000 ( 1814 PWs) bands (ev): -5.0638 -5.0638 -3.0726 -3.0726 3.4054 3.4054 3.7194 3.7194 4.0205 4.0205 4.9229 4.9229 5.7643 5.7643 6.6080 6.6080 7.9116 7.9116 8.3874 8.3874 9.0247 9.0247 11.4252 11.4252 11.8726 11.8726 14.8886 14.8886 16.3174 16.3174 k = 0.2449 0.1414-0.0000 ( 1818 PWs) bands (ev): -5.0163 -5.0163 -3.0919 -3.0919 3.4349 3.4349 3.7621 3.7621 4.0480 4.0480 4.8389 4.8389 5.7580 5.7580 6.5736 6.5736 7.8618 7.8618 8.3277 8.3277 8.9334 8.9334 11.4165 11.4165 11.9018 11.9018 14.8556 14.8556 16.4020 16.4020 k = 0.2551 0.1473-0.0000 ( 1814 PWs) bands (ev): -4.9676 -4.9676 -3.1116 -3.1116 3.4603 3.4603 3.8073 3.8073 4.0733 4.0733 4.7598 4.7598 5.7540 5.7540 6.5426 6.5426 7.8094 7.8094 8.2667 8.2667 8.8440 8.8440 11.4031 11.4031 11.9318 11.9318 14.8243 14.8243 16.4729 16.4729 k = 0.2653 0.1532-0.0000 ( 1818 PWs) bands (ev): -4.9177 -4.9177 -3.1317 -3.1317 3.4805 3.4805 3.8543 3.8543 4.0943 4.0943 4.6893 4.6893 5.7523 5.7523 6.5147 6.5147 7.7542 7.7542 8.2047 8.2047 8.7565 8.7565 11.3852 11.3852 11.9626 11.9626 14.7959 14.7959 16.5271 16.5271 k = 0.2755 0.1591-0.0000 ( 1818 PWs) bands (ev): -4.8669 -4.8669 -3.1523 -3.1523 3.4946 3.4946 3.9021 3.9021 4.1088 4.1088 4.6328 4.6328 5.7532 5.7532 6.4897 6.4897 7.6960 7.6960 8.1417 8.1417 8.6710 8.6710 11.3630 11.3630 11.9939 11.9939 14.7714 14.7714 16.5627 16.5627 k = 0.2857 0.1650-0.0000 ( 1822 PWs) bands (ev): -4.8151 -4.8151 -3.1732 -3.1732 3.5012 3.5012 3.9486 3.9486 4.1150 4.1150 4.5955 4.5955 5.7567 5.7567 6.4673 6.4673 7.6350 7.6350 8.0778 8.0778 8.5876 8.5876 11.3366 11.3366 12.0255 12.0255 14.7511 14.7511 16.5793 16.5793 k = 0.2959 0.1708-0.0000 ( 1822 PWs) bands (ev): -4.7626 -4.7626 -3.1945 -3.1945 3.4987 3.4987 3.9890 3.9890 4.1164 4.1164 4.5810 4.5810 5.7627 5.7627 6.4473 6.4473 7.5713 7.5713 8.0130 8.0130 8.5060 8.5060 11.3067 11.3067 12.0572 12.0572 14.7354 14.7354 16.5783 16.5783 k = 0.3061 0.1767-0.0000 ( 1822 PWs) bands (ev): -4.7095 -4.7095 -3.2162 -3.2162 3.4855 3.4855 4.0123 4.0123 4.1263 4.1263 4.5889 4.5889 5.7715 5.7715 6.4294 6.4294 7.5050 7.5050 7.9475 7.9475 8.4262 8.4262 11.2738 11.2738 12.0887 12.0887 14.7242 14.7242 16.5619 16.5619 k = 0.3163 0.1826-0.0000 ( 1826 PWs) bands (ev): -4.6558 -4.6558 -3.2384 -3.2384 3.4604 3.4604 4.0122 4.0122 4.1566 4.1566 4.6152 4.6152 5.7829 5.7829 6.4136 6.4136 7.4366 7.4366 7.8814 7.8814 8.3479 8.3479 11.2386 11.2386 12.1199 12.1199 14.7174 14.7174 16.5330 16.5330 k = 0.3265 0.1885-0.0000 ( 1820 PWs) bands (ev): -4.6019 -4.6019 -3.2609 -3.2609 3.4232 3.4232 4.0012 4.0012 4.1992 4.1992 4.6556 4.6556 5.7969 5.7969 6.3996 6.3996 7.3663 7.3663 7.8148 7.8148 8.2708 8.2708 11.2017 11.2017 12.1506 12.1506 14.7147 14.7147 16.4946 16.4946 k = 0.3367 0.1944-0.0000 ( 1820 PWs) bands (ev): -4.5477 -4.5477 -3.2839 -3.2839 3.3753 3.3753 3.9903 3.9903 4.2459 4.2459 4.7064 4.7064 5.8135 5.8135 6.3875 6.3875 7.2944 7.2944 7.7480 7.7480 8.1948 8.1948 11.1639 11.1639 12.1805 12.1805 14.7156 14.7156 16.4493 16.4493 k = 0.3469 0.2003-0.0000 ( 1812 PWs) bands (ev): -4.4934 -4.4934 -3.3074 -3.3074 3.3191 3.3191 3.9828 3.9828 4.2934 4.2934 4.7652 4.7652 5.8323 5.8323 6.3772 6.3772 7.2214 7.2214 7.6811 7.6811 8.1194 8.1194 11.1258 11.1258 12.2095 12.2095 14.7199 14.7199 16.3993 16.3993 k = 0.3571 0.2062-0.0000 ( 1822 PWs) bands (ev): -4.4393 -4.4393 -3.3314 -3.3314 3.2573 3.2573 3.9790 3.9790 4.3405 4.3405 4.8302 4.8302 5.8533 5.8533 6.3689 6.3689 7.1475 7.1475 7.6143 7.6143 8.0447 8.0447 11.0880 11.0880 12.2374 12.2374 14.7268 14.7268 16.3464 16.3464 k = 0.3673 0.2121-0.0000 ( 1826 PWs) bands (ev): -4.3854 -4.3854 -3.3559 -3.3559 3.1926 3.1926 3.9783 3.9783 4.3865 4.3865 4.9001 4.9001 5.8759 5.8759 6.3627 6.3627 7.0732 7.0732 7.5479 7.5479 7.9704 7.9704 11.0512 11.0512 12.2640 12.2640 14.7361 14.7361 16.2923 16.2923 k = 0.3776 0.2180-0.0000 ( 1826 PWs) bands (ev): -4.3319 -4.3319 -3.3811 -3.3811 3.1272 3.1272 3.9796 3.9796 4.4313 4.4313 4.9738 4.9738 5.8997 5.8997 6.3591 6.3591 6.9987 6.9987 7.4821 7.4821 7.8968 7.8968 11.0159 11.0159 12.2892 12.2892 14.7471 14.7471 16.2381 16.2381 k = 0.3878 0.2239-0.0000 ( 1828 PWs) bands (ev): -4.2790 -4.2790 -3.4069 -3.4069 3.0628 3.0628 3.9823 3.9823 4.4745 4.4745 5.0506 5.0506 5.9240 5.9240 6.3585 6.3585 6.9243 6.9243 7.4172 7.4172 7.8240 7.8240 10.9826 10.9826 12.3129 12.3129 14.7595 14.7595 16.1848 16.1848 k = 0.3980 0.2298-0.0000 ( 1828 PWs) bands (ev): -4.2268 -4.2268 -3.4335 -3.4335 3.0007 3.0007 3.9857 3.9857 4.5159 4.5159 5.1296 5.1296 5.9479 5.9479 6.3615 6.3615 6.8503 6.8503 7.3532 7.3532 7.7524 7.7524 10.9514 10.9514 12.3350 12.3350 14.7728 14.7728 16.1334 16.1334 k = 0.4082 0.2357-0.0000 ( 1826 PWs) bands (ev): -4.1754 -4.1754 -3.4609 -3.4609 2.9421 2.9421 3.9895 3.9895 4.5553 4.5553 5.2100 5.2100 5.9706 5.9706 6.3690 6.3690 6.7769 6.7769 7.2903 7.2903 7.6825 7.6825 10.9229 10.9229 12.3553 12.3553 14.7864 14.7864 16.0846 16.0846 k = 0.4184 0.2415-0.0000 ( 1830 PWs) bands (ev): -4.1251 -4.1251 -3.4891 -3.4891 2.8877 2.8877 3.9932 3.9932 4.5923 4.5923 5.2912 5.2912 5.9911 5.9911 6.3813 6.3813 6.7047 6.7047 7.2286 7.2286 7.6153 7.6153 10.8970 10.8970 12.3736 12.3736 14.8001 14.8001 16.0390 16.0390 k = 0.4286 0.2474-0.0000 ( 1834 PWs) bands (ev): -4.0759 -4.0759 -3.5183 -3.5183 2.8384 2.8384 3.9968 3.9968 4.6266 4.6266 5.3722 5.3722 6.0087 6.0087 6.3986 6.3986 6.6344 6.6344 7.1679 7.1679 7.5518 7.5518 10.8741 10.8741 12.3901 12.3901 14.8133 14.8133 15.9972 15.9972 k = 0.4388 0.2533-0.0000 ( 1834 PWs) bands (ev): -4.0280 -4.0280 -3.5484 -3.5484 2.7946 2.7946 4.0000 4.0000 4.6577 4.6577 5.4521 5.4521 6.0232 6.0232 6.4182 6.4182 6.5692 6.5692 7.1081 7.1081 7.4932 7.4932 10.8542 10.8542 12.4045 12.4045 14.8258 14.8258 15.9598 15.9598 k = 0.4490 0.2592-0.0000 ( 1834 PWs) bands (ev): -3.9815 -3.9815 -3.5794 -3.5794 2.7568 2.7568 4.0028 4.0028 4.6852 4.6852 5.5297 5.5297 6.0352 6.0352 6.4256 6.4256 6.5236 6.5236 7.0492 7.0492 7.4408 7.4408 10.8373 10.8373 12.4168 12.4168 14.8371 14.8371 15.9272 15.9272 k = 0.4592 0.2651-0.0000 ( 1832 PWs) bands (ev): -3.9368 -3.9368 -3.6114 -3.6114 2.7254 2.7254 4.0052 4.0052 4.7086 4.7086 5.6029 5.6029 6.0459 6.0459 6.3899 6.3899 6.5281 6.5281 6.9912 6.9912 7.3960 7.3960 10.8234 10.8234 12.4270 12.4270 14.8470 14.8470 15.8998 15.8998 k = 0.4694 0.2710-0.0000 ( 1836 PWs) bands (ev): -3.8941 -3.8941 -3.6440 -3.6440 2.7007 2.7007 4.0070 4.0070 4.7274 4.7274 5.6691 5.6691 6.0571 6.0571 6.3322 6.3322 6.5614 6.5614 6.9347 6.9347 7.3599 7.3599 10.8127 10.8127 12.4349 12.4349 14.8550 14.8550 15.8781 15.8781 k = 0.4796 0.2769-0.0000 ( 1840 PWs) bands (ev): -3.8543 -3.8543 -3.6764 -3.6764 2.6829 2.6829 4.0083 4.0083 4.7411 4.7411 5.7236 5.7236 6.0713 6.0713 6.2738 6.2738 6.6017 6.6017 6.8817 6.8817 7.3335 7.3335 10.8050 10.8050 12.4406 12.4406 14.8609 14.8609 15.8623 15.8623 k = 0.4898 0.2828-0.0000 ( 1840 PWs) bands (ev): -3.8204 -3.8204 -3.7059 -3.7059 2.6721 2.6721 4.0091 4.0091 4.7496 4.7496 5.7605 5.7605 6.0890 6.0890 6.2248 6.2248 6.6387 6.6387 6.8378 6.8378 7.3174 7.3174 10.8004 10.8004 12.4440 12.4440 14.8645 14.8645 15.8527 15.8527 k = 0.5000 0.2887-0.0000 ( 1840 PWs) bands (ev): -3.8041 -3.8041 -3.7207 -3.7207 2.6685 2.6685 4.0094 4.0094 4.7524 4.7524 5.7737 5.7737 6.0999 6.0999 6.2025 6.2025 6.6559 6.6559 6.8184 6.8184 7.3121 7.3121 10.7989 10.7989 12.4452 12.4452 14.8658 14.8658 15.8495 15.8495 k = 0.5000 0.2887-0.0000 ( 1840 PWs) bands (ev): -3.8041 -3.8041 -3.7207 -3.7207 2.6685 2.6685 4.0094 4.0094 4.7524 4.7524 5.7737 5.7737 6.0999 6.0999 6.2025 6.2025 6.6559 6.6559 6.8184 6.8184 7.3121 7.3121 10.7989 10.7989 12.4452 12.4452 14.8658 14.8658 15.8495 15.8495 k = 0.4943 0.2986-0.0000 ( 1842 PWs) bands (ev): -3.8039 -3.8039 -3.7203 -3.7203 2.6695 2.6695 4.0084 4.0084 4.7524 4.7524 5.7708 5.7708 6.0938 6.0938 6.2036 6.2036 6.6456 6.6456 6.8241 6.8241 7.3272 7.3272 10.7975 10.7975 12.4354 12.4354 14.8645 14.8645 15.8609 15.8609 k = 0.4885 0.3086-0.0000 ( 1836 PWs) bands (ev): -3.8034 -3.8034 -3.7189 -3.7189 2.6723 2.6723 4.0055 4.0055 4.7524 4.7524 5.7621 5.7621 6.0741 6.0741 6.2077 6.2077 6.6220 6.6220 6.8374 6.8374 7.3697 7.3697 10.7932 10.7932 12.4067 12.4067 14.8606 14.8606 15.8944 15.8944 k = 0.4828 0.3185-0.0000 ( 1840 PWs) bands (ev): -3.8025 -3.8025 -3.7166 -3.7166 2.6771 2.6771 4.0006 4.0006 4.7525 4.7525 5.7472 5.7472 6.0387 6.0387 6.2162 6.2162 6.5975 6.5975 6.8534 6.8534 7.4328 7.4328 10.7859 10.7859 12.3603 12.3603 14.8538 14.8538 15.9487 15.9487 k = 0.4770 0.3285-0.0000 ( 1836 PWs) bands (ev): -3.8013 -3.8013 -3.7135 -3.7135 2.6837 2.6837 3.9940 3.9940 4.7527 4.7527 5.7256 5.7256 5.9880 5.9880 6.2300 6.2300 6.5796 6.5796 6.8709 6.8709 7.5095 7.5095 10.7758 10.7758 12.2978 12.2978 14.8437 14.8437 16.0215 16.0215 k = 0.4713 0.3384-0.0000 ( 1836 PWs) bands (ev): -3.7997 -3.7997 -3.7096 -3.7096 2.6922 2.6922 3.9857 3.9857 4.7531 4.7531 5.6957 5.6957 5.9262 5.9262 6.2488 6.2488 6.5703 6.5703 6.8908 6.8908 7.5943 7.5943 10.7628 10.7628 12.2216 12.2216 14.8298 14.8298 16.1097 16.1097 k = 0.4655 0.3484-0.0000 ( 1836 PWs) bands (ev): -3.7978 -3.7978 -3.7049 -3.7049 2.7025 2.7025 3.9758 3.9758 4.7537 4.7537 5.6541 5.6541 5.8609 5.8609 6.2719 6.2719 6.5686 6.5686 6.9139 6.9139 7.6830 7.6830 10.7469 10.7469 12.1338 12.1338 14.8116 14.8116 16.2092 16.2092 k = 0.4598 0.3584-0.0000 ( 1832 PWs) bands (ev): -3.7955 -3.7955 -3.6995 -3.6995 2.7146 2.7146 3.9645 3.9645 4.7544 4.7544 5.5966 5.5966 5.8011 5.8011 6.2982 6.2982 6.5730 6.5730 6.9410 6.9410 7.7730 7.7730 10.7281 10.7281 12.0366 12.0366 14.7888 14.7888 16.3135 16.3135 k = 0.4540 0.3683-0.0000 ( 1828 PWs) bands (ev): -3.7928 -3.7928 -3.6934 -3.6934 2.7284 2.7284 3.9521 3.9521 4.7552 4.7552 5.5220 5.5220 5.7521 5.7521 6.3258 6.3258 6.5822 6.5822 6.9727 6.9727 7.8624 7.8624 10.7063 10.7063 11.9322 11.9322 14.7612 14.7612 16.4111 16.4111 k = 0.4483 0.3783-0.0000 ( 1832 PWs) bands (ev): -3.7897 -3.7897 -3.6869 -3.6869 2.7438 2.7438 3.9388 3.9388 4.7556 4.7556 5.4347 5.4347 5.7127 5.7127 6.3525 6.3525 6.5964 6.5964 7.0089 7.0089 7.9495 7.9495 10.6818 10.6818 11.8222 11.8222 14.7289 14.7289 16.4849 16.4849 k = 0.4425 0.3882-0.0000 ( 1832 PWs) bands (ev): -3.7862 -3.7862 -3.6798 -3.6798 2.7608 2.7608 3.9247 3.9247 4.7548 4.7548 5.3411 5.3411 5.6798 5.6798 6.3757 6.3757 6.6166 6.6166 7.0497 7.0497 8.0334 8.0334 10.6545 10.6545 11.7085 11.7085 14.6924 14.6924 16.5313 16.5313 k = 0.4368 0.3982-0.0000 ( 1832 PWs) bands (ev): -3.7823 -3.7823 -3.6724 -3.6724 2.7793 2.7793 3.9102 3.9102 4.7515 4.7515 5.2467 5.2467 5.6511 5.6511 6.3932 6.3932 6.6441 6.6441 7.0947 7.0947 8.1130 8.1130 10.6246 10.6246 11.5922 11.5922 14.6523 14.6523 16.5664 16.5664 k = 0.4310 0.4081-0.0000 ( 1830 PWs) bands (ev): -3.7780 -3.7780 -3.6647 -3.6647 2.7992 2.7992 3.8954 3.8954 4.7432 4.7432 5.1564 5.1564 5.6252 5.6252 6.4038 6.4038 6.6790 6.6790 7.1434 7.1434 8.1876 8.1876 10.5924 10.5924 11.4749 11.4749 14.6096 14.6096 16.6035 16.6035 k = 0.4253 0.4181-0.0000 ( 1830 PWs) bands (ev): -3.7734 -3.7734 -3.6569 -3.6569 2.8203 2.8203 3.8806 3.8806 4.7255 4.7255 5.0763 5.0763 5.6019 5.6019 6.4078 6.4078 6.7206 6.7206 7.1957 7.1957 8.2564 8.2564 10.5580 10.5580 11.3574 11.3574 14.5651 14.5651 16.6480 16.6480 k = 0.4195 0.4280-0.0000 ( 1826 PWs) bands (ev): -3.7683 -3.7683 -3.6490 -3.6490 2.8425 2.8425 3.8659 3.8659 4.6927 4.6927 5.0133 5.0133 5.5809 5.5809 6.4063 6.4063 6.7674 6.7674 7.2509 7.2509 8.3188 8.3188 10.5220 10.5220 11.2410 11.2410 14.5201 14.5201 16.7014 16.7014 k = 0.4138 0.4380-0.0000 ( 1825 PWs) bands (ev): -3.7629 -3.7629 -3.6412 -3.6412 2.8656 2.8656 3.8516 3.8516 4.6409 4.6409 4.9719 4.9719 5.5622 5.5622 6.4003 6.4003 6.8178 6.8178 7.3087 7.3087 8.3742 8.3742 10.4846 10.4846 11.1264 11.1264 14.4753 14.4753 16.7638 16.7638 k = 0.4080 0.4479-0.0000 ( 1823 PWs) bands (ev): -3.7571 -3.7571 -3.6337 -3.6337 2.8895 2.8895 3.8378 3.8378 4.5731 4.5731 4.9496 4.9496 5.5459 5.5459 6.3909 6.3909 6.8703 6.8703 7.3688 7.3688 8.4219 8.4219 10.4464 10.4464 11.0146 11.0146 14.4317 14.4317 16.8344 16.8344 k = 0.4023 0.4579-0.0000 ( 1823 PWs) bands (ev): -3.7509 -3.7509 -3.6265 -3.6265 2.9139 2.9139 3.8246 3.8246 4.4963 4.4963 4.9402 4.9402 5.5321 5.5321 6.3788 6.3788 6.9238 6.9238 7.4307 7.4307 8.4616 8.4616 10.4080 10.4080 10.9064 10.9064 14.3900 14.3900 16.9123 16.9123 k = 0.3966 0.4679-0.0000 ( 1823 PWs) bands (ev): -3.7443 -3.7443 -3.6198 -3.6198 2.9385 2.9385 3.8120 3.8120 4.4164 4.4164 4.9382 4.9382 5.5209 5.5209 6.3648 6.3648 6.9773 6.9773 7.4942 7.4942 8.4927 8.4927 10.3699 10.3699 10.8029 10.8029 14.3508 14.3508 16.9961 16.9961 k = 0.3908 0.4778-0.0000 ( 1825 PWs) bands (ev): -3.7374 -3.7374 -3.6138 -3.6138 2.9630 2.9630 3.8002 3.8002 4.3373 4.3373 4.9401 4.9401 5.5124 5.5124 6.3492 6.3492 7.0299 7.0299 7.5588 7.5588 8.5148 8.5148 10.3329 10.3329 10.7048 10.7048 14.3145 14.3145 17.0845 17.0845 k = 0.3851 0.4878-0.0000 ( 1821 PWs) bands (ev): -3.7302 -3.7302 -3.6086 -3.6086 2.9871 2.9871 3.7891 3.7891 4.2615 4.2615 4.9440 4.9440 5.5067 5.5067 6.3325 6.3325 7.0807 7.0807 7.6243 7.6243 8.5277 8.5277 10.2972 10.2972 10.6132 10.6132 14.2815 14.2815 17.1758 17.1758 k = 0.3793 0.4977-0.0000 ( 1821 PWs) bands (ev): -3.7226 -3.7226 -3.6043 -3.6043 3.0103 3.0103 3.7786 3.7786 4.1907 4.1907 4.9487 4.9487 5.5037 5.5037 6.3152 6.3152 7.1290 7.1290 7.6901 7.6901 8.5313 8.5313 10.2634 10.2634 10.5293 10.5293 14.2520 14.2520 17.2681 17.2681 k = 0.3736 0.5077-0.0000 ( 1827 PWs) bands (ev): -3.7148 -3.7148 -3.6011 -3.6011 3.0321 3.0321 3.7686 3.7686 4.1265 4.1265 4.9535 4.9535 5.5033 5.5033 6.2978 6.2978 7.1740 7.1740 7.7558 7.7558 8.5255 8.5255 10.2315 10.2315 10.4544 10.4544 14.2260 14.2260 17.3591 17.3591 k = 0.3678 0.5176-0.0000 ( 1827 PWs) bands (ev): -3.7068 -3.7068 -3.5991 -3.5991 3.0520 3.0520 3.7589 3.7589 4.0702 4.0702 4.9580 4.9580 5.5051 5.5051 6.2806 6.2806 7.2148 7.2148 7.8211 7.8211 8.5109 8.5109 10.2015 10.2015 10.3897 10.3897 14.2037 14.2037 17.4462 17.4462 k = 0.3621 0.5276-0.0000 ( 1831 PWs) bands (ev): -3.6986 -3.6986 -3.5984 -3.5984 3.0694 3.0694 3.7494 3.7494 4.0228 4.0228 4.9618 4.9618 5.5088 5.5088 6.2642 6.2642 7.2508 7.2508 7.8854 7.8854 8.4878 8.4878 10.1731 10.1731 10.3366 10.3366 14.1851 14.1851 17.5265 17.5265 k = 0.3563 0.5375-0.0000 ( 1831 PWs) bands (ev): -3.6904 -3.6904 -3.5989 -3.5989 3.0837 3.0837 3.7402 3.7402 3.9851 3.9851 4.9649 4.9649 5.5137 5.5137 6.2492 6.2492 7.2812 7.2812 7.9480 7.9480 8.4575 8.4575 10.1468 10.1468 10.2956 10.2956 14.1700 14.1700 17.5966 17.5966 k = 0.3506 0.5475-0.0000 ( 1831 PWs) bands (ev): -3.6825 -3.6825 -3.6007 -3.6007 3.0947 3.0947 3.7316 3.7316 3.9572 3.9572 4.9673 4.9673 5.5191 5.5191 6.2362 6.2362 7.3054 7.3054 8.0077 8.0077 8.4215 8.4215 10.1236 10.1236 10.2663 10.2663 14.1585 14.1585 17.6534 17.6534 k = 0.3448 0.5574-0.0000 ( 1827 PWs) bands (ev): -3.6752 -3.6752 -3.6034 -3.6034 3.1022 3.1022 3.7245 3.7245 3.9388 3.9388 4.9688 4.9688 5.5241 5.5241 6.2260 6.2260 7.3229 7.3229 8.0621 8.0621 8.3829 8.3829 10.1053 10.1053 10.2471 10.2471 14.1504 14.1504 17.6942 17.6942 k = 0.3391 0.5674-0.0000 ( 1827 PWs) bands (ev): -3.6697 -3.6697 -3.6061 -3.6061 3.1062 3.1062 3.7197 3.7197 3.9286 3.9286 4.9697 4.9697 5.5278 5.5278 6.2194 6.2194 7.3334 7.3334 8.1054 8.1054 8.3485 8.3485 10.0938 10.0938 10.2364 10.2364 14.1456 14.1456 17.7180 17.7180 k = 0.3333 0.5774-0.0000 ( 1827 PWs) bands (ev): -3.6674 -3.6674 -3.6074 -3.6074 3.1073 3.1073 3.7180 3.7180 3.9255 3.9255 4.9700 4.9700 5.5293 5.5293 6.2171 6.2171 7.3369 7.3369 8.1237 8.1237 8.3330 8.3330 10.0899 10.0899 10.2330 10.2330 14.1441 14.1441 17.7255 17.7255 k = 0.3333 0.5774-0.0000 ( 1827 PWs) bands (ev): -3.6674 -3.6674 -3.6074 -3.6074 3.1073 3.1073 3.7180 3.7180 3.9255 3.9255 4.9700 4.9700 5.5293 5.5293 6.2171 6.2171 7.3369 7.3369 8.1237 8.1237 8.3330 8.3330 10.0899 10.0899 10.2330 10.2330 14.1441 14.1441 17.7255 17.7255 k = 0.3275 0.5672-0.0000 ( 1827 PWs) bands (ev): -3.6703 -3.6703 -3.6056 -3.6056 3.1065 3.1065 3.7198 3.7198 3.9283 3.9283 4.9697 4.9697 5.5275 5.5275 6.2197 6.2197 7.3334 7.3334 8.1039 8.1039 8.3502 8.3502 10.0937 10.0937 10.2365 10.2365 14.1456 14.1456 17.7187 17.7187 k = 0.3216 0.5571-0.0000 ( 1827 PWs) bands (ev): -3.6791 -3.6791 -3.6000 -3.6000 3.1047 3.1047 3.7248 3.7248 3.9362 3.9362 4.9690 4.9690 5.5219 5.5219 6.2278 6.2278 7.3235 7.3235 8.0557 8.0557 8.3916 8.3916 10.1041 10.1041 10.2474 10.2474 14.1503 14.1503 17.7008 17.7008 k = 0.3158 0.5470-0.0000 ( 1827 PWs) bands (ev): -3.6929 -3.6929 -3.5915 -3.5915 3.1032 3.1032 3.7325 3.7325 3.9482 3.9482 4.9677 4.9677 5.5119 5.5119 6.2415 6.2415 7.3079 7.3079 7.9938 7.9938 8.4433 8.4433 10.1189 10.1189 10.2668 10.2668 14.1580 14.1580 17.6750 17.6750 k = 0.3099 0.5368-0.0000 ( 1839 PWs) bands (ev): -3.7109 -3.7109 -3.5811 -3.5811 3.1031 3.1031 3.7423 3.7423 3.9636 3.9636 4.9658 4.9658 5.4976 5.4976 6.2607 6.2607 7.2877 7.2877 7.9255 7.9255 8.4991 8.4991 10.1357 10.1357 10.2958 10.2958 14.1685 14.1685 17.6440 17.6440 k = 0.3041 0.5267-0.0000 ( 1835 PWs) bands (ev): -3.7324 -3.7324 -3.5694 -3.5694 3.1053 3.1053 3.7536 3.7536 3.9818 3.9818 4.9634 4.9634 5.4791 5.4791 6.2847 6.2847 7.2640 7.2640 7.8542 7.8542 8.5566 8.5566 10.1524 10.1524 10.3352 10.3352 14.1818 14.1818 17.6104 17.6104 k = 0.2982 0.5166-0.0000 ( 1831 PWs) bands (ev): -3.7571 -3.7571 -3.5569 -3.5569 3.1107 3.1107 3.7658 3.7658 4.0021 4.0021 4.9602 4.9602 5.4570 5.4570 6.3130 6.3130 7.2381 7.2381 7.7817 7.7817 8.6148 8.6148 10.1683 10.1683 10.3844 10.3844 14.1978 14.1978 17.5757 17.5757 k = 0.2924 0.5064-0.0000 ( 1831 PWs) bands (ev): -3.7848 -3.7848 -3.5437 -3.5437 3.1198 3.1198 3.7785 3.7785 4.0240 4.0240 4.9561 4.9561 5.4317 5.4317 6.3446 6.3446 7.2110 7.2110 7.7096 7.7096 8.6731 8.6731 10.1835 10.1835 10.4420 10.4420 14.2165 14.2165 17.5412 17.5412 k = 0.2865 0.4963-0.0000 ( 1827 PWs) bands (ev): -3.8153 -3.8153 -3.5298 -3.5298 3.1331 3.1331 3.7914 3.7914 4.0469 4.0469 4.9507 4.9507 5.4041 5.4041 6.3786 6.3786 7.1840 7.1840 7.6393 7.6393 8.7312 8.7312 10.1984 10.1984 10.5062 10.5062 14.2377 14.2377 17.5081 17.5081 k = 0.2807 0.4862-0.0000 ( 1827 PWs) bands (ev): -3.8484 -3.8484 -3.5155 -3.5155 3.1508 3.1508 3.8041 3.8041 4.0702 4.0702 4.9438 4.9438 5.3749 5.3749 6.4138 6.4138 7.1580 7.1580 7.5722 7.5722 8.7888 8.7888 10.2135 10.2135 10.5758 10.5758 14.2615 14.2615 17.4768 17.4768 k = 0.2749 0.4761-0.0000 ( 1827 PWs) bands (ev): -3.8841 -3.8841 -3.5006 -3.5006 3.1731 3.1731 3.8166 3.8166 4.0933 4.0933 4.9348 4.9348 5.3450 5.3450 6.4491 6.4491 7.1337 7.1337 7.5097 7.5097 8.8458 8.8458 10.2290 10.2290 10.6492 10.6492 14.2877 14.2877 17.4480 17.4480 k = 0.2690 0.4659-0.0000 ( 1829 PWs) bands (ev): -3.9222 -3.9222 -3.4853 -3.4853 3.2000 3.2000 3.8285 3.8285 4.1158 4.1158 4.9234 4.9234 5.3153 5.3153 6.4833 6.4833 7.1116 7.1116 7.4538 7.4538 8.9019 8.9019 10.2452 10.2452 10.7253 10.7253 14.3164 14.3164 17.4222 17.4222 k = 0.2632 0.4558-0.0000 ( 1829 PWs) bands (ev): -3.9626 -3.9626 -3.4696 -3.4696 3.2314 3.2314 3.8399 3.8399 4.1370 4.1370 4.9089 4.9089 5.2868 5.2868 6.5150 6.5150 7.0917 7.0917 7.4065 7.4065 8.9570 8.9570 10.2624 10.2624 10.8031 10.8031 14.3475 14.3475 17.3998 17.3998 k = 0.2573 0.4457-0.0000 ( 1829 PWs) bands (ev): -4.0051 -4.0051 -3.4535 -3.4535 3.2671 3.2671 3.8505 3.8505 4.1565 4.1565 4.8907 4.8907 5.2606 5.2606 6.5429 6.5429 7.0739 7.0739 7.3701 7.3701 9.0110 9.0110 10.2806 10.2806 10.8818 10.8818 14.3809 14.3809 17.3809 17.3809 k = 0.2515 0.4355-0.0000 ( 1823 PWs) bands (ev): -4.0495 -4.0495 -3.4371 -3.4371 3.3066 3.3066 3.8606 3.8606 4.1737 4.1737 4.8685 4.8685 5.2377 5.2377 6.5658 6.5658 7.0579 7.0579 7.3466 7.3466 9.0638 9.0638 10.3000 10.3000 10.9603 10.9603 14.4166 14.4166 17.3660 17.3660 k = 0.2456 0.4254-0.0000 ( 1827 PWs) bands (ev): -4.0956 -4.0956 -3.4203 -3.4203 3.3496 3.3496 3.8701 3.8701 4.1882 4.1882 4.8421 4.8421 5.2187 5.2187 6.5824 6.5824 7.0444 7.0444 7.3372 7.3372 9.1151 9.1151 10.3207 10.3207 11.0381 11.0381 14.4547 14.4547 17.3551 17.3551 k = 0.2398 0.4153-0.0000 ( 1823 PWs) bands (ev): -4.1434 -4.1434 -3.4031 -3.4031 3.3952 3.3952 3.8792 3.8792 4.1994 4.1994 4.8118 4.8118 5.2042 5.2042 6.5921 6.5921 7.0346 7.0346 7.3414 7.3414 9.1650 9.1650 10.3429 10.3429 11.1143 11.1143 14.4949 14.4949 17.3484 17.3484 k = 0.2339 0.4052-0.0000 ( 1819 PWs) bands (ev): -4.1925 -4.1925 -3.3856 -3.3856 3.4425 3.4425 3.8886 3.8886 4.2068 4.2068 4.7783 4.7783 5.1942 5.1942 6.5948 6.5948 7.0307 7.0307 7.3577 7.3577 9.2132 9.2132 10.3667 10.3667 11.1884 11.1884 14.5374 14.5374 17.3459 17.3459 k = 0.2281 0.3950-0.0000 ( 1819 PWs) bands (ev): -4.2429 -4.2429 -3.3679 -3.3679 3.4900 3.4900 3.8989 3.8989 4.2098 4.2098 4.7427 4.7427 5.1888 5.1888 6.5910 6.5910 7.0341 7.0341 7.3838 7.3838 9.2598 9.2598 10.3921 10.3921 11.2596 11.2596 14.5819 14.5819 17.3476 17.3476 k = 0.2222 0.3849-0.0000 ( 1815 PWs) bands (ev): -4.2943 -4.2943 -3.3498 -3.3498 3.5358 3.5358 3.9113 3.9113 4.2081 4.2081 4.7063 4.7063 5.1876 5.1876 6.5823 6.5823 7.0456 7.0456 7.4176 7.4176 9.3046 9.3046 10.4192 10.4192 11.3274 11.3274 14.6285 14.6285 17.3522 17.3522 k = 0.2164 0.3748-0.0000 ( 1821 PWs) bands (ev): -4.3465 -4.3465 -3.3315 -3.3315 3.5773 3.5773 3.9274 3.9274 4.2011 4.2011 4.6707 4.6707 5.1904 5.1904 6.5703 6.5703 7.0652 7.0652 7.4572 7.4572 9.3475 9.3475 10.4482 10.4482 11.3913 11.3913 14.6770 14.6770 17.3547 17.3547 k = 0.2105 0.3646-0.0000 ( 1825 PWs) bands (ev): -4.3994 -4.3994 -3.3130 -3.3130 3.6118 3.6118 3.9487 3.9487 4.1888 4.1888 4.6378 4.6378 5.1970 5.1970 6.5568 6.5568 7.0924 7.0924 7.5011 7.5011 9.3886 9.3886 10.4790 10.4790 11.4507 11.4507 14.7273 14.7273 17.3270 17.3270 k = 0.2047 0.3545-0.0000 ( 1829 PWs) bands (ev): -4.4527 -4.4527 -3.2943 -3.2943 3.6370 3.6370 3.9755 3.9755 4.1711 4.1711 4.6096 4.6096 5.2072 5.2072 6.5435 6.5435 7.1265 7.1265 7.5478 7.5478 9.4278 9.4278 10.5116 10.5116 11.5053 11.5053 14.7794 14.7794 17.2498 17.2498 k = 0.1988 0.3444-0.0000 ( 1821 PWs) bands (ev): -4.5064 -4.5064 -3.2755 -3.2755 3.6519 3.6519 4.0059 4.0059 4.1491 4.1491 4.5885 4.5885 5.2206 5.2206 6.5316 6.5316 7.1669 7.1669 7.5966 7.5966 9.4652 9.4652 10.5461 10.5461 11.5546 11.5546 14.8330 14.8330 17.1574 17.1574 k = 0.1930 0.3343-0.0000 ( 1821 PWs) bands (ev): -4.5602 -4.5602 -3.2565 -3.2565 3.6572 3.6572 4.0329 4.0329 4.1261 4.1261 4.5776 4.5776 5.2371 5.2371 6.5218 6.5218 7.2130 7.2130 7.6466 7.6466 9.5006 9.5006 10.5825 10.5825 11.5983 11.5983 14.8881 14.8881 17.0607 17.0607 k = 0.1871 0.3241-0.0000 ( 1825 PWs) bands (ev): -4.6139 -4.6139 -3.2373 -3.2373 3.6543 3.6543 4.0408 4.0408 4.1139 4.1139 4.5801 4.5801 5.2564 5.2564 6.5148 6.5148 7.2641 7.2641 7.6974 7.6974 9.5341 9.5341 10.6207 10.6207 11.6362 11.6362 14.9444 14.9444 16.9621 16.9621 k = 0.1813 0.3140-0.0000 ( 1821 PWs) bands (ev): -4.6674 -4.6674 -3.2182 -3.2182 3.6449 3.6449 4.0187 4.0187 4.1194 4.1194 4.5985 4.5985 5.2784 5.2784 6.5112 6.5112 7.3198 7.3198 7.7485 7.7485 9.5658 9.5658 10.6606 10.6606 11.6681 11.6681 15.0017 15.0017 16.8623 16.8623 k = 0.1754 0.3039-0.0000 ( 1817 PWs) bands (ev): -4.7206 -4.7206 -3.1989 -3.1989 3.6300 3.6300 3.9823 3.9823 4.1253 4.1253 4.6336 4.6336 5.3028 5.3028 6.5110 6.5110 7.3795 7.3795 7.7998 7.7998 9.5958 9.5958 10.7021 10.7021 11.6940 11.6940 15.0599 15.0599 16.7617 16.7617 k = 0.1696 0.2937-0.0000 ( 1815 PWs) bands (ev): -4.7733 -4.7733 -3.1797 -3.1797 3.6105 3.6105 3.9410 3.9410 4.1235 4.1235 4.6835 4.6835 5.3294 5.3294 6.5146 6.5146 7.4425 7.4425 7.8511 7.8511 9.6242 9.6242 10.7450 10.7450 11.7138 11.7138 15.1186 15.1186 16.6602 16.6602 k = 0.1637 0.2836-0.0000 ( 1817 PWs) bands (ev): -4.8254 -4.8254 -3.1605 -3.1605 3.5871 3.5871 3.8979 3.8979 4.1138 4.1138 4.7449 4.7449 5.3582 5.3582 6.5222 6.5222 7.5083 7.5083 7.9026 7.9026 9.6510 9.6510 10.7892 10.7892 11.7276 11.7276 15.1774 15.1774 16.5580 16.5580 k = 0.1579 0.2735-0.0000 ( 1809 PWs) bands (ev): -4.8766 -4.8766 -3.1414 -3.1414 3.5602 3.5602 3.8545 3.8545 4.0981 4.0981 4.8140 4.8140 5.3890 5.3890 6.5338 6.5338 7.5760 7.5760 7.9544 7.9544 9.6766 9.6766 10.8345 10.8345 11.7356 11.7356 15.2360 15.2360 16.4551 16.4551 k = 0.1520 0.2634-0.0000 ( 1805 PWs) bands (ev): -4.9270 -4.9270 -3.1224 -3.1224 3.5300 3.5300 3.8120 3.8120 4.0781 4.0781 4.8877 4.8877 5.4217 5.4217 6.5496 6.5496 7.6448 7.6448 8.0070 8.0070 9.7010 9.7010 10.8806 10.8806 11.7382 11.7382 15.2937 15.2937 16.3514 16.3514 k = 0.1462 0.2532-0.0000 ( 1801 PWs) bands (ev): -4.9763 -4.9763 -3.1036 -3.1036 3.4969 3.4969 3.7708 3.7708 4.0553 4.0553 4.9636 4.9636 5.4562 5.4562 6.5698 6.5698 7.7136 7.7136 8.0609 8.0609 9.7246 9.7246 10.9272 10.9272 11.7357 11.7357 15.3498 15.3498 16.2472 16.2472 k = 0.1404 0.2431-0.0000 ( 1797 PWs) bands (ev): -5.0246 -5.0246 -3.0850 -3.0850 3.4612 3.4612 3.7315 3.7315 4.0305 4.0305 5.0395 5.0395 5.4924 5.4924 6.5946 6.5946 7.7814 7.7814 8.1167 8.1167 9.7476 9.7476 10.9740 10.9740 11.7285 11.7285 15.4030 15.4030 16.1426 16.1426 k = 0.1345 0.2330-0.0000 ( 1799 PWs) bands (ev): -5.0716 -5.0716 -3.0667 -3.0667 3.4235 3.4235 3.6944 3.6944 4.0046 4.0046 5.1140 5.1140 5.5303 5.5303 6.6241 6.6241 7.8471 7.8471 8.1752 8.1752 9.7705 9.7705 11.0207 11.0207 11.7172 11.7172 15.4514 15.4514 16.0384 16.0384 k = 0.1287 0.2228-0.0000 ( 1799 PWs) bands (ev): -5.1172 -5.1172 -3.0487 -3.0487 3.3842 3.3842 3.6593 3.6593 3.9781 3.9781 5.1856 5.1856 5.5696 5.5696 6.6586 6.6586 7.9096 7.9096 8.2369 8.2369 9.7935 9.7935 11.0668 11.0668 11.7023 11.7023 15.4915 15.4915 15.9364 15.9364 k = 0.1228 0.2127-0.0000 ( 1805 PWs) bands (ev): -5.1614 -5.1614 -3.0310 -3.0310 3.3438 3.3438 3.6264 3.6264 3.9514 3.9514 5.2533 5.2533 5.6101 5.6101 6.6980 6.6980 7.9683 7.9683 8.3019 8.3019 9.8172 9.8172 11.1120 11.1120 11.6845 11.6845 15.5165 15.5165 15.8411 15.8411 k = 0.1170 0.2026-0.0000 ( 1809 PWs) bands (ev): -5.2041 -5.2041 -3.0137 -3.0137 3.3029 3.3029 3.5954 3.5954 3.9247 3.9247 5.3164 5.3164 5.6514 5.6514 6.7424 6.7424 8.0231 8.0231 8.3699 8.3699 9.8421 9.8421 11.1558 11.1558 11.6644 11.6644 15.5126 15.5126 15.7630 15.7630 k = 0.1111 0.1925-0.0000 ( 1809 PWs) bands (ev): -5.2452 -5.2452 -2.9969 -2.9969 3.2620 3.2620 3.5662 3.5662 3.8985 3.8985 5.3745 5.3745 5.6931 5.6931 6.7917 6.7917 8.0742 8.0742 8.4402 8.4402 9.8688 9.8688 11.1978 11.1978 11.6430 11.6430 15.4642 15.4642 15.7134 15.7134 k = 0.1053 0.1823-0.0000 ( 1809 PWs) bands (ev): -5.2846 -5.2846 -2.9806 -2.9806 3.2216 3.2216 3.5388 3.5388 3.8728 3.8728 5.4276 5.4276 5.7343 5.7343 6.8454 6.8454 8.1222 8.1222 8.5117 8.5117 9.8977 9.8977 11.2373 11.2373 11.6210 11.6210 15.3781 15.3781 15.6803 15.6803 k = 0.0994 0.1722-0.0000 ( 1805 PWs) bands (ev): -5.3223 -5.3223 -2.9648 -2.9648 3.1820 3.1820 3.5129 3.5129 3.8479 3.8479 5.4758 5.4758 5.7746 5.7746 6.9029 6.9029 8.1677 8.1677 8.5831 8.5831 9.9295 9.9295 11.2737 11.2737 11.5995 11.5995 15.2728 15.2728 15.6402 15.6402 k = 0.0936 0.1621-0.0000 ( 1809 PWs) bands (ev): -5.3582 -5.3582 -2.9496 -2.9496 3.1435 3.1435 3.4885 3.4885 3.8239 3.8239 5.5196 5.5196 5.8132 5.8132 6.9635 6.9635 8.2115 8.2115 8.6532 8.6532 9.9647 9.9647 11.3062 11.3062 11.5797 11.5797 15.1586 15.1586 15.5810 15.5810 k = 0.0877 0.1519-0.0000 ( 1809 PWs) bands (ev): -5.3921 -5.3921 -2.9351 -2.9351 3.1065 3.1065 3.4656 3.4656 3.8009 3.8009 5.5594 5.5594 5.8498 5.8498 7.0261 7.0261 8.2541 8.2541 8.7208 8.7208 10.0035 10.0035 11.3338 11.3338 11.5630 11.5630 15.0395 15.0395 15.5008 15.5008 k = 0.0819 0.1418-0.0000 ( 1809 PWs) bands (ev): -5.4242 -5.4242 -2.9212 -2.9212 3.0711 3.0711 3.4441 3.4441 3.7790 3.7790 5.5954 5.5954 5.8840 5.8840 7.0897 7.0897 8.2961 8.2961 8.7850 8.7850 10.0462 10.0462 11.3554 11.3554 11.5511 11.5511 14.9176 14.9176 15.4034 15.4034 k = 0.0760 0.1317-0.0000 ( 1811 PWs) bands (ev): -5.4542 -5.4542 -2.9081 -2.9081 3.0376 3.0376 3.4240 3.4240 3.7584 3.7584 5.6281 5.6281 5.9156 5.9156 7.1528 7.1528 8.3378 8.3378 8.8453 8.8453 10.0925 10.0925 11.3703 11.3703 11.5452 11.5452 14.7941 14.7941 15.2944 15.2944 k = 0.0702 0.1215-0.0000 ( 1811 PWs) bands (ev): -5.4822 -5.4822 -2.8958 -2.8958 3.0060 3.0060 3.4053 3.4053 3.7390 3.7390 5.6577 5.6577 5.9447 5.9447 7.2145 7.2145 8.3792 8.3792 8.9011 8.9011 10.1421 10.1421 11.3789 11.3789 11.5454 11.5454 14.6700 14.6700 15.1791 15.1791 k = 0.0643 0.1114-0.0000 ( 1815 PWs) bands (ev): -5.5082 -5.5082 -2.8843 -2.8843 2.9766 2.9766 3.3881 3.3881 3.7210 3.7210 5.6844 5.6844 5.9713 5.9713 7.2735 7.2735 8.4204 8.4204 8.9526 8.9526 10.1939 10.1939 11.3834 11.3834 11.5504 11.5504 14.5462 14.5462 15.0619 15.0619 k = 0.0585 0.1013-0.0000 ( 1815 PWs) bands (ev): -5.5320 -5.5320 -2.8736 -2.8736 2.9495 2.9495 3.3723 3.3723 3.7044 3.7044 5.7083 5.7083 5.9954 5.9954 7.3288 7.3288 8.4609 8.4609 8.9998 8.9998 10.2467 10.2467 11.3866 11.3866 11.5579 11.5579 14.4238 14.4238 14.9463 14.9463 k = 0.0526 0.0912-0.0000 ( 1811 PWs) bands (ev): -5.5536 -5.5536 -2.8639 -2.8639 2.9247 2.9247 3.3579 3.3579 3.6893 3.6893 5.7296 5.7296 6.0171 6.0171 7.3798 7.3798 8.5004 8.5004 9.0430 9.0430 10.2990 10.2990 11.3914 11.3914 11.5660 11.5660 14.3039 14.3039 14.8348 14.8348 k = 0.0468 0.0810-0.0000 ( 1817 PWs) bands (ev): -5.5731 -5.5731 -2.8550 -2.8550 2.9023 2.9023 3.3450 3.3450 3.6757 3.6757 5.7484 5.7484 6.0366 6.0366 7.4257 7.4257 8.5381 8.5381 9.0827 9.0827 10.3491 10.3491 11.3993 11.3993 11.5735 11.5735 14.1879 14.1879 14.7297 14.7297 k = 0.0409 0.0709-0.0000 ( 1813 PWs) bands (ev): -5.5903 -5.5903 -2.8472 -2.8472 2.8824 2.8824 3.3336 3.3336 3.6636 3.6636 5.7647 5.7647 6.0537 6.0537 7.4662 7.4662 8.5732 8.5732 9.1190 9.1190 10.3953 10.3953 11.4111 11.4111 11.5800 11.5800 14.0774 14.0774 14.6328 14.6328 k = 0.0351 0.0608-0.0000 ( 1809 PWs) bands (ev): -5.6053 -5.6053 -2.8403 -2.8403 2.8650 2.8650 3.3237 3.3237 3.6531 3.6531 5.7787 5.7787 6.0687 6.0687 7.5011 7.5011 8.6050 8.6050 9.1521 9.1521 10.4363 10.4363 11.4268 11.4268 11.5854 11.5854 13.9742 13.9742 14.5458 14.5458 k = 0.0292 0.0506-0.0000 ( 1805 PWs) bands (ev): -5.6180 -5.6180 -2.8344 -2.8344 2.8503 2.8503 3.3152 3.3152 3.6441 3.6441 5.7903 5.7903 6.0814 6.0814 7.5305 7.5305 8.6327 8.6327 9.1817 9.1817 10.4712 10.4712 11.4450 11.4450 11.5901 11.5901 13.8804 13.8804 14.4699 14.4699 k = 0.0234 0.0405-0.0000 ( 1807 PWs) bands (ev): -5.6284 -5.6284 -2.8296 -2.8296 2.8382 2.8382 3.3083 3.3083 3.6368 3.6368 5.7998 5.7998 6.0919 6.0919 7.5542 7.5542 8.6559 8.6559 9.2075 9.2075 10.4994 10.4994 11.4637 11.4637 11.5948 11.5948 13.7984 13.7984 14.4062 14.4062 k = 0.0175 0.0304-0.0000 ( 1801 PWs) bands (ev): -5.6365 -5.6365 -2.8258 -2.8258 2.8287 2.8287 3.3029 3.3029 3.6310 3.6310 5.8071 5.8071 6.1000 6.1000 7.5725 7.5725 8.6741 8.6741 9.2287 9.2287 10.5209 10.5209 11.4803 11.4803 11.5999 11.5999 13.7307 13.7307 14.3558 14.3558 k = 0.0117 0.0203-0.0000 ( 1801 PWs) bands (ev): -5.6423 -5.6423 -2.8231 -2.8231 2.8220 2.8220 3.2991 3.2991 3.6269 3.6269 5.8122 5.8122 6.1059 6.1059 7.5854 7.5854 8.6872 8.6872 9.2446 9.2446 10.5359 10.5359 11.4927 11.4927 11.6052 11.6052 13.6800 13.6800 14.3193 14.3193 k = 0.0058 0.0101-0.0000 ( 1801 PWs) bands (ev): -5.6458 -5.6458 -2.8215 -2.8215 2.8179 2.8179 3.2967 3.2967 3.6245 3.6245 5.8153 5.8153 6.1094 6.1094 7.5932 7.5932 8.6951 8.6951 9.2544 9.2544 10.5447 10.5447 11.5001 11.5001 11.6095 11.6095 13.6486 13.6486 14.2972 14.2972 k = 0.0000 0.0000 0.0000 ( 1789 PWs) bands (ev): -5.6470 -5.6470 -2.8209 -2.8209 2.8165 2.8165 3.2960 3.2960 3.6237 3.6237 5.8163 5.8163 6.1106 6.1106 7.5957 7.5957 8.6977 8.6977 9.2577 9.2577 10.5476 10.5476 11.5026 11.5026 11.6112 11.6112 13.6379 13.6379 14.2898 14.2898 k = 0.0000 0.0000 0.0000 ( 1789 PWs) bands (ev): -5.6470 -5.6470 -2.8209 -2.8209 2.8165 2.8165 3.2960 3.2960 3.6237 3.6237 5.8163 5.8163 6.1106 6.1106 7.5957 7.5957 8.6977 8.6977 9.2577 9.2577 10.5476 10.5476 11.5026 11.5026 11.6112 11.6112 13.6379 13.6379 14.2898 14.2898 k = 0.0000 0.0000 0.0115 ( 1789 PWs) bands (ev): -5.6461 -5.6461 -2.8234 -2.8234 2.8199 2.8199 3.2961 3.2961 3.6238 3.6238 5.8164 5.8164 6.1105 6.1105 7.5955 7.5955 8.6966 8.6966 9.2564 9.2564 10.5408 10.5408 11.5048 11.5048 11.6131 11.6131 13.6396 13.6396 14.2967 14.2967 k = 0.0000 0.0000 0.0230 ( 1801 PWs) bands (ev): -5.6433 -5.6433 -2.8307 -2.8307 2.8301 2.8301 3.2964 3.2964 3.6243 3.6243 5.8166 5.8166 6.1102 6.1102 7.5947 7.5947 8.6934 8.6934 9.2523 9.2523 10.5206 10.5206 11.5113 11.5113 11.6187 11.6187 13.6449 13.6449 14.3173 14.3173 k = 0.0000 0.0000 0.0345 ( 1801 PWs) bands (ev): -5.6387 -5.6387 -2.8427 -2.8427 2.8471 2.8471 3.2969 3.2969 3.6252 3.6252 5.8170 5.8170 6.1097 6.1097 7.5935 7.5935 8.6881 8.6881 9.2456 9.2456 10.4874 10.4874 11.5222 11.5222 11.6281 11.6281 13.6537 13.6537 14.3508 14.3508 k = 0.0000 0.0000 0.0460 ( 1825 PWs) bands (ev): -5.6323 -5.6323 -2.8593 -2.8593 2.8705 2.8705 3.2976 3.2976 3.6263 3.6263 5.8175 5.8175 6.1090 6.1090 7.5917 7.5917 8.6808 8.6808 9.2363 9.2363 10.4421 10.4421 11.5372 11.5372 11.6410 11.6410 13.6661 13.6661 14.3965 14.3965 k = 0.0000 0.0000 0.0575 ( 1825 PWs) bands (ev): -5.6241 -5.6241 -2.8805 -2.8805 2.9003 2.9003 3.2986 3.2986 3.6279 3.6279 5.8182 5.8182 6.1082 6.1082 7.5893 7.5893 8.6716 8.6716 9.2247 9.2247 10.3858 10.3858 11.5561 11.5561 11.6575 11.6575 13.6824 13.6824 14.4531 14.4531 k = 0.0000 0.0000 0.0690 ( 1819 PWs) bands (ev): -5.6141 -5.6141 -2.9058 -2.9058 2.9361 2.9361 3.2997 3.2997 3.6298 3.6298 5.8191 5.8191 6.1071 6.1071 7.5863 7.5863 8.6607 8.6607 9.2109 9.2109 10.3196 10.3196 11.5788 11.5788 11.6773 11.6773 13.7024 13.7024 14.5193 14.5193 k = 0.0000 0.0000 0.0805 ( 1807 PWs) bands (ev): -5.6023 -5.6023 -2.9352 -2.9352 2.9776 2.9776 3.3010 3.3010 3.6321 3.6321 5.8202 5.8202 6.1059 6.1059 7.5827 7.5827 8.6481 8.6481 9.1953 9.1953 10.2446 10.2446 11.6050 11.6050 11.7002 11.7002 13.7263 13.7263 14.5939 14.5939 k = 0.0000 0.0000 0.0920 ( 1807 PWs) bands (ev): -5.5888 -5.5888 -2.9683 -2.9683 3.0244 3.0244 3.3024 3.3024 3.6349 3.6349 5.8215 5.8215 6.1046 6.1046 7.5783 7.5783 8.6340 8.6340 9.1779 9.1779 10.1623 10.1623 11.6343 11.6343 11.7260 11.7260 13.7539 13.7539 14.6756 14.6756 k = 0.0000 0.0000 0.1035 ( 1807 PWs) bands (ev): -5.5736 -5.5736 -3.0049 -3.0049 3.0761 3.0761 3.3040 3.3040 3.6383 3.6383 5.8231 5.8231 6.1031 6.1031 7.5732 7.5732 8.6186 8.6186 9.1590 9.1590 10.0737 10.0737 11.6664 11.6664 11.7545 11.7545 13.7851 13.7851 14.7630 14.7630 k = 0.0000 0.0000 0.1149 ( 1807 PWs) bands (ev): -5.5568 -5.5568 -3.0445 -3.0445 3.1321 3.1321 3.3058 3.3058 3.6423 3.6423 5.8249 5.8249 6.1015 6.1015 7.5671 7.5671 8.6021 8.6021 9.1390 9.1390 9.9802 9.9802 11.7010 11.7010 11.7854 11.7854 13.8198 13.8198 14.8550 14.8550 k = 0.0000 0.0000 0.1264 ( 1807 PWs) bands (ev): -5.5384 -5.5384 -3.0869 -3.0869 3.1917 3.1917 3.3076 3.3076 3.6472 3.6472 5.8270 5.8270 6.0998 6.0998 7.5600 7.5600 8.5847 8.5847 9.1180 9.1180 9.8827 9.8827 11.7378 11.7378 11.8186 11.8186 13.8579 13.8579 14.9505 14.9505 k = 0.0000 0.0000 0.1379 ( 1819 PWs) bands (ev): -5.5184 -5.5184 -3.1318 -3.1318 3.2541 3.2541 3.3096 3.3096 3.6534 3.6534 5.8294 5.8294 6.0981 6.0981 7.5518 7.5518 8.5666 8.5666 9.0963 9.0963 9.7824 9.7824 11.7763 11.7763 11.8536 11.8536 13.8992 13.8992 15.0485 15.0485 k = 0.0000 0.0000 0.1494 ( 1819 PWs) bands (ev): -5.4970 -5.4970 -3.1787 -3.1787 3.3116 3.3116 3.3183 3.3183 3.6614 3.6614 5.8322 5.8322 6.0962 6.0962 7.5422 7.5422 8.5480 8.5480 9.0742 9.0742 9.6802 9.6802 11.8163 11.8163 11.8903 11.8903 13.9433 13.9433 15.1481 15.1481 k = 0.0000 0.0000 0.1609 ( 1825 PWs) bands (ev): -5.4742 -5.4742 -3.2273 -3.2273 3.3138 3.3138 3.3824 3.3824 3.6726 3.6726 5.8354 5.8354 6.0943 6.0943 7.5312 7.5312 8.5291 8.5291 9.0519 9.0519 9.5772 9.5772 11.8573 11.8573 11.9283 11.9283 13.9900 13.9900 15.2483 15.2483 k = 0.0000 0.0000 0.1724 ( 1819 PWs) bands (ev): -5.4501 -5.4501 -3.2774 -3.2774 3.3159 3.3159 3.4438 3.4438 3.6889 3.6889 5.8391 5.8391 6.0924 6.0924 7.5186 7.5186 8.5102 8.5102 9.0296 9.0296 9.4742 9.4742 11.8990 11.8990 11.9673 11.9673 14.0390 14.0390 15.3484 15.3484 k = 0.0000 0.0000 0.1839 ( 1819 PWs) bands (ev): -5.4248 -5.4248 -3.3284 -3.3284 3.3181 3.3181 3.4984 3.4984 3.7140 3.7140 5.8433 5.8433 6.0905 6.0905 7.5041 7.5041 8.4914 8.4914 9.0074 9.0074 9.3721 9.3721 11.9411 11.9411 12.0070 12.0070 14.0900 14.0900 15.4475 15.4475 k = 0.0000 0.0000 0.1954 ( 1820 PWs) bands (ev): -5.3985 -5.3985 -3.3800 -3.3800 3.3203 3.3203 3.5415 3.5415 3.7519 3.7519 5.8480 5.8480 6.0886 6.0886 7.4876 7.4876 8.4729 8.4729 8.9857 8.9857 9.2719 9.2719 11.9831 11.9831 12.0470 12.0470 14.1424 14.1424 15.5449 15.5449 k = 0.0000 0.0000 0.2069 ( 1820 PWs) bands (ev): -5.3714 -5.3714 -3.4319 -3.4319 3.3225 3.3225 3.5715 3.5715 3.8037 3.8037 5.8534 5.8534 6.0867 6.0867 7.4688 7.4688 8.4550 8.4550 8.9646 8.9646 9.1743 9.1743 12.0247 12.0247 12.0870 12.0870 14.1960 14.1960 15.6399 15.6399 k = 0.0000 0.0000 0.2184 ( 1820 PWs) bands (ev): -5.3435 -5.3435 -3.4837 -3.4837 3.3246 3.3246 3.5910 3.5910 3.8660 3.8660 5.8594 5.8594 6.0849 6.0849 7.4475 7.4475 8.4379 8.4379 8.9443 8.9443 9.0802 9.0802 12.0655 12.0655 12.1267 12.1267 14.2501 14.2501 15.7319 15.7319 k = 0.0000 0.0000 0.2299 ( 1820 PWs) bands (ev): -5.3151 -5.3151 -3.5349 -3.5349 3.3267 3.3267 3.6040 3.6040 3.9341 3.9341 5.8662 5.8662 6.0831 6.0831 7.4236 7.4236 8.4217 8.4217 8.9248 8.9248 8.9904 8.9904 12.1052 12.1052 12.1656 12.1656 14.3042 14.3042 15.8201 15.8201 k = 0.0000 0.0000 0.2414 ( 1808 PWs) bands (ev): -5.2865 -5.2865 -3.5852 -3.5852 3.3287 3.3287 3.6130 3.6130 4.0047 4.0047 5.8737 5.8737 6.0814 6.0814 7.3971 7.3971 8.4068 8.4068 8.9056 8.9056 8.9064 8.9064 12.1434 12.1434 12.2034 12.2034 14.3576 14.3576 15.9039 15.9039 k = 0.0000 0.0000 0.2529 ( 1802 PWs) bands (ev): -5.2579 -5.2579 -3.6341 -3.6341 3.3306 3.3306 3.6198 3.6198 4.0753 4.0753 5.8821 5.8821 6.0798 6.0798 7.3681 7.3681 8.3932 8.3932 8.8264 8.8264 8.8892 8.8892 12.1797 12.1797 12.2396 12.2396 14.4099 14.4099 15.9826 15.9826 k = 0.0000 0.0000 0.2644 ( 1802 PWs) bands (ev): -5.2297 -5.2297 -3.6810 -3.6810 3.3324 3.3324 3.6250 3.6250 4.1442 4.1442 5.8912 5.8912 6.0783 6.0783 7.3367 7.3367 8.3813 8.3813 8.7535 8.7535 8.8733 8.8733 12.2139 12.2139 12.2740 12.2740 14.4601 14.4601 16.0558 16.0558 k = 0.0000 0.0000 0.2759 ( 1796 PWs) bands (ev): -5.2023 -5.2023 -3.7256 -3.7256 3.3340 3.3340 3.6292 3.6292 4.2100 4.2100 5.9010 5.9010 6.0770 6.0770 7.3036 7.3036 8.3712 8.3712 8.6871 8.6871 8.8588 8.8588 12.2455 12.2455 12.3061 12.3061 14.5077 14.5077 16.1229 16.1229 k = 0.0000 0.0000 0.2874 ( 1802 PWs) bands (ev): -5.1761 -5.1761 -3.7672 -3.7672 3.3355 3.3355 3.6326 3.6326 4.2716 4.2716 5.9113 5.9113 6.0757 6.0757 7.2695 7.2695 8.3632 8.3632 8.6275 8.6275 8.8457 8.8457 12.2742 12.2742 12.3354 12.3354 14.5517 14.5517 16.1834 16.1834 k = 0.0000 0.0000 0.2989 ( 1802 PWs) bands (ev): -5.1516 -5.1516 -3.8052 -3.8052 3.3368 3.3368 3.6353 3.6353 4.3278 4.3278 5.9220 5.9220 6.0746 6.0746 7.2355 7.2355 8.3574 8.3574 8.5747 8.5747 8.8343 8.8343 12.2998 12.2998 12.3618 12.3618 14.5916 14.5916 16.2371 16.2371 k = 0.0000 0.0000 0.3104 ( 1814 PWs) bands (ev): -5.1295 -5.1295 -3.8389 -3.8389 3.3380 3.3380 3.6375 3.6375 4.3774 4.3774 5.9326 5.9326 6.0737 6.0737 7.2027 7.2027 8.3542 8.3542 8.5287 8.5287 8.8244 8.8244 12.3219 12.3219 12.3847 12.3847 14.6267 14.6267 16.2837 16.2837 k = 0.0000 0.0000 0.3219 ( 1814 PWs) bands (ev): -5.1102 -5.1102 -3.8678 -3.8678 3.3389 3.3389 3.6393 3.6393 4.4196 4.4196 5.9426 5.9426 6.0729 6.0729 7.1728 7.1728 8.3538 8.3538 8.4891 8.4891 8.8163 8.8163 12.3404 12.3404 12.4040 12.4040 14.6563 14.6563 16.3234 16.3234 k = 0.0000 0.0000 0.3334 ( 1814 PWs) bands (ev): -5.0944 -5.0944 -3.8911 -3.8911 3.3397 3.3397 3.6407 3.6407 4.4534 4.4534 5.9514 5.9514 6.0723 6.0723 7.1473 7.1473 8.3563 8.3563 8.4556 8.4556 8.8100 8.8100 12.3550 12.3550 12.4192 12.4192 14.6798 14.6798 16.3562 16.3562 k = 0.0000 0.0000 0.3448 ( 1814 PWs) bands (ev): -5.0826 -5.0826 -3.9082 -3.9082 3.3402 3.3402 3.6416 3.6416 4.4781 4.4781 5.9583 5.9583 6.0719 6.0719 7.1278 7.1278 8.3620 8.3620 8.4279 8.4279 8.8054 8.8054 12.3656 12.3656 12.4303 12.4303 14.6970 14.6970 16.3825 16.3825 k = 0.0000 0.0000 0.3563 ( 1820 PWs) bands (ev): -5.0754 -5.0754 -3.9187 -3.9187 3.3405 3.3405 3.6422 3.6422 4.4931 4.4931 5.9627 5.9627 6.0716 6.0716 7.1154 7.1154 8.3708 8.3708 8.4059 8.4059 8.8026 8.8026 12.3720 12.3720 12.4370 12.4370 14.7074 14.7074 16.4014 16.4014 k = 0.0000 0.0000 0.3678 ( 1820 PWs) bands (ev): -5.0729 -5.0729 -3.9223 -3.9223 3.3406 3.3406 3.6423 3.6423 4.4982 4.4982 5.9643 5.9643 6.0715 6.0715 7.1112 7.1112 8.3786 8.3786 8.3938 8.3938 8.8017 8.8017 12.3741 12.3741 12.4393 12.4393 14.7109 14.7109 16.4093 16.4093 k = 0.0000 0.0000 0.3678 ( 1820 PWs) bands (ev): -5.0729 -5.0729 -3.9223 -3.9223 3.3406 3.3406 3.6423 3.6423 4.4982 4.4982 5.9643 5.9643 6.0715 6.0715 7.1112 7.1112 8.3786 8.3786 8.3938 8.3938 8.8017 8.8017 12.3741 12.3741 12.4393 12.4393 14.7109 14.7109 16.4093 16.4093 k = 0.0102 0.0059 0.3678 ( 1814 PWs) bands (ev): -5.0718 -5.0718 -3.9221 -3.9221 3.3404 3.3404 3.6420 3.6420 4.4986 4.4986 5.9629 5.9629 6.0696 6.0696 7.1150 7.1150 8.3054 8.3054 8.4515 8.4515 8.8171 8.8171 12.3656 12.3656 12.4320 12.4320 14.7197 14.7197 16.3707 16.3707 k = 0.0204 0.0118 0.3678 ( 1814 PWs) bands (ev): -5.0684 -5.0684 -3.9215 -3.9215 3.3397 3.3397 3.6410 3.6410 4.5000 4.5000 5.9586 5.9586 6.0641 6.0641 7.1264 7.1264 8.2148 8.2148 8.4980 8.4980 8.8605 8.8605 12.3381 12.3381 12.4126 12.4126 14.7453 14.7453 16.3167 16.3167 k = 0.0306 0.0177 0.3678 ( 1814 PWs) bands (ev): -5.0627 -5.0627 -3.9206 -3.9206 3.3385 3.3385 3.6396 3.6396 4.5023 4.5023 5.9512 5.9512 6.0553 6.0553 7.1449 7.1449 8.1183 8.1183 8.5295 8.5295 8.9247 8.9247 12.2889 12.2889 12.3861 12.3861 14.7858 14.7858 16.2603 16.2603 k = 0.0408 0.0236 0.3678 ( 1816 PWs) bands (ev): -5.0548 -5.0548 -3.9193 -3.9193 3.3366 3.3366 3.6378 3.6378 4.5055 4.5055 5.9403 5.9403 6.0437 6.0437 7.1702 7.1702 8.0191 8.0191 8.5513 8.5513 9.0010 9.0010 12.2187 12.2187 12.3546 12.3546 14.8379 14.8379 16.2024 16.2024 k = 0.0510 0.0295 0.3678 ( 1814 PWs) bands (ev): -5.0447 -5.0447 -3.9177 -3.9177 3.3338 3.3338 3.6361 3.6361 4.5095 4.5095 5.9253 5.9253 6.0300 6.0300 7.2015 7.2015 7.9197 7.9197 8.5682 8.5682 9.0824 9.0824 12.1310 12.1310 12.3179 12.3179 14.8979 14.8979 16.1447 16.1447 k = 0.0612 0.0353 0.3678 ( 1818 PWs) bands (ev): -5.0323 -5.0323 -3.9157 -3.9157 3.3301 3.3301 3.6346 3.6346 4.5143 4.5143 5.9055 5.9055 6.0150 6.0150 7.2378 7.2378 7.8221 7.8221 8.5826 8.5826 9.1649 9.1649 12.0295 12.0295 12.2759 12.2759 14.9612 14.9612 16.0895 16.0895 k = 0.0714 0.0412 0.3678 ( 1814 PWs) bands (ev): -5.0178 -5.0178 -3.9134 -3.9134 3.3253 3.3253 3.6338 3.6338 4.5198 4.5198 5.8804 5.8804 5.9996 5.9996 7.2769 7.2769 7.7291 7.7291 8.5958 8.5958 9.2456 9.2456 11.9173 11.9173 12.2290 12.2290 15.0227 15.0227 16.0405 16.0405 k = 0.0816 0.0471 0.3678 ( 1814 PWs) bands (ev): -5.0011 -5.0011 -3.9107 -3.9107 3.3192 3.3192 3.6340 3.6340 4.5260 4.5260 5.8495 5.8495 5.9842 5.9842 7.3148 7.3148 7.6455 7.6455 8.6085 8.6085 9.3226 9.3226 11.7973 11.7973 12.1777 12.1777 15.0764 15.0764 16.0023 16.0023 k = 0.0918 0.0530 0.3678 ( 1818 PWs) bands (ev): -4.9822 -4.9822 -3.9077 -3.9077 3.3118 3.3118 3.6354 3.6354 4.5325 4.5325 5.8129 5.8129 5.9691 5.9691 7.3402 7.3402 7.5827 7.5827 8.6206 8.6206 9.3945 9.3945 11.6719 11.6719 12.1225 12.1225 15.1158 15.1158 15.9806 15.9806 k = 0.1020 0.0589 0.3678 ( 1826 PWs) bands (ev): -4.9613 -4.9613 -3.9044 -3.9044 3.3031 3.3031 3.6381 3.6381 4.5394 4.5394 5.7706 5.7706 5.9544 5.9544 7.3310 7.3310 7.5632 7.5632 8.6322 8.6322 9.4596 9.4596 11.5435 11.5435 12.0642 12.0642 15.1351 15.1351 15.9801 15.9801 k = 0.1122 0.0648 0.3678 ( 1826 PWs) bands (ev): -4.9384 -4.9384 -3.9008 -3.9008 3.2932 3.2932 3.6424 3.6424 4.5461 4.5461 5.7231 5.7231 5.9399 5.9399 7.2836 7.2836 7.5905 7.5905 8.6431 8.6431 9.5166 9.5166 11.4145 11.4145 12.0036 12.0036 15.1321 15.1321 16.0025 16.0025 k = 0.1224 0.0707 0.3678 ( 1830 PWs) bands (ev): -4.9135 -4.9135 -3.8969 -3.8969 3.2822 3.2822 3.6481 3.6481 4.5524 4.5524 5.6710 5.6710 5.9259 5.9259 7.2205 7.2205 7.6422 7.6422 8.6529 8.6529 9.5635 9.5635 11.2876 11.2876 11.9414 11.9414 15.1086 15.1086 16.0447 16.0447 k = 0.1327 0.0766 0.3678 ( 1824 PWs) bands (ev): -4.8867 -4.8867 -3.8927 -3.8927 3.2705 3.2705 3.6553 3.6553 4.5577 4.5577 5.6148 5.6148 5.9123 5.9123 7.1553 7.1553 7.7045 7.7045 8.6614 8.6614 9.5984 9.5984 11.1655 11.1655 11.8783 11.8783 15.0693 15.0693 16.1007 16.1007 k = 0.1429 0.0825 0.3678 ( 1818 PWs) bands (ev): -4.8580 -4.8580 -3.8882 -3.8882 3.2582 3.2582 3.6638 3.6638 4.5613 4.5613 5.5557 5.5557 5.8992 5.8992 7.0926 7.0926 7.7722 7.7722 8.6683 8.6683 9.6185 9.6185 11.0516 11.0516 11.8149 11.8149 15.0196 15.0196 16.1635 16.1635 k = 0.1531 0.0884 0.3678 ( 1818 PWs) bands (ev): -4.8276 -4.8276 -3.8835 -3.8835 3.2456 3.2456 3.6735 3.6735 4.5623 4.5623 5.4949 5.4949 5.8868 5.8868 7.0344 7.0344 7.8427 7.8427 8.6732 8.6732 9.6213 9.6213 10.9495 10.9495 11.7519 11.7519 14.9635 14.9635 16.2265 16.2265 k = 0.1633 0.0943 0.3678 ( 1818 PWs) bands (ev): -4.7954 -4.7954 -3.8785 -3.8785 3.2330 3.2330 3.6841 3.6841 4.5594 4.5594 5.4341 5.4341 5.8753 5.8753 6.9811 6.9811 7.9146 7.9146 8.6759 8.6759 9.6040 9.6040 10.8625 10.8625 11.6899 11.6899 14.9045 14.9045 16.2836 16.2836 k = 0.1735 0.1002 0.3678 ( 1826 PWs) bands (ev): -4.7617 -4.7617 -3.8733 -3.8733 3.2206 3.2206 3.6955 3.6955 4.5513 4.5513 5.3755 5.3755 5.8649 5.8649 6.9330 6.9330 7.9863 7.9863 8.6761 8.6761 9.5653 9.5653 10.7932 10.7932 11.6294 11.6294 14.8445 14.8445 16.3296 16.3296 k = 0.1837 0.1060 0.3678 ( 1826 PWs) bands (ev): -4.7265 -4.7265 -3.8678 -3.8678 3.2087 3.2087 3.7074 3.7074 4.5362 4.5362 5.3213 5.3213 5.8556 5.8556 6.8899 6.8899 8.0565 8.0565 8.6737 8.6737 9.5054 9.5054 10.7422 10.7422 11.5710 11.5710 14.7853 14.7853 16.3601 16.3601 k = 0.1939 0.1119 0.3678 ( 1830 PWs) bands (ev): -4.6898 -4.6898 -3.8621 -3.8621 3.1974 3.1974 3.7196 3.7196 4.5124 4.5124 5.2740 5.2740 5.8479 5.8479 6.8515 6.8515 8.1232 8.1232 8.6689 8.6689 9.4269 9.4269 10.7083 10.7083 11.5152 11.5152 14.7281 14.7281 16.3726 16.3726 k = 0.2041 0.1178 0.3678 ( 1830 PWs) bands (ev): -4.6520 -4.6520 -3.8561 -3.8561 3.1868 3.1868 3.7318 3.7318 4.4787 4.4787 5.2358 5.2358 5.8416 5.8416 6.8174 6.8174 8.1841 8.1841 8.6622 8.6622 9.3344 9.3344 10.6891 10.6891 11.4624 11.4624 14.6735 14.6735 16.3665 16.3665 k = 0.2143 0.1237 0.3678 ( 1830 PWs) bands (ev): -4.6130 -4.6130 -3.8499 -3.8499 3.1770 3.1770 3.7438 3.7438 4.4348 4.4348 5.2077 5.2077 5.8371 5.8371 6.7874 6.7874 8.2355 8.2355 8.6543 8.6543 9.2334 9.2334 10.6813 10.6813 11.4128 11.4128 14.6224 14.6224 16.3436 16.3436 k = 0.2245 0.1296 0.3678 ( 1834 PWs) bands (ev): -4.5730 -4.5730 -3.8434 -3.8434 3.1679 3.1679 3.7552 3.7552 4.3814 4.3814 5.1900 5.1900 5.8345 5.8345 6.7609 6.7609 8.2723 8.2723 8.6465 8.6465 9.1306 9.1306 10.6822 10.6822 11.3669 11.3669 14.5750 14.5750 16.3064 16.3064 k = 0.2347 0.1355 0.3678 ( 1826 PWs) bands (ev): -4.5322 -4.5322 -3.8365 -3.8365 3.1595 3.1595 3.7659 3.7659 4.3204 4.3204 5.1817 5.1817 5.8337 5.8337 6.7377 6.7377 8.2886 8.2886 8.6388 8.6388 9.0342 9.0342 10.6898 10.6898 11.3248 11.3248 14.5319 14.5319 16.2582 16.2582 k = 0.2449 0.1414 0.3678 ( 1826 PWs) bands (ev): -4.4908 -4.4908 -3.8294 -3.8294 3.1513 3.1513 3.7752 3.7752 4.2543 4.2543 5.1815 5.1815 5.8349 5.8349 6.7174 6.7174 8.2790 8.2790 8.6263 8.6263 8.9560 8.9560 10.7027 10.7027 11.2866 11.2866 14.4931 14.4931 16.2016 16.2016 k = 0.2551 0.1473 0.3678 ( 1826 PWs) bands (ev): -4.4489 -4.4489 -3.8218 -3.8218 3.1431 3.1431 3.7827 3.7827 4.1861 4.1861 5.1880 5.1880 5.8381 5.8381 6.6996 6.6996 8.2416 8.2416 8.5994 8.5994 8.9088 8.9088 10.7201 10.7201 11.2524 11.2524 14.4590 14.4590 16.1390 16.1390 k = 0.2653 0.1532 0.3678 ( 1822 PWs) bands (ev): -4.4069 -4.4069 -3.8138 -3.8138 3.1342 3.1342 3.7876 3.7876 4.1189 4.1189 5.1996 5.1996 5.8431 5.8431 6.6841 6.6841 8.1785 8.1785 8.5539 8.5539 8.8956 8.8956 10.7415 10.7415 11.2223 11.2223 14.4295 14.4295 16.0723 16.0723 k = 0.2755 0.1591 0.3678 ( 1822 PWs) bands (ev): -4.3650 -4.3650 -3.8053 -3.8053 3.1237 3.1237 3.7885 3.7885 4.0564 4.0564 5.2151 5.2151 5.8500 5.8500 6.6704 6.6704 8.0947 8.0947 8.4975 8.4975 8.9048 8.9048 10.7668 10.7668 11.1961 11.1961 14.4048 14.4048 16.0027 16.0027 k = 0.2857 0.1650 0.3678 ( 1818 PWs) bands (ev): -4.3234 -4.3234 -3.7961 -3.7961 3.1106 3.1106 3.7838 3.7838 4.0029 4.0029 5.2336 5.2336 5.8586 5.8586 6.6583 6.6583 7.9965 7.9965 8.4374 8.4374 8.9234 8.9234 10.7961 10.7961 11.1737 11.1737 14.3849 14.3849 15.9314 15.9314 k = 0.2959 0.1708 0.3678 ( 1814 PWs) bands (ev): -4.2825 -4.2825 -3.7862 -3.7862 3.0933 3.0933 3.7716 3.7716 3.9623 3.9623 5.2541 5.2541 5.8688 5.8688 6.6473 6.6473 7.8904 7.8904 8.3759 8.3759 8.9438 8.9438 10.8294 10.8294 11.1550 11.1550 14.3696 14.3696 15.8593 15.8593 k = 0.3061 0.1767 0.3678 ( 1814 PWs) bands (ev): -4.2426 -4.2426 -3.7754 -3.7754 3.0706 3.0706 3.7529 3.7529 3.9362 3.9362 5.2757 5.2757 5.8804 5.8804 6.6370 6.6370 7.7815 7.7815 8.3133 8.3133 8.9618 8.9618 10.8665 10.8665 11.1397 11.1397 14.3590 14.3590 15.7869 15.7869 k = 0.3163 0.1826 0.3678 ( 1814 PWs) bands (ev): -4.2042 -4.2042 -3.7636 -3.7636 3.0412 3.0412 3.7323 3.7323 3.9217 3.9217 5.2975 5.2975 5.8933 5.8933 6.6270 6.6270 7.6737 7.6737 8.2494 8.2494 8.9755 8.9755 10.9073 10.9073 11.1279 11.1279 14.3530 14.3530 15.7149 15.7149 k = 0.3265 0.1885 0.3678 ( 1818 PWs) bands (ev): -4.1675 -4.1675 -3.7505 -3.7505 3.0047 3.0047 3.7156 3.7156 3.9145 3.9145 5.3186 5.3186 5.9072 5.9072 6.6165 6.6165 7.5704 7.5704 8.1838 8.1838 8.9836 8.9836 10.9510 10.9510 11.1196 11.1196 14.3512 14.3512 15.6436 15.6436 k = 0.3367 0.1944 0.3678 ( 1814 PWs) bands (ev): -4.1330 -4.1330 -3.7360 -3.7360 2.9612 2.9612 3.7063 3.7063 3.9111 3.9111 5.3381 5.3381 5.9219 5.9219 6.6050 6.6050 7.4741 7.4741 8.1166 8.1166 8.9860 8.9860 10.9960 10.9960 11.1159 11.1159 14.3537 14.3537 15.5736 15.5736 k = 0.3469 0.2003 0.3678 ( 1818 PWs) bands (ev): -4.1011 -4.1011 -3.7201 -3.7201 2.9118 2.9118 3.7059 3.7059 3.9098 3.9098 5.3547 5.3547 5.9374 5.9374 6.5920 6.5920 7.3874 7.3874 8.0479 8.0479 8.9827 8.9827 11.0374 11.0374 11.1207 11.1207 14.3601 14.3601 15.5050 15.5050 k = 0.3571 0.2062 0.3678 ( 1818 PWs) bands (ev): -4.0720 -4.0720 -3.7027 -3.7027 2.8582 2.8582 3.7142 3.7142 3.9094 3.9094 5.3670 5.3670 5.9533 5.9533 6.5771 6.5771 7.3122 7.3122 7.9778 7.9778 8.9740 8.9740 11.0641 11.0641 11.1440 11.1440 14.3703 14.3703 15.4383 15.4383 k = 0.3673 0.2121 0.3678 ( 1818 PWs) bands (ev): -4.0460 -4.0460 -3.6838 -3.6838 2.8021 2.8021 3.7303 3.7303 3.9095 3.9095 5.3738 5.3738 5.9697 5.9697 6.5605 6.5605 7.2500 7.2500 7.9066 7.9066 8.9606 8.9606 11.0740 11.0740 11.1871 11.1871 14.3838 14.3838 15.3738 15.3738 k = 0.3776 0.2180 0.3678 ( 1816 PWs) bands (ev): -4.0230 -4.0230 -3.6636 -3.6636 2.7450 2.7450 3.7531 3.7531 3.9100 3.9100 5.3737 5.3737 5.9862 5.9862 6.5433 6.5433 7.2012 7.2012 7.8347 7.8347 8.9432 8.9432 11.0773 11.0773 11.2386 11.2386 14.4005 14.4005 15.3118 15.3118 k = 0.3878 0.2239 0.3678 ( 1812 PWs) bands (ev): -4.0031 -4.0031 -3.6425 -3.6425 2.6885 2.6885 3.7814 3.7814 3.9109 3.9109 5.3653 5.3653 6.0025 6.0025 6.5273 6.5273 7.1655 7.1655 7.7624 7.7624 8.9226 8.9226 11.0789 11.0789 11.2924 11.2924 14.4199 14.4199 15.2525 15.2525 k = 0.3980 0.2298 0.3678 ( 1810 PWs) bands (ev): -3.9861 -3.9861 -3.6210 -3.6210 2.6337 2.6337 3.8135 3.8135 3.9129 3.9129 5.3481 5.3481 6.0182 6.0182 6.5149 6.5149 7.1413 7.1413 7.6900 7.6900 8.8997 8.8997 11.0802 11.0802 11.3461 11.3461 14.4416 14.4416 15.1962 15.1962 k = 0.4082 0.2357 0.3678 ( 1810 PWs) bands (ev): -3.9716 -3.9716 -3.5994 -3.5994 2.5817 2.5817 3.8467 3.8467 3.9176 3.9176 5.3219 5.3219 6.0329 6.0329 6.5083 6.5083 7.1268 7.1268 7.6180 7.6180 8.8753 8.8753 11.0815 11.0815 11.3983 11.3983 14.4650 14.4650 15.1432 15.1432 k = 0.4184 0.2415 0.3678 ( 1810 PWs) bands (ev): -3.9596 -3.9596 -3.5785 -3.5785 2.5333 2.5333 3.8742 3.8742 3.9310 3.9310 5.2875 5.2875 6.0461 6.0461 6.5093 6.5093 7.1197 7.1197 7.5469 7.5469 8.8503 8.8503 11.0829 11.0829 11.4478 11.4478 14.4898 14.4898 15.0938 15.0938 k = 0.4286 0.2474 0.3678 ( 1814 PWs) bands (ev): -3.9496 -3.9496 -3.5587 -3.5587 2.4890 2.4890 3.8881 3.8881 3.9601 3.9601 5.2464 5.2464 6.0573 6.0573 6.5184 6.5184 7.1182 7.1182 7.4774 7.4774 8.8257 8.8257 11.0844 11.0844 11.4937 11.4937 14.5152 14.5152 15.0481 15.0481 k = 0.4388 0.2533 0.3678 ( 1822 PWs) bands (ev): -3.9414 -3.9414 -3.5404 -3.5404 2.4496 2.4496 3.8930 3.8930 3.9990 3.9990 5.2007 5.2007 6.0666 6.0666 6.5350 6.5350 7.1203 7.1203 7.4103 7.4103 8.8022 8.8022 11.0858 11.0858 11.5353 11.5353 14.5407 14.5407 15.0065 15.0065 k = 0.4490 0.2592 0.3678 ( 1822 PWs) bands (ev): -3.9349 -3.9349 -3.5242 -3.5242 2.4155 2.4155 3.8948 3.8948 4.0404 4.0404 5.1532 5.1532 6.0738 6.0738 6.5579 6.5579 7.1247 7.1247 7.3466 7.3466 8.7807 8.7807 11.0871 11.0871 11.5718 11.5718 14.5654 14.5654 14.9693 14.9693 k = 0.4592 0.2651 0.3678 ( 1818 PWs) bands (ev): -3.9297 -3.9297 -3.5105 -3.5105 2.3871 2.3871 3.8955 3.8955 4.0807 4.0807 5.1069 5.1069 6.0794 6.0794 6.5846 6.5846 7.1299 7.1299 7.2879 7.2879 8.7619 8.7619 11.0884 11.0884 11.6026 11.6026 14.5885 14.5885 14.9368 14.9368 k = 0.4694 0.2710 0.3678 ( 1822 PWs) bands (ev): -3.9259 -3.9259 -3.4994 -3.4994 2.3647 2.3647 3.8957 3.8957 4.1168 4.1168 5.0651 5.0651 6.0834 6.0834 6.6124 6.6124 7.1349 7.1349 7.2364 7.2364 8.7465 8.7465 11.0894 11.0894 11.6272 11.6272 14.6090 14.6090 14.9097 14.9097 k = 0.4796 0.2769 0.3678 ( 1822 PWs) bands (ev): -3.9232 -3.9232 -3.4914 -3.4914 2.3485 2.3485 3.8957 3.8957 4.1458 4.1458 5.0315 5.0315 6.0862 6.0862 6.6374 6.6374 7.1386 7.1386 7.1954 7.1954 8.7350 8.7350 11.0901 11.0901 11.6450 11.6450 14.6255 14.6255 14.8888 14.8888 k = 0.4898 0.2828 0.3678 ( 1822 PWs) bands (ev): -3.9216 -3.9216 -3.4865 -3.4865 2.3387 2.3387 3.8957 3.8957 4.1648 4.1648 5.0095 5.0095 6.0878 6.0878 6.6553 6.6553 7.1399 7.1399 7.1694 7.1694 8.7280 8.7280 11.0906 11.0906 11.6559 11.6559 14.6364 14.6364 14.8754 14.8754 k = 0.5000 0.2887 0.3678 ( 1816 PWs) bands (ev): -3.9211 -3.9211 -3.4848 -3.4848 2.3355 2.3355 3.8956 3.8956 4.1715 4.1715 5.0019 5.0019 6.0883 6.0883 6.6618 6.6618 7.1393 7.1393 7.1612 7.1612 8.7256 8.7256 11.0907 11.0907 11.6595 11.6595 14.6403 14.6403 14.8707 14.8707 k = 0.5000 0.2887 0.3678 ( 1816 PWs) bands (ev): -3.9211 -3.9211 -3.4848 -3.4848 2.3355 2.3355 3.8956 3.8956 4.1715 4.1715 5.0019 5.0019 6.0883 6.0883 6.6618 6.6618 7.1393 7.1393 7.1612 7.1612 8.7256 8.7256 11.0907 11.0907 11.6595 11.6595 14.6403 14.6403 14.8707 14.8707 k = 0.4943 0.2986 0.3678 ( 1828 PWs) bands (ev): -3.9205 -3.9205 -3.4850 -3.4850 2.3371 2.3371 3.8921 3.8921 4.1761 4.1761 5.0018 5.0018 6.0859 6.0859 6.6610 6.6610 7.0836 7.0836 7.2146 7.2146 8.7202 8.7202 11.0936 11.0936 11.6631 11.6631 14.6430 14.6430 14.8768 14.8768 k = 0.4885 0.3086 0.3678 ( 1828 PWs) bands (ev): -3.9186 -3.9186 -3.4855 -3.4855 2.3420 2.3420 3.8820 3.8820 4.1894 4.1894 5.0017 5.0017 6.0786 6.0786 6.6587 6.6587 7.0173 7.0173 7.2744 7.2744 8.7041 8.7041 11.1022 11.1022 11.6739 11.6739 14.6513 14.6513 14.8950 14.8950 k = 0.4828 0.3185 0.3678 ( 1828 PWs) bands (ev): -3.9155 -3.9155 -3.4864 -3.4864 2.3501 2.3501 3.8670 3.8670 4.2096 4.2096 5.0013 5.0013 6.0661 6.0661 6.6543 6.6543 6.9510 6.9510 7.3309 7.3309 8.6778 8.6778 11.1163 11.1163 11.6915 11.6915 14.6652 14.6652 14.9250 14.9250 k = 0.4770 0.3285 0.3678 ( 1824 PWs) bands (ev): -3.9112 -3.9112 -3.4877 -3.4877 2.3614 2.3614 3.8487 3.8487 4.2351 4.2351 5.0007 5.0007 6.0478 6.0478 6.6473 6.6473 6.8871 6.8871 7.3835 7.3835 8.6420 8.6420 11.1354 11.1354 11.7154 11.7154 14.6849 14.6849 14.9664 14.9664 k = 0.4713 0.3384 0.3678 ( 1824 PWs) bands (ev): -3.9058 -3.9058 -3.4892 -3.4892 2.3760 2.3760 3.8286 3.8286 4.2645 4.2645 4.9998 4.9998 6.0229 6.0229 6.6363 6.6363 6.8285 6.8285 7.4318 7.4318 8.5977 8.5977 11.1592 11.1592 11.7447 11.7447 14.7107 14.7107 15.0188 15.0188 k = 0.4655 0.3484 0.3678 ( 1822 PWs) bands (ev): -3.8992 -3.8992 -3.4911 -3.4911 2.3938 2.3938 3.8075 3.8075 4.2968 4.2968 4.9983 4.9983 5.9907 5.9907 6.6193 6.6193 6.7787 6.7787 7.4758 7.4758 8.5458 8.5458 11.1872 11.1872 11.7785 11.7785 14.7428 14.7428 15.0814 15.0814 k = 0.4598 0.3584 0.3678 ( 1822 PWs) bands (ev): -3.8914 -3.8914 -3.4934 -3.4934 2.4148 2.4148 3.7861 3.7861 4.3311 4.3311 4.9960 4.9960 5.9507 5.9507 6.5946 6.5946 6.7407 6.7407 7.5154 7.5154 8.4876 8.4876 11.2188 11.2188 11.8159 11.8159 14.7816 14.7816 15.1536 15.1536 k = 0.4540 0.3683 0.3678 ( 1824 PWs) bands (ev): -3.8827 -3.8827 -3.4959 -3.4959 2.4390 2.4390 3.7648 3.7648 4.3668 4.3668 4.9927 4.9927 5.9028 5.9028 6.5636 6.5636 6.7141 6.7141 7.5508 7.5508 8.4243 8.4243 11.2536 11.2536 11.8556 11.8556 14.8271 14.8271 15.2345 15.2345 k = 0.4483 0.3783 0.3678 ( 1824 PWs) bands (ev): -3.8729 -3.8729 -3.4988 -3.4988 2.4663 2.4663 3.7439 3.7439 4.4033 4.4033 4.9880 4.9880 5.8478 5.8478 6.5301 6.5301 6.6955 6.6955 7.5818 7.5818 8.3573 8.3573 11.2911 11.2911 11.8966 11.8966 14.8798 14.8798 15.3233 15.3233 k = 0.4425 0.3882 0.3678 ( 1824 PWs) bands (ev): -3.8621 -3.8621 -3.5020 -3.5020 2.4968 2.4968 3.7237 3.7237 4.4401 4.4401 4.9815 4.9815 5.7870 5.7870 6.4975 6.4975 6.6809 6.6809 7.6088 7.6088 8.2878 8.2878 11.3310 11.3310 11.9378 11.9378 14.9398 14.9398 15.4190 15.4190 k = 0.4368 0.3982 0.3678 ( 1816 PWs) bands (ev): -3.8505 -3.8505 -3.5055 -3.5055 2.5304 2.5304 3.7043 3.7043 4.4763 4.4763 4.9728 4.9728 5.7229 5.7229 6.4673 6.4673 6.6680 6.6680 7.6317 7.6317 8.2172 8.2172 11.3728 11.3728 11.9781 11.9781 15.0071 15.0071 15.5208 15.5208 k = 0.4310 0.4081 0.3678 ( 1816 PWs) bands (ev): -3.8381 -3.8381 -3.5092 -3.5092 2.5670 2.5670 3.6856 3.6856 4.5107 4.5107 4.9615 4.9615 5.6580 5.6580 6.4396 6.4396 6.6553 6.6553 7.6505 7.6505 8.1469 8.1469 11.4162 11.4162 12.0166 12.0166 15.0818 15.0818 15.6275 15.6275 k = 0.4253 0.4181 0.3678 ( 1816 PWs) bands (ev): -3.8250 -3.8250 -3.5132 -3.5132 2.6066 2.6066 3.6679 3.6679 4.5413 4.5413 4.9481 4.9481 5.5954 5.5954 6.4139 6.4139 6.6421 6.6421 7.6651 7.6651 8.0786 8.0786 11.4610 11.4610 12.0526 12.0526 15.1635 15.1635 15.7384 15.7384 k = 0.4195 0.4280 0.3678 ( 1816 PWs) bands (ev): -3.8113 -3.8113 -3.5175 -3.5175 2.6492 2.6492 3.6512 3.6512 4.5649 4.5649 4.9341 4.9341 5.5379 5.5379 6.3894 6.3894 6.6278 6.6278 7.6753 7.6753 8.0138 8.0138 11.5069 11.5069 12.0853 12.0853 15.2522 15.2522 15.8523 15.8523 k = 0.4138 0.4380 0.3678 ( 1814 PWs) bands (ev): -3.7971 -3.7971 -3.5220 -3.5220 2.6947 2.6947 3.6354 3.6354 4.5765 4.5765 4.9232 4.9232 5.4880 5.4880 6.3652 6.3652 6.6122 6.6122 7.6804 7.6804 7.9545 7.9545 11.5535 11.5535 12.1144 12.1144 15.3472 15.3472 15.9685 15.9685 k = 0.4080 0.4479 0.3678 ( 1822 PWs) bands (ev): -3.7825 -3.7825 -3.5267 -3.5267 2.7431 2.7431 3.6206 3.6206 4.5701 4.5701 4.9209 4.9209 5.4471 5.4471 6.3403 6.3403 6.5952 6.5952 7.6793 7.6793 7.9031 7.9031 11.6006 11.6006 12.1393 12.1393 15.4479 15.4479 16.0859 16.0859 k = 0.4023 0.4579 0.3678 ( 1822 PWs) bands (ev): -3.7676 -3.7676 -3.5316 -3.5316 2.7942 2.7942 3.6068 3.6068 4.5422 4.5422 4.9309 4.9309 5.4157 5.4157 6.3138 6.3138 6.5769 6.5769 7.6707 7.6707 7.8619 7.8619 11.6479 11.6479 12.1601 12.1601 15.5535 15.5535 16.2038 16.2038 k = 0.3966 0.4679 0.3678 ( 1826 PWs) bands (ev): -3.7525 -3.7525 -3.5366 -3.5366 2.8479 2.8479 3.5941 3.5941 4.4944 4.4944 4.9529 4.9529 5.3931 5.3931 6.2848 6.2848 6.5576 6.5576 7.6545 7.6545 7.8322 7.8322 11.6952 11.6952 12.1766 12.1766 15.6631 15.6631 16.3213 16.3213 k = 0.3908 0.4778 0.3678 ( 1826 PWs) bands (ev): -3.7375 -3.7375 -3.5418 -3.5418 2.9042 2.9042 3.5822 3.5822 4.4317 4.4317 4.9835 4.9835 5.3785 5.3785 6.2525 6.2525 6.5379 6.5379 7.6327 7.6327 7.8125 7.8125 11.7420 11.7420 12.1888 12.1888 15.7756 15.7756 16.4376 16.4376 k = 0.3851 0.4878 0.3678 ( 1822 PWs) bands (ev): -3.7227 -3.7227 -3.5470 -3.5470 2.9628 2.9628 3.5714 3.5714 4.3589 4.3589 5.0190 5.0190 5.3709 5.3709 6.2163 6.2163 6.5185 6.5185 7.6091 7.6091 7.7995 7.7995 11.7881 11.7881 12.1970 12.1970 15.8897 15.8897 16.5518 16.5518 k = 0.3793 0.4977 0.3678 ( 1818 PWs) bands (ev): -3.7082 -3.7082 -3.5523 -3.5523 3.0236 3.0236 3.5615 3.5615 4.2800 4.2800 5.0566 5.0566 5.3695 5.3695 6.1760 6.1760 6.4999 6.4999 7.5869 7.5869 7.7903 7.7903 11.8331 11.8331 12.2014 12.2014 16.0040 16.0040 16.6629 16.6629 k = 0.3736 0.5077 0.3678 ( 1818 PWs) bands (ev): -3.6943 -3.6943 -3.5576 -3.5576 3.0864 3.0864 3.5527 3.5527 4.1978 4.1978 5.0939 5.0939 5.3741 5.3741 6.1317 6.1317 6.4827 6.4827 7.5680 7.5680 7.7829 7.7829 11.8764 11.8764 12.2021 12.2021 16.1169 16.1169 16.7698 16.7698 k = 0.3678 0.5176 0.3678 ( 1818 PWs) bands (ev): -3.6811 -3.6811 -3.5628 -3.5628 3.1506 3.1506 3.5449 3.5449 4.1144 4.1144 5.1288 5.1288 5.3848 5.3848 6.0842 6.0842 6.4672 6.4672 7.5533 7.5533 7.7762 7.7762 11.9178 11.9178 12.1997 12.1997 16.2265 16.2265 16.8705 16.8705 k = 0.3621 0.5276 0.3678 ( 1818 PWs) bands (ev): -3.6689 -3.6689 -3.5677 -3.5677 3.2157 3.2157 3.5383 3.5383 4.0315 4.0315 5.1591 5.1591 5.4018 5.4018 6.0348 6.0348 6.4537 6.4537 7.5427 7.5427 7.7699 7.7699 11.9565 11.9565 12.1945 12.1945 16.3307 16.3307 16.9621 16.9621 k = 0.3563 0.5375 0.3678 ( 1818 PWs) bands (ev): -3.6582 -3.6582 -3.5723 -3.5723 3.2804 3.2804 3.5336 3.5336 3.9508 3.9508 5.1835 5.1835 5.4245 5.4245 5.9852 5.9852 6.4424 6.4424 7.5360 7.5360 7.7637 7.7637 11.9918 11.9918 12.1870 12.1870 16.4264 16.4264 17.0395 17.0395 k = 0.3506 0.5475 0.3678 ( 1818 PWs) bands (ev): -3.6492 -3.6492 -3.5762 -3.5762 3.3424 3.3424 3.5320 3.5320 3.8739 3.8739 5.2016 5.2016 5.4507 5.4507 5.9383 5.9383 6.4333 6.4333 7.5326 7.5326 7.7579 7.7579 12.0229 12.0229 12.1780 12.1780 16.5099 16.5099 17.0953 17.0953 k = 0.3448 0.5574 0.3678 ( 1820 PWs) bands (ev): -3.6424 -3.6424 -3.5791 -3.5791 3.3958 3.3958 3.5369 3.5369 3.8035 3.8035 5.2139 5.2139 5.4767 5.4767 5.8978 5.8978 6.4265 6.4265 7.5314 7.5314 7.7530 7.7530 12.0481 12.0481 12.1689 12.1689 16.5761 16.5761 17.1244 17.1244 k = 0.3391 0.5674 0.3678 ( 1816 PWs) bands (ev): -3.6383 -3.6383 -3.5808 -3.5808 3.4302 3.4302 3.5525 3.5525 3.7462 3.7462 5.2209 5.2209 5.4965 5.4965 5.8693 5.8693 6.4222 6.4222 7.5316 7.5316 7.7494 7.7494 12.0651 12.0651 12.1617 12.1617 16.6187 16.6187 17.1327 17.1327 k = 0.3333 0.5774 0.3678 ( 1824 PWs) bands (ev): -3.6370 -3.6370 -3.5813 -3.5813 3.4405 3.4405 3.5654 3.5654 3.7206 3.7206 5.2232 5.2232 5.5041 5.5041 5.8588 5.8588 6.4207 6.4207 7.5320 7.5320 7.7480 7.7480 12.0711 12.0711 12.1590 12.1590 16.6331 16.6331 17.1336 17.1336 k = 0.3333 0.5774 0.3678 ( 1824 PWs) bands (ev): -3.6370 -3.6370 -3.5813 -3.5813 3.4405 3.4405 3.5654 3.5654 3.7206 3.7206 5.2232 5.2232 5.5041 5.5041 5.8588 5.8588 6.4207 6.4207 7.5320 7.5320 7.7480 7.7480 12.0711 12.0711 12.1590 12.1590 16.6331 16.6331 17.1336 17.1336 k = 0.3275 0.5672 0.3678 ( 1818 PWs) bands (ev): -3.6382 -3.6382 -3.5810 -3.5810 3.4320 3.4320 3.5500 3.5500 3.7470 3.7470 5.2208 5.2208 5.4965 5.4965 5.8696 5.8696 6.4224 6.4224 7.5312 7.5312 7.7497 7.7497 12.0656 12.0656 12.1609 12.1609 16.6195 16.6195 17.1322 17.1322 k = 0.3216 0.5571 0.3678 ( 1822 PWs) bands (ev): -3.6413 -3.6413 -3.5807 -3.5807 3.4079 3.4079 3.5237 3.5237 3.8046 3.8046 5.2130 5.2130 5.4773 5.4773 5.8989 5.8989 6.4278 6.4278 7.5283 7.5283 7.7555 7.7555 12.0520 12.0520 12.1637 12.1637 16.5839 16.5839 17.1225 17.1225 k = 0.3158 0.5470 0.3678 ( 1826 PWs) bands (ev): -3.6458 -3.6458 -3.5812 -3.5812 3.3714 3.3714 3.5037 3.5037 3.8727 3.8727 5.1992 5.1992 5.4537 5.4537 5.9404 5.9404 6.4377 6.4377 7.5225 7.5225 7.7657 7.7657 12.0336 12.0336 12.1637 12.1637 16.5341 16.5341 17.0977 17.0977 k = 0.3099 0.5368 0.3678 ( 1818 PWs) bands (ev): -3.6512 -3.6512 -3.5829 -3.5829 3.3295 3.3295 3.4900 3.4900 3.9440 3.9440 5.1791 5.1791 5.4315 5.4315 5.9886 5.9886 6.4529 6.4529 7.5136 7.5136 7.7805 7.7805 12.0126 12.0126 12.1587 12.1587 16.4764 16.4764 17.0584 17.0585 k = 0.3041 0.5267 0.3678 ( 1814 PWs) bands (ev): -3.6572 -3.6572 -3.5863 -3.5863 3.2876 3.2876 3.4793 3.4793 4.0156 4.0156 5.1529 5.1529 5.4140 5.4140 6.0397 6.0397 6.4744 6.4744 7.5020 7.5020 7.7994 7.7994 11.9898 11.9898 12.1476 12.1476 16.4147 16.4147 17.0101 17.0101 k = 0.2982 0.5166 0.3678 ( 1814 PWs) bands (ev): -3.6638 -3.6638 -3.5917 -3.5917 3.2485 3.2485 3.4698 3.4698 4.0857 4.0857 5.1222 5.1222 5.4022 5.4022 6.0907 6.0907 6.5034 6.5034 7.4883 7.4883 7.8219 7.8219 11.9657 11.9657 12.1296 12.1296 16.3516 16.3516 16.9578 16.9578 k = 0.2924 0.5064 0.3678 ( 1818 PWs) bands (ev): -3.6707 -3.6707 -3.5992 -3.5992 3.2137 3.2137 3.4605 3.4605 4.1530 4.1530 5.0891 5.0891 5.3959 5.3959 6.1398 6.1398 6.5411 6.5411 7.4729 7.4729 7.8474 7.8474 11.9407 11.9407 12.1047 12.1047 16.2884 16.2884 16.9049 16.9049 k = 0.2865 0.4963 0.3678 ( 1824 PWs) bands (ev): -3.6780 -3.6780 -3.6088 -3.6088 3.1838 3.1838 3.4510 3.4510 4.2161 4.2161 5.0557 5.0557 5.3946 5.3946 6.1857 6.1857 6.5881 6.5881 7.4567 7.4567 7.8755 7.8755 11.9148 11.9148 12.0726 12.0726 16.2261 16.2261 16.8530 16.8530 k = 0.2807 0.4862 0.3678 ( 1824 PWs) bands (ev): -3.6858 -3.6858 -3.6206 -3.6206 3.1594 3.1594 3.4410 3.4410 4.2740 4.2740 5.0237 5.0237 5.3977 5.3977 6.2282 6.2282 6.6444 6.6444 7.4403 7.4403 7.9055 7.9055 11.8878 11.8878 12.0339 12.0339 16.1654 16.1654 16.8031 16.8031 k = 0.2749 0.4761 0.3678 ( 1828 PWs) bands (ev): -3.6943 -3.6943 -3.6343 -3.6343 3.1406 3.1406 3.4304 3.4304 4.3254 4.3254 4.9943 4.9943 5.4048 5.4048 6.2675 6.2675 6.7094 6.7094 7.4244 7.4244 7.9372 7.9372 11.8593 11.8593 11.9892 11.9892 16.1065 16.1065 16.7555 16.7555 k = 0.2690 0.4659 0.3678 ( 1824 PWs) bands (ev): -3.7040 -3.7040 -3.6496 -3.6496 3.1274 3.1274 3.4190 3.4190 4.3695 4.3695 4.9684 4.9684 5.4158 5.4158 6.3047 6.3047 6.7820 6.7820 7.4099 7.4099 7.9702 7.9702 11.8276 11.8276 11.9405 11.9405 16.0496 16.0496 16.7100 16.7100 k = 0.2632 0.4558 0.3678 ( 1820 PWs) bands (ev): -3.7155 -3.7155 -3.6655 -3.6655 3.1200 3.1200 3.4068 3.4068 4.4055 4.4055 4.9464 4.9464 5.4304 5.4304 6.3405 6.3405 6.8612 6.8612 7.3976 7.3976 8.0042 8.0042 11.7898 11.7898 11.8912 11.8912 15.9950 15.9950 16.6667 16.6667 k = 0.2573 0.4457 0.3678 ( 1816 PWs) bands (ev): -3.7301 -3.7301 -3.6809 -3.6809 3.1181 3.1181 3.3941 3.3941 4.4335 4.4335 4.9285 4.9285 5.4481 5.4481 6.3756 6.3756 6.9457 6.9457 7.3886 7.3886 8.0390 8.0390 11.7408 11.7408 11.8469 11.8469 15.9426 15.9426 16.6253 16.6253 k = 0.2515 0.4355 0.3678 ( 1812 PWs) bands (ev): -3.7491 -3.7491 -3.6943 -3.6943 3.1216 3.1216 3.3808 3.3808 4.4536 4.4536 4.9146 4.9146 5.4682 5.4682 6.4104 6.4104 7.0348 7.0348 7.3840 7.3840 8.0743 8.0743 11.6783 11.6783 11.8104 11.8104 15.8925 15.8925 16.5854 16.5854 k = 0.2456 0.4254 0.3678 ( 1816 PWs) bands (ev): -3.7726 -3.7726 -3.7057 -3.7057 3.1301 3.1301 3.3673 3.3673 4.4668 4.4668 4.9042 4.9042 5.4898 5.4898 6.4446 6.4446 7.1275 7.1275 7.3853 7.3853 8.1101 8.1101 11.6045 11.6045 11.7800 11.7800 15.8448 15.8448 16.5471 16.5471 k = 0.2398 0.4153 0.3678 ( 1814 PWs) bands (ev): -3.8000 -3.8000 -3.7154 -3.7154 3.1432 3.1432 3.3540 3.3540 4.4742 4.4742 4.8969 4.8969 5.5120 5.5120 6.4777 6.4777 7.2224 7.2224 7.3946 7.3946 8.1461 8.1461 11.5228 11.5228 11.7531 11.7531 15.7993 15.7993 16.5102 16.5102 k = 0.2339 0.4052 0.3678 ( 1814 PWs) bands (ev): -3.8305 -3.8305 -3.7241 -3.7241 3.1601 3.1601 3.3415 3.3415 4.4768 4.4768 4.8922 4.8922 5.5339 5.5339 6.5091 6.5091 7.3159 7.3159 7.4166 7.4166 8.1823 8.1823 11.4351 11.4351 11.7283 11.7283 15.7561 15.7561 16.4748 16.4748 k = 0.2281 0.3950 0.3678 ( 1818 PWs) bands (ev): -3.8636 -3.8636 -3.7321 -3.7321 3.1795 3.1795 3.3312 3.3312 4.4760 4.4760 4.8896 4.8896 5.5546 5.5546 6.5379 6.5379 7.3925 7.3925 7.4672 7.4672 8.2185 8.2185 11.3430 11.3430 11.7048 11.7048 15.7152 15.7152 16.4408 16.4408 k = 0.2222 0.3849 0.3678 ( 1810 PWs) bands (ev): -3.8989 -3.8989 -3.7398 -3.7398 3.1988 3.1988 3.3252 3.3252 4.4726 4.4726 4.8890 4.8890 5.5735 5.5735 6.5632 6.5632 7.4425 7.4425 7.5567 7.5567 8.2548 8.2548 11.2475 11.2475 11.6824 11.6824 15.6765 15.6765 16.4084 16.4084 k = 0.2164 0.3748 0.3678 ( 1814 PWs) bands (ev): -3.9362 -3.9362 -3.7472 -3.7472 3.2137 3.2137 3.3278 3.3278 4.4675 4.4675 4.8902 4.8902 5.5902 5.5902 6.5847 6.5847 7.4895 7.4895 7.6611 7.6611 8.2911 8.2911 11.1494 11.1494 11.6606 11.6606 15.6400 15.6400 16.3777 16.3777 k = 0.2105 0.3646 0.3678 ( 1814 PWs) bands (ev): -3.9751 -3.9751 -3.7544 -3.7544 3.2200 3.2200 3.3427 3.3427 4.4614 4.4614 4.8932 4.8932 5.6046 5.6046 6.6022 6.6022 7.5423 7.5423 7.7708 7.7708 8.3277 8.3277 11.0498 11.0498 11.6395 11.6395 15.6057 15.6057 16.3487 16.3487 k = 0.2047 0.3545 0.3678 ( 1810 PWs) bands (ev): -4.0153 -4.0153 -3.7615 -3.7615 3.2181 3.2181 3.3693 3.3693 4.4550 4.4550 4.8979 4.8979 5.6165 5.6165 6.6162 6.6162 7.6016 7.6016 7.8835 7.8835 8.3648 8.3648 10.9495 10.9495 11.6189 11.6189 15.5736 15.5736 16.3217 16.3217 k = 0.1988 0.3444 0.3678 ( 1810 PWs) bands (ev): -4.0568 -4.0568 -3.7685 -3.7685 3.2117 3.2117 3.4033 3.4033 4.4488 4.4488 4.9042 4.9042 5.6263 5.6263 6.6273 6.6273 7.6661 7.6661 7.9981 7.9981 8.4027 8.4027 10.8494 10.8494 11.5988 11.5988 15.5437 15.5437 16.2966 16.2966 k = 0.1930 0.3343 0.3678 ( 1808 PWs) bands (ev): -4.0993 -4.0993 -3.7754 -3.7754 3.2034 3.2034 3.4413 3.4413 4.4435 4.4435 4.9123 4.9123 5.6341 5.6341 6.6362 6.6362 7.7338 7.7338 8.1139 8.1139 8.4422 8.4422 10.7507 10.7507 11.5793 11.5793 15.5160 15.5160 16.2735 16.2735 k = 0.1871 0.3241 0.3678 ( 1812 PWs) bands (ev): -4.1425 -4.1425 -3.7822 -3.7822 3.1949 3.1949 3.4811 3.4811 4.4397 4.4397 4.9220 4.9220 5.6404 5.6404 6.6438 6.6438 7.8025 7.8025 8.2298 8.2298 8.4844 8.4844 10.6543 10.6543 11.5603 11.5603 15.4905 15.4905 16.2521 16.2521 k = 0.1813 0.3140 0.3678 ( 1812 PWs) bands (ev): -4.1863 -4.1863 -3.7890 -3.7890 3.1869 3.1869 3.5209 3.5209 4.4381 4.4381 4.9333 4.9333 5.6456 5.6456 6.6507 6.6507 7.8695 7.8695 8.3437 8.3437 8.5311 8.5311 10.5617 10.5617 11.5419 11.5419 15.4673 15.4673 16.2325 16.2325 k = 0.1754 0.3039 0.3678 ( 1814 PWs) bands (ev): -4.2305 -4.2305 -3.7957 -3.7957 3.1799 3.1799 3.5594 3.5594 4.4393 4.4393 4.9463 4.9463 5.6502 5.6502 6.6577 6.6577 7.9323 7.9323 8.4513 8.4513 8.5867 8.5867 10.4745 10.4745 11.5243 11.5243 15.4464 15.4464 16.2144 16.2144 k = 0.1696 0.2937 0.3678 ( 1814 PWs) bands (ev): -4.2749 -4.2749 -3.8023 -3.8023 3.1741 3.1741 3.5952 3.5952 4.4438 4.4438 4.9611 4.9611 5.6548 5.6548 6.6652 6.6652 7.9885 7.9885 8.5432 8.5432 8.6597 8.6597 10.3945 10.3945 11.5076 11.5076 15.4278 15.4278 16.1974 16.1974 k = 0.1637 0.2836 0.3678 ( 1814 PWs) bands (ev): -4.3193 -4.3193 -3.8089 -3.8089 3.1698 3.1698 3.6273 3.6273 4.4519 4.4519 4.9780 4.9780 5.6597 5.6597 6.6737 6.6737 8.0361 8.0361 8.6142 8.6142 8.7540 8.7540 10.3242 10.3242 11.4922 11.4922 15.4117 15.4117 16.1810 16.1810 k = 0.1579 0.2735 0.3678 ( 1814 PWs) bands (ev): -4.3635 -4.3635 -3.8154 -3.8154 3.1671 3.1671 3.6545 3.6545 4.4637 4.4637 4.9973 4.9973 5.6654 5.6654 6.6836 6.6836 8.0736 8.0736 8.6718 8.6718 8.8592 8.8592 10.2661 10.2661 11.4784 11.4784 15.3979 15.3979 16.1648 16.1648 k = 0.1520 0.2634 0.3678 ( 1822 PWs) bands (ev): -4.4075 -4.4075 -3.8218 -3.8218 3.1660 3.1660 3.6765 3.6765 4.4786 4.4786 5.0195 5.0195 5.6724 5.6724 6.6954 6.6954 8.1006 8.1006 8.7215 8.7215 8.9665 8.9665 10.2235 10.2235 11.4667 11.4667 15.3868 15.3868 16.1480 16.1480 k = 0.1462 0.2532 0.3678 ( 1818 PWs) bands (ev): -4.4510 -4.4510 -3.8281 -3.8281 3.1666 3.1666 3.6930 3.6930 4.4958 4.4958 5.0454 5.0454 5.6808 5.6808 6.7092 6.7092 8.1169 8.1169 8.7632 8.7632 9.0715 9.0715 10.1993 10.1993 11.4578 11.4578 15.3782 15.3782 16.1301 16.1301 k = 0.1404 0.2431 0.3678 ( 1818 PWs) bands (ev): -4.4938 -4.4938 -3.8343 -3.8343 3.1688 3.1688 3.7041 3.7041 4.5139 4.5139 5.0754 5.0754 5.6910 5.6910 6.7256 6.7256 8.1226 8.1226 8.7953 8.7953 9.1718 9.1718 10.1961 10.1961 11.4523 11.4523 15.3722 15.3722 16.1102 16.1102 k = 0.1345 0.2330 0.3678 ( 1814 PWs) bands (ev): -4.5359 -4.5359 -3.8405 -3.8405 3.1727 3.1727 3.7104 3.7104 4.5316 4.5316 5.1104 5.1104 5.7030 5.7030 6.7447 6.7447 8.1181 8.1181 8.8160 8.8160 9.2660 9.2660 10.2152 10.2152 11.4513 11.4513 15.3690 15.3690 16.0878 16.0878 k = 0.1287 0.2228 0.3678 ( 1818 PWs) bands (ev): -4.5771 -4.5771 -3.8465 -3.8465 3.1781 3.1781 3.7125 3.7125 4.5475 4.5475 5.1506 5.1506 5.7169 5.7169 6.7670 6.7670 8.1039 8.1039 8.8254 8.8254 9.3525 9.3525 10.2559 10.2559 11.4557 11.4557 15.3684 15.3684 16.0624 16.0624 k = 0.1228 0.2127 0.3678 ( 1826 PWs) bands (ev): -4.6173 -4.6173 -3.8523 -3.8523 3.1849 3.1849 3.7111 3.7111 4.5605 4.5605 5.1959 5.1959 5.7324 5.7324 6.7928 6.7928 8.0804 8.0804 8.8247 8.8247 9.4301 9.4301 10.3164 10.3164 11.4665 11.4665 15.3704 15.3704 16.0337 16.0337 k = 0.1170 0.2026 0.3678 ( 1830 PWs) bands (ev): -4.6564 -4.6564 -3.8581 -3.8581 3.1932 3.1932 3.7070 3.7070 4.5702 4.5702 5.2459 5.2459 5.7496 5.7496 6.8225 6.8225 8.0482 8.0482 8.8162 8.8162 9.4972 9.4972 10.3934 10.3934 11.4849 11.4849 15.3748 15.3748 16.0017 16.0017 k = 0.1111 0.1925 0.3678 ( 1834 PWs) bands (ev): -4.6941 -4.6941 -3.8637 -3.8637 3.2026 3.2026 3.7009 3.7009 4.5765 4.5765 5.2997 5.2997 5.7680 5.7680 6.8566 6.8566 8.0082 8.0082 8.8023 8.8023 9.5526 9.5526 10.4839 10.4839 11.5116 11.5116 15.3812 15.3812 15.9668 15.9668 k = 0.1053 0.1823 0.3678 ( 1830 PWs) bands (ev): -4.7306 -4.7306 -3.8691 -3.8691 3.2130 3.2130 3.6934 3.6934 4.5795 4.5795 5.3563 5.3563 5.7875 5.7875 6.8953 6.8953 7.9613 7.9613 8.7853 8.7853 9.5948 9.5948 10.5850 10.5850 11.5470 11.5470 15.3890 15.3890 15.9300 15.9300 k = 0.0994 0.1722 0.3678 ( 1830 PWs) bands (ev): -4.7656 -4.7656 -3.8743 -3.8743 3.2242 3.2242 3.6851 3.6851 4.5796 4.5796 5.4144 5.4144 5.8077 5.8077 6.9390 6.9390 7.9088 7.9088 8.7667 8.7667 9.6230 9.6230 10.6943 10.6943 11.5911 11.5911 15.3969 15.3969 15.8928 15.8928 k = 0.0936 0.1621 0.3678 ( 1826 PWs) bands (ev): -4.7990 -4.7990 -3.8794 -3.8794 3.2360 3.2360 3.6765 3.6765 4.5773 4.5773 5.4730 5.4730 5.8283 5.8283 6.9880 6.9880 7.8521 7.8521 8.7476 8.7476 9.6367 9.6367 10.8101 10.8101 11.6432 11.6432 15.4028 15.4028 15.8577 15.8577 k = 0.0877 0.1519 0.3678 ( 1822 PWs) bands (ev): -4.8308 -4.8308 -3.8842 -3.8842 3.2481 3.2481 3.6680 3.6680 4.5732 4.5732 5.5309 5.5309 5.8491 5.8491 7.0422 7.0422 7.7927 7.7927 8.7286 8.7286 9.6363 9.6363 10.9307 10.9307 11.7021 11.7021 15.4037 15.4037 15.8284 15.8284 k = 0.0819 0.1418 0.3678 ( 1826 PWs) bands (ev): -4.8609 -4.8609 -3.8888 -3.8888 3.2603 3.2603 3.6599 3.6599 4.5677 4.5677 5.5872 5.5872 5.8697 5.8697 7.1016 7.1016 7.7321 7.7321 8.7100 8.7100 9.6223 9.6223 11.0550 11.0550 11.7664 11.7664 15.3955 15.3955 15.8091 15.8091 k = 0.0760 0.1317 0.3678 ( 1818 PWs) bands (ev): -4.8893 -4.8893 -3.8932 -3.8932 3.2722 3.2722 3.6525 3.6525 4.5612 4.5612 5.6411 5.6411 5.8900 5.8900 7.1654 7.1654 7.6722 7.6722 8.6920 8.6920 9.5957 9.5957 11.1818 11.1818 11.8343 11.8343 15.3746 15.3746 15.8039 15.8039 k = 0.0702 0.1215 0.3678 ( 1822 PWs) bands (ev): -4.9157 -4.9157 -3.8973 -3.8973 3.2837 3.2837 3.6462 3.6462 4.5542 4.5542 5.6919 5.6919 5.9096 5.9096 7.2317 7.2317 7.6160 7.6160 8.6746 8.6746 9.5578 9.5578 11.3100 11.3100 11.9038 11.9038 15.3398 15.3398 15.8142 15.8142 k = 0.0643 0.1114 0.3678 ( 1822 PWs) bands (ev): -4.9403 -4.9403 -3.9011 -3.9011 3.2943 3.2943 3.6411 3.6411 4.5469 4.5469 5.7390 5.7390 5.9287 5.9287 7.2952 7.2952 7.5695 7.5695 8.6580 8.6580 9.5096 9.5096 11.4384 11.4384 11.9734 11.9734 15.2924 15.2924 15.8388 15.8388 k = 0.0585 0.1013 0.3678 ( 1822 PWs) bands (ev): -4.9629 -4.9629 -3.9047 -3.9047 3.3040 3.3040 3.6374 3.6374 4.5396 4.5396 5.7821 5.7821 5.9471 5.9471 7.3402 7.3402 7.5486 7.5486 8.6420 8.6420 9.4526 9.4526 11.5660 11.5660 12.0414 12.0414 15.2354 15.2354 15.8749 15.8749 k = 0.0526 0.0912 0.3678 ( 1826 PWs) bands (ev): -4.9835 -4.9835 -3.9079 -3.9079 3.3124 3.3124 3.6350 3.6350 4.5325 4.5325 5.8207 5.8207 5.9649 5.9649 7.3434 7.3434 7.5773 7.5773 8.6267 8.6267 9.3879 9.3879 11.6913 11.6913 12.1064 12.1064 15.1716 15.1716 15.9197 15.9197 k = 0.0468 0.0810 0.3678 ( 1826 PWs) bands (ev): -5.0021 -5.0021 -3.9109 -3.9109 3.3197 3.3197 3.6338 3.6338 4.5258 4.5258 5.8545 5.8545 5.9821 5.9821 7.3142 7.3142 7.6458 7.6458 8.6119 8.6119 9.3169 9.3169 11.8129 11.8129 12.1672 12.1672 15.1036 15.1036 15.9709 15.9709 k = 0.0409 0.0709 0.3678 ( 1818 PWs) bands (ev): -5.0186 -5.0186 -3.9135 -3.9135 3.3256 3.3256 3.6338 3.6338 4.5196 4.5196 5.8834 5.8834 5.9989 5.9989 7.2754 7.2754 7.7318 7.7318 8.5976 8.5976 9.2406 9.2406 11.9291 11.9291 12.2230 12.2230 15.0336 15.0336 16.0265 16.0265 k = 0.0351 0.0608 0.3678 ( 1808 PWs) bands (ev): -5.0329 -5.0329 -3.9158 -3.9158 3.3303 3.3303 3.6347 3.6347 4.5141 4.5141 5.9072 5.9072 6.0151 6.0151 7.2362 7.2362 7.8255 7.8255 8.5832 8.5832 9.1608 9.1608 12.0378 12.0378 12.2731 12.2731 14.9641 14.9641 16.0848 16.0848 k = 0.0292 0.0506 0.3678 ( 1816 PWs) bands (ev): -5.0451 -5.0451 -3.9178 -3.9178 3.3340 3.3340 3.6361 3.6361 4.5093 4.5093 5.9261 5.9261 6.0303 6.0303 7.2003 7.2003 7.9229 7.9229 8.5682 8.5682 9.0792 9.0792 12.1364 12.1364 12.3169 12.3169 14.8975 14.8975 16.1441 16.1441 k = 0.0234 0.0405 0.3678 ( 1820 PWs) bands (ev): -5.0551 -5.0551 -3.9194 -3.9194 3.3366 3.3366 3.6379 3.6379 4.5054 4.5054 5.9407 5.9407 6.0440 6.0440 7.1694 7.1694 8.0219 8.0219 8.5510 8.5510 8.9985 8.9985 12.2218 12.2218 12.3546 12.3546 14.8367 14.8367 16.2033 16.2033 k = 0.0175 0.0304 0.3678 ( 1816 PWs) bands (ev): -5.0629 -5.0629 -3.9206 -3.9206 3.3385 3.3385 3.6396 3.6396 4.5022 4.5022 5.9514 5.9514 6.0555 6.0555 7.1444 7.1444 8.1204 8.1204 8.5289 8.5289 8.9231 8.9231 12.2904 12.2904 12.3865 12.3865 14.7848 14.7848 16.2613 16.2613 k = 0.0117 0.0203 0.3678 ( 1816 PWs) bands (ev): -5.0685 -5.0685 -3.9215 -3.9215 3.3397 3.3397 3.6411 3.6411 4.5000 4.5000 5.9587 5.9587 6.0642 6.0642 7.1261 7.1261 8.2162 8.2162 8.4975 8.4975 8.8597 8.8597 12.3387 12.3387 12.4129 12.4129 14.7448 14.7448 16.3175 16.3175 k = 0.0058 0.0101 0.3678 ( 1816 PWs) bands (ev): -5.0718 -5.0718 -3.9221 -3.9221 3.3404 3.3404 3.6420 3.6420 4.4986 4.4986 5.9629 5.9629 6.0697 6.0697 7.1150 7.1150 8.3060 8.3060 8.4511 8.4511 8.8168 8.8168 12.3657 12.3657 12.4321 12.4321 14.7195 14.7195 16.3711 16.3711 k = 0.0000 0.0000 0.3678 ( 1820 PWs) bands (ev): -5.0729 -5.0729 -3.9223 -3.9223 3.3406 3.3406 3.6423 3.6423 4.4982 4.4982 5.9643 5.9643 6.0715 6.0715 7.1112 7.1112 8.3786 8.3786 8.3938 8.3938 8.8017 8.8017 12.3741 12.3741 12.4393 12.4393 14.7109 14.7109 16.4093 16.4093 k = 0.5000 0.2887 0.3678 ( 1816 PWs) bands (ev): -3.9211 -3.9211 -3.4848 -3.4848 2.3355 2.3355 3.8956 3.8956 4.1715 4.1715 5.0019 5.0019 6.0883 6.0883 6.6618 6.6618 7.1393 7.1393 7.1612 7.1612 8.7256 8.7256 11.0907 11.0907 11.6595 11.6595 14.6403 14.6403 14.8707 14.8707 k = 0.5000 0.2887 0.3563 ( 1824 PWs) bands (ev): -3.9209 -3.9209 -3.4853 -3.4853 2.3363 2.3363 3.8957 3.8957 4.1723 4.1723 5.0033 5.0033 6.0882 6.0882 6.6616 6.6616 7.1364 7.1364 7.1620 7.1620 8.7211 8.7211 11.0938 11.0938 11.6613 11.6613 14.6171 14.6171 14.8879 14.8879 k = 0.5000 0.2887 0.3448 ( 1818 PWs) bands (ev): -3.9206 -3.9206 -3.4865 -3.4865 2.3389 2.3389 3.8961 3.8961 4.1750 4.1750 5.0076 5.0076 6.0880 6.0880 6.6612 6.6612 7.1286 7.1286 7.1635 7.1635 8.7076 8.7076 11.1030 11.1030 11.6667 11.6667 14.5613 14.5613 14.9260 14.9260 k = 0.5000 0.2887 0.3334 ( 1820 PWs) bands (ev): -3.9199 -3.9199 -3.4886 -3.4886 2.3432 2.3432 3.8966 3.8966 4.1793 4.1793 5.0148 5.0148 6.0876 6.0876 6.6605 6.6605 7.1172 7.1172 7.1644 7.1644 8.6853 8.6853 11.1183 11.1183 11.6750 11.6750 14.4904 14.4904 14.9692 14.9692 k = 0.5000 0.2887 0.3219 ( 1820 PWs) bands (ev): -3.9191 -3.9191 -3.4915 -3.4915 2.3492 2.3492 3.8974 3.8974 4.1854 4.1854 5.0248 5.0248 6.0871 6.0871 6.6594 6.6594 7.1027 7.1027 7.1644 7.1644 8.6548 8.6548 11.1394 11.1394 11.6856 11.6856 14.4131 14.4131 15.0108 15.0108 k = 0.5000 0.2887 0.3104 ( 1828 PWs) bands (ev): -3.9180 -3.9180 -3.4952 -3.4952 2.3567 2.3567 3.8985 3.8985 4.1932 4.1932 5.0376 5.0376 6.0865 6.0865 6.6580 6.6580 7.0852 7.0852 7.1635 7.1635 8.6166 8.6166 11.1661 11.1661 11.6972 11.6972 14.3341 14.3341 15.0489 15.0489 k = 0.5000 0.2887 0.2989 ( 1824 PWs) bands (ev): -3.9166 -3.9166 -3.4997 -3.4997 2.3657 2.3657 3.8998 3.8998 4.2026 4.2026 5.0531 5.0531 6.0857 6.0857 6.6563 6.6563 7.0650 7.0650 7.1617 7.1617 8.5715 8.5715 11.1981 11.1981 11.7087 11.7087 14.2568 14.2568 15.0832 15.0832 k = 0.5000 0.2887 0.2874 ( 1824 PWs) bands (ev): -3.9149 -3.9149 -3.5049 -3.5049 2.3762 2.3762 3.9016 3.9016 4.2137 4.2137 5.0712 5.0712 6.0849 6.0849 6.6541 6.6541 7.0423 7.0423 7.1590 7.1590 8.5201 8.5201 11.2352 11.2352 11.7183 11.7183 14.1841 14.1841 15.1139 15.1139 k = 0.5000 0.2887 0.2759 ( 1812 PWs) bands (ev): -3.9130 -3.9130 -3.5108 -3.5108 2.3879 2.3879 3.9037 3.9037 4.2265 4.2265 5.0919 5.0919 6.0840 6.0840 6.6516 6.6516 7.0172 7.0172 7.1554 7.1554 8.4633 8.4633 11.2769 11.2769 11.7245 11.7245 14.1186 14.1186 15.1415 15.1415 k = 0.5000 0.2887 0.2644 ( 1812 PWs) bands (ev): -3.9108 -3.9108 -3.5174 -3.5174 2.4008 2.4008 3.9062 3.9062 4.2409 4.2409 5.1150 5.1150 6.0831 6.0831 6.6485 6.6485 6.9900 6.9900 7.1510 7.1510 8.4018 8.4018 11.3228 11.3228 11.7257 11.7257 14.0626 14.0626 15.1666 15.1666 k = 0.5000 0.2887 0.2529 ( 1810 PWs) bands (ev): -3.9084 -3.9084 -3.5246 -3.5246 2.4147 2.4147 3.9091 3.9091 4.2569 4.2569 5.1405 5.1405 6.0821 6.0821 6.6449 6.6449 6.9610 6.9610 7.1458 7.1458 8.3365 8.3365 11.3726 11.3726 11.7203 11.7203 14.0181 14.0181 15.1897 15.1897 k = 0.5000 0.2887 0.2414 ( 1818 PWs) bands (ev): -3.9056 -3.9056 -3.5325 -3.5325 2.4295 2.4295 3.9125 3.9125 4.2744 4.2744 5.1681 5.1681 6.0812 6.0812 6.6406 6.6406 6.9305 6.9305 7.1399 7.1399 8.2683 8.2683 11.4257 11.4257 11.7073 11.7073 13.9867 13.9867 15.2112 15.2112 k = 0.5000 0.2887 0.2299 ( 1818 PWs) bands (ev): -3.9026 -3.9026 -3.5408 -3.5408 2.4450 2.4450 3.9163 3.9163 4.2935 4.2935 5.1977 5.1977 6.0802 6.0802 6.6355 6.6355 6.8989 6.8989 7.1330 7.1330 8.1978 8.1978 11.4815 11.4815 11.6860 11.6860 13.9695 13.9695 15.2316 15.2316 k = 0.5000 0.2887 0.2184 ( 1818 PWs) bands (ev): -3.8993 -3.8993 -3.5497 -3.5497 2.4610 2.4610 3.9206 3.9206 4.3142 4.3142 5.2292 5.2292 6.0793 6.0793 6.6292 6.6292 6.8667 6.8667 7.1253 7.1253 8.1258 8.1258 11.5385 11.5385 11.6573 11.6573 13.9669 13.9669 15.2513 15.2513 k = 0.5000 0.2887 0.2069 ( 1816 PWs) bands (ev): -3.8957 -3.8957 -3.5590 -3.5590 2.4774 2.4774 3.9253 3.9253 4.3363 4.3363 5.2623 5.2623 6.0785 6.0785 6.6216 6.6216 6.8345 6.8345 7.1166 7.1166 8.0531 8.0531 11.5853 11.5853 11.6326 11.6326 13.9786 13.9786 15.2705 15.2705 k = 0.5000 0.2887 0.1954 ( 1818 PWs) bands (ev): -3.8918 -3.8918 -3.5687 -3.5687 2.4939 2.4939 3.9304 3.9304 4.3599 4.3599 5.2969 5.2969 6.0778 6.0778 6.6120 6.6120 6.8030 6.8030 7.1069 7.1069 7.9805 7.9805 11.5614 11.5614 11.6726 11.6726 14.0040 14.0040 15.2896 15.2896 k = 0.5000 0.2887 0.1839 ( 1814 PWs) bands (ev): -3.8876 -3.8876 -3.5788 -3.5788 2.5105 2.5105 3.9359 3.9359 4.3848 4.3848 5.3327 5.3327 6.0773 6.0773 6.5998 6.5998 6.7731 6.7731 7.0961 7.0961 7.9087 7.9087 11.5108 11.5108 11.7341 11.7341 14.0416 14.0416 15.3089 15.3089 k = 0.5000 0.2887 0.1724 ( 1822 PWs) bands (ev): -3.8831 -3.8831 -3.5891 -3.5891 2.5269 2.5269 3.9417 3.9417 4.4111 4.4111 5.3694 5.3694 6.0769 6.0769 6.5841 6.5841 6.7460 6.7460 7.0840 7.0840 7.8385 7.8385 11.4534 11.4534 11.7980 11.7980 14.0901 14.0901 15.3288 15.3288 k = 0.5000 0.2887 0.1609 ( 1822 PWs) bands (ev): -3.8782 -3.8782 -3.5996 -3.5996 2.5429 2.5429 3.9477 3.9477 4.4384 4.4384 5.4068 5.4068 6.0767 6.0767 6.5643 6.5643 6.7225 6.7225 7.0706 7.0706 7.7706 7.7706 11.3921 11.3921 11.8625 11.8625 14.1476 14.1476 15.3496 15.3496 k = 0.5000 0.2887 0.1494 ( 1818 PWs) bands (ev): -3.8731 -3.8731 -3.6104 -3.6104 2.5585 2.5585 3.9539 3.9539 4.4668 4.4668 5.4445 5.4445 6.0767 6.0767 6.5401 6.5401 6.7032 6.7032 7.0557 7.0557 7.7058 7.7058 11.3286 11.3286 11.9268 11.9268 14.2124 14.2124 15.3717 15.3717 k = 0.5000 0.2887 0.1379 ( 1814 PWs) bands (ev): -3.8677 -3.8677 -3.6212 -3.6212 2.5735 2.5735 3.9602 3.9602 4.4959 4.4959 5.4822 5.4822 6.0769 6.0769 6.5120 6.5120 6.6878 6.6878 7.0392 7.0392 7.6447 7.6447 11.2644 11.2644 11.9901 11.9901 14.2826 14.2826 15.3958 15.3958 k = 0.5000 0.2887 0.1264 ( 1814 PWs) bands (ev): -3.8621 -3.8621 -3.6321 -3.6321 2.5877 2.5877 3.9666 3.9666 4.5256 4.5256 5.5196 5.5196 6.0773 6.0773 6.4809 6.4809 6.6759 6.6759 7.0210 7.0210 7.5881 7.5881 11.2009 11.2009 12.0519 12.0519 14.3560 14.3560 15.4224 15.4224 k = 0.5000 0.2887 0.1149 ( 1818 PWs) bands (ev): -3.8562 -3.8562 -3.6429 -3.6429 2.6010 2.6010 3.9728 3.9728 4.5554 4.5554 5.5561 5.5561 6.0780 6.0780 6.4479 6.4479 6.6667 6.6667 7.0010 7.0010 7.5365 7.5365 11.1392 11.1392 12.1114 12.1114 14.4308 14.4308 15.4522 15.4522 k = 0.5000 0.2887 0.1035 ( 1820 PWs) bands (ev): -3.8500 -3.8500 -3.6536 -3.6536 2.6133 2.6133 3.9788 3.9788 4.5851 4.5851 5.5914 5.5914 6.0789 6.0789 6.4140 6.4140 6.6596 6.6596 6.9795 6.9795 7.4904 7.4904 11.0804 11.0804 12.1681 12.1681 14.5047 14.5047 15.4860 15.4860 k = 0.5000 0.2887 0.0920 ( 1824 PWs) bands (ev): -3.8437 -3.8437 -3.6642 -3.6642 2.6246 2.6246 3.9846 3.9846 4.6142 4.6142 5.6251 5.6251 6.0802 6.0802 6.3801 6.3801 6.6544 6.6544 6.9567 6.9567 7.4500 7.4500 11.0255 11.0255 12.2212 12.2212 14.5757 14.5757 15.5243 15.5243 k = 0.5000 0.2887 0.0805 ( 1830 PWs) bands (ev): -3.8372 -3.8372 -3.6745 -3.6745 2.6346 2.6346 3.9899 3.9899 4.6420 4.6420 5.6566 5.6566 6.0818 6.0818 6.3469 6.3469 6.6509 6.6509 6.9331 6.9331 7.4154 7.4154 10.9752 10.9752 12.2702 12.2702 14.6416 14.6416 15.5676 15.5676 k = 0.5000 0.2887 0.0690 ( 1834 PWs) bands (ev): -3.8307 -3.8307 -3.6844 -3.6844 2.6435 2.6435 3.9948 3.9948 4.6682 4.6682 5.6853 5.6853 6.0839 6.0839 6.3151 6.3151 6.6490 6.6490 6.9093 6.9093 7.3863 7.3863 10.9302 10.9302 12.3142 12.3142 14.7006 14.7006 15.6156 15.6156 k = 0.5000 0.2887 0.0575 ( 1834 PWs) bands (ev): -3.8243 -3.8243 -3.6937 -3.6937 2.6511 2.6511 3.9991 3.9991 4.6919 4.6919 5.7109 5.7109 6.0864 6.0864 6.2855 6.2855 6.6486 6.6486 6.8862 6.8862 7.3626 7.3626 10.8911 10.8911 12.3528 12.3528 14.7514 14.7514 15.6671 15.6671 k = 0.5000 0.2887 0.0460 ( 1840 PWs) bands (ev): -3.8182 -3.8182 -3.7022 -3.7022 2.6573 2.6573 4.0027 4.0027 4.7125 4.7125 5.7327 5.7327 6.0894 6.0894 6.2589 6.2589 6.6494 6.6494 6.8647 6.8647 7.3438 7.3438 10.8585 10.8585 12.3852 12.3852 14.7930 14.7930 15.7196 15.7196 k = 0.5000 0.2887 0.0345 ( 1842 PWs) bands (ev): -3.8127 -3.8127 -3.7096 -3.7096 2.6622 2.6622 4.0056 4.0056 4.7294 4.7294 5.7503 5.7503 6.0927 6.0927 6.2361 6.2361 6.6512 6.6512 6.8460 6.8460 7.3297 7.3297 10.8326 10.8326 12.4111 12.4111 14.8251 14.8251 15.7694 15.7694 k = 0.5000 0.2887 0.0230 ( 1842 PWs) bands (ev): -3.8082 -3.8082 -3.7155 -3.7155 2.6657 2.6657 4.0077 4.0077 4.7420 4.7420 5.7632 5.7632 6.0961 6.0961 6.2182 6.2182 6.6534 6.6534 6.8313 6.8313 7.3198 7.3198 10.8140 10.8140 12.4299 12.4299 14.8478 14.8478 15.8112 15.8112 k = 0.5000 0.2887 0.0115 ( 1842 PWs) bands (ev): -3.8052 -3.8052 -3.7194 -3.7194 2.6678 2.6678 4.0089 4.0089 4.7498 4.7498 5.7710 5.7710 6.0988 6.0988 6.2066 6.2066 6.6552 6.6552 6.8217 6.8217 7.3140 7.3140 10.8027 10.8027 12.4413 12.4413 14.8613 14.8613 15.8395 15.8395 k = 0.5000 0.2887-0.0000 ( 1840 PWs) bands (ev): -3.8041 -3.8041 -3.7207 -3.7207 2.6685 2.6685 4.0094 4.0094 4.7524 4.7524 5.7737 5.7737 6.0999 6.0999 6.2025 6.2025 6.6559 6.6559 6.8184 6.8184 7.3121 7.3121 10.7989 10.7989 12.4452 12.4452 14.8658 14.8658 15.8495 15.8495 k = 0.3333 0.5774-0.0000 ( 1827 PWs) bands (ev): -3.6674 -3.6674 -3.6074 -3.6074 3.1073 3.1073 3.7180 3.7180 3.9255 3.9255 4.9700 4.9700 5.5293 5.5293 6.2171 6.2171 7.3369 7.3369 8.1237 8.1237 8.3330 8.3330 10.0899 10.0899 10.2330 10.2330 14.1441 14.1441 17.7255 17.7255 k = 0.3333 0.5774 0.0115 ( 1827 PWs) bands (ev): -3.6673 -3.6673 -3.6074 -3.6074 3.1084 3.1084 3.7174 3.7174 3.9244 3.9244 4.9708 4.9708 5.5292 5.5292 6.2174 6.2174 7.3334 7.3334 8.1214 8.1214 8.3304 8.3304 10.0953 10.0953 10.2377 10.2377 14.1494 14.1494 17.7255 17.7255 k = 0.3333 0.5774 0.0230 ( 1827 PWs) bands (ev): -3.6671 -3.6671 -3.6072 -3.6072 3.1116 3.1116 3.7153 3.7153 3.9212 3.9212 4.9733 4.9733 5.5289 5.5289 6.2183 6.2183 7.3232 7.3232 8.1146 8.1146 8.3228 8.3228 10.1112 10.1112 10.2515 10.2515 14.1653 14.1653 17.7257 17.7257 k = 0.3333 0.5774 0.0345 ( 1821 PWs) bands (ev): -3.6668 -3.6668 -3.6069 -3.6069 3.1169 3.1169 3.7120 3.7120 3.9159 3.9159 4.9772 4.9772 5.5284 5.5284 6.2199 6.2199 7.3063 7.3063 8.1036 8.1036 8.3104 8.3104 10.1375 10.1375 10.2744 10.2744 14.1917 14.1917 17.7260 17.7260 k = 0.3333 0.5774 0.0460 ( 1818 PWs) bands (ev): -3.6663 -3.6663 -3.6064 -3.6064 3.1244 3.1244 3.7073 3.7073 3.9086 3.9086 4.9827 4.9827 5.5277 5.5277 6.2220 6.2220 7.2829 7.2829 8.0886 8.0886 8.2938 8.2938 10.1735 10.1735 10.3058 10.3058 14.2283 14.2283 17.7264 17.7264 k = 0.3333 0.5774 0.0575 ( 1824 PWs) bands (ev): -3.6656 -3.6656 -3.6059 -3.6059 3.1338 3.1338 3.7015 3.7015 3.8994 3.8994 4.9895 4.9895 5.5268 5.5268 6.2247 6.2247 7.2535 7.2535 8.0700 8.0700 8.2736 8.2736 10.2184 10.2184 10.3452 10.3452 14.2747 14.2747 17.7269 17.7269 k = 0.3333 0.5774 0.0690 ( 1836 PWs) bands (ev): -3.6649 -3.6649 -3.6052 -3.6052 3.1454 3.1454 3.6944 3.6944 3.8886 3.8886 4.9976 4.9976 5.5258 5.5258 6.2278 6.2278 7.2183 7.2183 8.0484 8.0484 8.2502 8.2502 10.2717 10.2717 10.3922 10.3922 14.3305 14.3305 17.7275 17.7275 k = 0.3333 0.5774 0.0805 ( 1836 PWs) bands (ev): -3.6640 -3.6640 -3.6045 -3.6045 3.1589 3.1589 3.6863 3.6863 3.8762 3.8762 5.0068 5.0068 5.5246 5.5246 6.2314 6.2314 7.1779 7.1779 8.0243 8.0243 8.2245 8.2245 10.3324 10.3324 10.4460 10.4460 14.3954 14.3954 17.7282 17.7282 k = 0.3333 0.5774 0.0920 ( 1836 PWs) bands (ev): -3.6630 -3.6630 -3.6036 -3.6036 3.1743 3.1743 3.6772 3.6772 3.8626 3.8626 5.0169 5.0169 5.5233 5.5233 6.2352 6.2352 7.1328 7.1328 7.9982 7.9982 8.1970 8.1970 10.3999 10.3999 10.5060 10.5060 14.4686 14.4686 17.7289 17.7289 k = 0.3333 0.5774 0.1035 ( 1836 PWs) bands (ev): -3.6619 -3.6619 -3.6027 -3.6027 3.1916 3.1916 3.6672 3.6672 3.8477 3.8477 5.0277 5.0277 5.5219 5.5219 6.2392 6.2392 7.0834 7.0834 7.9706 7.9706 8.1682 8.1682 10.4732 10.4732 10.5715 10.5715 14.5497 14.5497 17.7298 17.7298 k = 0.3333 0.5774 0.1149 ( 1836 PWs) bands (ev): -3.6607 -3.6607 -3.6017 -3.6017 3.2107 3.2107 3.6565 3.6565 3.8320 3.8320 5.0392 5.0392 5.5204 5.5204 6.2432 6.2432 7.0305 7.0305 7.9419 7.9419 8.1387 8.1387 10.5518 10.5518 10.6419 10.6419 14.6380 14.6380 17.7307 17.7307 k = 0.3333 0.5774 0.1264 ( 1836 PWs) bands (ev): -3.6594 -3.6594 -3.6006 -3.6006 3.2315 3.2315 3.6451 3.6451 3.8154 3.8154 5.0512 5.0512 5.5189 5.5189 6.2471 6.2471 6.9747 6.9747 7.9125 7.9125 8.1090 8.1090 10.6347 10.6347 10.7165 10.7165 14.7328 14.7328 17.7316 17.7316 k = 0.3333 0.5774 0.1379 ( 1830 PWs) bands (ev): -3.6581 -3.6581 -3.5994 -3.5994 3.2538 3.2538 3.6332 3.6332 3.7984 3.7984 5.0634 5.0634 5.5173 5.5173 6.2507 6.2507 6.9166 6.9166 7.8829 7.8829 8.0792 8.0792 10.7216 10.7216 10.7947 10.7947 14.8335 14.8335 17.7325 17.7325 k = 0.3333 0.5774 0.1494 ( 1830 PWs) bands (ev): -3.6567 -3.6567 -3.5982 -3.5982 3.2776 3.2776 3.6210 3.6210 3.7810 3.7810 5.0758 5.0758 5.5157 5.5157 6.2537 6.2537 6.8569 6.8569 7.8534 7.8534 8.0499 8.0499 10.8115 10.8115 10.8758 10.8758 14.9392 14.9392 17.7334 17.7334 k = 0.3333 0.5774 0.1609 ( 1830 PWs) bands (ev): -3.6553 -3.6553 -3.5970 -3.5970 3.3026 3.3026 3.6086 3.6086 3.7634 3.7634 5.0883 5.0883 5.5142 5.5142 6.2557 6.2557 6.7967 6.7967 7.8242 7.8242 8.0213 8.0213 10.9040 10.9040 10.9592 10.9592 15.0492 15.0492 17.7342 17.7342 k = 0.3333 0.5774 0.1724 ( 1818 PWs) bands (ev): -3.6538 -3.6538 -3.5957 -3.5957 3.3287 3.3287 3.5961 3.5961 3.7458 3.7458 5.1007 5.1007 5.5126 5.5126 6.2563 6.2563 6.7367 6.7367 7.7957 7.7957 7.9935 7.9935 10.9984 10.9984 11.0443 11.0443 15.1627 15.1627 17.7350 17.7350 k = 0.3333 0.5774 0.1839 ( 1818 PWs) bands (ev): -3.6523 -3.6523 -3.5944 -3.5944 3.3556 3.3556 3.5840 3.5840 3.7284 3.7284 5.1129 5.1129 5.5111 5.5111 6.2547 6.2547 6.6781 6.6781 7.7680 7.7680 7.9668 7.9668 11.0941 11.0941 11.1306 11.1306 15.2789 15.2789 17.7354 17.7354 k = 0.3333 0.5774 0.1954 ( 1824 PWs) bands (ev): -3.6508 -3.6508 -3.5931 -3.5931 3.3828 3.3828 3.5723 3.5723 3.7112 3.7112 5.1248 5.1248 5.5097 5.5097 6.2500 6.2500 6.6225 6.6225 7.7413 7.7413 7.9413 7.9413 11.1903 11.1903 11.2172 11.2172 15.3969 15.3969 17.7355 17.7355 k = 0.3333 0.5774 0.2069 ( 1830 PWs) bands (ev): -3.6493 -3.6493 -3.5919 -3.5919 3.4099 3.4099 3.5617 3.5617 3.6946 3.6946 5.1363 5.1363 5.5084 5.5084 6.2408 6.2408 6.5716 6.5716 7.7158 7.7158 7.9171 7.9171 11.2865 11.2865 11.3036 11.3036 15.5159 15.5159 17.7349 17.7349 k = 0.3333 0.5774 0.2184 ( 1845 PWs) bands (ev): -3.6479 -3.6479 -3.5906 -3.5906 3.4357 3.4357 3.5530 3.5530 3.6785 3.6785 5.1474 5.1474 5.5072 5.5072 6.2255 6.2255 6.5276 6.5276 7.6916 7.6916 7.8943 7.8943 11.3820 11.3820 11.3891 11.3891 15.6347 15.6347 17.7331 17.7331 k = 0.3333 0.5774 0.2299 ( 1845 PWs) bands (ev): -3.6465 -3.6465 -3.5894 -3.5894 3.4582 3.4582 3.5483 3.5483 3.6631 3.6631 5.1579 5.1579 5.5061 5.5061 6.2028 6.2028 6.4921 6.4921 7.6688 7.6688 7.8730 7.8730 11.4731 11.4731 11.4760 11.4760 15.7524 15.7524 17.7287 17.7287 k = 0.3333 0.5774 0.2414 ( 1839 PWs) bands (ev): -3.6451 -3.6451 -3.5882 -3.5882 3.4735 3.4735 3.5511 3.5511 3.6485 3.6485 5.1677 5.1677 5.5051 5.5051 6.1726 6.1726 6.4659 6.4659 7.6476 7.6476 7.8533 7.8533 11.5546 11.5546 11.5676 11.5676 15.8680 15.8680 17.7171 17.7171 k = 0.3333 0.5774 0.2529 ( 1833 PWs) bands (ev): -3.6438 -3.6438 -3.5871 -3.5871 3.4787 3.4787 3.5641 3.5641 3.6349 3.6349 5.1770 5.1770 5.5044 5.5044 6.1363 6.1363 6.4479 6.4479 7.6280 7.6280 7.8352 7.8352 11.6331 11.6331 11.6561 11.6561 15.9802 15.9802 17.6839 17.6839 k = 0.3333 0.5774 0.2644 ( 1827 PWs) bands (ev): -3.6426 -3.6426 -3.5861 -3.5861 3.4767 3.4767 3.5843 3.5843 3.6222 3.6222 5.1855 5.1855 5.5037 5.5037 6.0964 6.0964 6.4363 6.4363 7.6101 7.6101 7.8188 7.8188 11.7077 11.7077 11.7406 11.7406 16.0878 16.0878 17.6163 17.6163 k = 0.3333 0.5774 0.2759 ( 1830 PWs) bands (ev): -3.6415 -3.6415 -3.5851 -3.5851 3.4716 3.4716 3.6071 3.6071 3.6107 3.6107 5.1932 5.1932 5.5033 5.5033 6.0553 6.0553 6.4292 6.4292 7.5939 7.5939 7.8040 7.8040 11.7774 11.7774 11.8200 11.8200 16.1894 16.1894 17.5334 17.5334 k = 0.3333 0.5774 0.2874 ( 1830 PWs) bands (ev): -3.6405 -3.6405 -3.5843 -3.5843 3.4655 3.4655 3.6004 3.6004 3.6301 3.6301 5.2001 5.2001 5.5031 5.5031 6.0150 6.0150 6.4249 6.4249 7.5795 7.5795 7.7909 7.7909 11.8416 11.8416 11.8934 11.8934 16.2839 16.2839 17.4507 17.4507 k = 0.3333 0.5774 0.2989 ( 1821 PWs) bands (ev): -3.6396 -3.6396 -3.5835 -3.5835 3.4595 3.4595 3.5913 3.5913 3.6518 3.6518 5.2061 5.2061 5.5030 5.5030 5.9773 5.9773 6.4226 6.4226 7.5670 7.5670 7.7795 7.7795 11.8994 11.8994 11.9598 11.9598 16.3698 16.3698 17.3737 17.3737 k = 0.3333 0.5774 0.3104 ( 1827 PWs) bands (ev): -3.6388 -3.6388 -3.5828 -3.5828 3.4540 3.4540 3.5835 3.5835 3.6715 3.6715 5.2113 5.2113 5.5031 5.5031 5.9433 5.9433 6.4213 6.4213 7.5563 7.5563 7.7699 7.7699 11.9500 11.9500 12.0181 12.0181 16.4458 16.4458 17.3048 17.3048 k = 0.3333 0.5774 0.3219 ( 1827 PWs) bands (ev): -3.6382 -3.6382 -3.5823 -3.5823 3.4493 3.4493 3.5770 3.5770 3.6885 3.6885 5.2156 5.2156 5.5033 5.5033 5.9141 5.9141 6.4208 6.4208 7.5476 7.5476 7.7620 7.7620 11.9925 11.9925 12.0675 12.0675 16.5106 16.5106 17.2457 17.2457 k = 0.3333 0.5774 0.3334 ( 1821 PWs) bands (ev): -3.6376 -3.6376 -3.5818 -3.5818 3.4455 3.4455 3.5720 3.5720 3.7022 3.7022 5.2189 5.2189 5.5035 5.5035 5.8904 5.8904 6.4206 6.4206 7.5408 7.5408 7.7559 7.7559 12.0264 12.0264 12.1069 12.1069 16.5629 16.5629 17.1980 17.1980 k = 0.3333 0.5774 0.3448 ( 1821 PWs) bands (ev): -3.6373 -3.6373 -3.5815 -3.5815 3.4427 3.4427 3.5683 3.5683 3.7123 3.7123 5.2213 5.2213 5.5038 5.5038 5.8730 5.8730 6.4206 6.4206 7.5359 7.5359 7.7515 7.7515 12.0511 12.0511 12.1356 12.1356 16.6014 16.6014 17.1627 17.1627 k = 0.3333 0.5774 0.3563 ( 1824 PWs) bands (ev): -3.6371 -3.6371 -3.5813 -3.5813 3.4410 3.4410 3.5662 3.5662 3.7185 3.7185 5.2228 5.2228 5.5040 5.5040 5.8624 5.8624 6.4207 6.4207 7.5329 7.5329 7.7488 7.7488 12.0660 12.0660 12.1531 12.1531 16.6251 16.6251 17.1410 17.1410 k = 0.3333 0.5774 0.3678 ( 1824 PWs) bands (ev): -3.6370 -3.6370 -3.5813 -3.5813 3.4405 3.4405 3.5654 3.5654 3.7206 3.7206 5.2232 5.2232 5.5041 5.5041 5.8588 5.8588 6.4207 6.4207 7.5320 7.5320 7.7480 7.7480 12.0711 12.0711 12.1590 12.1590 16.6331 16.6331 17.1336 17.1336 Writing output data file PtSe2.save init_run : 0.18s CPU 0.33s WALL ( 1 calls) electrons : 60.38s CPU 61.81s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 60.37s CPU 61.80s 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 : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 375 calls) cegterg : 55.87s CPU 56.91s WALL ( 438 calls) Called by sum_band: Called by *egterg: h_psi : 29.62s CPU 30.62s WALL ( 7203 calls) s_psi : 0.93s CPU 0.91s WALL ( 7203 calls) g_psi : 0.07s CPU 0.08s WALL ( 6390 calls) cdiaghg : 24.37s CPU 24.45s WALL ( 6765 calls) cegterg:over : 1.61s CPU 1.76s WALL ( 6390 calls) cegterg:upda : 1.19s CPU 1.21s WALL ( 6390 calls) cegterg:last : 0.74s CPU 0.74s WALL ( 1408 calls) cdiaghg:chol : 1.04s CPU 1.23s WALL ( 6765 calls) cdiaghg:inve : 0.55s CPU 0.65s WALL ( 6765 calls) cdiaghg:para : 1.33s CPU 1.38s WALL ( 13530 calls) Called by h_psi: h_psi:vloc : 27.60s CPU 28.33s WALL ( 7203 calls) h_psi:vnl : 2.00s CPU 2.26s WALL ( 7203 calls) add_vuspsi : 1.04s CPU 1.17s WALL ( 7203 calls) General routines calbec : 0.94s CPU 1.07s WALL ( 7203 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 25.60s CPU 26.36s WALL ( 520140 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.11s WALL ( 750 calls) Parallel routines fft_scatter : 10.65s CPU 10.86s WALL ( 520163 calls) PWSCF : 1m 8.60s CPU 1m21.44s WALL This run was terminated on: 21: 9:18 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=