Program PWSCF v.5.1.1 starts on 19Jul2015 at 16:55:32 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./HfS2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 17 12 3 675 411 65 Max 18 13 4 688 429 74 Sum 847 613 187 32775 20125 3345 bravais-lattice index = 14 lattice parameter (alat) = 6.8446 a.u. unit-cell volume = 448.3647 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 266.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.844588 celldm(2)= 1.000000 celldm(3)= 1.614578 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 1.614578 ) 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 0.619357 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Hf read from file: /home/autes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Hf 12.00 178.49000 Hf( 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 3s_v -3s_v i -i 2S6 -2S6 3C2' -3C2' 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 3s_v -3s_v i -i 2S6 -2S6 3C2' -3C2' 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: E 1 3C2' 2 5 -6 2C3 3 4 3C2' 6 -5 -2 i 7 3s_v 8 11 -12 2S6 9 10 3s_v 12 -11 -8 -E -1 -2C3 -3 -4 -i -7 -2S6 -9 -10 Cartesian axes number of k points= 366 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 2) = ( 0.0098039 0.0056603 -0.0000000), wk = 0.0027322 k( 3) = ( 0.0196078 0.0113206 -0.0000000), wk = 0.0027322 k( 4) = ( 0.0294118 0.0169809 -0.0000000), wk = 0.0027322 k( 5) = ( 0.0392157 0.0226412 -0.0000000), wk = 0.0027322 k( 6) = ( 0.0490196 0.0283015 -0.0000000), wk = 0.0027322 k( 7) = ( 0.0588235 0.0339618 -0.0000000), wk = 0.0027322 k( 8) = ( 0.0686275 0.0396221 -0.0000000), wk = 0.0027322 k( 9) = ( 0.0784314 0.0452824 -0.0000000), wk = 0.0027322 k( 10) = ( 0.0882353 0.0509427 -0.0000000), wk = 0.0027322 k( 11) = ( 0.0980392 0.0566030 -0.0000000), wk = 0.0027322 k( 12) = ( 0.1078431 0.0622633 -0.0000000), wk = 0.0027322 k( 13) = ( 0.1176471 0.0679236 -0.0000000), wk = 0.0027322 k( 14) = ( 0.1274510 0.0735839 -0.0000000), wk = 0.0027322 k( 15) = ( 0.1372549 0.0792442 -0.0000000), wk = 0.0027322 k( 16) = ( 0.1470588 0.0849044 -0.0000000), wk = 0.0027322 k( 17) = ( 0.1568627 0.0905648 -0.0000000), wk = 0.0027322 k( 18) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0027322 k( 19) = ( 0.1764706 0.1018853 -0.0000000), wk = 0.0027322 k( 20) = ( 0.1862745 0.1075456 -0.0000000), wk = 0.0027322 k( 21) = ( 0.1960784 0.1132059 -0.0000000), wk = 0.0027322 k( 22) = ( 0.2058823 0.1188662 -0.0000000), wk = 0.0027322 k( 23) = ( 0.2156863 0.1245265 -0.0000000), wk = 0.0027322 k( 24) = ( 0.2254902 0.1301868 -0.0000000), wk = 0.0027322 k( 25) = ( 0.2352941 0.1358471 -0.0000000), wk = 0.0027322 k( 26) = ( 0.2450980 0.1415074 -0.0000000), wk = 0.0027322 k( 27) = ( 0.2549020 0.1471677 -0.0000000), wk = 0.0027322 k( 28) = ( 0.2647059 0.1528280 -0.0000000), wk = 0.0027322 k( 29) = ( 0.2745098 0.1584883 -0.0000000), wk = 0.0027322 k( 30) = ( 0.2843137 0.1641486 -0.0000000), wk = 0.0027322 k( 31) = ( 0.2941177 0.1698089 -0.0000000), wk = 0.0027322 k( 32) = ( 0.3039216 0.1754692 -0.0000000), wk = 0.0027322 k( 33) = ( 0.3137255 0.1811295 -0.0000000), wk = 0.0027322 k( 34) = ( 0.3235294 0.1867898 -0.0000000), wk = 0.0027322 k( 35) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0027322 k( 36) = ( 0.3431373 0.1981104 -0.0000000), wk = 0.0027322 k( 37) = ( 0.3529412 0.2037707 -0.0000000), wk = 0.0027322 k( 38) = ( 0.3627451 0.2094310 -0.0000000), wk = 0.0027322 k( 39) = ( 0.3725490 0.2150913 -0.0000000), wk = 0.0027322 k( 40) = ( 0.3823529 0.2207516 -0.0000000), wk = 0.0027322 k( 41) = ( 0.3921569 0.2264119 -0.0000000), wk = 0.0027322 k( 42) = ( 0.4019608 0.2320722 -0.0000000), wk = 0.0027322 k( 43) = ( 0.4117647 0.2377325 -0.0000000), wk = 0.0027322 k( 44) = ( 0.4215686 0.2433928 -0.0000000), wk = 0.0027322 k( 45) = ( 0.4313726 0.2490531 -0.0000000), wk = 0.0027322 k( 46) = ( 0.4411765 0.2547134 -0.0000000), wk = 0.0027322 k( 47) = ( 0.4509804 0.2603736 -0.0000000), wk = 0.0027322 k( 48) = ( 0.4607843 0.2660339 -0.0000000), wk = 0.0027322 k( 49) = ( 0.4705882 0.2716942 -0.0000000), wk = 0.0027322 k( 50) = ( 0.4803922 0.2773545 -0.0000000), wk = 0.0027322 k( 51) = ( 0.4901961 0.2830148 -0.0000000), wk = 0.0027322 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027322 k( 53) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027322 k( 54) = ( 0.4942529 0.2986294 -0.0000000), wk = 0.0027322 k( 55) = ( 0.4885058 0.3085838 -0.0000000), wk = 0.0027322 k( 56) = ( 0.4827586 0.3185381 -0.0000000), wk = 0.0027322 k( 57) = ( 0.4770115 0.3284924 -0.0000000), wk = 0.0027322 k( 58) = ( 0.4712644 0.3384467 -0.0000000), wk = 0.0027322 k( 59) = ( 0.4655172 0.3484010 -0.0000000), wk = 0.0027322 k( 60) = ( 0.4597701 0.3583553 -0.0000000), wk = 0.0027322 k( 61) = ( 0.4540230 0.3683097 -0.0000000), wk = 0.0027322 k( 62) = ( 0.4482759 0.3782640 -0.0000000), wk = 0.0027322 k( 63) = ( 0.4425287 0.3882183 -0.0000000), wk = 0.0027322 k( 64) = ( 0.4367816 0.3981726 -0.0000000), wk = 0.0027322 k( 65) = ( 0.4310345 0.4081269 -0.0000000), wk = 0.0027322 k( 66) = ( 0.4252874 0.4180812 -0.0000000), wk = 0.0027322 k( 67) = ( 0.4195402 0.4280355 -0.0000000), wk = 0.0027322 k( 68) = ( 0.4137931 0.4379899 -0.0000000), wk = 0.0027322 k( 69) = ( 0.4080460 0.4479442 -0.0000000), wk = 0.0027322 k( 70) = ( 0.4022988 0.4578985 -0.0000000), wk = 0.0027322 k( 71) = ( 0.3965517 0.4678528 -0.0000000), wk = 0.0027322 k( 72) = ( 0.3908046 0.4778071 -0.0000000), wk = 0.0027322 k( 73) = ( 0.3850575 0.4877614 -0.0000000), wk = 0.0027322 k( 74) = ( 0.3793103 0.4977157 -0.0000000), wk = 0.0027322 k( 75) = ( 0.3735632 0.5076701 -0.0000000), wk = 0.0027322 k( 76) = ( 0.3678161 0.5176244 -0.0000000), wk = 0.0027322 k( 77) = ( 0.3620690 0.5275787 -0.0000000), wk = 0.0027322 k( 78) = ( 0.3563218 0.5375330 -0.0000000), wk = 0.0027322 k( 79) = ( 0.3505747 0.5474873 -0.0000000), wk = 0.0027322 k( 80) = ( 0.3448276 0.5574416 -0.0000000), wk = 0.0027322 k( 81) = ( 0.3390805 0.5673960 -0.0000000), wk = 0.0027322 k( 82) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027322 k( 83) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027322 k( 84) = ( 0.3275862 0.5673960 -0.0000000), wk = 0.0027322 k( 85) = ( 0.3218391 0.5574416 -0.0000000), wk = 0.0027322 k( 86) = ( 0.3160920 0.5474873 -0.0000000), wk = 0.0027322 k( 87) = ( 0.3103448 0.5375330 -0.0000000), wk = 0.0027322 k( 88) = ( 0.3045977 0.5275787 -0.0000000), wk = 0.0027322 k( 89) = ( 0.2988506 0.5176244 -0.0000000), wk = 0.0027322 k( 90) = ( 0.2931034 0.5076701 -0.0000000), wk = 0.0027322 k( 91) = ( 0.2873563 0.4977157 -0.0000000), wk = 0.0027322 k( 92) = ( 0.2816092 0.4877614 -0.0000000), wk = 0.0027322 k( 93) = ( 0.2758621 0.4778071 -0.0000000), wk = 0.0027322 k( 94) = ( 0.2701149 0.4678528 -0.0000000), wk = 0.0027322 k( 95) = ( 0.2643678 0.4578985 -0.0000000), wk = 0.0027322 k( 96) = ( 0.2586207 0.4479442 -0.0000000), wk = 0.0027322 k( 97) = ( 0.2528736 0.4379899 -0.0000000), wk = 0.0027322 k( 98) = ( 0.2471264 0.4280355 -0.0000000), wk = 0.0027322 k( 99) = ( 0.2413793 0.4180812 -0.0000000), wk = 0.0027322 k( 100) = ( 0.2356322 0.4081269 -0.0000000), wk = 0.0027322 k( 101) = ( 0.2298851 0.3981726 -0.0000000), wk = 0.0027322 k( 102) = ( 0.2241379 0.3882183 -0.0000000), wk = 0.0027322 k( 103) = ( 0.2183908 0.3782640 -0.0000000), wk = 0.0027322 k( 104) = ( 0.2126437 0.3683097 -0.0000000), wk = 0.0027322 k( 105) = ( 0.2068966 0.3583553 -0.0000000), wk = 0.0027322 k( 106) = ( 0.2011494 0.3484010 -0.0000000), wk = 0.0027322 k( 107) = ( 0.1954023 0.3384467 -0.0000000), wk = 0.0027322 k( 108) = ( 0.1896552 0.3284924 -0.0000000), wk = 0.0027322 k( 109) = ( 0.1839080 0.3185381 -0.0000000), wk = 0.0027322 k( 110) = ( 0.1781609 0.3085838 -0.0000000), wk = 0.0027322 k( 111) = ( 0.1724138 0.2986294 -0.0000000), wk = 0.0027322 k( 112) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0027322 k( 113) = ( 0.1609195 0.2787208 -0.0000000), wk = 0.0027322 k( 114) = ( 0.1551724 0.2687665 -0.0000000), wk = 0.0027322 k( 115) = ( 0.1494253 0.2588122 -0.0000000), wk = 0.0027322 k( 116) = ( 0.1436782 0.2488579 -0.0000000), wk = 0.0027322 k( 117) = ( 0.1379310 0.2389036 -0.0000000), wk = 0.0027322 k( 118) = ( 0.1321839 0.2289492 -0.0000000), wk = 0.0027322 k( 119) = ( 0.1264368 0.2189949 -0.0000000), wk = 0.0027322 k( 120) = ( 0.1206897 0.2090406 -0.0000000), wk = 0.0027322 k( 121) = ( 0.1149425 0.1990863 -0.0000000), wk = 0.0027322 k( 122) = ( 0.1091954 0.1891320 -0.0000000), wk = 0.0027322 k( 123) = ( 0.1034483 0.1791777 -0.0000000), wk = 0.0027322 k( 124) = ( 0.0977012 0.1692234 -0.0000000), wk = 0.0027322 k( 125) = ( 0.0919540 0.1592690 -0.0000000), wk = 0.0027322 k( 126) = ( 0.0862069 0.1493147 -0.0000000), wk = 0.0027322 k( 127) = ( 0.0804598 0.1393604 -0.0000000), wk = 0.0027322 k( 128) = ( 0.0747126 0.1294061 -0.0000000), wk = 0.0027322 k( 129) = ( 0.0689655 0.1194518 -0.0000000), wk = 0.0027322 k( 130) = ( 0.0632184 0.1094975 -0.0000000), wk = 0.0027322 k( 131) = ( 0.0574713 0.0995431 -0.0000000), wk = 0.0027322 k( 132) = ( 0.0517241 0.0895888 -0.0000000), wk = 0.0027322 k( 133) = ( 0.0459770 0.0796345 -0.0000000), wk = 0.0027322 k( 134) = ( 0.0402299 0.0696802 -0.0000000), wk = 0.0027322 k( 135) = ( 0.0344828 0.0597259 -0.0000000), wk = 0.0027322 k( 136) = ( 0.0287356 0.0497716 -0.0000000), wk = 0.0027322 k( 137) = ( 0.0229885 0.0398173 -0.0000000), wk = 0.0027322 k( 138) = ( 0.0172414 0.0298629 -0.0000000), wk = 0.0027322 k( 139) = ( 0.0114942 0.0199086 -0.0000000), wk = 0.0027322 k( 140) = ( 0.0057471 0.0099543 -0.0000000), wk = 0.0027322 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 143) = ( 0.0000000 0.0000000 0.0114696), wk = 0.0027322 k( 144) = ( 0.0000000 0.0000000 0.0229392), wk = 0.0027322 k( 145) = ( 0.0000000 0.0000000 0.0344087), wk = 0.0027322 k( 146) = ( 0.0000000 0.0000000 0.0458783), wk = 0.0027322 k( 147) = ( 0.0000000 0.0000000 0.0573479), wk = 0.0027322 k( 148) = ( 0.0000000 0.0000000 0.0688174), wk = 0.0027322 k( 149) = ( 0.0000000 0.0000000 0.0802870), wk = 0.0027322 k( 150) = ( 0.0000000 0.0000000 0.0917566), wk = 0.0027322 k( 151) = ( 0.0000000 0.0000000 0.1032262), wk = 0.0027322 k( 152) = ( 0.0000000 0.0000000 0.1146958), wk = 0.0027322 k( 153) = ( 0.0000000 0.0000000 0.1261653), wk = 0.0027322 k( 154) = ( 0.0000000 0.0000000 0.1376349), wk = 0.0027322 k( 155) = ( 0.0000000 0.0000000 0.1491045), wk = 0.0027322 k( 156) = ( 0.0000000 0.0000000 0.1605740), wk = 0.0027322 k( 157) = ( 0.0000000 0.0000000 0.1720436), wk = 0.0027322 k( 158) = ( 0.0000000 0.0000000 0.1835132), wk = 0.0027322 k( 159) = ( 0.0000000 0.0000000 0.1949828), wk = 0.0027322 k( 160) = ( 0.0000000 0.0000000 0.2064523), wk = 0.0027322 k( 161) = ( 0.0000000 0.0000000 0.2179219), wk = 0.0027322 k( 162) = ( 0.0000000 0.0000000 0.2293915), wk = 0.0027322 k( 163) = ( 0.0000000 0.0000000 0.2408611), wk = 0.0027322 k( 164) = ( 0.0000000 0.0000000 0.2523306), wk = 0.0027322 k( 165) = ( 0.0000000 0.0000000 0.2638002), wk = 0.0027322 k( 166) = ( 0.0000000 0.0000000 0.2752698), wk = 0.0027322 k( 167) = ( 0.0000000 0.0000000 0.2867394), wk = 0.0027322 k( 168) = ( 0.0000000 0.0000000 0.2982089), wk = 0.0027322 k( 169) = ( 0.0000000 0.0000000 0.3096785), wk = 0.0027322 k( 170) = ( 0.0000000 0.0000000 0.3096785), wk = 0.0027322 k( 171) = ( 0.0098039 0.0056603 0.3096785), wk = 0.0027322 k( 172) = ( 0.0196078 0.0113206 0.3096785), wk = 0.0027322 k( 173) = ( 0.0294118 0.0169809 0.3096785), wk = 0.0027322 k( 174) = ( 0.0392157 0.0226412 0.3096785), wk = 0.0027322 k( 175) = ( 0.0490196 0.0283015 0.3096785), wk = 0.0027322 k( 176) = ( 0.0588235 0.0339618 0.3096785), wk = 0.0027322 k( 177) = ( 0.0686275 0.0396221 0.3096785), wk = 0.0027322 k( 178) = ( 0.0784314 0.0452824 0.3096785), wk = 0.0027322 k( 179) = ( 0.0882353 0.0509427 0.3096785), wk = 0.0027322 k( 180) = ( 0.0980392 0.0566030 0.3096785), wk = 0.0027322 k( 181) = ( 0.1078431 0.0622633 0.3096785), wk = 0.0027322 k( 182) = ( 0.1176471 0.0679236 0.3096785), wk = 0.0027322 k( 183) = ( 0.1274510 0.0735839 0.3096785), wk = 0.0027322 k( 184) = ( 0.1372549 0.0792442 0.3096785), wk = 0.0027322 k( 185) = ( 0.1470588 0.0849044 0.3096785), wk = 0.0027322 k( 186) = ( 0.1568627 0.0905648 0.3096785), wk = 0.0027322 k( 187) = ( 0.1666667 0.0962250 0.3096785), wk = 0.0027322 k( 188) = ( 0.1764706 0.1018853 0.3096785), wk = 0.0027322 k( 189) = ( 0.1862745 0.1075456 0.3096785), wk = 0.0027322 k( 190) = ( 0.1960784 0.1132059 0.3096785), wk = 0.0027322 k( 191) = ( 0.2058823 0.1188662 0.3096785), wk = 0.0027322 k( 192) = ( 0.2156863 0.1245265 0.3096785), wk = 0.0027322 k( 193) = ( 0.2254902 0.1301868 0.3096785), wk = 0.0027322 k( 194) = ( 0.2352941 0.1358471 0.3096785), wk = 0.0027322 k( 195) = ( 0.2450980 0.1415074 0.3096785), wk = 0.0027322 k( 196) = ( 0.2549020 0.1471677 0.3096785), wk = 0.0027322 k( 197) = ( 0.2647059 0.1528280 0.3096785), wk = 0.0027322 k( 198) = ( 0.2745098 0.1584883 0.3096785), wk = 0.0027322 k( 199) = ( 0.2843137 0.1641486 0.3096785), wk = 0.0027322 k( 200) = ( 0.2941177 0.1698089 0.3096785), wk = 0.0027322 k( 201) = ( 0.3039216 0.1754692 0.3096785), wk = 0.0027322 k( 202) = ( 0.3137255 0.1811295 0.3096785), wk = 0.0027322 k( 203) = ( 0.3235294 0.1867898 0.3096785), wk = 0.0027322 k( 204) = ( 0.3333333 0.1924501 0.3096785), wk = 0.0027322 k( 205) = ( 0.3431373 0.1981104 0.3096785), wk = 0.0027322 k( 206) = ( 0.3529412 0.2037707 0.3096785), wk = 0.0027322 k( 207) = ( 0.3627451 0.2094310 0.3096785), wk = 0.0027322 k( 208) = ( 0.3725490 0.2150913 0.3096785), wk = 0.0027322 k( 209) = ( 0.3823529 0.2207516 0.3096785), wk = 0.0027322 k( 210) = ( 0.3921569 0.2264119 0.3096785), wk = 0.0027322 k( 211) = ( 0.4019608 0.2320722 0.3096785), wk = 0.0027322 k( 212) = ( 0.4117647 0.2377325 0.3096785), wk = 0.0027322 k( 213) = ( 0.4215686 0.2433928 0.3096785), wk = 0.0027322 k( 214) = ( 0.4313726 0.2490531 0.3096785), wk = 0.0027322 k( 215) = ( 0.4411765 0.2547134 0.3096785), wk = 0.0027322 k( 216) = ( 0.4509804 0.2603736 0.3096785), wk = 0.0027322 k( 217) = ( 0.4607843 0.2660339 0.3096785), wk = 0.0027322 k( 218) = ( 0.4705882 0.2716942 0.3096785), wk = 0.0027322 k( 219) = ( 0.4803922 0.2773545 0.3096785), wk = 0.0027322 k( 220) = ( 0.4901961 0.2830148 0.3096785), wk = 0.0027322 k( 221) = ( 0.5000000 0.2886751 0.3096785), wk = 0.0027322 k( 222) = ( 0.5000000 0.2886751 0.3096785), wk = 0.0027322 k( 223) = ( 0.4942529 0.2986294 0.3096785), wk = 0.0027322 k( 224) = ( 0.4885058 0.3085838 0.3096785), wk = 0.0027322 k( 225) = ( 0.4827586 0.3185381 0.3096785), wk = 0.0027322 k( 226) = ( 0.4770115 0.3284924 0.3096785), wk = 0.0027322 k( 227) = ( 0.4712644 0.3384467 0.3096785), wk = 0.0027322 k( 228) = ( 0.4655172 0.3484010 0.3096785), wk = 0.0027322 k( 229) = ( 0.4597701 0.3583553 0.3096785), wk = 0.0027322 k( 230) = ( 0.4540230 0.3683097 0.3096785), wk = 0.0027322 k( 231) = ( 0.4482759 0.3782640 0.3096785), wk = 0.0027322 k( 232) = ( 0.4425287 0.3882183 0.3096785), wk = 0.0027322 k( 233) = ( 0.4367816 0.3981726 0.3096785), wk = 0.0027322 k( 234) = ( 0.4310345 0.4081269 0.3096785), wk = 0.0027322 k( 235) = ( 0.4252874 0.4180812 0.3096785), wk = 0.0027322 k( 236) = ( 0.4195402 0.4280355 0.3096785), wk = 0.0027322 k( 237) = ( 0.4137931 0.4379899 0.3096785), wk = 0.0027322 k( 238) = ( 0.4080460 0.4479442 0.3096785), wk = 0.0027322 k( 239) = ( 0.4022988 0.4578985 0.3096785), wk = 0.0027322 k( 240) = ( 0.3965517 0.4678528 0.3096785), wk = 0.0027322 k( 241) = ( 0.3908046 0.4778071 0.3096785), wk = 0.0027322 k( 242) = ( 0.3850575 0.4877614 0.3096785), wk = 0.0027322 k( 243) = ( 0.3793103 0.4977157 0.3096785), wk = 0.0027322 k( 244) = ( 0.3735632 0.5076701 0.3096785), wk = 0.0027322 k( 245) = ( 0.3678161 0.5176244 0.3096785), wk = 0.0027322 k( 246) = ( 0.3620690 0.5275787 0.3096785), wk = 0.0027322 k( 247) = ( 0.3563218 0.5375330 0.3096785), wk = 0.0027322 k( 248) = ( 0.3505747 0.5474873 0.3096785), wk = 0.0027322 k( 249) = ( 0.3448276 0.5574416 0.3096785), wk = 0.0027322 k( 250) = ( 0.3390805 0.5673960 0.3096785), wk = 0.0027322 k( 251) = ( 0.3333333 0.5773503 0.3096785), wk = 0.0027322 k( 252) = ( 0.3333333 0.5773503 0.3096785), wk = 0.0027322 k( 253) = ( 0.3275862 0.5673960 0.3096785), wk = 0.0027322 k( 254) = ( 0.3218391 0.5574416 0.3096785), wk = 0.0027322 k( 255) = ( 0.3160920 0.5474873 0.3096785), wk = 0.0027322 k( 256) = ( 0.3103448 0.5375330 0.3096785), wk = 0.0027322 k( 257) = ( 0.3045977 0.5275787 0.3096785), wk = 0.0027322 k( 258) = ( 0.2988506 0.5176244 0.3096785), wk = 0.0027322 k( 259) = ( 0.2931034 0.5076701 0.3096785), wk = 0.0027322 k( 260) = ( 0.2873563 0.4977157 0.3096785), wk = 0.0027322 k( 261) = ( 0.2816092 0.4877614 0.3096785), wk = 0.0027322 k( 262) = ( 0.2758621 0.4778071 0.3096785), wk = 0.0027322 k( 263) = ( 0.2701149 0.4678528 0.3096785), wk = 0.0027322 k( 264) = ( 0.2643678 0.4578985 0.3096785), wk = 0.0027322 k( 265) = ( 0.2586207 0.4479442 0.3096785), wk = 0.0027322 k( 266) = ( 0.2528736 0.4379899 0.3096785), wk = 0.0027322 k( 267) = ( 0.2471264 0.4280355 0.3096785), wk = 0.0027322 k( 268) = ( 0.2413793 0.4180812 0.3096785), wk = 0.0027322 k( 269) = ( 0.2356322 0.4081269 0.3096785), wk = 0.0027322 k( 270) = ( 0.2298851 0.3981726 0.3096785), wk = 0.0027322 k( 271) = ( 0.2241379 0.3882183 0.3096785), wk = 0.0027322 k( 272) = ( 0.2183908 0.3782640 0.3096785), wk = 0.0027322 k( 273) = ( 0.2126437 0.3683097 0.3096785), wk = 0.0027322 k( 274) = ( 0.2068966 0.3583553 0.3096785), wk = 0.0027322 k( 275) = ( 0.2011494 0.3484010 0.3096785), wk = 0.0027322 k( 276) = ( 0.1954023 0.3384467 0.3096785), wk = 0.0027322 k( 277) = ( 0.1896552 0.3284924 0.3096785), wk = 0.0027322 k( 278) = ( 0.1839080 0.3185381 0.3096785), wk = 0.0027322 k( 279) = ( 0.1781609 0.3085838 0.3096785), wk = 0.0027322 k( 280) = ( 0.1724138 0.2986294 0.3096785), wk = 0.0027322 k( 281) = ( 0.1666667 0.2886751 0.3096785), wk = 0.0027322 k( 282) = ( 0.1609195 0.2787208 0.3096785), wk = 0.0027322 k( 283) = ( 0.1551724 0.2687665 0.3096785), wk = 0.0027322 k( 284) = ( 0.1494253 0.2588122 0.3096785), wk = 0.0027322 k( 285) = ( 0.1436782 0.2488579 0.3096785), wk = 0.0027322 k( 286) = ( 0.1379310 0.2389036 0.3096785), wk = 0.0027322 k( 287) = ( 0.1321839 0.2289492 0.3096785), wk = 0.0027322 k( 288) = ( 0.1264368 0.2189949 0.3096785), wk = 0.0027322 k( 289) = ( 0.1206897 0.2090406 0.3096785), wk = 0.0027322 k( 290) = ( 0.1149425 0.1990863 0.3096785), wk = 0.0027322 k( 291) = ( 0.1091954 0.1891320 0.3096785), wk = 0.0027322 k( 292) = ( 0.1034483 0.1791777 0.3096785), wk = 0.0027322 k( 293) = ( 0.0977012 0.1692234 0.3096785), wk = 0.0027322 k( 294) = ( 0.0919540 0.1592690 0.3096785), wk = 0.0027322 k( 295) = ( 0.0862069 0.1493147 0.3096785), wk = 0.0027322 k( 296) = ( 0.0804598 0.1393604 0.3096785), wk = 0.0027322 k( 297) = ( 0.0747126 0.1294061 0.3096785), wk = 0.0027322 k( 298) = ( 0.0689655 0.1194518 0.3096785), wk = 0.0027322 k( 299) = ( 0.0632184 0.1094975 0.3096785), wk = 0.0027322 k( 300) = ( 0.0574713 0.0995431 0.3096785), wk = 0.0027322 k( 301) = ( 0.0517241 0.0895888 0.3096785), wk = 0.0027322 k( 302) = ( 0.0459770 0.0796345 0.3096785), wk = 0.0027322 k( 303) = ( 0.0402299 0.0696802 0.3096785), wk = 0.0027322 k( 304) = ( 0.0344828 0.0597259 0.3096785), wk = 0.0027322 k( 305) = ( 0.0287356 0.0497716 0.3096785), wk = 0.0027322 k( 306) = ( 0.0229885 0.0398173 0.3096785), wk = 0.0027322 k( 307) = ( 0.0172414 0.0298629 0.3096785), wk = 0.0027322 k( 308) = ( 0.0114942 0.0199086 0.3096785), wk = 0.0027322 k( 309) = ( 0.0057471 0.0099543 0.3096785), wk = 0.0027322 k( 310) = ( 0.0000000 0.0000000 0.3096785), wk = 0.0027322 k( 311) = ( 0.5000000 0.2886751 0.3096785), wk = 0.0027322 k( 312) = ( 0.5000000 0.2886751 0.2982089), wk = 0.0027322 k( 313) = ( 0.5000000 0.2886751 0.2867394), wk = 0.0027322 k( 314) = ( 0.5000000 0.2886751 0.2752698), wk = 0.0027322 k( 315) = ( 0.5000000 0.2886751 0.2638002), wk = 0.0027322 k( 316) = ( 0.5000000 0.2886751 0.2523306), wk = 0.0027322 k( 317) = ( 0.5000000 0.2886751 0.2408611), wk = 0.0027322 k( 318) = ( 0.5000000 0.2886751 0.2293915), wk = 0.0027322 k( 319) = ( 0.5000000 0.2886751 0.2179219), wk = 0.0027322 k( 320) = ( 0.5000000 0.2886751 0.2064523), wk = 0.0027322 k( 321) = ( 0.5000000 0.2886751 0.1949828), wk = 0.0027322 k( 322) = ( 0.5000000 0.2886751 0.1835132), wk = 0.0027322 k( 323) = ( 0.5000000 0.2886751 0.1720436), wk = 0.0027322 k( 324) = ( 0.5000000 0.2886751 0.1605740), wk = 0.0027322 k( 325) = ( 0.5000000 0.2886751 0.1491045), wk = 0.0027322 k( 326) = ( 0.5000000 0.2886751 0.1376349), wk = 0.0027322 k( 327) = ( 0.5000000 0.2886751 0.1261653), wk = 0.0027322 k( 328) = ( 0.5000000 0.2886751 0.1146958), wk = 0.0027322 k( 329) = ( 0.5000000 0.2886751 0.1032262), wk = 0.0027322 k( 330) = ( 0.5000000 0.2886751 0.0917566), wk = 0.0027322 k( 331) = ( 0.5000000 0.2886751 0.0802870), wk = 0.0027322 k( 332) = ( 0.5000000 0.2886751 0.0688174), wk = 0.0027322 k( 333) = ( 0.5000000 0.2886751 0.0573479), wk = 0.0027322 k( 334) = ( 0.5000000 0.2886751 0.0458783), wk = 0.0027322 k( 335) = ( 0.5000000 0.2886751 0.0344087), wk = 0.0027322 k( 336) = ( 0.5000000 0.2886751 0.0229392), wk = 0.0027322 k( 337) = ( 0.5000000 0.2886751 0.0114696), wk = 0.0027322 k( 338) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027322 k( 339) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027322 k( 340) = ( 0.3333333 0.5773503 0.0114696), wk = 0.0027322 k( 341) = ( 0.3333333 0.5773503 0.0229392), wk = 0.0027322 k( 342) = ( 0.3333333 0.5773503 0.0344087), wk = 0.0027322 k( 343) = ( 0.3333333 0.5773503 0.0458783), wk = 0.0027322 k( 344) = ( 0.3333333 0.5773503 0.0573479), wk = 0.0027322 k( 345) = ( 0.3333333 0.5773503 0.0688174), wk = 0.0027322 k( 346) = ( 0.3333333 0.5773503 0.0802870), wk = 0.0027322 k( 347) = ( 0.3333333 0.5773503 0.0917566), wk = 0.0027322 k( 348) = ( 0.3333333 0.5773503 0.1032262), wk = 0.0027322 k( 349) = ( 0.3333333 0.5773503 0.1146958), wk = 0.0027322 k( 350) = ( 0.3333333 0.5773503 0.1261653), wk = 0.0027322 k( 351) = ( 0.3333333 0.5773503 0.1376349), wk = 0.0027322 k( 352) = ( 0.3333333 0.5773503 0.1491045), wk = 0.0027322 k( 353) = ( 0.3333333 0.5773503 0.1605740), wk = 0.0027322 k( 354) = ( 0.3333333 0.5773503 0.1720436), wk = 0.0027322 k( 355) = ( 0.3333333 0.5773503 0.1835132), wk = 0.0027322 k( 356) = ( 0.3333333 0.5773503 0.1949828), wk = 0.0027322 k( 357) = ( 0.3333333 0.5773503 0.2064523), wk = 0.0027322 k( 358) = ( 0.3333333 0.5773503 0.2179219), wk = 0.0027322 k( 359) = ( 0.3333333 0.5773503 0.2293915), wk = 0.0027322 k( 360) = ( 0.3333333 0.5773503 0.2408611), wk = 0.0027322 k( 361) = ( 0.3333333 0.5773503 0.2523306), wk = 0.0027322 k( 362) = ( 0.3333333 0.5773503 0.2638002), wk = 0.0027322 k( 363) = ( 0.3333333 0.5773503 0.2752698), wk = 0.0027322 k( 364) = ( 0.3333333 0.5773503 0.2867394), wk = 0.0027322 k( 365) = ( 0.3333333 0.5773503 0.2982089), wk = 0.0027322 k( 366) = ( 0.3333333 0.5773503 0.3096785), wk = 0.0027322 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 2) = ( 0.0098039 0.0000000 0.0000000), wk = 0.0027322 k( 3) = ( 0.0196078 0.0000000 0.0000000), wk = 0.0027322 k( 4) = ( 0.0294118 -0.0000000 -0.0000000), wk = 0.0027322 k( 5) = ( 0.0392157 0.0000000 0.0000000), wk = 0.0027322 k( 6) = ( 0.0490196 0.0000000 0.0000000), wk = 0.0027322 k( 7) = ( 0.0588235 0.0000000 0.0000000), wk = 0.0027322 k( 8) = ( 0.0686275 0.0000000 0.0000000), wk = 0.0027322 k( 9) = ( 0.0784314 0.0000000 -0.0000000), wk = 0.0027322 k( 10) = ( 0.0882353 0.0000000 0.0000000), wk = 0.0027322 k( 11) = ( 0.0980392 0.0000000 0.0000000), wk = 0.0027322 k( 12) = ( 0.1078431 0.0000000 0.0000000), wk = 0.0027322 k( 13) = ( 0.1176471 0.0000000 0.0000000), wk = 0.0027322 k( 14) = ( 0.1274510 0.0000000 0.0000000), wk = 0.0027322 k( 15) = ( 0.1372549 0.0000000 0.0000000), wk = 0.0027322 k( 16) = ( 0.1470588 0.0000000 -0.0000000), wk = 0.0027322 k( 17) = ( 0.1568627 0.0000000 -0.0000000), wk = 0.0027322 k( 18) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0027322 k( 19) = ( 0.1764706 0.0000000 0.0000000), wk = 0.0027322 k( 20) = ( 0.1862745 0.0000000 0.0000000), wk = 0.0027322 k( 21) = ( 0.1960784 0.0000000 0.0000000), wk = 0.0027322 k( 22) = ( 0.2058823 0.0000000 0.0000000), wk = 0.0027322 k( 23) = ( 0.2156863 0.0000000 0.0000000), wk = 0.0027322 k( 24) = ( 0.2254902 0.0000000 0.0000000), wk = 0.0027322 k( 25) = ( 0.2352941 0.0000000 0.0000000), wk = 0.0027322 k( 26) = ( 0.2450980 0.0000000 0.0000000), wk = 0.0027322 k( 27) = ( 0.2549020 0.0000000 0.0000000), wk = 0.0027322 k( 28) = ( 0.2647059 0.0000000 0.0000000), wk = 0.0027322 k( 29) = ( 0.2745098 0.0000000 0.0000000), wk = 0.0027322 k( 30) = ( 0.2843137 0.0000000 0.0000000), wk = 0.0027322 k( 31) = ( 0.2941177 0.0000000 -0.0000000), wk = 0.0027322 k( 32) = ( 0.3039216 0.0000000 0.0000000), wk = 0.0027322 k( 33) = ( 0.3137255 -0.0000000 -0.0000000), wk = 0.0027322 k( 34) = ( 0.3235294 0.0000000 0.0000000), wk = 0.0027322 k( 35) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0027322 k( 36) = ( 0.3431373 0.0000000 0.0000000), wk = 0.0027322 k( 37) = ( 0.3529412 0.0000000 0.0000000), wk = 0.0027322 k( 38) = ( 0.3627451 -0.0000000 0.0000000), wk = 0.0027322 k( 39) = ( 0.3725490 0.0000000 0.0000000), wk = 0.0027322 k( 40) = ( 0.3823529 0.0000000 0.0000000), wk = 0.0027322 k( 41) = ( 0.3921569 0.0000000 0.0000000), wk = 0.0027322 k( 42) = ( 0.4019608 0.0000000 0.0000000), wk = 0.0027322 k( 43) = ( 0.4117647 0.0000000 0.0000000), wk = 0.0027322 k( 44) = ( 0.4215686 0.0000000 0.0000000), wk = 0.0027322 k( 45) = ( 0.4313726 0.0000000 -0.0000000), wk = 0.0027322 k( 46) = ( 0.4411765 0.0000000 0.0000000), wk = 0.0027322 k( 47) = ( 0.4509804 0.0000000 -0.0000000), wk = 0.0027322 k( 48) = ( 0.4607843 0.0000000 0.0000000), wk = 0.0027322 k( 49) = ( 0.4705882 0.0000000 0.0000000), wk = 0.0027322 k( 50) = ( 0.4803922 0.0000000 0.0000000), wk = 0.0027322 k( 51) = ( 0.4901961 0.0000000 0.0000000), wk = 0.0027322 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027322 k( 53) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027322 k( 54) = ( 0.4942529 0.0114943 0.0000000), wk = 0.0027322 k( 55) = ( 0.4885058 0.0229885 -0.0000000), wk = 0.0027322 k( 56) = ( 0.4827586 0.0344828 0.0000000), wk = 0.0027322 k( 57) = ( 0.4770115 0.0459770 -0.0000000), wk = 0.0027322 k( 58) = ( 0.4712644 0.0574713 0.0000000), wk = 0.0027322 k( 59) = ( 0.4655172 0.0689655 0.0000000), wk = 0.0027322 k( 60) = ( 0.4597701 0.0804598 0.0000000), wk = 0.0027322 k( 61) = ( 0.4540230 0.0919540 0.0000000), wk = 0.0027322 k( 62) = ( 0.4482759 0.1034483 -0.0000000), wk = 0.0027322 k( 63) = ( 0.4425287 0.1149425 0.0000000), wk = 0.0027322 k( 64) = ( 0.4367816 0.1264368 -0.0000000), wk = 0.0027322 k( 65) = ( 0.4310345 0.1379310 0.0000000), wk = 0.0027322 k( 66) = ( 0.4252874 0.1494253 0.0000000), wk = 0.0027322 k( 67) = ( 0.4195402 0.1609195 -0.0000000), wk = 0.0027322 k( 68) = ( 0.4137931 0.1724138 -0.0000000), wk = 0.0027322 k( 69) = ( 0.4080460 0.1839081 0.0000000), wk = 0.0027322 k( 70) = ( 0.4022988 0.1954023 0.0000000), wk = 0.0027322 k( 71) = ( 0.3965517 0.2068965 0.0000000), wk = 0.0027322 k( 72) = ( 0.3908046 0.2183908 -0.0000000), wk = 0.0027322 k( 73) = ( 0.3850575 0.2298851 0.0000000), wk = 0.0027322 k( 74) = ( 0.3793103 0.2413793 0.0000000), wk = 0.0027322 k( 75) = ( 0.3735632 0.2528736 0.0000000), wk = 0.0027322 k( 76) = ( 0.3678161 0.2643678 0.0000000), wk = 0.0027322 k( 77) = ( 0.3620690 0.2758621 0.0000000), wk = 0.0027322 k( 78) = ( 0.3563218 0.2873563 0.0000000), wk = 0.0027322 k( 79) = ( 0.3505747 0.2988506 0.0000000), wk = 0.0027322 k( 80) = ( 0.3448276 0.3103448 0.0000000), wk = 0.0027322 k( 81) = ( 0.3390805 0.3218391 0.0000000), wk = 0.0027322 k( 82) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027322 k( 83) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027322 k( 84) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0027322 k( 85) = ( 0.3218391 0.3218391 -0.0000000), wk = 0.0027322 k( 86) = ( 0.3160920 0.3160920 0.0000000), wk = 0.0027322 k( 87) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0027322 k( 88) = ( 0.3045977 0.3045977 0.0000000), wk = 0.0027322 k( 89) = ( 0.2988506 0.2988506 -0.0000000), wk = 0.0027322 k( 90) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0027322 k( 91) = ( 0.2873563 0.2873563 0.0000000), wk = 0.0027322 k( 92) = ( 0.2816092 0.2816092 0.0000000), wk = 0.0027322 k( 93) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0027322 k( 94) = ( 0.2701149 0.2701149 0.0000000), wk = 0.0027322 k( 95) = ( 0.2643678 0.2643678 -0.0000000), wk = 0.0027322 k( 96) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0027322 k( 97) = ( 0.2528736 0.2528736 0.0000000), wk = 0.0027322 k( 98) = ( 0.2471264 0.2471264 0.0000000), wk = 0.0027322 k( 99) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0027322 k( 100) = ( 0.2356322 0.2356322 0.0000000), wk = 0.0027322 k( 101) = ( 0.2298851 0.2298851 0.0000000), wk = 0.0027322 k( 102) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0027322 k( 103) = ( 0.2183908 0.2183908 0.0000000), wk = 0.0027322 k( 104) = ( 0.2126437 0.2126437 0.0000000), wk = 0.0027322 k( 105) = ( 0.2068966 0.2068966 0.0000000), wk = 0.0027322 k( 106) = ( 0.2011494 0.2011494 -0.0000000), wk = 0.0027322 k( 107) = ( 0.1954023 0.1954023 0.0000000), wk = 0.0027322 k( 108) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0027322 k( 109) = ( 0.1839080 0.1839080 0.0000000), wk = 0.0027322 k( 110) = ( 0.1781609 0.1781609 0.0000000), wk = 0.0027322 k( 111) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0027322 k( 112) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0027322 k( 113) = ( 0.1609195 0.1609195 -0.0000000), wk = 0.0027322 k( 114) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0027322 k( 115) = ( 0.1494253 0.1494253 0.0000000), wk = 0.0027322 k( 116) = ( 0.1436782 0.1436782 0.0000000), wk = 0.0027322 k( 117) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0027322 k( 118) = ( 0.1321839 0.1321839 -0.0000000), wk = 0.0027322 k( 119) = ( 0.1264368 0.1264368 0.0000000), wk = 0.0027322 k( 120) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0027322 k( 121) = ( 0.1149425 0.1149425 0.0000000), wk = 0.0027322 k( 122) = ( 0.1091954 0.1091954 0.0000000), wk = 0.0027322 k( 123) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0027322 k( 124) = ( 0.0977012 0.0977012 0.0000000), wk = 0.0027322 k( 125) = ( 0.0919540 0.0919540 -0.0000000), wk = 0.0027322 k( 126) = ( 0.0862069 0.0862069 0.0000000), wk = 0.0027322 k( 127) = ( 0.0804598 0.0804598 -0.0000000), wk = 0.0027322 k( 128) = ( 0.0747126 0.0747126 -0.0000000), wk = 0.0027322 k( 129) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0027322 k( 130) = ( 0.0632184 0.0632184 0.0000000), wk = 0.0027322 k( 131) = ( 0.0574713 0.0574713 0.0000000), wk = 0.0027322 k( 132) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0027322 k( 133) = ( 0.0459770 0.0459770 -0.0000000), wk = 0.0027322 k( 134) = ( 0.0402299 0.0402299 0.0000000), wk = 0.0027322 k( 135) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0027322 k( 136) = ( 0.0287356 0.0287356 0.0000000), wk = 0.0027322 k( 137) = ( 0.0229885 0.0229885 0.0000000), wk = 0.0027322 k( 138) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0027322 k( 139) = ( 0.0114942 0.0114942 0.0000000), wk = 0.0027322 k( 140) = ( 0.0057471 0.0057471 -0.0000000), wk = 0.0027322 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 143) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0027322 k( 144) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0027322 k( 145) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0027322 k( 146) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0027322 k( 147) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0027322 k( 148) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0027322 k( 149) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0027322 k( 150) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0027322 k( 151) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027322 k( 152) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0027322 k( 153) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0027322 k( 154) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0027322 k( 155) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0027322 k( 156) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0027322 k( 157) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0027322 k( 158) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0027322 k( 159) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0027322 k( 160) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027322 k( 161) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0027322 k( 162) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0027322 k( 163) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0027322 k( 164) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0027322 k( 165) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0027322 k( 166) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0027322 k( 167) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0027322 k( 168) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0027322 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 170) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 171) = ( 0.0098039 0.0000000 0.5000000), wk = 0.0027322 k( 172) = ( 0.0196078 0.0000000 0.5000000), wk = 0.0027322 k( 173) = ( 0.0294118 -0.0000000 0.5000000), wk = 0.0027322 k( 174) = ( 0.0392157 0.0000000 0.5000000), wk = 0.0027322 k( 175) = ( 0.0490196 0.0000000 0.5000000), wk = 0.0027322 k( 176) = ( 0.0588235 0.0000000 0.5000000), wk = 0.0027322 k( 177) = ( 0.0686275 0.0000000 0.5000000), wk = 0.0027322 k( 178) = ( 0.0784314 0.0000000 0.5000000), wk = 0.0027322 k( 179) = ( 0.0882353 0.0000000 0.5000000), wk = 0.0027322 k( 180) = ( 0.0980392 0.0000000 0.5000000), wk = 0.0027322 k( 181) = ( 0.1078431 0.0000000 0.5000000), wk = 0.0027322 k( 182) = ( 0.1176471 0.0000000 0.5000000), wk = 0.0027322 k( 183) = ( 0.1274510 0.0000000 0.5000000), wk = 0.0027322 k( 184) = ( 0.1372549 0.0000000 0.5000000), wk = 0.0027322 k( 185) = ( 0.1470588 0.0000000 0.5000000), wk = 0.0027322 k( 186) = ( 0.1568627 0.0000000 0.5000000), wk = 0.0027322 k( 187) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0027322 k( 188) = ( 0.1764706 0.0000000 0.5000000), wk = 0.0027322 k( 189) = ( 0.1862745 0.0000000 0.5000000), wk = 0.0027322 k( 190) = ( 0.1960784 0.0000000 0.5000000), wk = 0.0027322 k( 191) = ( 0.2058823 0.0000000 0.5000000), wk = 0.0027322 k( 192) = ( 0.2156863 0.0000000 0.5000000), wk = 0.0027322 k( 193) = ( 0.2254902 0.0000000 0.5000000), wk = 0.0027322 k( 194) = ( 0.2352941 0.0000000 0.5000000), wk = 0.0027322 k( 195) = ( 0.2450980 0.0000000 0.5000000), wk = 0.0027322 k( 196) = ( 0.2549020 0.0000000 0.5000000), wk = 0.0027322 k( 197) = ( 0.2647059 0.0000000 0.5000000), wk = 0.0027322 k( 198) = ( 0.2745098 0.0000000 0.5000000), wk = 0.0027322 k( 199) = ( 0.2843137 0.0000000 0.5000000), wk = 0.0027322 k( 200) = ( 0.2941177 0.0000000 0.5000000), wk = 0.0027322 k( 201) = ( 0.3039216 0.0000000 0.5000000), wk = 0.0027322 k( 202) = ( 0.3137255 -0.0000000 0.5000000), wk = 0.0027322 k( 203) = ( 0.3235294 0.0000000 0.5000000), wk = 0.0027322 k( 204) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0027322 k( 205) = ( 0.3431373 0.0000000 0.5000000), wk = 0.0027322 k( 206) = ( 0.3529412 0.0000000 0.5000000), wk = 0.0027322 k( 207) = ( 0.3627451 -0.0000000 0.5000000), wk = 0.0027322 k( 208) = ( 0.3725490 0.0000000 0.5000000), wk = 0.0027322 k( 209) = ( 0.3823529 0.0000000 0.5000000), wk = 0.0027322 k( 210) = ( 0.3921569 0.0000000 0.5000000), wk = 0.0027322 k( 211) = ( 0.4019608 0.0000000 0.5000000), wk = 0.0027322 k( 212) = ( 0.4117647 0.0000000 0.5000000), wk = 0.0027322 k( 213) = ( 0.4215686 0.0000000 0.5000000), wk = 0.0027322 k( 214) = ( 0.4313726 0.0000000 0.5000000), wk = 0.0027322 k( 215) = ( 0.4411765 0.0000000 0.5000000), wk = 0.0027322 k( 216) = ( 0.4509804 0.0000000 0.5000000), wk = 0.0027322 k( 217) = ( 0.4607843 0.0000000 0.5000000), wk = 0.0027322 k( 218) = ( 0.4705882 0.0000000 0.5000000), wk = 0.0027322 k( 219) = ( 0.4803922 0.0000000 0.5000000), wk = 0.0027322 k( 220) = ( 0.4901961 0.0000000 0.5000000), wk = 0.0027322 k( 221) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027322 k( 222) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027322 k( 223) = ( 0.4942529 0.0114943 0.5000000), wk = 0.0027322 k( 224) = ( 0.4885058 0.0229885 0.5000000), wk = 0.0027322 k( 225) = ( 0.4827586 0.0344828 0.5000000), wk = 0.0027322 k( 226) = ( 0.4770115 0.0459770 0.5000000), wk = 0.0027322 k( 227) = ( 0.4712644 0.0574713 0.5000000), wk = 0.0027322 k( 228) = ( 0.4655172 0.0689655 0.5000000), wk = 0.0027322 k( 229) = ( 0.4597701 0.0804598 0.5000000), wk = 0.0027322 k( 230) = ( 0.4540230 0.0919540 0.5000000), wk = 0.0027322 k( 231) = ( 0.4482759 0.1034483 0.5000000), wk = 0.0027322 k( 232) = ( 0.4425287 0.1149425 0.5000000), wk = 0.0027322 k( 233) = ( 0.4367816 0.1264368 0.5000000), wk = 0.0027322 k( 234) = ( 0.4310345 0.1379310 0.5000000), wk = 0.0027322 k( 235) = ( 0.4252874 0.1494253 0.5000000), wk = 0.0027322 k( 236) = ( 0.4195402 0.1609195 0.5000000), wk = 0.0027322 k( 237) = ( 0.4137931 0.1724138 0.5000000), wk = 0.0027322 k( 238) = ( 0.4080460 0.1839081 0.5000000), wk = 0.0027322 k( 239) = ( 0.4022988 0.1954023 0.5000000), wk = 0.0027322 k( 240) = ( 0.3965517 0.2068965 0.5000000), wk = 0.0027322 k( 241) = ( 0.3908046 0.2183908 0.5000000), wk = 0.0027322 k( 242) = ( 0.3850575 0.2298851 0.5000000), wk = 0.0027322 k( 243) = ( 0.3793103 0.2413793 0.5000000), wk = 0.0027322 k( 244) = ( 0.3735632 0.2528736 0.5000000), wk = 0.0027322 k( 245) = ( 0.3678161 0.2643678 0.5000000), wk = 0.0027322 k( 246) = ( 0.3620690 0.2758621 0.5000000), wk = 0.0027322 k( 247) = ( 0.3563218 0.2873563 0.5000000), wk = 0.0027322 k( 248) = ( 0.3505747 0.2988506 0.5000000), wk = 0.0027322 k( 249) = ( 0.3448276 0.3103448 0.5000000), wk = 0.0027322 k( 250) = ( 0.3390805 0.3218391 0.5000000), wk = 0.0027322 k( 251) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027322 k( 252) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027322 k( 253) = ( 0.3275862 0.3275862 0.5000000), wk = 0.0027322 k( 254) = ( 0.3218391 0.3218391 0.5000000), wk = 0.0027322 k( 255) = ( 0.3160920 0.3160920 0.5000000), wk = 0.0027322 k( 256) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0027322 k( 257) = ( 0.3045977 0.3045977 0.5000000), wk = 0.0027322 k( 258) = ( 0.2988506 0.2988506 0.5000000), wk = 0.0027322 k( 259) = ( 0.2931034 0.2931034 0.5000000), wk = 0.0027322 k( 260) = ( 0.2873563 0.2873563 0.5000000), wk = 0.0027322 k( 261) = ( 0.2816092 0.2816092 0.5000000), wk = 0.0027322 k( 262) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0027322 k( 263) = ( 0.2701149 0.2701149 0.5000000), wk = 0.0027322 k( 264) = ( 0.2643678 0.2643678 0.5000000), wk = 0.0027322 k( 265) = ( 0.2586207 0.2586207 0.5000000), wk = 0.0027322 k( 266) = ( 0.2528736 0.2528736 0.5000000), wk = 0.0027322 k( 267) = ( 0.2471264 0.2471264 0.5000000), wk = 0.0027322 k( 268) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0027322 k( 269) = ( 0.2356322 0.2356322 0.5000000), wk = 0.0027322 k( 270) = ( 0.2298851 0.2298851 0.5000000), wk = 0.0027322 k( 271) = ( 0.2241379 0.2241379 0.5000000), wk = 0.0027322 k( 272) = ( 0.2183908 0.2183908 0.5000000), wk = 0.0027322 k( 273) = ( 0.2126437 0.2126437 0.5000000), wk = 0.0027322 k( 274) = ( 0.2068966 0.2068966 0.5000000), wk = 0.0027322 k( 275) = ( 0.2011494 0.2011494 0.5000000), wk = 0.0027322 k( 276) = ( 0.1954023 0.1954023 0.5000000), wk = 0.0027322 k( 277) = ( 0.1896552 0.1896552 0.5000000), wk = 0.0027322 k( 278) = ( 0.1839080 0.1839080 0.5000000), wk = 0.0027322 k( 279) = ( 0.1781609 0.1781609 0.5000000), wk = 0.0027322 k( 280) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0027322 k( 281) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0027322 k( 282) = ( 0.1609195 0.1609195 0.5000000), wk = 0.0027322 k( 283) = ( 0.1551724 0.1551724 0.5000000), wk = 0.0027322 k( 284) = ( 0.1494253 0.1494253 0.5000000), wk = 0.0027322 k( 285) = ( 0.1436782 0.1436782 0.5000000), wk = 0.0027322 k( 286) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0027322 k( 287) = ( 0.1321839 0.1321839 0.5000000), wk = 0.0027322 k( 288) = ( 0.1264368 0.1264368 0.5000000), wk = 0.0027322 k( 289) = ( 0.1206897 0.1206897 0.5000000), wk = 0.0027322 k( 290) = ( 0.1149425 0.1149425 0.5000000), wk = 0.0027322 k( 291) = ( 0.1091954 0.1091954 0.5000000), wk = 0.0027322 k( 292) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0027322 k( 293) = ( 0.0977012 0.0977012 0.5000000), wk = 0.0027322 k( 294) = ( 0.0919540 0.0919540 0.5000000), wk = 0.0027322 k( 295) = ( 0.0862069 0.0862069 0.5000000), wk = 0.0027322 k( 296) = ( 0.0804598 0.0804598 0.5000000), wk = 0.0027322 k( 297) = ( 0.0747126 0.0747126 0.5000000), wk = 0.0027322 k( 298) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0027322 k( 299) = ( 0.0632184 0.0632184 0.5000000), wk = 0.0027322 k( 300) = ( 0.0574713 0.0574713 0.5000000), wk = 0.0027322 k( 301) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0027322 k( 302) = ( 0.0459770 0.0459770 0.5000000), wk = 0.0027322 k( 303) = ( 0.0402299 0.0402299 0.5000000), wk = 0.0027322 k( 304) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0027322 k( 305) = ( 0.0287356 0.0287356 0.5000000), wk = 0.0027322 k( 306) = ( 0.0229885 0.0229885 0.5000000), wk = 0.0027322 k( 307) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0027322 k( 308) = ( 0.0114942 0.0114942 0.5000000), wk = 0.0027322 k( 309) = ( 0.0057471 0.0057471 0.5000000), wk = 0.0027322 k( 310) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 311) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027322 k( 312) = ( 0.5000000 0.0000000 0.4814815), wk = 0.0027322 k( 313) = ( 0.5000000 0.0000000 0.4629630), wk = 0.0027322 k( 314) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0027322 k( 315) = ( 0.5000000 0.0000000 0.4259259), wk = 0.0027322 k( 316) = ( 0.5000000 0.0000000 0.4074074), wk = 0.0027322 k( 317) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0027322 k( 318) = ( 0.5000000 0.0000000 0.3703704), wk = 0.0027322 k( 319) = ( 0.5000000 0.0000000 0.3518519), wk = 0.0027322 k( 320) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0027322 k( 321) = ( 0.5000000 0.0000000 0.3148148), wk = 0.0027322 k( 322) = ( 0.5000000 0.0000000 0.2962963), wk = 0.0027322 k( 323) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0027322 k( 324) = ( 0.5000000 0.0000000 0.2592593), wk = 0.0027322 k( 325) = ( 0.5000000 0.0000000 0.2407407), wk = 0.0027322 k( 326) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0027322 k( 327) = ( 0.5000000 0.0000000 0.2037037), wk = 0.0027322 k( 328) = ( 0.5000000 0.0000000 0.1851852), wk = 0.0027322 k( 329) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0027322 k( 330) = ( 0.5000000 0.0000000 0.1481482), wk = 0.0027322 k( 331) = ( 0.5000000 0.0000000 0.1296296), wk = 0.0027322 k( 332) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0027322 k( 333) = ( 0.5000000 0.0000000 0.0925926), wk = 0.0027322 k( 334) = ( 0.5000000 0.0000000 0.0740741), wk = 0.0027322 k( 335) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0027322 k( 336) = ( 0.5000000 0.0000000 0.0370370), wk = 0.0027322 k( 337) = ( 0.5000000 0.0000000 0.0185185), wk = 0.0027322 k( 338) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027322 k( 339) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027322 k( 340) = ( 0.3333333 0.3333333 0.0185185), wk = 0.0027322 k( 341) = ( 0.3333333 0.3333333 0.0370370), wk = 0.0027322 k( 342) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0027322 k( 343) = ( 0.3333333 0.3333333 0.0740741), wk = 0.0027322 k( 344) = ( 0.3333333 0.3333333 0.0925926), wk = 0.0027322 k( 345) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0027322 k( 346) = ( 0.3333333 0.3333333 0.1296296), wk = 0.0027322 k( 347) = ( 0.3333333 0.3333333 0.1481482), wk = 0.0027322 k( 348) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0027322 k( 349) = ( 0.3333333 0.3333333 0.1851852), wk = 0.0027322 k( 350) = ( 0.3333333 0.3333333 0.2037037), wk = 0.0027322 k( 351) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0027322 k( 352) = ( 0.3333333 0.3333333 0.2407407), wk = 0.0027322 k( 353) = ( 0.3333333 0.3333333 0.2592593), wk = 0.0027322 k( 354) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0027322 k( 355) = ( 0.3333333 0.3333333 0.2962963), wk = 0.0027322 k( 356) = ( 0.3333333 0.3333333 0.3148148), wk = 0.0027322 k( 357) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027322 k( 358) = ( 0.3333333 0.3333333 0.3518519), wk = 0.0027322 k( 359) = ( 0.3333333 0.3333333 0.3703704), wk = 0.0027322 k( 360) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0027322 k( 361) = ( 0.3333333 0.3333333 0.4074074), wk = 0.0027322 k( 362) = ( 0.3333333 0.3333333 0.4259259), wk = 0.0027322 k( 363) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0027322 k( 364) = ( 0.3333333 0.3333333 0.4629630), wk = 0.0027322 k( 365) = ( 0.3333333 0.3333333 0.4814815), wk = 0.0027322 k( 366) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027322 Dense grid: 32775 G-vectors FFT dimensions: ( 36, 36, 60) Smooth grid: 20125 G-vectors FFT dimensions: ( 32, 32, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 114, 32) NL pseudopotentials 0.09 Mb ( 57, 102) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 677) G-vector shells 0.00 Mb ( 347) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.22 Mb ( 114, 128) Each subspace H/S matrix 0.25 Mb ( 128, 128) Each matrix 0.10 Mb ( 102, 2, 32) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./HfS2.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.5 secs Computing kpt #: 2 total cpu time spent up to now is 43.2 secs Computing kpt #: 3 total cpu time spent up to now is 43.9 secs Computing kpt #: 4 total cpu time spent up to now is 44.5 secs Computing kpt #: 5 total cpu time spent up to now is 45.2 secs Computing kpt #: 6 total cpu time spent up to now is 45.8 secs Computing kpt #: 7 total cpu time spent up to now is 46.4 secs Computing kpt #: 8 total cpu time spent up to now is 47.0 secs Computing kpt #: 9 total cpu time spent up to now is 47.7 secs Computing kpt #: 10 total cpu time spent up to now is 48.3 secs Computing kpt #: 11 total cpu time spent up to now is 49.0 secs Computing kpt #: 12 total cpu time spent up to now is 49.6 secs Computing kpt #: 13 total cpu time spent up to now is 50.4 secs Computing kpt #: 14 total cpu time spent up to now is 51.1 secs Computing kpt #: 15 total cpu time spent up to now is 51.9 secs Computing kpt #: 16 total cpu time spent up to now is 52.6 secs Computing kpt #: 17 total cpu time spent up to now is 53.3 secs Computing kpt #: 18 total cpu time spent up to now is 54.0 secs Computing kpt #: 19 total cpu time spent up to now is 54.8 secs Computing kpt #: 20 total cpu time spent up to now is 55.5 secs Computing kpt #: 21 total cpu time spent up to now is 56.3 secs Computing kpt #: 22 total cpu time spent up to now is 57.0 secs Computing kpt #: 23 total cpu time spent up to now is 57.7 secs Computing kpt #: 24 total cpu time spent up to now is 58.4 secs Computing kpt #: 25 total cpu time spent up to now is 59.1 secs Computing kpt #: 26 total cpu time spent up to now is 59.9 secs Computing kpt #: 27 total cpu time spent up to now is 60.6 secs Computing kpt #: 28 total cpu time spent up to now is 61.4 secs Computing kpt #: 29 total cpu time spent up to now is 62.3 secs Computing kpt #: 30 total cpu time spent up to now is 63.1 secs Computing kpt #: 31 total cpu time spent up to now is 63.9 secs Computing kpt #: 32 total cpu time spent up to now is 64.7 secs Computing kpt #: 33 total cpu time spent up to now is 65.4 secs Computing kpt #: 34 total cpu time spent up to now is 66.2 secs Computing kpt #: 35 total cpu time spent up to now is 67.0 secs Computing kpt #: 36 total cpu time spent up to now is 67.9 secs Computing kpt #: 37 total cpu time spent up to now is 68.8 secs Computing kpt #: 38 total cpu time spent up to now is 69.7 secs Computing kpt #: 39 total cpu time spent up to now is 70.5 secs Computing kpt #: 40 total cpu time spent up to now is 71.4 secs Computing kpt #: 41 total cpu time spent up to now is 72.3 secs Computing kpt #: 42 total cpu time spent up to now is 73.2 secs Computing kpt #: 43 total cpu time spent up to now is 74.1 secs Computing kpt #: 44 total cpu time spent up to now is 75.0 secs Computing kpt #: 45 total cpu time spent up to now is 76.0 secs Computing kpt #: 46 total cpu time spent up to now is 76.9 secs Computing kpt #: 47 total cpu time spent up to now is 77.8 secs Computing kpt #: 48 total cpu time spent up to now is 78.8 secs Computing kpt #: 49 total cpu time spent up to now is 79.8 secs Computing kpt #: 50 total cpu time spent up to now is 80.7 secs Computing kpt #: 51 total cpu time spent up to now is 81.6 secs Computing kpt #: 52 total cpu time spent up to now is 82.6 secs Computing kpt #: 53 total cpu time spent up to now is 83.6 secs Computing kpt #: 54 total cpu time spent up to now is 84.5 secs Computing kpt #: 55 total cpu time spent up to now is 85.5 secs Computing kpt #: 56 total cpu time spent up to now is 86.4 secs Computing kpt #: 57 total cpu time spent up to now is 87.4 secs Computing kpt #: 58 total cpu time spent up to now is 88.3 secs Computing kpt #: 59 total cpu time spent up to now is 89.2 secs Computing kpt #: 60 total cpu time spent up to now is 90.1 secs Computing kpt #: 61 total cpu time spent up to now is 90.9 secs Computing kpt #: 62 total cpu time spent up to now is 91.8 secs Computing kpt #: 63 total cpu time spent up to now is 92.6 secs Computing kpt #: 64 total cpu time spent up to now is 93.4 secs Computing kpt #: 65 total cpu time spent up to now is 94.2 secs Computing kpt #: 66 total cpu time spent up to now is 94.9 secs Computing kpt #: 67 total cpu time spent up to now is 95.7 secs Computing kpt #: 68 total cpu time spent up to now is 96.5 secs Computing kpt #: 69 total cpu time spent up to now is 97.4 secs Computing kpt #: 70 total cpu time spent up to now is 98.2 secs Computing kpt #: 71 total cpu time spent up to now is 99.0 secs Computing kpt #: 72 total cpu time spent up to now is 99.8 secs Computing kpt #: 73 total cpu time spent up to now is 100.6 secs Computing kpt #: 74 total cpu time spent up to now is 101.4 secs Computing kpt #: 75 total cpu time spent up to now is 102.2 secs Computing kpt #: 76 total cpu time spent up to now is 103.0 secs Computing kpt #: 77 total cpu time spent up to now is 103.8 secs Computing kpt #: 78 total cpu time spent up to now is 104.6 secs Computing kpt #: 79 total cpu time spent up to now is 105.3 secs Computing kpt #: 80 total cpu time spent up to now is 106.0 secs Computing kpt #: 81 total cpu time spent up to now is 106.8 secs Computing kpt #: 82 total cpu time spent up to now is 107.6 secs Computing kpt #: 83 total cpu time spent up to now is 108.4 secs Computing kpt #: 84 total cpu time spent up to now is 109.3 secs Computing kpt #: 85 total cpu time spent up to now is 110.2 secs Computing kpt #: 86 total cpu time spent up to now is 111.0 secs Computing kpt #: 87 total cpu time spent up to now is 111.7 secs Computing kpt #: 88 total cpu time spent up to now is 112.5 secs Computing kpt #: 89 total cpu time spent up to now is 113.2 secs Computing kpt #: 90 total cpu time spent up to now is 113.9 secs Computing kpt #: 91 total cpu time spent up to now is 114.5 secs Computing kpt #: 92 total cpu time spent up to now is 115.1 secs Computing kpt #: 93 total cpu time spent up to now is 115.8 secs Computing kpt #: 94 total cpu time spent up to now is 116.4 secs Computing kpt #: 95 total cpu time spent up to now is 117.0 secs Computing kpt #: 96 total cpu time spent up to now is 117.6 secs Computing kpt #: 97 total cpu time spent up to now is 118.2 secs Computing kpt #: 98 total cpu time spent up to now is 118.7 secs Computing kpt #: 99 total cpu time spent up to now is 119.2 secs Computing kpt #: 100 total cpu time spent up to now is 119.7 secs Computing kpt #: 101 total cpu time spent up to now is 120.2 secs Computing kpt #: 102 total cpu time spent up to now is 120.7 secs Computing kpt #: 103 total cpu time spent up to now is 121.3 secs Computing kpt #: 104 total cpu time spent up to now is 121.8 secs Computing kpt #: 105 total cpu time spent up to now is 122.4 secs Computing kpt #: 106 total cpu time spent up to now is 122.9 secs Computing kpt #: 107 total cpu time spent up to now is 123.4 secs Computing kpt #: 108 total cpu time spent up to now is 123.9 secs Computing kpt #: 109 total cpu time spent up to now is 124.4 secs Computing kpt #: 110 total cpu time spent up to now is 124.9 secs Computing kpt #: 111 total cpu time spent up to now is 125.4 secs Computing kpt #: 112 total cpu time spent up to now is 125.9 secs Computing kpt #: 113 total cpu time spent up to now is 126.4 secs Computing kpt #: 114 total cpu time spent up to now is 127.0 secs Computing kpt #: 115 total cpu time spent up to now is 127.5 secs Computing kpt #: 116 total cpu time spent up to now is 128.1 secs Computing kpt #: 117 total cpu time spent up to now is 128.6 secs Computing kpt #: 118 total cpu time spent up to now is 129.1 secs Computing kpt #: 119 total cpu time spent up to now is 129.7 secs Computing kpt #: 120 total cpu time spent up to now is 130.3 secs Computing kpt #: 121 total cpu time spent up to now is 130.9 secs Computing kpt #: 122 total cpu time spent up to now is 131.5 secs Computing kpt #: 123 total cpu time spent up to now is 132.2 secs Computing kpt #: 124 total cpu time spent up to now is 132.9 secs Computing kpt #: 125 total cpu time spent up to now is 133.7 secs Computing kpt #: 126 total cpu time spent up to now is 134.4 secs Computing kpt #: 127 total cpu time spent up to now is 135.1 secs Computing kpt #: 128 total cpu time spent up to now is 135.8 secs Computing kpt #: 129 total cpu time spent up to now is 136.5 secs Computing kpt #: 130 total cpu time spent up to now is 137.3 secs Computing kpt #: 131 total cpu time spent up to now is 138.0 secs Computing kpt #: 132 total cpu time spent up to now is 138.8 secs Computing kpt #: 133 total cpu time spent up to now is 139.5 secs Computing kpt #: 134 total cpu time spent up to now is 140.2 secs Computing kpt #: 135 total cpu time spent up to now is 141.0 secs Computing kpt #: 136 total cpu time spent up to now is 141.6 secs Computing kpt #: 137 total cpu time spent up to now is 142.3 secs Computing kpt #: 138 total cpu time spent up to now is 142.9 secs Computing kpt #: 139 total cpu time spent up to now is 143.5 secs Computing kpt #: 140 total cpu time spent up to now is 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Computing kpt #: 156 total cpu time spent up to now is 155.5 secs Computing kpt #: 157 total cpu time spent up to now is 156.2 secs Computing kpt #: 158 total cpu time spent up to now is 156.9 secs Computing kpt #: 159 total cpu time spent up to now is 157.6 secs Computing kpt #: 160 total cpu time spent up to now is 158.4 secs Computing kpt #: 161 total cpu time spent up to now is 159.1 secs Computing kpt #: 162 total cpu time spent up to now is 159.7 secs Computing kpt #: 163 total cpu time spent up to now is 160.4 secs Computing kpt #: 164 total cpu time spent up to now is 161.0 secs Computing kpt #: 165 total cpu time spent up to now is 161.7 secs Computing kpt #: 166 total cpu time spent up to now is 162.3 secs Computing kpt #: 167 total cpu time spent up to now is 162.9 secs Computing kpt #: 168 total cpu time spent up to now is 163.6 secs Computing kpt #: 169 total cpu time spent up to now is 164.4 secs Computing kpt #: 170 total cpu time spent up to now is 165.0 secs Computing kpt #: 171 total cpu time spent up to now is 165.8 secs Computing kpt #: 172 total cpu time spent up to now is 166.5 secs Computing kpt #: 173 total cpu time spent up to now is 167.1 secs Computing kpt #: 174 total cpu time spent up to now is 167.7 secs Computing kpt #: 175 total cpu time spent up to now is 168.3 secs Computing kpt #: 176 total cpu time spent up to now is 168.9 secs Computing kpt #: 177 total cpu time spent up to now is 169.5 secs Computing kpt #: 178 total cpu time spent up to now is 170.1 secs Computing kpt #: 179 total cpu time spent up to now is 170.7 secs Computing kpt #: 180 total cpu time spent up to now is 171.3 secs Computing kpt #: 181 total cpu time spent up to now is 171.9 secs Computing kpt #: 182 total cpu time spent up to now is 172.4 secs Computing kpt #: 183 total cpu time spent up to now is 172.9 secs Computing kpt #: 184 total cpu time spent up to now is 173.4 secs Computing kpt #: 185 total cpu time spent up to now is 173.9 secs Computing kpt #: 186 total cpu time spent up to now is 174.5 secs Computing kpt #: 187 total cpu time spent up to now is 175.1 secs Computing kpt #: 188 total cpu time spent up to now is 175.6 secs Computing kpt #: 189 total cpu time spent up to now is 176.1 secs Computing kpt #: 190 total cpu time spent up to now is 176.7 secs Computing kpt #: 191 total cpu time spent up to now is 177.2 secs Computing kpt #: 192 total cpu time spent up to now is 177.7 secs Computing kpt #: 193 total cpu time spent up to now is 178.3 secs Computing kpt #: 194 total cpu time spent up to now is 178.9 secs Computing kpt #: 195 total cpu time spent up to now is 179.5 secs Computing kpt #: 196 total cpu time spent up to now is 180.1 secs Computing kpt #: 197 total cpu time spent up to now is 180.7 secs Computing kpt #: 198 total cpu time spent up to now is 181.3 secs Computing kpt #: 199 total cpu time spent up to now is 182.1 secs Computing kpt #: 200 total cpu time spent up to now is 182.8 secs Computing kpt #: 201 total cpu time spent up to now is 183.6 secs Computing kpt #: 202 total cpu time spent up to now is 184.3 secs Computing kpt #: 203 total cpu time spent up to now is 185.1 secs Computing kpt #: 204 total cpu time spent up to now is 185.9 secs Computing kpt #: 205 total cpu time spent up to now is 186.7 secs Computing kpt #: 206 total cpu time spent up to now is 187.5 secs Computing kpt #: 207 total cpu time spent up to now is 188.3 secs Computing kpt #: 208 total cpu time spent up to now is 189.1 secs Computing kpt #: 209 total cpu time spent up to now is 189.9 secs Computing kpt #: 210 total cpu time spent up to now is 190.7 secs Computing kpt #: 211 total cpu time spent up to now is 191.5 secs Computing kpt #: 212 total cpu time spent up to now is 192.3 secs Computing kpt #: 213 total cpu time spent up to now is 193.2 secs Computing kpt #: 214 total cpu time spent up to now is 194.3 secs Computing kpt #: 215 total cpu time spent up to now is 195.2 secs Computing kpt #: 216 total cpu time spent up to now is 196.4 secs Computing kpt #: 217 total cpu time spent up to now is 197.3 secs Computing kpt #: 218 total cpu time spent up to now is 198.1 secs Computing kpt #: 219 total cpu time spent up to now is 198.9 secs Computing kpt #: 220 total cpu time spent up to now is 199.9 secs Computing kpt #: 221 total cpu time spent up to now is 200.7 secs Computing kpt #: 222 total cpu time spent up to now is 201.6 secs Computing kpt #: 223 total cpu time spent up to now is 202.4 secs Computing kpt #: 224 total cpu time spent up to now is 203.3 secs Computing kpt #: 225 total cpu time spent up to now is 204.2 secs Computing kpt #: 226 total cpu time spent up to now is 205.1 secs Computing kpt #: 227 total cpu time spent up to now is 205.9 secs Computing kpt #: 228 total cpu time spent up to now is 206.7 secs Computing kpt #: 229 total cpu time spent up to now is 207.4 secs Computing kpt #: 230 total cpu time spent up to now is 208.1 secs Computing kpt #: 231 total cpu time spent up to now is 208.8 secs Computing kpt #: 232 total cpu time spent up to now is 209.5 secs Computing kpt #: 233 total cpu time spent up to now is 210.1 secs Computing kpt #: 234 total cpu time spent up to now is 210.8 secs Computing kpt #: 235 total cpu time spent up to now is 211.4 secs Computing kpt #: 236 total cpu time spent up to now is 212.0 secs Computing kpt #: 237 total cpu time spent up to now is 212.6 secs Computing kpt #: 238 total cpu time spent up to now is 213.3 secs Computing kpt #: 239 total cpu time spent up to now is 213.9 secs Computing kpt #: 240 total cpu time spent up to now is 214.5 secs Computing kpt #: 241 total cpu time spent up to now is 215.1 secs Computing kpt #: 242 total cpu time spent up to now is 215.8 secs Computing kpt #: 243 total cpu time spent up to now is 216.4 secs Computing kpt #: 244 total cpu time spent up to now is 217.1 secs Computing kpt #: 245 total cpu time spent up to now is 217.7 secs Computing kpt #: 246 total cpu time spent up to now is 218.5 secs Computing kpt #: 247 total cpu time spent up to now is 219.2 secs Computing kpt #: 248 total cpu time spent up to now is 219.9 secs Computing kpt #: 249 total cpu time spent up to now is 220.6 secs Computing kpt #: 250 total cpu time spent up to now is 221.3 secs Computing kpt #: 251 total cpu time spent up to now is 222.2 secs Computing kpt #: 252 total cpu time spent up to now is 223.0 secs Computing kpt #: 253 total cpu time spent up to now is 223.7 secs Computing kpt #: 254 total cpu time spent up to now is 224.5 secs Computing kpt #: 255 total cpu time spent up to now is 225.2 secs Computing kpt #: 256 total cpu time spent up to now is 225.9 secs Computing kpt #: 257 total cpu time spent up to now is 226.6 secs Computing kpt #: 258 total cpu time spent up to now is 227.2 secs Computing kpt #: 259 total cpu time spent up to now is 227.8 secs Computing kpt #: 260 total cpu time spent up to now is 228.5 secs Computing kpt #: 261 total cpu time spent up to now is 229.2 secs Computing kpt #: 262 total cpu time spent up to now is 229.9 secs Computing kpt #: 263 total cpu time spent up to now is 230.6 secs Computing kpt #: 264 total cpu time spent up to now is 231.2 secs Computing kpt #: 265 total cpu time spent up to now is 231.8 secs Computing kpt #: 266 total cpu time spent up to now is 232.5 secs Computing kpt #: 267 total cpu time spent up to now is 233.1 secs Computing kpt #: 268 total cpu time spent up to now is 233.8 secs Computing kpt #: 269 total cpu time spent up to now is 234.4 secs Computing kpt #: 270 total cpu time spent up to now is 235.0 secs Computing kpt #: 271 total cpu time spent up to now is 235.7 secs Computing kpt #: 272 total cpu time spent up to now is 236.3 secs Computing kpt #: 273 total cpu time spent up to now is 237.0 secs Computing kpt #: 274 total cpu time spent up to now is 237.7 secs Computing kpt #: 275 total cpu time spent up to now is 238.4 secs Computing kpt #: 276 total cpu time spent up to now is 239.0 secs Computing kpt #: 277 total cpu time spent up to now is 239.7 secs Computing kpt #: 278 total cpu time spent up to now is 240.4 secs Computing kpt #: 279 total cpu time spent up to now is 241.1 secs Computing kpt #: 280 total cpu time spent up to now is 241.8 secs Computing kpt #: 281 total cpu time spent up to now is 242.6 secs Computing kpt #: 282 total cpu time spent up to now is 243.2 secs Computing kpt #: 283 total cpu time spent up to now is 243.8 secs Computing kpt #: 284 total cpu time spent up to now is 244.5 secs Computing kpt #: 285 total cpu time spent up to now is 245.1 secs Computing kpt #: 286 total cpu time spent up to now is 245.6 secs Computing kpt #: 287 total cpu time spent up to now is 246.2 secs Computing kpt #: 288 total cpu time spent up to now is 246.8 secs Computing kpt #: 289 total cpu time spent up to now is 247.5 secs Computing kpt #: 290 total cpu time spent up to now is 248.0 secs Computing kpt #: 291 total cpu time spent up to now is 248.6 secs Computing kpt #: 292 total cpu time spent up to now is 249.2 secs Computing kpt #: 293 total cpu time spent up to now is 249.8 secs Computing kpt #: 294 total cpu time spent up to now is 250.3 secs Computing kpt #: 295 total cpu time spent up to now is 250.8 secs Computing kpt #: 296 total cpu time spent up to now is 251.3 secs Computing kpt #: 297 total cpu time spent up to now is 251.9 secs Computing kpt #: 298 total cpu time spent up to now is 252.6 secs Computing kpt #: 299 total cpu time spent up to now is 253.2 secs Computing kpt #: 300 total cpu time spent up to now is 253.8 secs Computing kpt #: 301 total cpu time spent up to now is 254.4 secs Computing kpt #: 302 total cpu time spent up to now is 255.0 secs Computing kpt #: 303 total cpu time spent up to now is 255.6 secs Computing kpt #: 304 total cpu time spent up to now is 256.2 secs Computing kpt #: 305 total cpu time spent up to now is 256.8 secs Computing kpt #: 306 total cpu time spent up to now is 257.4 secs Computing kpt #: 307 total cpu time spent up to now is 258.0 secs Computing kpt #: 308 total cpu time spent up to now is 258.6 secs Computing kpt #: 309 total cpu time spent up to now is 259.4 secs Computing kpt #: 310 total cpu time spent up to now is 260.1 secs Computing kpt #: 311 total cpu time spent up to now is 261.0 secs Computing kpt #: 312 total cpu time spent up to now is 261.9 secs Computing kpt #: 313 total cpu time spent up to now is 262.7 secs Computing kpt #: 314 total cpu time spent up to now is 263.5 secs Computing kpt #: 315 total cpu time spent up to now is 264.3 secs Computing kpt #: 316 total cpu time spent up to now is 265.2 secs Computing kpt #: 317 total cpu time spent up to now is 266.1 secs Computing kpt #: 318 total cpu time spent up to now is 266.9 secs Computing kpt #: 319 total cpu time spent up to now is 267.7 secs Computing kpt #: 320 total cpu time spent up to now is 268.6 secs Computing kpt #: 321 total cpu time spent up to now is 269.5 secs Computing kpt #: 322 total cpu time spent up to now is 270.6 secs Computing kpt #: 323 total cpu time spent up to now is 271.5 secs Computing kpt #: 324 total cpu time spent up to now is 272.4 secs Computing kpt #: 325 total cpu time spent up to now is 273.3 secs Computing kpt #: 326 total cpu time spent up to now is 274.2 secs Computing kpt #: 327 total cpu time spent up to now is 275.1 secs Computing kpt #: 328 total cpu time spent up to now is 275.9 secs Computing kpt #: 329 total cpu time spent up to now is 276.8 secs Computing kpt #: 330 total cpu time spent up to now is 277.8 secs Computing kpt #: 331 total cpu time spent up to now is 278.7 secs Computing kpt #: 332 total cpu time spent up to now is 279.5 secs Computing kpt #: 333 total cpu time spent up to now is 280.5 secs Computing kpt #: 334 total cpu time spent up to now is 281.3 secs Computing kpt #: 335 total cpu time spent up to now is 282.2 secs Computing kpt #: 336 total cpu time spent up to now is 283.1 secs Computing kpt #: 337 total cpu time spent up to now is 284.0 secs Computing kpt #: 338 total cpu time spent up to now is 284.9 secs Computing kpt #: 339 total cpu time spent up to now is 285.5 secs Computing kpt #: 340 total cpu time spent up to now is 286.3 secs Computing kpt #: 341 total cpu time spent up to now is 286.9 secs Computing kpt #: 342 total cpu time spent up to now is 287.7 secs Computing kpt #: 343 total cpu time spent up to now is 288.4 secs Computing kpt #: 344 total cpu time spent up to now is 289.1 secs Computing kpt #: 345 total cpu time spent up to now is 289.8 secs Computing kpt #: 346 total cpu time spent up to now is 290.5 secs Computing kpt #: 347 total cpu time spent up to now is 291.3 secs Computing kpt #: 348 total cpu time spent up to now is 292.0 secs Computing kpt #: 349 total cpu time spent up to now is 292.7 secs Computing kpt #: 350 total cpu time spent up to now is 293.4 secs Computing kpt #: 351 total cpu time spent up to now is 294.1 secs Computing kpt #: 352 total cpu time spent up to now is 294.9 secs Computing kpt #: 353 total cpu time spent up to now is 295.7 secs Computing kpt #: 354 total cpu time spent up to now is 296.6 secs Computing kpt #: 355 total cpu time spent up to now is 297.4 secs Computing kpt #: 356 total cpu time spent up to now is 298.1 secs Computing kpt #: 357 total cpu time spent up to now is 298.9 secs Computing kpt #: 358 total cpu time spent up to now is 299.6 secs Computing kpt #: 359 total cpu time spent up to now is 300.4 secs Computing kpt #: 360 total cpu time spent up to now is 301.1 secs Computing kpt #: 361 total cpu time spent up to now is 302.0 secs Computing kpt #: 362 total cpu time spent up to now is 302.8 secs Computing kpt #: 363 total cpu time spent up to now is 303.5 secs Computing kpt #: 364 total cpu time spent up to now is 304.3 secs Computing kpt #: 365 total cpu time spent up to now is 305.1 secs Computing kpt #: 366 total cpu time spent up to now is 305.9 secs ethr = 4.17E-11, avg # of iterations = 33.5 total cpu time spent up to now is 306.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2539 PWs) bands (ev): -54.5222 -54.5222 -28.7917 -28.7917 -21.0842 -21.0842 -20.9851 -20.9851 -5.6941 -5.6941 -3.9820 -3.9820 2.5865 2.5865 4.6857 4.6857 4.7197 4.7197 7.1839 7.1839 7.3588 7.3588 7.4377 7.4377 9.3701 9.3701 9.4177 9.4177 10.0092 10.0092 12.6809 12.6809 k = 0.0098 0.0057-0.0000 ( 2539 PWs) bands (ev): -54.5222 -54.5222 -28.7917 -28.7917 -21.0843 -21.0843 -20.9852 -20.9852 -5.6930 -5.6930 -3.9822 -3.9822 2.5879 2.5879 4.6852 4.6852 4.7193 4.7193 7.1789 7.1789 7.3529 7.3529 7.4374 7.4374 9.3727 9.3727 9.4200 9.4200 10.0106 10.0106 12.6728 12.6728 k = 0.0196 0.0113-0.0000 ( 2539 PWs) bands (ev): -54.5222 -54.5222 -28.7918 -28.7918 -21.0843 -21.0843 -20.9857 -20.9857 -5.6896 -5.6896 -3.9827 -3.9827 2.5922 2.5922 4.6831 4.6831 4.7184 4.7184 7.1636 7.1636 7.3356 7.3356 7.4368 7.4368 9.3800 9.3800 9.4272 9.4272 10.0149 10.0149 12.6470 12.6470 k = 0.0294 0.0170-0.0000 ( 2541 PWs) bands (ev): -54.5221 -54.5221 -28.7920 -28.7920 -21.0844 -21.0844 -20.9865 -20.9865 -5.6839 -5.6839 -3.9836 -3.9836 2.5993 2.5993 4.6787 4.6787 4.7181 4.7181 7.1367 7.1367 7.3087 7.3087 7.4361 7.4361 9.3900 9.3900 9.4400 9.4400 10.0223 10.0223 12.6078 12.6078 k = 0.0392 0.0226-0.0000 ( 2543 PWs) bands (ev): -54.5221 -54.5221 -28.7922 -28.7922 -21.0845 -21.0845 -20.9876 -20.9876 -5.6760 -5.6760 -3.9848 -3.9848 2.6092 2.6092 4.6709 4.6709 4.7193 4.7193 7.0966 7.0966 7.2751 7.2751 7.4354 7.4354 9.4002 9.4002 9.4598 9.4598 10.0330 10.0330 12.5639 12.5639 k = 0.0490 0.0283-0.0000 ( 2549 PWs) bands (ev): -54.5220 -54.5220 -28.7926 -28.7926 -21.0847 -21.0847 -20.9890 -20.9890 -5.6659 -5.6659 -3.9863 -3.9863 2.6220 2.6220 4.6596 4.6596 4.7225 4.7225 7.0419 7.0419 7.2377 7.2377 7.4349 7.4349 9.4083 9.4083 9.4869 9.4869 10.0472 10.0472 12.5204 12.5204 k = 0.0588 0.0340-0.0000 ( 2547 PWs) bands (ev): -54.5220 -54.5220 -28.7929 -28.7929 -21.0849 -21.0849 -20.9907 -20.9907 -5.6536 -5.6536 -3.9881 -3.9881 2.6375 2.6375 4.6451 4.6451 4.7275 4.7275 6.9729 6.9729 7.1984 7.1984 7.4341 7.4341 9.4134 9.4134 9.5207 9.5207 10.0651 10.0651 12.4799 12.4799 k = 0.0686 0.0396-0.0000 ( 2539 PWs) bands (ev): -54.5219 -54.5219 -28.7933 -28.7933 -21.0851 -21.0851 -20.9925 -20.9925 -5.6391 -5.6391 -3.9903 -3.9903 2.6558 2.6558 4.6280 4.6280 4.7339 4.7339 6.8909 6.8909 7.1576 7.1576 7.4328 7.4328 9.4150 9.4150 9.5602 9.5602 10.0866 10.0866 12.4439 12.4439 k = 0.0784 0.0453-0.0000 ( 2545 PWs) bands (ev): -54.5218 -54.5218 -28.7938 -28.7938 -21.0854 -21.0854 -20.9948 -20.9948 -5.6225 -5.6225 -3.9927 -3.9927 2.6768 2.6768 4.6087 4.6087 4.7415 4.7415 6.7980 6.7980 7.1156 7.1156 7.4306 7.4306 9.4129 9.4129 9.6041 9.6041 10.1117 10.1117 12.4130 12.4130 k = 0.0882 0.0509-0.0000 ( 2549 PWs) bands (ev): -54.5217 -54.5217 -28.7944 -28.7944 -21.0858 -21.0858 -20.9972 -20.9972 -5.6038 -5.6038 -3.9955 -3.9955 2.7004 2.7004 4.5875 4.5875 4.7503 4.7503 6.6961 6.6961 7.0721 7.0721 7.4269 7.4269 9.4071 9.4071 9.6519 9.6519 10.1400 10.1400 12.3879 12.3879 k = 0.0980 0.0566-0.0000 ( 2545 PWs) bands (ev): -54.5216 -54.5216 -28.7950 -28.7950 -21.0862 -21.0862 -20.9998 -20.9998 -5.5831 -5.5831 -3.9985 -3.9985 2.7267 2.7267 4.5648 4.5648 4.7601 4.7601 6.5871 6.5871 7.0274 7.0274 7.4212 7.4212 9.3975 9.3975 9.7026 9.7026 10.1713 10.1713 12.3689 12.3689 k = 0.1078 0.0623-0.0000 ( 2545 PWs) bands (ev): -54.5214 -54.5214 -28.7956 -28.7956 -21.0867 -21.0867 -21.0027 -21.0027 -5.5603 -5.5603 -4.0018 -4.0018 2.7556 2.7556 4.5409 4.5409 4.7707 4.7707 6.4724 6.4724 6.9814 6.9814 7.4132 7.4132 9.3845 9.3845 9.7557 9.7557 10.2052 10.2052 12.3564 12.3564 k = 0.1176 0.0679-0.0000 ( 2549 PWs) bands (ev): -54.5213 -54.5213 -28.7964 -28.7964 -21.0873 -21.0873 -21.0057 -21.0057 -5.5357 -5.5357 -4.0054 -4.0054 2.7869 2.7869 4.5162 4.5162 4.7821 4.7821 6.3532 6.3532 6.9346 6.9346 7.4023 7.4023 9.3683 9.3683 9.8106 9.8106 10.2412 10.2412 12.3505 12.3505 k = 0.1275 0.0736-0.0000 ( 2541 PWs) bands (ev): -54.5212 -54.5212 -28.7970 -28.7970 -21.0879 -21.0879 -21.0088 -21.0088 -5.5091 -5.5091 -4.0092 -4.0092 2.8207 2.8207 4.4909 4.4909 4.7942 4.7942 6.2305 6.2305 6.8872 6.8872 7.3881 7.3881 9.3492 9.3492 9.8668 9.8668 10.2792 10.2792 12.3515 12.3515 k = 0.1373 0.0792-0.0000 ( 2539 PWs) bands (ev): -54.5210 -54.5210 -28.7978 -28.7978 -21.0886 -21.0886 -21.0121 -21.0121 -5.4807 -5.4807 -4.0133 -4.0133 2.8567 2.8567 4.4653 4.4653 4.8069 4.8069 6.1053 6.1053 6.8395 6.8395 7.3703 7.3703 9.3276 9.3276 9.9238 9.9238 10.3188 10.3188 12.3594 12.3594 k = 0.1471 0.0849-0.0000 ( 2543 PWs) bands (ev): -54.5209 -54.5209 -28.7987 -28.7987 -21.0896 -21.0896 -21.0155 -21.0155 -5.4506 -5.4506 -4.0175 -4.0175 2.8950 2.8950 4.4398 4.4398 4.8200 4.8200 5.9783 5.9783 6.7918 6.7918 7.3487 7.3487 9.3038 9.3038 9.9814 9.9814 10.3599 10.3599 12.3743 12.3743 k = 0.1569 0.0906-0.0000 ( 2547 PWs) bands (ev): -54.5207 -54.5207 -28.7996 -28.7996 -21.0907 -21.0907 -21.0190 -21.0190 -5.4188 -5.4188 -4.0220 -4.0220 2.9354 2.9354 4.4144 4.4144 4.8335 4.8335 5.8503 5.8503 6.7443 6.7443 7.3231 7.3231 9.2781 9.2781 10.0392 10.0392 10.4023 10.4023 12.3960 12.3960 k = 0.1667 0.0962-0.0000 ( 2547 PWs) bands (ev): -54.5205 -54.5205 -28.8006 -28.8006 -21.0919 -21.0919 -21.0224 -21.0224 -5.3855 -5.3855 -4.0266 -4.0266 2.9777 2.9777 4.3894 4.3894 4.8472 4.8472 5.7220 5.7220 6.6973 6.6973 7.2933 7.2933 9.2510 9.2510 10.0969 10.0969 10.4458 10.4458 12.4246 12.4246 k = 0.1765 0.1019-0.0000 ( 2541 PWs) bands (ev): -54.5203 -54.5203 -28.8014 -28.8014 -21.0933 -21.0933 -21.0258 -21.0258 -5.3507 -5.3507 -4.0313 -4.0313 3.0218 3.0218 4.3650 4.3650 4.8610 4.8610 5.5939 5.5939 6.6510 6.6510 7.2592 7.2592 9.2226 9.2226 10.1542 10.1542 10.4905 10.4905 12.4597 12.4597 k = 0.1863 0.1075-0.0000 ( 2541 PWs) bands (ev): -54.5201 -54.5201 -28.8024 -28.8024 -21.0949 -21.0949 -21.0291 -21.0291 -5.3145 -5.3145 -4.0362 -4.0362 3.0674 3.0674 4.3413 4.3413 4.8748 4.8748 5.4667 5.4667 6.6057 6.6057 7.2210 7.2210 9.1932 9.1932 10.2111 10.2111 10.5361 10.5361 12.5010 12.5010 k = 0.1961 0.1132-0.0000 ( 2539 PWs) bands (ev): -54.5199 -54.5199 -28.8034 -28.8034 -21.0968 -21.0968 -21.0323 -21.0323 -5.2770 -5.2770 -4.0411 -4.0411 3.1143 3.1143 4.3184 4.3184 4.8884 4.8884 5.3411 5.3411 6.5615 6.5615 7.1786 7.1786 9.1631 9.1631 10.2674 10.2674 10.5827 10.5827 12.5483 12.5483 k = 0.2059 0.1189-0.0000 ( 2539 PWs) bands (ev): -54.5198 -54.5198 -28.8045 -28.8045 -21.0989 -21.0989 -21.0353 -21.0353 -5.2384 -5.2384 -4.0461 -4.0461 3.1622 3.1622 4.2963 4.2963 4.9016 4.9016 5.2180 5.2180 6.5187 6.5187 7.1323 7.1323 9.1325 9.1325 10.3231 10.3231 10.6302 10.6302 12.6010 12.6010 k = 0.2157 0.1245-0.0000 ( 2531 PWs) bands (ev): -54.5195 -54.5195 -28.8054 -28.8054 -21.1012 -21.1012 -21.0382 -21.0382 -5.1988 -5.1988 -4.0511 -4.0511 3.2107 3.2107 4.2751 4.2751 4.9139 4.9139 5.0984 5.0984 6.4773 6.4773 7.0821 7.0821 9.1017 9.1017 10.3779 10.3779 10.6785 10.6785 12.6588 12.6588 k = 0.2255 0.1302-0.0000 ( 2539 PWs) bands (ev): -54.5194 -54.5194 -28.8066 -28.8066 -21.1040 -21.1040 -21.0409 -21.0409 -5.1582 -5.1582 -4.0561 -4.0561 3.2591 3.2591 4.2545 4.2545 4.9221 4.9221 4.9864 4.9864 6.4375 6.4375 7.0284 7.0284 9.0708 9.0708 10.4320 10.4320 10.7276 10.7276 12.7208 12.7208 k = 0.2353 0.1358-0.0000 ( 2539 PWs) bands (ev): -54.5191 -54.5191 -28.8077 -28.8077 -21.1069 -21.1069 -21.0433 -21.0433 -5.1169 -5.1169 -4.0610 -4.0610 3.3068 3.3068 4.2344 4.2344 4.8636 4.8636 4.9458 4.9458 6.3994 6.3994 6.9714 6.9714 9.0400 9.0400 10.4852 10.4852 10.7774 10.7774 12.7867 12.7867 k = 0.2451 0.1415-0.0000 ( 2535 PWs) bands (ev): -54.5189 -54.5189 -28.8087 -28.8087 -21.1101 -21.1101 -21.0454 -21.0454 -5.0750 -5.0750 -4.0658 -4.0658 3.3528 3.3528 4.2143 4.2143 4.7622 4.7622 4.9543 4.9543 6.3632 6.3632 6.9113 6.9113 9.0096 9.0096 10.5377 10.5377 10.8279 10.8279 12.8554 12.8554 k = 0.2549 0.1472-0.0000 ( 2535 PWs) bands (ev): -54.5187 -54.5187 -28.8098 -28.8098 -21.1135 -21.1135 -21.0474 -21.0474 -5.0327 -5.0327 -4.0705 -4.0705 3.3957 3.3957 4.1940 4.1940 4.6674 4.6674 4.9642 4.9642 6.3289 6.3289 6.8486 6.8486 8.9796 8.9796 10.5893 10.5893 10.8788 10.8788 12.9263 12.9263 k = 0.2647 0.1528-0.0000 ( 2535 PWs) bands (ev): -54.5185 -54.5185 -28.8109 -28.8109 -21.1172 -21.1172 -21.0491 -21.0491 -4.9901 -4.9901 -4.0750 -4.0750 3.4335 3.4335 4.1729 4.1729 4.5836 4.5836 4.9736 4.9736 6.2965 6.2965 6.7836 6.7836 8.9501 8.9501 10.6401 10.6401 10.9303 10.9303 12.9983 12.9983 k = 0.2745 0.1585-0.0000 ( 2533 PWs) bands (ev): -54.5183 -54.5183 -28.8120 -28.8120 -21.1210 -21.1210 -21.0506 -21.0506 -4.9474 -4.9474 -4.0792 -4.0792 3.4634 3.4634 4.1515 4.1515 4.5135 4.5135 4.9822 4.9822 6.2661 6.2661 6.7166 6.7166 8.9214 8.9214 10.6900 10.6900 10.9821 10.9821 13.0699 13.0699 k = 0.2843 0.1641-0.0000 ( 2525 PWs) bands (ev): -54.5181 -54.5181 -28.8129 -28.8129 -21.1248 -21.1248 -21.0518 -21.0518 -4.9047 -4.9047 -4.0831 -4.0831 3.4819 3.4819 4.1315 4.1315 4.4593 4.4593 4.9898 4.9898 6.2376 6.2376 6.6481 6.6481 8.8936 8.8936 10.7392 10.7392 11.0341 11.0341 13.1392 13.1392 k = 0.2941 0.1698-0.0000 ( 2525 PWs) bands (ev): -54.5179 -54.5179 -28.8140 -28.8140 -21.1289 -21.1289 -21.0530 -21.0530 -4.8624 -4.8624 -4.0867 -4.0867 3.4850 3.4850 4.1165 4.1165 4.4210 4.4210 4.9963 4.9963 6.2109 6.2109 6.5784 6.5784 8.8666 8.8666 10.7876 10.7876 11.0862 11.0862 13.1983 13.1983 k = 0.3039 0.1755-0.0000 ( 2523 PWs) bands (ev): -54.5177 -54.5177 -28.8150 -28.8150 -21.1329 -21.1329 -21.0539 -21.0539 -4.8206 -4.8206 -4.0897 -4.0897 3.4701 3.4701 4.1108 4.1108 4.3973 4.3973 5.0017 5.0017 6.1858 6.1858 6.5082 6.5082 8.8405 8.8405 10.8351 10.8351 11.1381 11.1381 13.2457 13.2457 k = 0.3137 0.1811-0.0000 ( 2529 PWs) bands (ev): -54.5175 -54.5175 -28.8161 -28.8161 -21.1371 -21.1371 -21.0548 -21.0548 -4.7796 -4.7796 -4.0923 -4.0923 3.4372 3.4372 4.1166 4.1166 4.3858 4.3858 5.0061 5.0061 6.1620 6.1620 6.4380 6.4380 8.8156 8.8156 10.8817 10.8817 11.1895 11.1895 13.2913 13.2913 k = 0.3235 0.1868-0.0000 ( 2521 PWs) bands (ev): -54.5173 -54.5173 -28.8170 -28.8170 -21.1411 -21.1411 -21.0555 -21.0555 -4.7395 -4.7395 -4.0942 -4.0942 3.3894 3.3894 4.1328 4.1328 4.3847 4.3847 5.0093 5.0093 6.1387 6.1387 6.3690 6.3690 8.7917 8.7917 10.9275 10.9275 11.2402 11.2402 13.3361 13.3361 k = 0.3333 0.1925-0.0000 ( 2525 PWs) bands (ev): -54.5171 -54.5171 -28.8180 -28.8180 -21.1452 -21.1452 -21.0562 -21.0562 -4.7008 -4.7008 -4.0954 -4.0954 3.3308 3.3308 4.1564 4.1564 4.3926 4.3926 5.0115 5.0115 6.1145 6.1145 6.3026 6.3026 8.7689 8.7689 10.9722 10.9722 11.2897 11.2897 13.3789 13.3789 k = 0.3431 0.1981-0.0000 ( 2515 PWs) bands (ev): -54.5170 -54.5170 -28.8188 -28.8188 -21.1490 -21.1490 -21.0566 -21.0566 -4.6635 -4.6635 -4.0959 -4.0959 3.2657 3.2657 4.1839 4.1839 4.4086 4.4086 5.0128 5.0128 6.0866 6.0866 6.2420 6.2420 8.7474 8.7474 11.0158 11.0158 11.3377 11.3377 13.4156 13.4156 k = 0.3529 0.2038-0.0000 ( 2513 PWs) bands (ev): -54.5168 -54.5168 -28.8197 -28.8197 -21.1529 -21.1529 -21.0571 -21.0571 -4.6281 -4.6281 -4.0954 -4.0954 3.1973 3.1973 4.2127 4.2127 4.4320 4.4320 5.0131 5.0131 6.0504 6.0504 6.1919 6.1919 8.7270 8.7270 11.0582 11.0582 11.3837 11.3837 13.4357 13.4357 k = 0.3627 0.2094-0.0000 ( 2513 PWs) bands (ev): -54.5166 -54.5166 -28.8206 -28.8206 -21.1565 -21.1565 -21.0575 -21.0575 -4.5946 -4.5946 -4.0940 -4.0940 3.1280 3.1280 4.2412 4.2412 4.4619 4.4619 5.0126 5.0126 6.0027 6.0027 6.1558 6.1558 8.7079 8.7079 11.0991 11.0991 11.4273 11.4273 13.4397 13.4397 k = 0.3725 0.2151-0.0000 ( 2509 PWs) bands (ev): -54.5165 -54.5165 -28.8213 -28.8213 -21.1600 -21.1600 -21.0578 -21.0578 -4.5636 -4.5636 -4.0916 -4.0916 3.0594 3.0594 4.2688 4.2688 4.4969 4.4969 5.0115 5.0115 5.9454 5.9454 6.1318 6.1318 8.6901 8.6901 11.1383 11.1383 11.4679 11.4679 13.4346 13.4346 k = 0.3824 0.2208-0.0000 ( 2513 PWs) bands (ev): -54.5163 -54.5163 -28.8221 -28.8221 -21.1634 -21.1634 -21.0581 -21.0581 -4.5350 -4.5350 -4.0881 -4.0881 2.9929 2.9929 4.2955 4.2955 4.5353 4.5353 5.0098 5.0098 5.8833 5.8833 6.1155 6.1155 8.6735 8.6735 11.1756 11.1756 11.5051 11.5051 13.4249 13.4249 k = 0.3922 0.2264-0.0000 ( 2521 PWs) bands (ev): -54.5162 -54.5162 -28.8229 -28.8229 -21.1667 -21.1667 -21.0584 -21.0584 -4.5091 -4.5091 -4.0836 -4.0836 2.9294 2.9294 4.3217 4.3217 4.5757 4.5757 5.0077 5.0077 5.8195 5.8195 6.1039 6.1039 8.6582 8.6582 11.2106 11.2106 11.5386 11.5386 13.4145 13.4145 k = 0.4020 0.2321-0.0000 ( 2507 PWs) bands (ev): -54.5161 -54.5161 -28.8234 -28.8234 -21.1695 -21.1695 -21.0585 -21.0585 -4.4861 -4.4861 -4.0781 -4.0781 2.8697 2.8697 4.3475 4.3475 4.6166 4.6166 5.0053 5.0053 5.7560 5.7560 6.0952 6.0952 8.6442 8.6442 11.2431 11.2431 11.5680 11.5680 13.4064 13.4064 k = 0.4118 0.2377-0.0000 ( 2509 PWs) bands (ev): -54.5160 -54.5160 -28.8241 -28.8241 -21.1722 -21.1722 -21.0587 -21.0587 -4.4659 -4.4659 -4.0718 -4.0718 2.8142 2.8142 4.3732 4.3732 4.6568 4.6568 5.0028 5.0028 5.6939 5.6939 6.0885 6.0885 8.6315 8.6315 11.2726 11.2726 11.5934 11.5934 13.4031 13.4031 k = 0.4216 0.2434-0.0000 ( 2505 PWs) bands (ev): -54.5158 -54.5158 -28.8246 -28.8246 -21.1746 -21.1746 -21.0589 -21.0589 -4.4485 -4.4485 -4.0649 -4.0649 2.7635 2.7635 4.3987 4.3987 4.6955 4.6955 5.0002 5.0002 5.6342 5.6342 6.0834 6.0834 8.6201 8.6201 11.2990 11.2990 11.6147 11.6147 13.4062 13.4062 k = 0.4314 0.2491-0.0000 ( 2509 PWs) bands (ev): -54.5158 -54.5158 -28.8251 -28.8251 -21.1768 -21.1768 -21.0590 -21.0590 -4.4338 -4.4338 -4.0577 -4.0577 2.7179 2.7179 4.4236 4.4236 4.7318 4.7318 4.9977 4.9977 5.5776 5.5776 6.0795 6.0795 8.6101 8.6101 11.3219 11.3219 11.6323 11.6323 13.4166 13.4166 k = 0.4412 0.2547-0.0000 ( 2509 PWs) bands (ev): -54.5157 -54.5157 -28.8255 -28.8255 -21.1787 -21.1787 -21.0591 -21.0591 -4.4217 -4.4217 -4.0506 -4.0506 2.6778 2.6778 4.4476 4.4476 4.7651 4.7651 4.9955 4.9955 5.5249 5.5249 6.0766 6.0766 8.6014 8.6014 11.3412 11.3412 11.6466 11.6466 13.4345 13.4345 k = 0.4510 0.2604-0.0000 ( 2507 PWs) bands (ev): -54.5156 -54.5156 -28.8259 -28.8259 -21.1804 -21.1804 -21.0592 -21.0592 -4.4119 -4.4119 -4.0438 -4.0438 2.6434 2.6434 4.4701 4.4701 4.7947 4.7947 4.9936 4.9936 5.4770 5.4770 6.0743 6.0743 8.5940 8.5940 11.3568 11.3568 11.6581 11.6581 13.4595 13.4595 k = 0.4608 0.2660-0.0000 ( 2509 PWs) bands (ev): -54.5156 -54.5156 -28.8262 -28.8262 -21.1817 -21.1817 -21.0593 -21.0593 -4.4042 -4.4042 -4.0377 -4.0377 2.6150 2.6150 4.4903 4.4903 4.8202 4.8202 4.9922 4.9922 5.4350 5.4350 6.0727 6.0727 8.5880 8.5880 11.3690 11.3690 11.6670 11.6670 13.4904 13.4904 k = 0.4706 0.2717-0.0000 ( 2510 PWs) bands (ev): -54.5155 -54.5155 -28.8264 -28.8264 -21.1828 -21.1828 -21.0593 -21.0593 -4.3985 -4.3985 -4.0326 -4.0326 2.5927 2.5927 4.5074 4.5074 4.8408 4.8408 4.9912 4.9912 5.4002 5.4002 6.0715 6.0715 8.5833 8.5833 11.3780 11.3780 11.6737 11.6737 13.5249 13.5249 k = 0.4804 0.2774-0.0000 ( 2506 PWs) bands (ev): -54.5155 -54.5155 -28.8266 -28.8266 -21.1835 -21.1835 -21.0594 -21.0594 -4.3945 -4.3945 -4.0287 -4.0287 2.5766 2.5766 4.5204 4.5204 4.8561 4.8561 4.9908 4.9908 5.3738 5.3738 6.0708 6.0708 8.5799 8.5799 11.3840 11.3840 11.6785 11.6785 13.5591 13.5591 k = 0.4902 0.2830-0.0000 ( 2516 PWs) bands (ev): -54.5155 -54.5155 -28.8268 -28.8268 -21.1841 -21.1841 -21.0594 -21.0594 -4.3922 -4.3922 -4.0264 -4.0264 2.5670 2.5670 4.5286 4.5286 4.8655 4.8655 4.9906 4.9906 5.3573 5.3573 6.0703 6.0703 8.5779 8.5779 11.3875 11.3875 11.6813 11.6813 13.5862 13.5862 k = 0.5000 0.2887-0.0000 ( 2518 PWs) bands (ev): -54.5155 -54.5155 -28.8268 -28.8268 -21.1842 -21.1842 -21.0595 -21.0595 -4.3914 -4.3914 -4.0256 -4.0256 2.5637 2.5637 4.5314 4.5314 4.8687 4.8687 4.9906 4.9906 5.3516 5.3516 6.0702 6.0702 8.5772 8.5772 11.3886 11.3886 11.6822 11.6822 13.5970 13.5970 k = 0.5000 0.2887-0.0000 ( 2518 PWs) bands (ev): -54.5155 -54.5155 -28.8268 -28.8268 -21.1842 -21.1842 -21.0595 -21.0595 -4.3914 -4.3914 -4.0256 -4.0256 2.5637 2.5637 4.5314 4.5314 4.8687 4.8687 4.9906 4.9906 5.3516 5.3516 6.0702 6.0702 8.5772 8.5772 11.3886 11.3886 11.6822 11.6822 13.5970 13.5970 k = 0.4943 0.2986-0.0000 ( 2516 PWs) bands (ev): -54.5155 -54.5155 -28.8268 -28.8268 -21.1842 -21.1842 -21.0595 -21.0595 -4.3908 -4.3908 -4.0257 -4.0257 2.5652 2.5652 4.5275 4.5275 4.8695 4.8695 4.9912 4.9912 5.3547 5.3547 6.0624 6.0624 8.5846 8.5846 11.3867 11.3867 11.6800 11.6800 13.5941 13.5941 k = 0.4885 0.3086-0.0000 ( 2512 PWs) bands (ev): -54.5155 -54.5155 -28.8268 -28.8268 -21.1840 -21.1840 -21.0598 -21.0598 -4.3890 -4.3890 -4.0260 -4.0260 2.5694 2.5694 4.5163 4.5163 4.8720 4.8720 4.9928 4.9928 5.3638 5.3638 6.0395 6.0395 8.6062 8.6062 11.3809 11.3809 11.6733 11.6733 13.5843 13.5843 k = 0.4828 0.3185-0.0000 ( 2508 PWs) bands (ev): -54.5154 -54.5154 -28.8268 -28.8268 -21.1837 -21.1837 -21.0604 -21.0604 -4.3859 -4.3859 -4.0266 -4.0266 2.5765 2.5765 4.4985 4.4985 4.8760 4.8760 4.9953 4.9953 5.3782 5.3782 6.0025 6.0025 8.6413 8.6413 11.3715 11.3715 11.6624 11.6624 13.5636 13.5636 k = 0.4770 0.3285-0.0000 ( 2504 PWs) bands (ev): -54.5154 -54.5154 -28.8269 -28.8269 -21.1833 -21.1833 -21.0611 -21.0611 -4.3817 -4.3817 -4.0274 -4.0274 2.5863 2.5863 4.4750 4.4750 4.8813 4.8813 4.9987 4.9987 5.3969 5.3969 5.9531 5.9531 8.6882 8.6882 11.3586 11.3586 11.6474 11.6474 13.5293 13.5293 k = 0.4713 0.3384-0.0000 ( 2508 PWs) bands (ev): -54.5154 -54.5154 -28.8270 -28.8270 -21.1829 -21.1829 -21.0621 -21.0621 -4.3763 -4.3763 -4.0284 -4.0284 2.5989 2.5989 4.4471 4.4471 4.8878 4.8878 5.0028 5.0028 5.4183 5.4183 5.8933 5.8933 8.7455 8.7455 11.3426 11.3426 11.6287 11.6287 13.4844 13.4844 k = 0.4655 0.3484-0.0000 ( 2512 PWs) bands (ev): -54.5154 -54.5154 -28.8272 -28.8272 -21.1824 -21.1824 -21.0634 -21.0634 -4.3698 -4.3698 -4.0296 -4.0296 2.6143 2.6143 4.4158 4.4158 4.8953 4.8953 5.0076 5.0076 5.4407 5.4407 5.8259 5.8259 8.8111 8.8111 11.3237 11.3237 11.6068 11.6068 13.4343 13.4343 k = 0.4598 0.3584-0.0000 ( 2514 PWs) bands (ev): -54.5154 -54.5154 -28.8273 -28.8273 -21.1818 -21.1818 -21.0647 -21.0647 -4.3622 -4.3622 -4.0310 -4.0310 2.6323 2.6323 4.3821 4.3821 4.9034 4.9034 5.0131 5.0131 5.4609 5.4609 5.7550 5.7550 8.8835 8.8835 11.3024 11.3024 11.5821 11.5821 13.3826 13.3826 k = 0.4540 0.3683-0.0000 ( 2512 PWs) bands (ev): -54.5153 -54.5153 -28.8274 -28.8274 -21.1811 -21.1811 -21.0663 -21.0663 -4.3537 -4.3537 -4.0327 -4.0327 2.6529 2.6529 4.3468 4.3468 4.9118 4.9118 5.0194 5.0194 5.4721 5.4721 5.6881 5.6881 8.9609 8.9609 11.2791 11.2791 11.5551 11.5551 13.3309 13.3309 k = 0.4483 0.3783-0.0000 ( 2508 PWs) bands (ev): -54.5153 -54.5153 -28.8276 -28.8276 -21.1802 -21.1802 -21.0679 -21.0679 -4.3442 -4.3442 -4.0345 -4.0345 2.6762 2.6762 4.3107 4.3107 4.9197 4.9197 5.0265 5.0265 5.4587 5.4587 5.6422 5.6422 9.0419 9.0419 11.2539 11.2539 11.5266 11.5266 13.2801 13.2801 k = 0.4425 0.3882-0.0000 ( 2508 PWs) bands (ev): -54.5153 -54.5153 -28.8278 -28.8278 -21.1794 -21.1794 -21.0698 -21.0698 -4.3338 -4.3338 -4.0365 -4.0365 2.7019 2.7019 4.2743 4.2743 4.9263 4.9263 5.0347 5.0347 5.4081 5.4081 5.6310 5.6310 9.1250 9.1250 11.2274 11.2274 11.4971 11.4971 13.2306 13.2306 k = 0.4368 0.3982-0.0000 ( 2510 PWs) bands (ev): -54.5152 -54.5152 -28.8280 -28.8280 -21.1785 -21.1785 -21.0718 -21.0718 -4.3227 -4.3227 -4.0386 -4.0386 2.7301 2.7301 4.2380 4.2380 4.9297 4.9297 5.0440 5.0440 5.3351 5.3351 5.6420 5.6420 9.2090 9.2090 11.1997 11.1997 11.4673 11.4673 13.1829 13.1829 k = 0.4310 0.4081-0.0000 ( 2508 PWs) bands (ev): -54.5152 -54.5152 -28.8282 -28.8282 -21.1775 -21.1775 -21.0739 -21.0739 -4.3110 -4.3110 -4.0409 -4.0409 2.7605 2.7605 4.2024 4.2024 4.9266 4.9266 5.0546 5.0546 5.2577 5.2577 5.6606 5.6606 9.2930 9.2930 11.1712 11.1712 11.4380 11.4380 13.1373 13.1373 k = 0.4253 0.4181-0.0000 ( 2510 PWs) bands (ev): -54.5151 -54.5151 -28.8284 -28.8284 -21.1764 -21.1764 -21.0761 -21.0761 -4.2987 -4.2987 -4.0432 -4.0432 2.7933 2.7933 4.1676 4.1676 4.9108 4.9108 5.0665 5.0665 5.1880 5.1880 5.6811 5.6811 9.3758 9.3758 11.1420 11.1420 11.4099 11.4099 13.0939 13.0939 k = 0.4195 0.4280-0.0000 ( 2502 PWs) bands (ev): -54.5151 -54.5151 -28.8285 -28.8285 -21.1753 -21.1753 -21.0783 -21.0783 -4.2859 -4.2859 -4.0457 -4.0457 2.8281 2.8281 4.1340 4.1340 4.8741 4.8741 5.0796 5.0796 5.1373 5.1373 5.7013 5.7013 9.4565 9.4565 11.1125 11.1125 11.3835 11.3835 13.0533 13.0533 k = 0.4138 0.4380-0.0000 ( 2502 PWs) bands (ev): -54.5150 -54.5150 -28.8288 -28.8288 -21.1742 -21.1742 -21.0806 -21.0806 -4.2729 -4.2729 -4.0482 -4.0482 2.8649 2.8649 4.1019 4.1019 4.8135 4.8135 5.0923 5.0923 5.1112 5.1112 5.7199 5.7199 9.5344 9.5344 11.0832 11.0832 11.3593 11.3593 13.0158 13.0158 k = 0.4080 0.4479-0.0000 ( 2506 PWs) bands (ev): -54.5150 -54.5150 -28.8290 -28.8290 -21.1732 -21.1732 -21.0830 -21.0830 -4.2597 -4.2597 -4.0508 -4.0508 2.9035 2.9035 4.0713 4.0713 4.7359 4.7359 5.0944 5.0944 5.1138 5.1138 5.7365 5.7365 9.6084 9.6084 11.0545 11.0545 11.3375 11.3375 12.9817 12.9817 k = 0.4023 0.4579-0.0000 ( 2500 PWs) bands (ev): -54.5150 -54.5150 -28.8292 -28.8292 -21.1720 -21.1720 -21.0852 -21.0852 -4.2465 -4.2465 -4.0533 -4.0533 2.9437 2.9437 4.0424 4.0424 4.6501 4.6501 5.0941 5.0941 5.1289 5.1289 5.7508 5.7508 9.6778 9.6778 11.0272 11.0272 11.3184 11.3184 12.9515 12.9515 k = 0.3966 0.4679-0.0000 ( 2496 PWs) bands (ev): -54.5149 -54.5149 -28.8294 -28.8294 -21.1709 -21.1709 -21.0875 -21.0875 -4.2335 -4.2335 -4.0557 -4.0557 2.9854 2.9854 4.0153 4.0153 4.5613 4.5613 5.0977 5.0977 5.1453 5.1453 5.7626 5.7626 9.7419 9.7419 11.0021 11.0021 11.3017 11.3017 12.9256 12.9256 k = 0.3908 0.4778-0.0000 ( 2500 PWs) bands (ev): -54.5149 -54.5149 -28.8297 -28.8297 -21.1699 -21.1699 -21.0898 -21.0898 -4.2209 -4.2209 -4.0580 -4.0580 3.0282 3.0282 3.9902 3.9902 4.4725 4.4725 5.1037 5.1037 5.1619 5.1619 5.7719 5.7719 9.7998 9.7998 10.9799 10.9799 11.2874 11.2874 12.9044 12.9044 k = 0.3851 0.4878-0.0000 ( 2496 PWs) bands (ev): -54.5148 -54.5148 -28.8298 -28.8298 -21.1688 -21.1688 -21.0918 -21.0918 -4.2088 -4.2088 -4.0601 -4.0601 3.0719 3.0719 3.9668 3.9668 4.3855 4.3855 5.1111 5.1111 5.1782 5.1782 5.7788 5.7788 9.8509 9.8509 10.9615 10.9615 11.2750 11.2750 12.8885 12.8885 k = 0.3793 0.4977-0.0000 ( 2496 PWs) bands (ev): -54.5148 -54.5148 -28.8300 -28.8300 -21.1679 -21.1679 -21.0938 -21.0938 -4.1975 -4.1975 -4.0619 -4.0619 3.1160 3.1160 3.9453 3.9453 4.3019 4.3019 5.1193 5.1193 5.1938 5.1938 5.7834 5.7834 9.8947 9.8947 10.9476 10.9476 11.2643 11.2643 12.8781 12.8781 k = 0.3736 0.5077-0.0000 ( 2486 PWs) bands (ev): -54.5147 -54.5147 -28.8301 -28.8301 -21.1670 -21.1670 -21.0956 -21.0956 -4.1871 -4.1871 -4.0633 -4.0633 3.1601 3.1601 3.9254 3.9254 4.2230 4.2230 5.1279 5.1279 5.2084 5.2084 5.7859 5.7859 9.9310 9.9310 10.9385 10.9385 11.2548 11.2548 12.8736 12.8736 k = 0.3678 0.5176-0.0000 ( 2490 PWs) bands (ev): -54.5147 -54.5147 -28.8303 -28.8303 -21.1662 -21.1662 -21.0973 -21.0973 -4.1780 -4.1780 -4.0642 -4.0642 3.2034 3.2034 3.9067 3.9067 4.1502 4.1502 5.1366 5.1366 5.2215 5.2215 5.7867 5.7867 9.9599 9.9599 10.9340 10.9340 11.2464 11.2464 12.8754 12.8754 k = 0.3621 0.5276-0.0000 ( 2490 PWs) bands (ev): -54.5147 -54.5147 -28.8305 -28.8305 -21.1656 -21.1656 -21.0987 -21.0987 -4.1703 -4.1703 -4.0647 -4.0647 3.2451 3.2451 3.8886 3.8886 4.0855 4.0855 5.1450 5.1450 5.2330 5.2330 5.7860 5.7860 9.9817 9.9817 10.9338 10.9338 11.2388 11.2388 12.8835 12.8835 k = 0.3563 0.5375-0.0000 ( 2490 PWs) bands (ev): -54.5147 -54.5147 -28.8306 -28.8306 -21.1651 -21.1651 -21.0999 -21.0999 -4.1640 -4.1640 -4.0647 -4.0647 3.2837 3.2837 3.8702 3.8702 4.0314 4.0314 5.1529 5.1529 5.2426 5.2426 5.7843 5.7843 9.9973 9.9973 10.9370 10.9370 11.2319 11.2319 12.8979 12.8979 k = 0.3506 0.5475-0.0000 ( 2492 PWs) bands (ev): -54.5146 -54.5146 -28.8307 -28.8307 -21.1647 -21.1647 -21.1008 -21.1008 -4.1594 -4.1594 -4.0643 -4.0643 3.3174 3.3174 3.8511 3.8511 3.9902 3.9902 5.1599 5.1599 5.2501 5.2501 5.7821 5.7821 10.0077 10.0077 10.9421 10.9421 11.2258 11.2258 12.9181 12.9181 k = 0.3448 0.5574-0.0000 ( 2496 PWs) bands (ev): -54.5146 -54.5146 -28.8308 -28.8308 -21.1645 -21.1645 -21.1015 -21.1015 -4.1562 -4.1562 -4.0636 -4.0636 3.3439 3.3439 3.8328 3.8328 3.9631 3.9631 5.1655 5.1655 5.2554 5.2554 5.7798 5.7798 10.0139 10.0139 10.9476 10.9476 11.2210 11.2210 12.9428 12.9428 k = 0.3391 0.5674-0.0000 ( 2496 PWs) bands (ev): -54.5146 -54.5146 -28.8309 -28.8309 -21.1643 -21.1643 -21.1019 -21.1019 -4.1545 -4.1545 -4.0630 -4.0630 3.3607 3.3607 3.8192 3.8192 3.9484 3.9484 5.1693 5.1693 5.2585 5.2585 5.7781 5.7781 10.0170 10.0170 10.9520 10.9520 11.2177 11.2177 12.9676 12.9676 k = 0.3333 0.5774-0.0000 ( 2496 PWs) bands (ev): -54.5146 -54.5146 -28.8309 -28.8309 -21.1643 -21.1643 -21.1020 -21.1020 -4.1539 -4.1539 -4.0628 -4.0628 3.3663 3.3663 3.8143 3.8143 3.9439 3.9439 5.1706 5.1706 5.2595 5.2595 5.7774 5.7774 10.0179 10.0179 10.9537 10.9537 11.2165 11.2165 12.9803 12.9803 k = 0.3333 0.5774-0.0000 ( 2496 PWs) bands (ev): -54.5146 -54.5146 -28.8309 -28.8309 -21.1643 -21.1643 -21.1020 -21.1020 -4.1539 -4.1539 -4.0628 -4.0628 3.3663 3.3663 3.8143 3.8143 3.9439 3.9439 5.1706 5.1706 5.2595 5.2595 5.7774 5.7774 10.0179 10.0179 10.9537 10.9537 11.2165 11.2165 12.9803 12.9803 k = 0.3276 0.5674-0.0000 ( 2492 PWs) bands (ev): -54.5146 -54.5146 -28.8308 -28.8308 -21.1643 -21.1643 -21.1019 -21.1019 -4.1544 -4.1544 -4.0631 -4.0631 3.3613 3.3613 3.8189 3.8189 3.9482 3.9482 5.1691 5.1691 5.2586 5.2586 5.7782 5.7782 10.0172 10.0172 10.9517 10.9517 11.2178 11.2178 12.9665 12.9665 k = 0.3218 0.5574-0.0000 ( 2488 PWs) bands (ev): -54.5146 -54.5146 -28.8307 -28.8307 -21.1643 -21.1643 -21.1015 -21.1015 -4.1558 -4.1558 -4.0644 -4.0644 3.3480 3.3480 3.8306 3.8306 3.9609 3.9609 5.1639 5.1639 5.2561 5.2561 5.7812 5.7812 10.0155 10.0155 10.9453 10.9453 11.2217 11.2217 12.9364 12.9364 k = 0.3161 0.5475-0.0000 ( 2488 PWs) bands (ev): -54.5146 -54.5146 -28.8307 -28.8307 -21.1645 -21.1645 -21.1009 -21.1009 -4.1579 -4.1579 -4.0667 -4.0667 3.3300 3.3300 3.8458 3.8458 3.9824 3.9824 5.1548 5.1548 5.2523 5.2523 5.7867 5.7867 10.0128 10.0128 10.9346 10.9346 11.2283 11.2283 12.9023 12.9023 k = 0.3103 0.5375-0.0000 ( 2494 PWs) bands (ev): -54.5147 -54.5147 -28.8306 -28.8306 -21.1646 -21.1646 -21.1002 -21.1002 -4.1609 -4.1609 -4.0702 -4.0702 3.3104 3.3104 3.8615 3.8615 4.0121 4.0121 5.1413 5.1413 5.2475 5.2475 5.7951 5.7951 10.0094 10.0094 10.9198 10.9198 11.2372 11.2372 12.8686 12.8686 k = 0.3046 0.5276-0.0000 ( 2494 PWs) bands (ev): -54.5147 -54.5147 -28.8304 -28.8304 -21.1647 -21.1647 -21.0993 -21.0993 -4.1646 -4.1646 -4.0750 -4.0750 3.2914 3.2914 3.8768 3.8768 4.0484 4.0484 5.1236 5.1236 5.2419 5.2419 5.8066 5.8066 10.0049 10.0049 10.9015 10.9015 11.2485 11.2485 12.8368 12.8368 k = 0.2989 0.5176-0.0000 ( 2494 PWs) bands (ev): -54.5147 -54.5147 -28.8302 -28.8302 -21.1647 -21.1647 -21.0982 -21.0982 -4.1693 -4.1693 -4.0808 -4.0808 3.2748 3.2748 3.8917 3.8917 4.0895 4.0895 5.1018 5.1018 5.2358 5.2358 5.8214 5.8214 9.9990 9.9990 10.8802 10.8802 11.2620 11.2620 12.8071 12.8071 k = 0.2931 0.5077-0.0000 ( 2498 PWs) bands (ev): -54.5148 -54.5148 -28.8300 -28.8300 -21.1647 -21.1647 -21.0970 -21.0970 -4.1753 -4.1753 -4.0875 -4.0875 3.2616 3.2616 3.9064 3.9064 4.1333 4.1333 5.0762 5.0762 5.2294 5.2294 5.8394 5.8394 9.9915 9.9915 10.8565 10.8565 11.2779 11.2779 12.7793 12.7793 k = 0.2874 0.4977-0.0000 ( 2498 PWs) bands (ev): -54.5149 -54.5149 -28.8297 -28.8297 -21.1645 -21.1645 -21.0956 -21.0956 -4.1829 -4.1829 -4.0946 -4.0946 3.2526 3.2526 3.9213 3.9213 4.1784 4.1784 5.0472 5.0472 5.2230 5.2230 5.8606 5.8606 9.9818 9.9818 10.8307 10.8307 11.2965 11.2965 12.7530 12.7530 k = 0.2816 0.4878-0.0000 ( 2500 PWs) bands (ev): -54.5149 -54.5149 -28.8293 -28.8293 -21.1641 -21.1641 -21.0943 -21.0943 -4.1928 -4.1928 -4.1018 -4.1018 3.2482 3.2482 3.9365 3.9365 4.2234 4.2234 5.0155 5.0155 5.2171 5.2171 5.8850 5.8850 9.9697 9.9697 10.8032 10.8032 11.3179 11.3179 12.7277 12.7277 k = 0.2759 0.4778-0.0000 ( 2498 PWs) bands (ev): -54.5150 -54.5150 -28.8289 -28.8289 -21.1636 -21.1636 -21.0928 -21.0928 -4.2053 -4.2053 -4.1083 -4.1083 3.2490 3.2490 3.9520 3.9520 4.2673 4.2673 4.9816 4.9816 5.2122 5.2122 5.9123 5.9123 9.9550 9.9550 10.7744 10.7744 11.3424 11.3424 12.7028 12.7028 k = 0.2701 0.4679-0.0000 ( 2496 PWs) bands (ev): -54.5151 -54.5151 -28.8284 -28.8284 -21.1629 -21.1629 -21.0912 -21.0912 -4.2209 -4.2209 -4.1139 -4.1139 3.2549 3.2549 3.9676 3.9676 4.3087 4.3087 4.9466 4.9466 5.2088 5.2088 5.9423 5.9423 9.9376 9.9376 10.7443 10.7443 11.3698 11.3698 12.6775 12.6775 k = 0.2644 0.4579-0.0000 ( 2500 PWs) bands (ev): -54.5152 -54.5152 -28.8280 -28.8280 -21.1620 -21.1620 -21.0897 -21.0897 -4.2397 -4.2397 -4.1183 -4.1183 3.2662 3.2662 3.9832 3.9832 4.3462 4.3462 4.9117 4.9117 5.2073 5.2073 5.9750 5.9750 9.9176 9.9176 10.7133 10.7133 11.4000 11.4000 12.6513 12.6513 k = 0.2586 0.4479-0.0000 ( 2506 PWs) bands (ev): -54.5153 -54.5153 -28.8275 -28.8275 -21.1610 -21.1610 -21.0881 -21.0881 -4.2617 -4.2617 -4.1216 -4.1216 3.2830 3.2830 3.9987 3.9987 4.3779 4.3779 4.8788 4.8788 5.2082 5.2082 6.0101 6.0101 9.8951 9.8951 10.6813 10.6813 11.4324 11.4324 12.6237 12.6237 k = 0.2529 0.4380-0.0000 ( 2502 PWs) bands (ev): -54.5154 -54.5154 -28.8269 -28.8269 -21.1598 -21.1598 -21.0864 -21.0864 -4.2866 -4.2866 -4.1238 -4.1238 3.3051 3.3051 4.0138 4.0138 4.4014 4.4014 4.8504 4.8504 5.2120 5.2120 6.0474 6.0474 9.8707 9.8707 10.6487 10.6487 11.4665 11.4665 12.5942 12.5942 k = 0.2471 0.4280-0.0000 ( 2510 PWs) bands (ev): -54.5155 -54.5155 -28.8263 -28.8263 -21.1583 -21.1583 -21.0848 -21.0848 -4.3143 -4.3143 -4.1251 -4.1251 3.3326 3.3326 4.0283 4.0283 4.4137 4.4137 4.8294 4.8294 5.2191 5.2191 6.0869 6.0869 9.8446 9.8446 10.6154 10.6154 11.5012 11.5012 12.5626 12.5626 k = 0.2414 0.4181-0.0000 ( 2518 PWs) bands (ev): -54.5157 -54.5157 -28.8257 -28.8257 -21.1567 -21.1567 -21.0832 -21.0832 -4.3444 -4.3444 -4.1256 -4.1256 3.3652 3.3652 4.0421 4.0421 4.4125 4.4125 4.8184 4.8184 5.2298 5.2298 6.1283 6.1283 9.8174 9.8174 10.5815 10.5815 11.5355 11.5355 12.5292 12.5292 k = 0.2356 0.4081-0.0000 ( 2514 PWs) bands (ev): -54.5158 -54.5158 -28.8250 -28.8250 -21.1548 -21.1548 -21.0815 -21.0815 -4.3769 -4.3769 -4.1255 -4.1255 3.4028 3.4028 4.0550 4.0550 4.3972 4.3972 4.8182 4.8182 5.2445 5.2445 6.1715 6.1715 9.7898 9.7898 10.5473 10.5473 11.5679 11.5679 12.4941 12.4941 k = 0.2299 0.3982-0.0000 ( 2522 PWs) bands (ev): -54.5159 -54.5159 -28.8243 -28.8243 -21.1528 -21.1528 -21.0799 -21.0799 -4.4114 -4.4114 -4.1247 -4.1247 3.4450 3.4450 4.0669 4.0669 4.3695 4.3695 4.8272 4.8272 5.2632 5.2632 6.2164 6.2164 9.7620 9.7620 10.5126 10.5126 11.5971 11.5971 12.4582 12.4582 k = 0.2241 0.3882-0.0000 ( 2517 PWs) bands (ev): -54.5161 -54.5161 -28.8234 -28.8234 -21.1504 -21.1504 -21.0782 -21.0782 -4.4478 -4.4478 -4.1234 -4.1234 3.4916 3.4916 4.0776 4.0776 4.3329 4.3329 4.8428 4.8428 5.2861 5.2861 6.2628 6.2628 9.7348 9.7348 10.4778 10.4778 11.6214 11.6214 12.4226 12.4226 k = 0.2184 0.3783-0.0000 ( 2525 PWs) bands (ev): -54.5163 -54.5163 -28.8226 -28.8226 -21.1480 -21.1480 -21.0766 -21.0766 -4.4859 -4.4859 -4.1216 -4.1216 3.5417 3.5417 4.0868 4.0868 4.2909 4.2909 4.8623 4.8623 5.3132 5.3132 6.3107 6.3107 9.7085 9.7085 10.4427 10.4427 11.6389 11.6389 12.3886 12.3886 k = 0.2126 0.3683-0.0000 ( 2521 PWs) bands (ev): -54.5164 -54.5164 -28.8217 -28.8217 -21.1453 -21.1453 -21.0748 -21.0748 -4.5255 -4.5255 -4.1194 -4.1194 3.5943 3.5943 4.0942 4.0942 4.2472 4.2472 4.8835 4.8835 5.3445 5.3445 6.3597 6.3597 9.6835 9.6835 10.4075 10.4075 11.6478 11.6478 12.3580 12.3580 k = 0.2069 0.3584-0.0000 ( 2525 PWs) bands (ev): -54.5166 -54.5166 -28.8208 -28.8208 -21.1425 -21.1425 -21.0731 -21.0731 -4.5665 -4.5665 -4.1168 -4.1168 3.6477 3.6477 4.0981 4.0981 4.2066 4.2066 4.9050 4.9050 5.3799 5.3799 6.4098 6.4098 9.6602 9.6602 10.3723 10.3723 11.6466 11.6466 12.3324 12.3324 k = 0.2011 0.3484-0.0000 ( 2525 PWs) bands (ev): -54.5168 -54.5168 -28.8199 -28.8199 -21.1396 -21.1396 -21.0714 -21.0714 -4.6086 -4.6086 -4.1137 -4.1137 3.6985 3.6985 4.0958 4.0958 4.1763 4.1763 4.9259 4.9259 5.4193 5.4193 6.4609 6.4609 9.6389 9.6389 10.3371 10.3371 11.6341 11.6341 12.3132 12.3132 k = 0.1954 0.3384-0.0000 ( 2525 PWs) bands (ev): -54.5170 -54.5170 -28.8189 -28.8189 -21.1365 -21.1365 -21.0696 -21.0696 -4.6516 -4.6516 -4.1104 -4.1104 3.7403 3.7403 4.0877 4.0877 4.1633 4.1633 4.9457 4.9457 5.4624 5.4624 6.5127 6.5127 9.6198 9.6198 10.3019 10.3019 11.6101 11.6101 12.3009 12.3009 k = 0.1897 0.3285-0.0000 ( 2525 PWs) bands (ev): -54.5172 -54.5172 -28.8179 -28.8179 -21.1333 -21.1333 -21.0678 -21.0678 -4.6955 -4.6955 -4.1067 -4.1067 3.7627 3.7627 4.0878 4.0878 4.1640 4.1640 4.9641 4.9641 5.5091 5.5091 6.5652 6.5652 9.6030 9.6030 10.2669 10.2669 11.5753 11.5753 12.2953 12.2953 k = 0.1839 0.3185-0.0000 ( 2525 PWs) bands (ev): -54.5174 -54.5174 -28.8168 -28.8168 -21.1300 -21.1300 -21.0660 -21.0660 -4.7399 -4.7399 -4.1027 -4.1027 3.7580 3.7580 4.1091 4.1091 4.1737 4.1737 4.9808 4.9808 5.5592 5.5592 6.6180 6.6180 9.5886 9.5886 10.2320 10.2320 11.5313 11.5313 12.2954 12.2954 k = 0.1782 0.3086-0.0000 ( 2521 PWs) bands (ev): -54.5176 -54.5176 -28.8157 -28.8157 -21.1267 -21.1267 -21.0640 -21.0640 -4.7848 -4.7848 -4.0985 -4.0985 3.7295 3.7295 4.1419 4.1419 4.1990 4.1990 4.9960 4.9960 5.6124 5.6124 6.6711 6.6711 9.5767 9.5767 10.1973 10.1973 11.4796 11.4796 12.3001 12.3001 k = 0.1724 0.2986-0.0000 ( 2523 PWs) bands (ev): -54.5178 -54.5178 -28.8146 -28.8146 -21.1234 -21.1234 -21.0620 -21.0620 -4.8300 -4.8300 -4.0940 -4.0940 3.6865 3.6865 4.1639 4.1639 4.2529 4.2529 5.0100 5.0100 5.6685 5.6685 6.7241 6.7241 9.5672 9.5672 10.1629 10.1629 11.4221 11.4221 12.3083 12.3083 k = 0.1667 0.2887-0.0000 ( 2523 PWs) bands (ev): -54.5180 -54.5180 -28.8135 -28.8135 -21.1200 -21.1200 -21.0599 -21.0599 -4.8753 -4.8753 -4.0894 -4.0894 3.6357 3.6357 4.1780 4.1780 4.3252 4.3252 5.0232 5.0232 5.7272 5.7272 6.7770 6.7770 9.5601 9.5601 10.1287 10.1287 11.3603 11.3603 12.3191 12.3191 k = 0.1609 0.2787-0.0000 ( 2519 PWs) bands (ev): -54.5182 -54.5182 -28.8124 -28.8124 -21.1168 -21.1168 -21.0577 -21.0577 -4.9206 -4.9206 -4.0845 -4.0845 3.5810 3.5810 4.1906 4.1906 4.4054 4.4054 5.0366 5.0366 5.7883 5.7883 6.8294 6.8294 9.5551 9.5551 10.0948 10.0948 11.2954 11.2954 12.3316 12.3316 k = 0.1552 0.2688-0.0000 ( 2521 PWs) bands (ev): -54.5184 -54.5184 -28.8113 -28.8113 -21.1137 -21.1137 -21.0553 -21.0553 -4.9657 -4.9657 -4.0796 -4.0796 3.5243 3.5243 4.2034 4.2034 4.4883 4.4883 5.0514 5.0514 5.8515 5.8515 6.8810 6.8810 9.5522 9.5522 10.0612 10.0612 11.2284 11.2284 12.3455 12.3455 k = 0.1494 0.2588-0.0000 ( 2519 PWs) bands (ev): -54.5186 -54.5186 -28.8101 -28.8101 -21.1106 -21.1106 -21.0527 -21.0527 -5.0105 -5.0105 -4.0745 -4.0745 3.4670 3.4670 4.2170 4.2170 4.5704 4.5704 5.0700 5.0700 5.9166 5.9166 6.9317 6.9317 9.5511 9.5511 10.0279 10.0279 11.1602 11.1602 12.3604 12.3604 k = 0.1437 0.2489-0.0000 ( 2523 PWs) bands (ev): -54.5188 -54.5188 -28.8091 -28.8091 -21.1078 -21.1078 -21.0501 -21.0501 -5.0547 -5.0547 -4.0693 -4.0693 3.4096 3.4096 4.2316 4.2316 4.6472 4.6472 5.0958 5.0958 5.9834 5.9834 6.9812 6.9812 9.5516 9.5516 9.9949 9.9949 11.0913 11.0913 12.3760 12.3760 k = 0.1379 0.2389-0.0000 ( 2523 PWs) bands (ev): -54.5190 -54.5190 -28.8079 -28.8079 -21.1051 -21.1051 -21.0472 -21.0472 -5.0984 -5.0984 -4.0640 -4.0640 3.3528 3.3528 4.2473 4.2473 4.7137 4.7137 5.1335 5.1335 6.0516 6.0516 7.0292 7.0292 9.5534 9.5534 9.9623 9.9623 11.0223 11.0223 12.3923 12.3923 k = 0.1322 0.2289-0.0000 ( 2515 PWs) bands (ev): -54.5192 -54.5192 -28.8068 -28.8068 -21.1025 -21.1025 -21.0442 -21.0442 -5.1413 -5.1413 -4.0587 -4.0587 3.2968 3.2968 4.2643 4.2643 4.7652 4.7652 5.1873 5.1873 6.1209 6.1209 7.0754 7.0754 9.5562 9.5562 9.9301 9.9301 10.9536 10.9536 12.4090 12.4090 k = 0.1264 0.2190-0.0000 ( 2507 PWs) bands (ev): -54.5194 -54.5194 -28.8056 -28.8056 -21.1001 -21.1001 -21.0409 -21.0409 -5.1833 -5.1833 -4.0535 -4.0535 3.2420 3.2420 4.2824 4.2824 4.8002 4.8002 5.2589 5.2589 6.1910 6.1910 7.1195 7.1195 9.5596 9.5596 9.8983 9.8983 10.8854 10.8854 12.4261 12.4261 k = 0.1207 0.2090-0.0000 ( 2507 PWs) bands (ev): -54.5196 -54.5196 -28.8045 -28.8045 -21.0980 -21.0980 -21.0376 -21.0376 -5.2244 -5.2244 -4.0482 -4.0482 3.1885 3.1885 4.3017 4.3017 4.8208 4.8208 5.3457 5.3457 6.2618 6.2618 7.1613 7.1613 9.5634 9.5634 9.8669 9.8669 10.8181 10.8181 12.4434 12.4434 k = 0.1149 0.1991-0.0000 ( 2519 PWs) bands (ev): -54.5199 -54.5199 -28.8035 -28.8035 -21.0962 -21.0962 -21.0343 -21.0343 -5.2643 -5.2643 -4.0430 -4.0430 3.1366 3.1366 4.3222 4.3222 4.8308 4.8308 5.4439 5.4439 6.3329 6.3329 7.2006 7.2006 9.5671 9.5671 9.8360 9.8360 10.7519 10.7519 12.4605 12.4605 k = 0.1092 0.1891-0.0000 ( 2519 PWs) bands (ev): -54.5201 -54.5201 -28.8025 -28.8025 -21.0945 -21.0945 -21.0308 -21.0308 -5.3029 -5.3029 -4.0379 -4.0379 3.0863 3.0863 4.3438 4.3438 4.8336 4.8336 5.5499 5.5499 6.4040 6.4040 7.2370 7.2370 9.5704 9.5704 9.8057 9.8057 10.6868 10.6868 12.4769 12.4769 k = 0.1034 0.1792-0.0000 ( 2513 PWs) bands (ev): -54.5202 -54.5202 -28.8014 -28.8014 -21.0929 -21.0929 -21.0271 -21.0271 -5.3403 -5.3403 -4.0328 -4.0328 3.0380 3.0380 4.3664 4.3664 4.8315 4.8315 5.6613 5.6613 6.4748 6.4748 7.2704 7.2704 9.5728 9.5728 9.7763 9.7763 10.6232 10.6232 12.4911 12.4911 k = 0.0977 0.1692-0.0000 ( 2525 PWs) bands (ev): -54.5204 -54.5204 -28.8006 -28.8006 -21.0917 -21.0917 -21.0236 -21.0236 -5.3762 -5.3762 -4.0279 -4.0279 2.9916 2.9916 4.3899 4.3899 4.8263 4.8263 5.7761 5.7761 6.5451 6.5451 7.3006 7.3006 9.5738 9.5738 9.7478 9.7478 10.5612 10.5612 12.4975 12.4975 k = 0.0920 0.1593-0.0000 ( 2525 PWs) bands (ev): -54.5206 -54.5206 -28.7996 -28.7996 -21.0905 -21.0905 -21.0200 -21.0200 -5.4105 -5.4105 -4.0232 -4.0232 2.9473 2.9473 4.4140 4.4140 4.8188 4.8188 5.8932 5.8932 6.6145 6.6145 7.3275 7.3275 9.5728 9.5728 9.7207 9.7207 10.5010 10.5010 12.4841 12.4841 k = 0.0862 0.1493-0.0000 ( 2539 PWs) bands (ev): -54.5208 -54.5208 -28.7989 -28.7989 -21.0896 -21.0896 -21.0165 -21.0165 -5.4432 -5.4432 -4.0186 -4.0186 2.9053 2.9053 4.4387 4.4387 4.8099 4.8099 6.0114 6.0114 6.6827 6.6827 7.3510 7.3510 9.5692 9.5692 9.6954 9.6954 10.4427 10.4427 12.4562 12.4562 k = 0.0805 0.1394-0.0000 ( 2535 PWs) bands (ev): -54.5210 -54.5210 -28.7979 -28.7979 -21.0887 -21.0887 -21.0129 -21.0129 -5.4743 -5.4743 -4.0142 -4.0142 2.8655 2.8655 4.4638 4.4638 4.8002 4.8002 6.1299 6.1299 6.7493 6.7493 7.3712 7.3712 9.5623 9.5623 9.6722 9.6722 10.3868 10.3868 12.4293 12.4293 k = 0.0747 0.1294-0.0000 ( 2543 PWs) bands (ev): -54.5211 -54.5211 -28.7972 -28.7972 -21.0880 -21.0880 -21.0096 -21.0096 -5.5035 -5.5035 -4.0101 -4.0101 2.8281 2.8281 4.4890 4.4890 4.7900 4.7900 6.2479 6.2479 6.8140 6.8140 7.3880 7.3880 9.5518 9.5518 9.6513 9.6513 10.3334 10.3334 12.4086 12.4086 k = 0.0690 0.1195-0.0000 ( 2543 PWs) bands (ev): -54.5213 -54.5213 -28.7964 -28.7964 -21.0873 -21.0873 -21.0063 -21.0063 -5.5309 -5.5309 -4.0061 -4.0061 2.7932 2.7932 4.5140 4.5140 4.7796 4.7796 6.3644 6.3644 6.8766 6.8766 7.4017 7.4017 9.5379 9.5379 9.6321 9.6321 10.2831 10.2831 12.3958 12.3958 k = 0.0632 0.1095-0.0000 ( 2543 PWs) bands (ev): -54.5214 -54.5214 -28.7957 -28.7957 -21.0867 -21.0867 -21.0032 -21.0032 -5.5563 -5.5563 -4.0024 -4.0024 2.7608 2.7608 4.5386 4.5386 4.7694 4.7694 6.4786 6.4786 6.9365 6.9365 7.4124 7.4124 9.5213 9.5213 9.6138 9.6138 10.2362 10.2362 12.3910 12.3910 k = 0.0575 0.0995-0.0000 ( 2539 PWs) bands (ev): -54.5215 -54.5215 -28.7950 -28.7950 -21.0862 -21.0862 -21.0002 -21.0002 -5.5797 -5.5797 -3.9990 -3.9990 2.7311 2.7311 4.5625 4.5625 4.7596 4.7596 6.5892 6.5892 6.9936 6.9936 7.4205 7.4205 9.5033 9.5033 9.5950 9.5950 10.1933 10.1933 12.3943 12.3943 k = 0.0517 0.0896-0.0000 ( 2547 PWs) bands (ev): -54.5217 -54.5217 -28.7945 -28.7945 -21.0858 -21.0858 -20.9975 -20.9975 -5.6011 -5.6011 -3.9959 -3.9959 2.7039 2.7039 4.5853 4.5853 4.7503 4.7503 6.6952 6.6952 7.0477 7.0477 7.4262 7.4262 9.4848 9.4848 9.5748 9.5748 10.1548 10.1548 12.4055 12.4055 k = 0.0460 0.0796-0.0000 ( 2547 PWs) bands (ev): -54.5218 -54.5218 -28.7939 -28.7939 -21.0854 -21.0854 -20.9951 -20.9951 -5.6204 -5.6204 -3.9930 -3.9930 2.6795 2.6795 4.6068 4.6068 4.7418 4.7418 6.7950 6.7950 7.0986 7.0986 7.4301 7.4301 9.4667 9.4667 9.5527 9.5527 10.1211 10.1211 12.4243 12.4243 k = 0.0402 0.0697-0.0000 ( 2547 PWs) bands (ev): -54.5219 -54.5219 -28.7934 -28.7934 -21.0851 -21.0851 -20.9928 -20.9928 -5.6375 -5.6375 -3.9905 -3.9905 2.6579 2.6579 4.6264 4.6264 4.7342 4.7342 6.8869 6.8869 7.1464 7.1464 7.4325 7.4325 9.4493 9.4493 9.5289 9.5289 10.0922 10.0922 12.4503 12.4503 k = 0.0345 0.0597-0.0000 ( 2547 PWs) bands (ev): -54.5220 -54.5220 -28.7930 -28.7930 -21.0849 -21.0849 -20.9908 -20.9908 -5.6524 -5.6524 -3.9883 -3.9883 2.6391 2.6391 4.6439 4.6439 4.7278 4.7278 6.9688 6.9688 7.1912 7.1912 7.4339 7.4339 9.4331 9.4331 9.5041 9.5041 10.0683 10.0683 12.4827 12.4827 k = 0.0287 0.0498-0.0000 ( 2547 PWs) bands (ev): -54.5220 -54.5220 -28.7926 -28.7926 -21.0847 -21.0847 -20.9891 -20.9891 -5.6651 -5.6651 -3.9864 -3.9864 2.6231 2.6231 4.6587 4.6587 4.7227 4.7227 7.0384 7.0384 7.2333 7.2333 7.4347 7.4347 9.4180 9.4180 9.4799 9.4799 10.0490 10.0490 12.5208 12.5208 k = 0.0230 0.0398-0.0000 ( 2543 PWs) bands (ev): -54.5221 -54.5221 -28.7923 -28.7923 -21.0845 -21.0845 -20.9877 -20.9877 -5.6755 -5.6755 -3.9848 -3.9848 2.6099 2.6099 4.6703 4.6703 4.7194 4.7194 7.0940 7.0940 7.2725 7.2725 7.4354 7.4354 9.4040 9.4040 9.4579 9.4579 10.0339 10.0339 12.5629 12.5629 k = 0.0172 0.0299-0.0000 ( 2543 PWs) bands (ev): -54.5221 -54.5221 -28.7920 -28.7920 -21.0844 -21.0844 -20.9866 -20.9866 -5.6836 -5.6836 -3.9836 -3.9836 2.5997 2.5997 4.6784 4.6784 4.7181 4.7181 7.1353 7.1353 7.3072 7.3072 7.4360 7.4360 9.3912 9.3912 9.4400 9.4400 10.0228 10.0228 12.6065 12.6065 k = 0.0115 0.0199-0.0000 ( 2539 PWs) bands (ev): -54.5222 -54.5222 -28.7918 -28.7918 -21.0843 -21.0843 -20.9857 -20.9857 -5.6894 -5.6894 -3.9827 -3.9827 2.5924 2.5924 4.6830 4.6830 4.7184 4.7184 7.1630 7.1630 7.3349 7.3349 7.4368 7.4368 9.3803 9.3803 9.4274 9.4274 10.0151 10.0151 12.6461 12.6461 k = 0.0057 0.0100-0.0000 ( 2539 PWs) bands (ev): -54.5222 -54.5222 -28.7917 -28.7917 -21.0843 -21.0843 -20.9852 -20.9852 -5.6929 -5.6929 -3.9822 -3.9822 2.5880 2.5880 4.6851 4.6851 4.7193 4.7193 7.1787 7.1787 7.3527 7.3527 7.4374 7.4374 9.3728 9.3728 9.4201 9.4201 10.0107 10.0107 12.6725 12.6725 k = 0.0000 0.0000 0.0000 ( 2539 PWs) bands (ev): -54.5222 -54.5222 -28.7917 -28.7917 -21.0842 -21.0842 -20.9851 -20.9851 -5.6941 -5.6941 -3.9820 -3.9820 2.5865 2.5865 4.6857 4.6857 4.7197 4.7197 7.1839 7.1839 7.3588 7.3588 7.4377 7.4377 9.3701 9.3701 9.4177 9.4177 10.0092 10.0092 12.6809 12.6809 k = 0.0000 0.0000 0.0000 ( 2539 PWs) bands (ev): -54.5222 -54.5222 -28.7917 -28.7917 -21.0842 -21.0842 -20.9851 -20.9851 -5.6941 -5.6941 -3.9820 -3.9820 2.5865 2.5865 4.6857 4.6857 4.7197 4.7197 7.1839 7.1839 7.3588 7.3588 7.4377 7.4377 9.3701 9.3701 9.4177 9.4177 10.0092 10.0092 12.6809 12.6809 k = 0.0000 0.0000 0.0115 ( 2539 PWs) bands (ev): -54.5222 -54.5222 -28.7917 -28.7917 -21.0842 -21.0842 -20.9851 -20.9851 -5.6934 -5.6934 -3.9834 -3.9834 2.5894 2.5894 4.6859 4.6859 4.7199 4.7199 7.1827 7.1827 7.3583 7.3583 7.4317 7.4317 9.3702 9.3702 9.4175 9.4175 10.0111 10.0111 12.6824 12.6824 k = 0.0000 0.0000 0.0229 ( 2539 PWs) bands (ev): -54.5222 -54.5222 -28.7917 -28.7917 -21.0842 -21.0842 -20.9851 -20.9851 -5.6912 -5.6912 -3.9874 -3.9874 2.5980 2.5980 4.6863 4.6863 4.7203 4.7203 7.1790 7.1790 7.3567 7.3567 7.4141 7.4141 9.3705 9.3705 9.4170 9.4170 10.0168 10.0168 12.6869 12.6869 k = 0.0000 0.0000 0.0344 ( 2533 PWs) bands (ev): -54.5222 -54.5222 -28.7916 -28.7916 -21.0842 -21.0842 -20.9851 -20.9851 -5.6877 -5.6877 -3.9940 -3.9940 2.6122 2.6122 4.6871 4.6871 4.7211 4.7211 7.1723 7.1723 7.3540 7.3540 7.3858 7.3858 9.3709 9.3709 9.4162 9.4162 10.0260 10.0260 12.6943 12.6943 k = 0.0000 0.0000 0.0459 ( 2533 PWs) bands (ev): -54.5222 -54.5222 -28.7916 -28.7916 -21.0842 -21.0842 -20.9851 -20.9851 -5.6828 -5.6828 -4.0031 -4.0031 2.6320 2.6320 4.6881 4.6881 4.7222 4.7222 7.1612 7.1612 7.3491 7.3491 7.3503 7.3503 9.3713 9.3713 9.4150 9.4150 10.0382 10.0382 12.7046 12.7046 k = 0.0000 0.0000 0.0573 ( 2521 PWs) bands (ev): -54.5222 -54.5222 -28.7915 -28.7915 -21.0840 -21.0840 -20.9850 -20.9850 -5.6765 -5.6765 -4.0147 -4.0147 2.6573 2.6573 4.6895 4.6895 4.7236 4.7236 7.1430 7.1430 7.3077 7.3077 7.3456 7.3456 9.3717 9.3717 9.4135 9.4135 10.0528 10.0528 12.7176 12.7176 k = 0.0000 0.0000 0.0688 ( 2521 PWs) bands (ev): -54.5222 -54.5222 -28.7915 -28.7915 -21.0841 -21.0841 -20.9850 -20.9850 -5.6689 -5.6689 -4.0286 -4.0286 2.6879 2.6879 4.6911 4.6911 4.7252 4.7252 7.1124 7.1124 7.2679 7.2679 7.3400 7.3400 9.3719 9.3719 9.4118 9.4118 10.0691 10.0691 12.7332 12.7332 k = 0.0000 0.0000 0.0803 ( 2521 PWs) bands (ev): -54.5222 -54.5222 -28.7915 -28.7915 -21.0841 -21.0841 -20.9850 -20.9850 -5.6600 -5.6600 -4.0447 -4.0447 2.7237 2.7237 4.6929 4.6929 4.7272 4.7272 7.0643 7.0643 7.2361 7.2361 7.3336 7.3336 9.3719 9.3719 9.4097 9.4097 10.0865 10.0865 12.7513 12.7513 k = 0.0000 0.0000 0.0918 ( 2509 PWs) bands (ev): -54.5221 -54.5221 -28.7913 -28.7913 -21.0839 -21.0839 -20.9850 -20.9850 -5.6499 -5.6499 -4.0628 -4.0628 2.7644 2.7644 4.6950 4.6950 4.7293 4.7293 6.9989 6.9989 7.2135 7.2135 7.3265 7.3265 9.3716 9.3716 9.4075 9.4075 10.1044 10.1044 12.7716 12.7716 k = 0.0000 0.0000 0.1032 ( 2491 PWs) bands (ev): -54.5221 -54.5221 -28.7912 -28.7912 -21.0838 -21.0838 -20.9849 -20.9849 -5.6386 -5.6386 -4.0827 -4.0827 2.8099 2.8099 4.6973 4.6973 4.7316 4.7316 6.9204 6.9204 7.1969 7.1969 7.3188 7.3188 9.3711 9.3711 9.4050 9.4050 10.1224 10.1224 12.7939 12.7939 k = 0.0000 0.0000 0.1147 ( 2503 PWs) bands (ev): -54.5221 -54.5221 -28.7913 -28.7913 -21.0839 -21.0839 -20.9850 -20.9850 -5.6263 -5.6263 -4.1043 -4.1043 2.8598 2.8598 4.6997 4.6997 4.7341 4.7341 6.8330 6.8330 7.1834 7.1834 7.3105 7.3105 9.3703 9.3703 9.4023 9.4023 10.1398 10.1398 12.8180 12.8180 k = 0.0000 0.0000 0.1262 ( 2502 PWs) bands (ev): -54.5221 -54.5221 -28.7913 -28.7913 -21.0839 -21.0839 -20.9850 -20.9850 -5.6131 -5.6131 -4.1272 -4.1272 2.9139 2.9139 4.7023 4.7023 4.7368 4.7368 6.7392 6.7392 7.1716 7.1716 7.3018 7.3018 9.3692 9.3692 9.3995 9.3995 10.1565 10.1565 12.8435 12.8435 k = 0.0000 0.0000 0.1376 ( 2502 PWs) bands (ev): -54.5221 -54.5221 -28.7913 -28.7913 -21.0839 -21.0839 -20.9850 -20.9850 -5.5989 -5.5989 -4.1512 -4.1512 2.9719 2.9719 4.7050 4.7050 4.7395 4.7395 6.6409 6.6409 7.1606 7.1606 7.2929 7.2929 9.3679 9.3679 9.3966 9.3966 10.1721 10.1721 12.8703 12.8703 k = 0.0000 0.0000 0.1491 ( 2502 PWs) bands (ev): -54.5221 -54.5221 -28.7913 -28.7913 -21.0840 -21.0840 -20.9850 -20.9850 -5.5841 -5.5841 -4.1761 -4.1761 3.0333 3.0333 4.7077 4.7077 4.7423 4.7423 6.5394 6.5394 7.1502 7.1502 7.2837 7.2837 9.3664 9.3664 9.3937 9.3937 10.1865 10.1865 12.8978 12.8978 k = 0.0000 0.0000 0.1606 ( 2508 PWs) bands (ev): -54.5221 -54.5221 -28.7914 -28.7914 -21.0841 -21.0841 -20.9850 -20.9850 -5.5687 -5.5687 -4.2016 -4.2016 3.0977 3.0977 4.7105 4.7105 4.7452 4.7452 6.4359 6.4359 7.1403 7.1403 7.2746 7.2746 9.3647 9.3647 9.3907 9.3907 10.1997 10.1997 12.9259 12.9259 k = 0.0000 0.0000 0.1720 ( 2508 PWs) bands (ev): -54.5221 -54.5221 -28.7914 -28.7914 -21.0841 -21.0841 -20.9850 -20.9850 -5.5528 -5.5528 -4.2273 -4.2273 3.1647 3.1647 4.7132 4.7132 4.7480 4.7480 6.3314 6.3314 7.1307 7.1307 7.2655 7.2655 9.3630 9.3630 9.3878 9.3878 10.2116 10.2116 12.9541 12.9541 k = 0.0000 0.0000 0.1835 ( 2508 PWs) bands (ev): -54.5221 -54.5221 -28.7914 -28.7914 -21.0841 -21.0841 -20.9850 -20.9850 -5.5367 -5.5367 -4.2531 -4.2531 3.2337 3.2337 4.7160 4.7160 4.7509 4.7509 6.2269 6.2269 7.1215 7.1215 7.2567 7.2567 9.3612 9.3612 9.3849 9.3849 10.2222 10.2222 12.9820 12.9820 k = 0.0000 0.0000 0.1950 ( 2520 PWs) bands (ev): -54.5222 -54.5222 -28.7915 -28.7915 -21.0842 -21.0842 -20.9850 -20.9850 -5.5206 -5.5206 -4.2784 -4.2784 3.3040 3.3040 4.7186 4.7186 4.7536 4.7536 6.1233 6.1233 7.1129 7.1129 7.2481 7.2481 9.3594 9.3594 9.3821 9.3821 10.2315 10.2315 13.0093 13.0093 k = 0.0000 0.0000 0.2065 ( 2520 PWs) bands (ev): -54.5222 -54.5222 -28.7915 -28.7915 -21.0843 -21.0843 -20.9850 -20.9850 -5.5048 -5.5048 -4.3030 -4.3030 3.3749 3.3749 4.7211 4.7211 4.7562 4.7562 6.0218 6.0218 7.1047 7.1047 7.2400 7.2400 9.3576 9.3576 9.3794 9.3794 10.2396 10.2396 13.0355 13.0355 k = 0.0000 0.0000 0.2179 ( 2514 PWs) bands (ev): -54.5222 -54.5222 -28.7914 -28.7914 -21.0842 -21.0842 -20.9850 -20.9850 -5.4894 -5.4894 -4.3265 -4.3265 3.4454 3.4454 4.7235 4.7235 4.7586 4.7586 5.9234 5.9234 7.0972 7.0972 7.2325 7.2325 9.3559 9.3559 9.3769 9.3769 10.2466 10.2466 13.0603 13.0603 k = 0.0000 0.0000 0.2294 ( 2520 PWs) bands (ev): -54.5222 -54.5222 -28.7915 -28.7915 -21.0843 -21.0843 -20.9850 -20.9850 -5.4748 -5.4748 -4.3485 -4.3485 3.5144 3.5144 4.7257 4.7257 4.7609 4.7609 5.8294 5.8294 7.0903 7.0903 7.2255 7.2255 9.3542 9.3542 9.3746 9.3746 10.2526 10.2526 13.0833 13.0833 k = 0.0000 0.0000 0.2409 ( 2508 PWs) bands (ev): -54.5221 -54.5221 -28.7914 -28.7914 -21.0842 -21.0842 -20.9849 -20.9849 -5.4612 -5.4612 -4.3687 -4.3687 3.5806 3.5806 4.7276 4.7276 4.7629 4.7629 5.7415 5.7415 7.0842 7.0842 7.2194 7.2194 9.3528 9.3528 9.3726 9.3726 10.2576 10.2576 13.1041 13.1041 k = 0.0000 0.0000 0.2523 ( 2520 PWs) bands (ev): -54.5222 -54.5222 -28.7915 -28.7915 -21.0843 -21.0843 -20.9850 -20.9850 -5.4490 -5.4490 -4.3866 -4.3866 3.6422 3.6422 4.7293 4.7293 4.7647 4.7647 5.6612 5.6612 7.0789 7.0789 7.2140 7.2140 9.3515 9.3515 9.3708 9.3708 10.2617 10.2617 13.1224 13.1224 k = 0.0000 0.0000 0.2638 ( 2520 PWs) bands (ev): -54.5222 -54.5222 -28.7915 -28.7915 -21.0843 -21.0843 -20.9850 -20.9850 -5.4385 -5.4385 -4.4019 -4.4019 3.6973 3.6973 4.7308 4.7308 4.7662 4.7662 5.5907 5.5907 7.0745 7.0745 7.2095 7.2095 9.3504 9.3504 9.3693 9.3693 10.2650 10.2650 13.1378 13.1378 k = 0.0000 0.0000 0.2753 ( 2520 PWs) bands (ev): -54.5222 -54.5222 -28.7915 -28.7915 -21.0843 -21.0843 -20.9850 -20.9850 -5.4300 -5.4300 -4.4142 -4.4142 3.7437 3.7437 4.7319 4.7319 4.7674 4.7674 5.5323 5.5323 7.0710 7.0710 7.2059 7.2059 9.3495 9.3495 9.3682 9.3682 10.2675 10.2675 13.1501 13.1501 k = 0.0000 0.0000 0.2867 ( 2508 PWs) bands (ev): -54.5221 -54.5221 -28.7914 -28.7914 -21.0843 -21.0843 -20.9849 -20.9849 -5.4237 -5.4237 -4.4232 -4.4232 3.7792 3.7792 4.7327 4.7327 4.7682 4.7682 5.4882 5.4882 7.0685 7.0685 7.2033 7.2033 9.3488 9.3488 9.3673 9.3673 10.2692 10.2692 13.1590 13.1590 k = 0.0000 0.0000 0.2982 ( 2508 PWs) bands (ev): -54.5221 -54.5221 -28.7914 -28.7914 -21.0843 -21.0843 -20.9849 -20.9849 -5.4198 -5.4198 -4.4287 -4.4287 3.8014 3.8014 4.7332 4.7332 4.7687 4.7687 5.4608 5.4608 7.0670 7.0670 7.2018 7.2018 9.3484 9.3484 9.3668 9.3668 10.2703 10.2703 13.1644 13.1644 k = 0.0000 0.0000 0.3097 ( 2508 PWs) bands (ev): -54.5221 -54.5221 -28.7914 -28.7914 -21.0843 -21.0843 -20.9849 -20.9849 -5.4185 -5.4185 -4.4305 -4.4305 3.8091 3.8091 4.7334 4.7334 4.7689 4.7689 5.4514 5.4514 7.0664 7.0664 7.2013 7.2013 9.3483 9.3483 9.3666 9.3666 10.2706 10.2706 13.1663 13.1663 k = 0.0000 0.0000 0.3097 ( 2508 PWs) bands (ev): -54.5221 -54.5221 -28.7914 -28.7914 -21.0843 -21.0843 -20.9849 -20.9849 -5.4185 -5.4185 -4.4305 -4.4305 3.8091 3.8091 4.7334 4.7334 4.7689 4.7689 5.4514 5.4514 7.0664 7.0664 7.2013 7.2013 9.3483 9.3483 9.3666 9.3666 10.2706 10.2706 13.1663 13.1663 k = 0.0098 0.0057 0.3097 ( 2512 PWs) bands (ev): -54.5221 -54.5221 -28.7915 -28.7915 -21.0843 -21.0843 -20.9851 -20.9851 -5.4174 -5.4174 -4.4305 -4.4305 3.8100 3.8100 4.7290 4.7290 4.7655 4.7655 5.4600 5.4600 7.0614 7.0614 7.1960 7.1960 9.3509 9.3509 9.3690 9.3690 10.2738 10.2738 13.1569 13.1569 k = 0.0196 0.0113 0.3097 ( 2512 PWs) bands (ev): -54.5221 -54.5221 -28.7916 -28.7916 -21.0844 -21.0844 -20.9856 -20.9856 -5.4141 -5.4141 -4.4302 -4.4302 3.8129 3.8129 4.7118 4.7118 4.7607 4.7607 5.4844 5.4844 7.0458 7.0458 7.1807 7.1807 9.3572 9.3572 9.3772 9.3772 10.2833 10.2833 13.1261 13.1261 k = 0.0294 0.0170 0.3097 ( 2512 PWs) bands (ev): -54.5221 -54.5221 -28.7917 -28.7917 -21.0845 -21.0845 -20.9863 -20.9863 -5.4085 -5.4085 -4.4298 -4.4298 3.8177 3.8177 4.6791 4.6791 4.7599 4.7599 5.5218 5.5218 7.0188 7.0188 7.1574 7.1574 9.3641 9.3641 9.3934 9.3934 10.2992 10.2992 13.0773 13.0773 k = 0.0392 0.0226 0.3097 ( 2512 PWs) bands (ev): -54.5221 -54.5221 -28.7920 -28.7920 -21.0846 -21.0846 -20.9874 -20.9874 -5.4008 -5.4008 -4.4293 -4.4293 3.8243 3.8243 4.6354 4.6354 4.7620 4.7620 5.5686 5.5686 6.9794 6.9794 7.1286 7.1286 9.3701 9.3701 9.4178 9.4178 10.3215 10.3215 13.0186 13.0186 k = 0.0490 0.0283 0.3097 ( 2520 PWs) bands (ev): -54.5220 -54.5220 -28.7924 -28.7924 -21.0848 -21.0848 -20.9888 -20.9888 -5.3909 -5.3909 -4.4286 -4.4286 3.8327 3.8327 4.5847 4.5847 4.7660 4.7660 5.6219 5.6219 6.9271 6.9271 7.0965 7.0965 9.3748 9.3748 9.4493 9.4493 10.3500 10.3500 12.9550 12.9550 k = 0.0588 0.0340 0.3097 ( 2524 PWs) bands (ev): -54.5219 -54.5219 -28.7928 -28.7928 -21.0850 -21.0850 -20.9905 -20.9905 -5.3788 -5.3788 -4.4277 -4.4277 3.8428 3.8428 4.5297 4.5297 4.7712 4.7712 5.6793 5.6793 6.8628 6.8628 7.0623 7.0623 9.3774 9.3774 9.4869 9.4869 10.3845 10.3845 12.8888 12.8888 k = 0.0686 0.0396 0.3097 ( 2524 PWs) bands (ev): -54.5219 -54.5219 -28.7932 -28.7932 -21.0853 -21.0853 -20.9924 -20.9924 -5.3646 -5.3646 -4.4267 -4.4267 3.8546 3.8546 4.4722 4.4722 4.7775 4.7775 5.7390 5.7390 6.7882 6.7882 7.0266 7.0266 9.3775 9.3775 9.5299 9.5299 10.4245 10.4245 12.8215 12.8215 k = 0.0784 0.0453 0.3097 ( 2530 PWs) bands (ev): -54.5218 -54.5218 -28.7937 -28.7937 -21.0856 -21.0856 -20.9947 -20.9947 -5.3484 -5.3484 -4.4255 -4.4255 3.8678 3.8678 4.4134 4.4134 4.7847 4.7847 5.7994 5.7994 6.7054 6.7054 6.9894 6.9894 9.3744 9.3744 9.5776 9.5776 10.4693 10.4693 12.7539 12.7539 k = 0.0882 0.0509 0.3097 ( 2530 PWs) bands (ev): -54.5217 -54.5217 -28.7943 -28.7943 -21.0860 -21.0860 -20.9971 -20.9971 -5.3301 -5.3301 -4.4241 -4.4241 3.8824 3.8824 4.3542 4.3542 4.7927 4.7927 5.8593 5.8593 6.6163 6.6163 6.9510 6.9510 9.3681 9.3681 9.6294 9.6294 10.5180 10.5180 12.6870 12.6870 k = 0.0980 0.0566 0.3097 ( 2528 PWs) bands (ev): -54.5216 -54.5216 -28.7949 -28.7949 -21.0864 -21.0864 -20.9997 -20.9997 -5.3099 -5.3099 -4.4226 -4.4226 3.8980 3.8980 4.2953 4.2953 4.8014 4.8014 5.9175 5.9175 6.5231 6.5231 6.9116 6.9116 9.3583 9.3583 9.6845 9.6845 10.5697 10.5697 12.6215 12.6215 k = 0.1078 0.0623 0.3097 ( 2524 PWs) bands (ev): -54.5214 -54.5214 -28.7955 -28.7955 -21.0868 -21.0868 -21.0025 -21.0025 -5.2877 -5.2877 -4.4209 -4.4209 3.9145 3.9145 4.2372 4.2372 4.8107 4.8107 5.9720 5.9720 6.4283 6.4283 6.8715 6.8715 9.3453 9.3453 9.7426 9.7426 10.6234 10.6234 12.5585 12.5585 k = 0.1176 0.0679 0.3097 ( 2532 PWs) bands (ev): -54.5213 -54.5213 -28.7963 -28.7963 -21.0874 -21.0874 -21.0056 -21.0056 -5.2637 -5.2637 -4.4191 -4.4191 3.9315 3.9315 4.1804 4.1804 4.8204 4.8204 6.0190 6.0190 6.3365 6.3365 6.8310 6.8310 9.3292 9.3292 9.8030 9.8030 10.6781 10.6781 12.4986 12.4986 k = 0.1275 0.0736 0.3097 ( 2536 PWs) bands (ev): -54.5212 -54.5212 -28.7971 -28.7971 -21.0881 -21.0881 -21.0089 -21.0089 -5.2380 -5.2380 -4.4171 -4.4171 3.9484 3.9484 4.1253 4.1253 4.8305 4.8305 6.0470 6.0470 6.2596 6.2596 6.7907 6.7907 9.3103 9.3103 9.8652 9.8652 10.7328 10.7328 12.4430 12.4430 k = 0.1373 0.0792 0.3097 ( 2536 PWs) bands (ev): -54.5210 -54.5210 -28.7978 -28.7978 -21.0889 -21.0889 -21.0121 -21.0121 -5.2105 -5.2105 -4.4149 -4.4149 3.9640 3.9640 4.0732 4.0732 4.8409 4.8409 6.0271 6.0271 6.2274 6.2274 6.7509 6.7509 9.2887 9.2887 9.9289 9.9289 10.7866 10.7866 12.3926 12.3926 k = 0.1471 0.0849 0.3097 ( 2532 PWs) bands (ev): -54.5209 -54.5209 -28.7986 -28.7986 -21.0898 -21.0898 -21.0155 -21.0155 -5.1815 -5.1815 -4.4125 -4.4125 3.9726 3.9726 4.0292 4.0292 4.8513 4.8513 5.9563 5.9563 6.2432 6.2432 6.7120 6.7120 9.2648 9.2648 9.9936 9.9936 10.8388 10.8388 12.3484 12.3484 k = 0.1569 0.0906 0.3097 ( 2530 PWs) bands (ev): -54.5207 -54.5207 -28.7995 -28.7995 -21.0908 -21.0908 -21.0189 -21.0189 -5.1510 -5.1510 -4.4099 -4.4099 3.9517 3.9517 4.0156 4.0156 4.8617 4.8617 5.8671 5.8671 6.2750 6.2750 6.6747 6.6747 9.2387 9.2387 10.0588 10.0588 10.8885 10.8885 12.3114 12.3114 k = 0.1667 0.0962 0.3097 ( 2528 PWs) bands (ev): -54.5205 -54.5205 -28.8004 -28.8004 -21.0920 -21.0920 -21.0223 -21.0223 -5.1191 -5.1191 -4.4071 -4.4071 3.9088 3.9088 4.0241 4.0241 4.8718 4.8718 5.7745 5.7745 6.3084 6.3084 6.6395 6.6395 9.2107 9.2107 10.1243 10.1243 10.9350 10.9350 12.2825 12.2825 k = 0.1765 0.1019 0.3097 ( 2534 PWs) bands (ev): -54.5203 -54.5203 -28.8014 -28.8014 -21.0935 -21.0935 -21.0257 -21.0257 -5.0860 -5.0860 -4.4039 -4.4039 3.8636 3.8636 4.0343 4.0343 4.8816 4.8816 5.6835 5.6835 6.3386 6.3386 6.6073 6.6073 9.1810 9.1810 10.1897 10.1897 10.9778 10.9778 12.2627 12.2627 k = 0.1863 0.1075 0.3097 ( 2534 PWs) bands (ev): -54.5201 -54.5201 -28.8024 -28.8024 -21.0952 -21.0952 -21.0290 -21.0290 -5.0517 -5.0517 -4.4005 -4.4005 3.8193 3.8193 4.0421 4.0421 4.8909 4.8909 5.5967 5.5967 6.3632 6.3632 6.5791 6.5791 9.1498 9.1498 10.2547 10.2547 11.0165 11.0165 12.2526 12.2526 k = 0.1961 0.1132 0.3097 ( 2542 PWs) bands (ev): -54.5200 -54.5200 -28.8035 -28.8035 -21.0971 -21.0971 -21.0323 -21.0323 -5.0165 -5.0165 -4.3968 -4.3968 3.7766 3.7766 4.0459 4.0459 4.8994 4.8994 5.5160 5.5160 6.3800 6.3800 6.5568 6.5568 9.1173 9.1173 10.3190 10.3190 11.0508 11.0508 12.2528 12.2528 k = 0.2059 0.1189 0.3097 ( 2538 PWs) bands (ev): -54.5198 -54.5198 -28.8045 -28.8045 -21.0992 -21.0992 -21.0353 -21.0353 -4.9806 -4.9806 -4.3926 -4.3926 3.7354 3.7354 4.0446 4.0446 4.9072 4.9072 5.4431 5.4431 6.3870 6.3870 6.5420 6.5420 9.0838 9.0838 10.3823 10.3823 11.0808 11.0808 12.2634 12.2634 k = 0.2157 0.1245 0.3097 ( 2530 PWs) bands (ev): -54.5195 -54.5195 -28.8055 -28.8055 -21.1015 -21.1015 -21.0381 -21.0381 -4.9440 -4.9440 -4.3879 -4.3879 3.6956 3.6956 4.0370 4.0370 4.9140 4.9140 5.3794 5.3794 6.3840 6.3840 6.5348 6.5348 9.0496 9.0496 10.4444 10.4444 11.1069 11.1069 12.2845 12.2845 k = 0.2255 0.1302 0.3097 ( 2530 PWs) bands (ev): -54.5193 -54.5193 -28.8065 -28.8065 -21.1042 -21.1042 -21.0408 -21.0408 -4.9072 -4.9072 -4.3826 -4.3826 3.6571 3.6571 4.0227 4.0227 4.9198 4.9198 5.3258 5.3258 6.3736 6.3736 6.5329 6.5329 9.0148 9.0148 10.5052 10.5052 11.1294 11.1294 12.3156 12.3156 k = 0.2353 0.1358 0.3097 ( 2530 PWs) bands (ev): -54.5191 -54.5191 -28.8076 -28.8076 -21.1071 -21.1071 -21.0432 -21.0432 -4.8702 -4.8702 -4.3766 -4.3766 3.6194 3.6194 4.0014 4.0014 4.9244 4.9244 5.2830 5.2830 6.3590 6.3590 6.5330 6.5330 8.9798 8.9798 10.5643 10.5643 11.1490 11.1490 12.3562 12.3562 k = 0.2451 0.1415 0.3097 ( 2534 PWs) bands (ev): -54.5189 -54.5189 -28.8088 -28.8088 -21.1103 -21.1103 -21.0454 -21.0454 -4.8335 -4.8335 -4.3698 -4.3698 3.5819 3.5819 3.9737 3.9737 4.9277 4.9277 5.2511 5.2511 6.3431 6.3431 6.5326 6.5326 8.9448 8.9448 10.6217 10.6217 11.1666 11.1666 12.4056 12.4056 k = 0.2549 0.1472 0.3097 ( 2526 PWs) bands (ev): -54.5187 -54.5187 -28.8098 -28.8098 -21.1136 -21.1136 -21.0474 -21.0474 -4.7973 -4.7973 -4.3618 -4.3618 3.5439 3.5439 3.9410 3.9410 4.9298 4.9298 5.2294 5.2294 6.3273 6.3273 6.5305 6.5305 8.9101 8.9101 10.6771 10.6771 11.1828 11.1828 12.4629 12.4629 k = 0.2647 0.1528 0.3097 ( 2524 PWs) bands (ev): -54.5185 -54.5185 -28.8108 -28.8108 -21.1172 -21.1172 -21.0491 -21.0491 -4.7620 -4.7620 -4.3525 -4.3525 3.5045 3.5045 3.9050 3.9050 4.9305 4.9305 5.2169 5.2169 6.3124 6.3124 6.5260 6.5260 8.8760 8.8760 10.7304 10.7304 11.1983 11.1983 12.5273 12.5273 k = 0.2745 0.1585 0.3097 ( 2524 PWs) bands (ev): -54.5183 -54.5183 -28.8119 -28.8119 -21.1210 -21.1210 -21.0506 -21.0506 -4.7281 -4.7281 -4.3417 -4.3417 3.4626 3.4626 3.8680 3.8680 4.9300 4.9300 5.2121 5.2121 6.2990 6.2990 6.5194 6.5194 8.8426 8.8426 10.7816 10.7816 11.2138 11.2138 12.5978 12.5978 k = 0.2843 0.1641 0.3097 ( 2528 PWs) bands (ev): -54.5181 -54.5181 -28.8130 -28.8130 -21.1249 -21.1249 -21.0520 -21.0520 -4.6960 -4.6960 -4.3290 -4.3290 3.4173 3.4173 3.8323 3.8323 4.9282 4.9282 5.2133 5.2133 6.2870 6.2870 6.5109 6.5109 8.8102 8.8102 10.8306 10.8306 11.2297 11.2297 12.6735 12.6735 k = 0.2941 0.1698 0.3097 ( 2520 PWs) bands (ev): -54.5179 -54.5179 -28.8140 -28.8140 -21.1289 -21.1289 -21.0530 -21.0530 -4.6661 -4.6661 -4.3141 -4.3141 3.3678 3.3678 3.8001 3.8001 4.9251 4.9251 5.2190 5.2190 6.2766 6.2766 6.5011 6.5011 8.7789 8.7789 10.8771 10.8771 11.2464 11.2464 12.7530 12.7530 k = 0.3039 0.1755 0.3097 ( 2524 PWs) bands (ev): -54.5177 -54.5177 -28.8151 -28.8151 -21.1330 -21.1330 -21.0540 -21.0540 -4.6389 -4.6389 -4.2968 -4.2968 3.3140 3.3140 3.7726 3.7726 4.9209 4.9209 5.2275 5.2275 6.2675 6.2675 6.4906 6.4906 8.7487 8.7487 10.9214 10.9214 11.2643 11.2643 12.8335 12.8335 k = 0.3137 0.1811 0.3097 ( 2524 PWs) bands (ev): -54.5175 -54.5175 -28.8161 -28.8161 -21.1371 -21.1371 -21.0549 -21.0549 -4.6146 -4.6146 -4.2771 -4.2771 3.2563 3.2563 3.7507 3.7507 4.9156 4.9156 5.2371 5.2371 6.2597 6.2597 6.4804 6.4804 8.7199 8.7199 10.9632 10.9632 11.2836 11.2836 12.9084 12.9084 k = 0.3235 0.1868 0.3097 ( 2524 PWs) bands (ev): -54.5173 -54.5173 -28.8171 -28.8171 -21.1412 -21.1412 -21.0556 -21.0556 -4.5933 -4.5933 -4.2549 -4.2549 3.1954 3.1954 3.7344 3.7344 4.9094 4.9094 5.2465 5.2465 6.2531 6.2531 6.4711 6.4711 8.6925 8.6925 11.0027 11.0027 11.3044 11.3044 12.9631 12.9631 k = 0.3333 0.1925 0.3097 ( 2520 PWs) bands (ev): -54.5171 -54.5171 -28.8180 -28.8180 -21.1452 -21.1452 -21.0562 -21.0562 -4.5751 -4.5751 -4.2305 -4.2305 3.1324 3.1324 3.7235 3.7235 4.9025 4.9025 5.2544 5.2544 6.2475 6.2475 6.4636 6.4636 8.6664 8.6664 11.0400 11.0400 11.3266 11.3266 12.9952 12.9952 k = 0.3431 0.1981 0.3097 ( 2524 PWs) bands (ev): -54.5170 -54.5170 -28.8190 -28.8190 -21.1492 -21.1492 -21.0568 -21.0568 -4.5597 -4.5597 -4.2043 -4.2043 3.0683 3.0683 3.7173 3.7173 4.8949 4.8949 5.2596 5.2596 6.2430 6.2430 6.4584 6.4584 8.6416 8.6416 11.0752 11.0752 11.3503 11.3503 13.0179 13.0179 k = 0.3529 0.2038 0.3097 ( 2520 PWs) bands (ev): -54.5168 -54.5168 -28.8198 -28.8198 -21.1529 -21.1529 -21.0572 -21.0572 -4.5468 -4.5468 -4.1768 -4.1768 3.0043 3.0043 3.7155 3.7155 4.8869 4.8869 5.2614 5.2614 6.2398 6.2398 6.4559 6.4559 8.6182 8.6182 11.1085 11.1085 11.3752 11.3752 13.0373 13.0373 k = 0.3627 0.2094 0.3097 ( 2520 PWs) bands (ev): -54.5166 -54.5166 -28.8207 -28.8207 -21.1566 -21.1566 -21.0576 -21.0576 -4.5361 -4.5361 -4.1484 -4.1484 2.9412 2.9412 3.7174 3.7174 4.8786 4.8786 5.2590 5.2590 6.2379 6.2379 6.4564 6.4564 8.5961 8.5961 11.1400 11.1400 11.4012 11.4012 13.0555 13.0555 k = 0.3725 0.2151 0.3097 ( 2520 PWs) bands (ev): -54.5165 -54.5165 -28.8215 -28.8215 -21.1602 -21.1602 -21.0580 -21.0580 -4.5272 -4.5272 -4.1198 -4.1198 2.8797 2.8797 3.7227 3.7227 4.8702 4.8702 5.2523 5.2523 6.2374 6.2374 6.4597 6.4597 8.5753 8.5753 11.1700 11.1700 11.4280 11.4280 13.0728 13.0728 k = 0.3824 0.2208 0.3097 ( 2512 PWs) bands (ev): -54.5163 -54.5163 -28.8222 -28.8222 -21.1634 -21.1634 -21.0582 -21.0582 -4.5199 -4.5199 -4.0914 -4.0914 2.8206 2.8206 3.7307 3.7307 4.8617 4.8617 5.2411 5.2411 6.2385 6.2385 6.4657 6.4657 8.5557 8.5557 11.1986 11.1986 11.4553 11.4553 13.0894 13.0894 k = 0.3922 0.2264 0.3097 ( 2508 PWs) bands (ev): -54.5162 -54.5162 -28.8228 -28.8228 -21.1666 -21.1666 -21.0585 -21.0585 -4.5138 -4.5138 -4.0637 -4.0637 2.7644 2.7644 3.7410 3.7410 4.8535 4.8535 5.2259 5.2259 6.2409 6.2409 6.4740 6.4740 8.5373 8.5373 11.2260 11.2260 11.4829 11.4829 13.1051 13.1051 k = 0.4020 0.2321 0.3097 ( 2502 PWs) bands (ev): -54.5161 -54.5161 -28.8234 -28.8234 -21.1694 -21.1694 -21.0586 -21.0586 -4.5088 -4.5088 -4.0372 -4.0372 2.7116 2.7116 3.7531 3.7531 4.8455 4.8455 5.2073 5.2073 6.2444 6.2444 6.4843 6.4843 8.5203 8.5203 11.2520 11.2520 11.5105 11.5105 13.1197 13.1197 k = 0.4118 0.2377 0.3097 ( 2498 PWs) bands (ev): -54.5159 -54.5159 -28.8240 -28.8240 -21.1721 -21.1721 -21.0588 -21.0588 -4.5046 -4.5046 -4.0121 -4.0121 2.6627 2.6627 3.7666 3.7666 4.8379 4.8379 5.1860 5.1860 6.2488 6.2488 6.4960 6.4960 8.5044 8.5044 11.2766 11.2766 11.5378 11.5378 13.1327 13.1327 k = 0.4216 0.2434 0.3097 ( 2498 PWs) bands (ev): -54.5158 -54.5158 -28.8245 -28.8245 -21.1746 -21.1746 -21.0589 -21.0589 -4.5012 -4.5012 -3.9887 -3.9887 2.6179 2.6179 3.7810 3.7810 4.8308 4.8308 5.1629 5.1629 6.2537 6.2537 6.5086 6.5086 8.4899 8.4899 11.2996 11.2996 11.5644 11.5644 13.1426 13.1426 k = 0.4314 0.2491 0.3097 ( 2506 PWs) bands (ev): -54.5158 -54.5158 -28.8251 -28.8251 -21.1768 -21.1768 -21.0591 -21.0591 -4.4984 -4.4984 -3.9675 -3.9675 2.5777 2.5777 3.7957 3.7957 4.8244 4.8244 5.1392 5.1392 6.2587 6.2587 6.5216 6.5216 8.4768 8.4768 11.3209 11.3209 11.5901 11.5901 13.1445 13.1445 k = 0.4412 0.2547 0.3097 ( 2510 PWs) bands (ev): -54.5157 -54.5157 -28.8256 -28.8256 -21.1788 -21.1788 -21.0592 -21.0592 -4.4961 -4.4961 -3.9486 -3.9486 2.5423 2.5423 3.8102 3.8102 4.8186 4.8186 5.1159 5.1159 6.2636 6.2636 6.5343 6.5343 8.4652 8.4652 11.3402 11.3402 11.6143 11.6143 13.1237 13.1237 k = 0.4510 0.2604 0.3097 ( 2506 PWs) bands (ev): -54.5156 -54.5156 -28.8259 -28.8259 -21.1804 -21.1804 -21.0593 -21.0593 -4.4943 -4.4943 -3.9323 -3.9323 2.5120 2.5120 3.8238 3.8238 4.8136 4.8136 5.0940 5.0940 6.2681 6.2681 6.5462 6.5462 8.4551 8.4551 11.3571 11.3571 11.6366 11.6366 13.0845 13.0845 k = 0.4608 0.2660 0.3097 ( 2510 PWs) bands (ev): -54.5156 -54.5156 -28.8262 -28.8262 -21.1817 -21.1817 -21.0594 -21.0594 -4.4929 -4.4929 -3.9186 -3.9186 2.4869 2.4869 3.8360 3.8360 4.8094 4.8094 5.0744 5.0744 6.2720 6.2720 6.5567 6.5567 8.4467 8.4467 11.3714 11.3714 11.6563 11.6563 13.0448 13.0448 k = 0.4706 0.2717 0.3097 ( 2516 PWs) bands (ev): -54.5155 -54.5155 -28.8265 -28.8265 -21.1829 -21.1829 -21.0595 -21.0595 -4.4918 -4.4918 -3.9079 -3.9079 2.4671 2.4671 3.8462 3.8462 4.8061 4.8061 5.0582 5.0582 6.2751 6.2751 6.5654 6.5654 8.4400 8.4400 11.3828 11.3828 11.6727 11.6727 13.0110 13.0110 k = 0.4804 0.2774 0.3097 ( 2518 PWs) bands (ev): -54.5155 -54.5155 -28.8267 -28.8267 -21.1837 -21.1837 -21.0595 -21.0595 -4.4911 -4.4911 -3.9001 -3.9001 2.4530 2.4530 3.8539 3.8539 4.8037 4.8037 5.0460 5.0460 6.2774 6.2774 6.5719 6.5719 8.4352 8.4352 11.3912 11.3912 11.6851 11.6851 12.9856 12.9856 k = 0.4902 0.2830 0.3097 ( 2512 PWs) bands (ev): -54.5155 -54.5155 -28.8268 -28.8268 -21.1841 -21.1841 -21.0595 -21.0595 -4.4907 -4.4907 -3.8954 -3.8954 2.4444 2.4444 3.8587 3.8587 4.8022 4.8022 5.0384 5.0384 6.2789 6.2789 6.5760 6.5760 8.4322 8.4322 11.3962 11.3962 11.6928 11.6928 12.9698 12.9698 k = 0.5000 0.2887 0.3097 ( 2508 PWs) bands (ev): -54.5155 -54.5155 -28.8267 -28.8267 -21.1842 -21.1842 -21.0595 -21.0595 -4.4905 -4.4905 -3.8939 -3.8939 2.4416 2.4416 3.8603 3.8603 4.8017 4.8017 5.0358 5.0358 6.2794 6.2794 6.5773 6.5773 8.4313 8.4313 11.3979 11.3979 11.6954 11.6954 12.9644 12.9644 k = 0.5000 0.2887 0.3097 ( 2508 PWs) bands (ev): -54.5155 -54.5155 -28.8267 -28.8267 -21.1842 -21.1842 -21.0595 -21.0595 -4.4905 -4.4905 -3.8939 -3.8939 2.4416 2.4416 3.8603 3.8603 4.8017 4.8017 5.0358 5.0358 6.2794 6.2794 6.5773 6.5773 8.4313 8.4313 11.3979 11.3979 11.6954 11.6954 12.9644 12.9644 k = 0.4943 0.2986 0.3097 ( 2508 PWs) bands (ev): -54.5155 -54.5155 -28.8268 -28.8268 -21.1841 -21.1841 -21.0596 -21.0596 -4.4898 -4.4898 -3.8942 -3.8942 2.4433 2.4433 3.8598 3.8598 4.8021 4.8021 5.0359 5.0359 6.2738 6.2738 6.5742 6.5742 8.4371 8.4371 11.3961 11.3961 11.6936 11.6936 12.9697 12.9697 k = 0.4885 0.3086 0.3097 ( 2506 PWs) bands (ev): -54.5154 -54.5154 -28.8268 -28.8268 -21.1840 -21.1840 -21.0599 -21.0599 -4.4877 -4.4877 -3.8951 -3.8951 2.4485 2.4485 3.8584 3.8584 4.8032 4.8032 5.0362 5.0362 6.2572 6.2572 6.5652 6.5652 8.4542 8.4542 11.3907 11.3907 11.6884 11.6884 12.9846 12.9846 k = 0.4828 0.3185 0.3097 ( 2510 PWs) bands (ev): -54.5154 -54.5154 -28.8269 -28.8269 -21.1838 -21.1838 -21.0604 -21.0604 -4.4842 -4.4842 -3.8966 -3.8966 2.4571 2.4571 3.8560 3.8560 4.8049 4.8049 5.0365 5.0365 6.2297 6.2297 6.5511 6.5511 8.4819 8.4819 11.3820 11.3820 11.6797 11.6797 13.0058 13.0058 k = 0.4770 0.3285 0.3097 ( 2510 PWs) bands (ev): -54.5154 -54.5154 -28.8269 -28.8269 -21.1834 -21.1834 -21.0612 -21.0612 -4.4793 -4.4793 -3.8988 -3.8988 2.4691 2.4691 3.8527 3.8527 4.8074 4.8074 5.0367 5.0367 6.1916 6.1916 6.5329 6.5329 8.5192 8.5192 11.3703 11.3703 11.6677 11.6677 13.0253 13.0253 k = 0.4713 0.3384 0.3097 ( 2510 PWs) bands (ev): -54.5154 -54.5154 -28.8270 -28.8270 -21.1830 -21.1830 -21.0622 -21.0622 -4.4731 -4.4731 -3.9016 -3.9016 2.4845 2.4845 3.8485 3.8485 4.8107 4.8107 5.0367 5.0367 6.1437 6.1437 6.5115 6.5115 8.5647 8.5647 11.3561 11.3561 11.6525 11.6525 13.0315 13.0315 k = 0.4655 0.3484 0.3097 ( 2506 PWs) bands (ev): -54.5154 -54.5154 -28.8271 -28.8271 -21.1824 -21.1824 -21.0633 -21.0633 -4.4656 -4.4656 -3.9049 -3.9049 2.5033 2.5033 3.8434 3.8434 4.8148 4.8148 5.0359 5.0359 6.0875 6.0875 6.4873 6.4873 8.6172 8.6172 11.3397 11.3397 11.6342 11.6342 13.0201 13.0201 k = 0.4598 0.3584 0.3097 ( 2510 PWs) bands (ev): -54.5154 -54.5154 -28.8273 -28.8273 -21.1818 -21.1818 -21.0648 -21.0648 -4.4568 -4.4568 -3.9088 -3.9088 2.5254 2.5254 3.8376 3.8376 4.8197 4.8197 5.0341 5.0341 6.0245 6.0245 6.4607 6.4607 8.6754 8.6754 11.3215 11.3215 11.6129 11.6129 12.9976 12.9976 k = 0.4540 0.3683 0.3097 ( 2510 PWs) bands (ev): -54.5153 -54.5153 -28.8274 -28.8274 -21.1811 -21.1811 -21.0663 -21.0663 -4.4469 -4.4469 -3.9133 -3.9133 2.5508 2.5508 3.8311 3.8311 4.8253 4.8253 5.0306 5.0306 5.9568 5.9568 6.4318 6.4318 8.7383 8.7383 11.3015 11.3015 11.5886 11.5886 12.9707 12.9707 k = 0.4483 0.3783 0.3097 ( 2510 PWs) bands (ev): -54.5153 -54.5153 -28.8276 -28.8276 -21.1802 -21.1802 -21.0680 -21.0680 -4.4357 -4.4357 -3.9184 -3.9184 2.5794 2.5794 3.8239 3.8239 4.8317 4.8317 5.0245 5.0245 5.8867 5.8867 6.4005 6.4005 8.8049 8.8049 11.2800 11.2800 11.5615 11.5615 12.9433 12.9433 k = 0.4425 0.3882 0.3097 ( 2514 PWs) bands (ev): -54.5153 -54.5153 -28.8278 -28.8278 -21.1794 -21.1794 -21.0700 -21.0700 -4.4235 -4.4235 -3.9240 -3.9240 2.6112 2.6112 3.8161 3.8161 4.8385 4.8385 5.0150 5.0150 5.8165 5.8165 6.3668 6.3668 8.8746 8.8746 11.2567 11.2567 11.5316 11.5316 12.9181 12.9181 k = 0.4368 0.3982 0.3097 ( 2510 PWs) bands (ev): -54.5152 -54.5152 -28.8280 -28.8280 -21.1784 -21.1784 -21.0719 -21.0719 -4.4102 -4.4102 -3.9301 -3.9301 2.6461 2.6461 3.8079 3.8079 4.8454 4.8454 5.0010 5.0010 5.7489 5.7489 6.3307 6.3307 8.9467 8.9467 11.2314 11.2314 11.4994 11.4994 12.8968 12.8968 k = 0.4310 0.4081 0.3097 ( 2506 PWs) bands (ev): -54.5152 -54.5152 -28.8281 -28.8281 -21.1774 -21.1774 -21.0740 -21.0740 -4.3960 -4.3960 -3.9367 -3.9367 2.6840 2.6840 3.7994 3.7994 4.8510 4.8510 4.9820 4.9820 5.6865 5.6865 6.2922 6.2922 9.0208 9.0208 11.2038 11.2038 11.4649 11.4649 12.8809 12.8809 k = 0.4253 0.4181 0.3097 ( 2506 PWs) bands (ev): -54.5151 -54.5151 -28.8283 -28.8283 -21.1764 -21.1764 -21.0761 -21.0761 -4.3810 -4.3810 -3.9437 -3.9437 2.7249 2.7249 3.7906 3.7906 4.8519 4.8519 4.9600 4.9600 5.6317 5.6317 6.2515 6.2515 9.0966 9.0966 11.1736 11.1736 11.4284 11.4284 12.8716 12.8716 k = 0.4195 0.4280 0.3097 ( 2514 PWs) bands (ev): -54.5151 -54.5151 -28.8286 -28.8286 -21.1754 -21.1754 -21.0785 -21.0785 -4.3653 -4.3653 -3.9512 -3.9512 2.7687 2.7687 3.7816 3.7816 4.8393 4.8393 4.9423 4.9423 5.5866 5.5866 6.2086 6.2086 9.1737 9.1737 11.1404 11.1404 11.3904 11.3904 12.8696 12.8696 k = 0.4138 0.4380 0.3097 ( 2518 PWs) bands (ev): -54.5151 -54.5151 -28.8289 -28.8289 -21.1743 -21.1743 -21.0808 -21.0808 -4.3489 -4.3489 -3.9591 -3.9591 2.8152 2.8152 3.7725 3.7725 4.8042 4.8042 4.9379 4.9379 5.5519 5.5519 6.1638 6.1638 9.2520 9.2520 11.1042 11.1042 11.3509 11.3509 12.8757 12.8757 k = 0.4080 0.4479 0.3097 ( 2510 PWs) bands (ev): -54.5150 -54.5150 -28.8291 -28.8291 -21.1732 -21.1732 -21.0831 -21.0831 -4.3320 -4.3320 -3.9674 -3.9674 2.8644 2.8644 3.7636 3.7636 4.7494 4.7494 4.9446 4.9446 5.5273 5.5273 6.1173 6.1173 9.3313 9.3313 11.0647 11.0647 11.3104 11.3104 12.8902 12.8902 k = 0.4023 0.4579 0.3097 ( 2514 PWs) bands (ev): -54.5150 -54.5150 -28.8293 -28.8293 -21.1721 -21.1721 -21.0854 -21.0854 -4.3147 -4.3147 -3.9760 -3.9760 2.9162 2.9162 3.7547 3.7547 4.6819 4.6819 4.9570 4.9570 5.5116 5.5116 6.0694 6.0694 9.4114 9.4114 11.0223 11.0223 11.2689 11.2689 12.9132 12.9132 k = 0.3966 0.4679 0.3097 ( 2518 PWs) bands (ev): -54.5149 -54.5149 -28.8296 -28.8296 -21.1710 -21.1710 -21.0878 -21.0878 -4.2971 -4.2971 -3.9850 -3.9850 2.9703 2.9703 3.7461 3.7461 4.6063 4.6063 4.9726 4.9726 5.5032 5.5032 6.0205 6.0205 9.4923 9.4923 10.9772 10.9772 11.2267 11.2267 12.9447 12.9447 k = 0.3908 0.4778 0.3097 ( 2518 PWs) bands (ev): -54.5149 -54.5149 -28.8298 -28.8298 -21.1699 -21.1699 -21.0900 -21.0900 -4.2795 -4.2795 -3.9941 -3.9941 3.0267 3.0267 3.7378 3.7378 4.5254 4.5254 4.9901 4.9901 5.5007 5.5007 5.9709 5.9709 9.5737 9.5737 10.9301 10.9301 11.1838 11.1838 12.9845 12.9845 k = 0.3851 0.4878 0.3097 ( 2524 PWs) bands (ev): -54.5148 -54.5148 -28.8301 -28.8301 -21.1690 -21.1690 -21.0922 -21.0922 -4.2620 -4.2620 -4.0034 -4.0034 3.0852 3.0852 3.7299 3.7299 4.4414 4.4414 5.0090 5.0090 5.5025 5.5025 5.9210 5.9210 9.6555 9.6555 10.8814 10.8814 11.1404 11.1404 13.0320 13.0320 k = 0.3793 0.4977 0.3097 ( 2520 PWs) bands (ev): -54.5148 -54.5148 -28.8302 -28.8302 -21.1680 -21.1680 -21.0942 -21.0942 -4.2447 -4.2447 -4.0128 -4.0128 3.1456 3.1456 3.7225 3.7225 4.3560 4.3560 5.0289 5.0289 5.5075 5.5075 5.8714 5.8714 9.7372 9.7372 10.8319 10.8319 11.0968 11.0968 13.0867 13.0867 k = 0.3736 0.5077 0.3097 ( 2520 PWs) bands (ev): -54.5148 -54.5148 -28.8304 -28.8304 -21.1671 -21.1671 -21.0960 -21.0960 -4.2279 -4.2279 -4.0222 -4.0222 3.2076 3.2076 3.7156 3.7156 4.2703 4.2703 5.0493 5.0493 5.5149 5.5149 5.8227 5.8227 9.8185 9.8185 10.7826 10.7826 11.0531 11.0531 13.1480 13.1480 k = 0.3678 0.5176 0.3097 ( 2524 PWs) bands (ev): -54.5147 -54.5147 -28.8306 -28.8306 -21.1663 -21.1663 -21.0977 -21.0977 -4.2118 -4.2118 -4.0315 -4.0315 3.2709 3.2709 3.7093 3.7093 4.1856 4.1856 5.0699 5.0699 5.5239 5.5239 5.7756 5.7756 9.8984 9.8984 10.7345 10.7345 11.0098 11.0098 13.2152 13.2152 k = 0.3621 0.5276 0.3097 ( 2532 PWs) bands (ev): -54.5147 -54.5147 -28.8309 -28.8309 -21.1657 -21.1657 -21.0992 -21.0992 -4.1967 -4.1967 -4.0405 -4.0405 3.3352 3.3352 3.7038 3.7038 4.1026 4.1026 5.0899 5.0899 5.5340 5.5340 5.7308 5.7308 9.9758 9.9758 10.6889 10.6889 10.9671 10.9671 13.2874 13.2874 k = 0.3563 0.5375 0.3097 ( 2524 PWs) bands (ev): -54.5147 -54.5147 -28.8309 -28.8309 -21.1652 -21.1652 -21.1003 -21.1003 -4.1831 -4.1831 -4.0488 -4.0488 3.3995 3.3995 3.6994 3.6994 4.0224 4.0224 5.1089 5.1089 5.5446 5.5446 5.6895 5.6895 10.0485 10.0485 10.6478 10.6478 10.9258 10.9258 13.3639 13.3639 k = 0.3506 0.5475 0.3097 ( 2524 PWs) bands (ev): -54.5147 -54.5147 -28.8310 -28.8310 -21.1648 -21.1648 -21.1013 -21.1013 -4.1714 -4.1714 -4.0562 -4.0562 3.4624 3.4624 3.6967 3.6967 3.9461 3.9461 5.1257 5.1257 5.5554 5.5554 5.6528 5.6528 10.1132 10.1132 10.6141 10.6141 10.8870 10.8870 13.4436 13.4436 k = 0.3448 0.5574 0.3097 ( 2532 PWs) bands (ev): -54.5147 -54.5147 -28.8312 -28.8312 -21.1645 -21.1645 -21.1020 -21.1020 -4.1623 -4.1623 -4.0620 -4.0620 3.5204 3.5204 3.6978 3.6978 3.8753 3.8753 5.1391 5.1391 5.5659 5.5659 5.6223 5.6223 10.1646 10.1646 10.5912 10.5912 10.8524 10.8524 13.5256 13.5256 k = 0.3391 0.5674 0.3097 ( 2532 PWs) bands (ev): -54.5146 -54.5146 -28.8312 -28.8312 -21.1644 -21.1644 -21.1024 -21.1024 -4.1566 -4.1566 -4.0657 -4.0657 3.5647 3.5647 3.7076 3.7076 3.8142 3.8142 5.1479 5.1479 5.5758 5.5758 5.5996 5.5996 10.1969 10.1969 10.5817 10.5817 10.8261 10.8261 13.6086 13.6086 k = 0.3333 0.5774 0.3097 ( 2532 PWs) bands (ev): -54.5146 -54.5146 -28.8312 -28.8312 -21.1643 -21.1643 -21.1025 -21.1025 -4.1546 -4.1546 -4.0669 -4.0669 3.5813 3.5813 3.7217 3.7217 3.7812 3.7812 5.1510 5.1510 5.5826 5.5826 5.5884 5.5884 10.2071 10.2071 10.5811 10.5811 10.8152 10.8152 13.6804 13.6804 k = 0.3333 0.5774 0.3097 ( 2532 PWs) bands (ev): -54.5146 -54.5146 -28.8312 -28.8312 -21.1643 -21.1643 -21.1025 -21.1025 -4.1546 -4.1546 -4.0669 -4.0669 3.5813 3.5813 3.7217 3.7217 3.7812 3.7812 5.1510 5.1510 5.5826 5.5826 5.5884 5.5884 10.2071 10.2071 10.5811 10.5811 10.8152 10.8152 13.6804 13.6804 k = 0.3276 0.5674 0.3097 ( 2532 PWs) bands (ev): -54.5146 -54.5146 -28.8312 -28.8312 -21.1644 -21.1644 -21.1024 -21.1024 -4.1564 -4.1564 -4.0659 -4.0659 3.5667 3.5667 3.7052 3.7052 3.8146 3.8146 5.1479 5.1479 5.5808 5.5808 5.5946 5.5946 10.1989 10.1989 10.5771 10.5771 10.8286 10.8286 13.6088 13.6088 k = 0.3218 0.5574 0.3097 ( 2532 PWs) bands (ev): -54.5147 -54.5147 -28.8312 -28.8312 -21.1645 -21.1645 -21.1020 -21.1020 -4.1611 -4.1611 -4.0635 -4.0635 3.5313 3.5313 3.6874 3.6874 3.8748 3.8748 5.1391 5.1391 5.5861 5.5861 5.6022 5.6022 10.1789 10.1789 10.5610 10.5610 10.8683 10.8683 13.5260 13.5260 k = 0.3161 0.5475 0.3097 ( 2524 PWs) bands (ev): -54.5147 -54.5147 -28.8310 -28.8310 -21.1645 -21.1645 -21.1014 -21.1014 -4.1679 -4.1679 -4.0608 -4.0608 3.4872 3.4872 3.6761 3.6761 3.9417 3.9417 5.1260 5.1260 5.5972 5.5972 5.6110 5.6110 10.1528 10.1528 10.5345 10.5345 10.9265 10.9265 13.4434 13.4434 k = 0.3103 0.5375 0.3097 ( 2528 PWs) bands (ev): -54.5147 -54.5147 -28.8309 -28.8309 -21.1647 -21.1647 -21.1006 -21.1006 -4.1760 -4.1760 -4.0584 -4.0584 3.4419 3.4419 3.6680 3.6680 4.0111 4.0111 5.1103 5.1103 5.6054 5.6054 5.6282 5.6282 10.1241 10.1241 10.5023 10.5023 10.9948 10.9948 13.3620 13.3620 k = 0.3046 0.5276 0.3097 ( 2526 PWs) bands (ev): -54.5147 -54.5147 -28.8307 -28.8307 -21.1648 -21.1648 -21.0997 -21.0997 -4.1850 -4.1850 -4.0572 -4.0572 3.3987 3.3987 3.6611 3.6611 4.0814 4.0814 5.0937 5.0937 5.6085 5.6085 5.6543 5.6543 10.0951 10.0951 10.4671 10.4671 11.0675 11.0675 13.2828 13.2828 k = 0.2989 0.5176 0.3097 ( 2518 PWs) bands (ev): -54.5148 -54.5148 -28.8304 -28.8304 -21.1647 -21.1647 -21.0985 -21.0985 -4.1944 -4.1944 -4.0574 -4.0574 3.3592 3.3592 3.6546 3.6546 4.1517 4.1517 5.0777 5.0777 5.6087 5.6087 5.6856 5.6856 10.0669 10.0669 10.4305 10.4305 11.1411 11.1411 13.2064 13.2064 k = 0.2931 0.5077 0.3097 ( 2520 PWs) bands (ev): -54.5148 -54.5148 -28.8302 -28.8302 -21.1646 -21.1646 -21.0973 -21.0973 -4.2042 -4.2042 -4.0594 -4.0594 3.3241 3.3241 3.6480 3.6480 4.2215 4.2215 5.0635 5.0635 5.6066 5.6066 5.7206 5.7206 10.0402 10.0402 10.3935 10.3935 11.2130 11.2130 13.1340 13.1340 k = 0.2874 0.4977 0.3097 ( 2524 PWs) bands (ev): -54.5149 -54.5149 -28.8299 -28.8299 -21.1645 -21.1645 -21.0960 -21.0960 -4.2141 -4.2141 -4.0634 -4.0634 3.2939 3.2939 3.6410 3.6410 4.2905 4.2905 5.0519 5.0519 5.6023 5.6023 5.7583 5.7583 10.0156 10.0156 10.3566 10.3566 11.2813 11.2813 13.0664 13.0664 k = 0.2816 0.4878 0.3097 ( 2516 PWs) bands (ev): -54.5149 -54.5149 -28.8295 -28.8295 -21.1641 -21.1641 -21.0945 -21.0945 -4.2241 -4.2241 -4.0694 -4.0694 3.2689 3.2689 3.6335 3.6335 4.3581 4.3581 5.0435 5.0435 5.5957 5.5957 5.7982 5.7982 9.9931 9.9931 10.3200 10.3200 11.3441 11.3441 13.0045 13.0045 k = 0.2759 0.4778 0.3097 ( 2520 PWs) bands (ev): -54.5150 -54.5150 -28.8291 -28.8291 -21.1637 -21.1637 -21.0931 -21.0931 -4.2341 -4.2341 -4.0776 -4.0776 3.2492 3.2492 3.6255 3.6255 4.4241 4.4241 5.0388 5.0388 5.5871 5.5871 5.8397 5.8397 9.9728 9.9728 10.2840 10.2840 11.4000 11.4000 12.9493 12.9493 k = 0.2701 0.4679 0.3097 ( 2512 PWs) bands (ev): -54.5151 -54.5151 -28.8286 -28.8286 -21.1629 -21.1629 -21.0915 -21.0915 -4.2441 -4.2441 -4.0881 -4.0881 3.2351 3.2351 3.6170 3.6170 4.4880 4.4880 5.0382 5.0382 5.5764 5.5764 5.8824 5.8824 9.9547 9.9547 10.2489 10.2489 11.4478 11.4478 12.9013 12.9013 k = 0.2644 0.4579 0.3097 ( 2508 PWs) bands (ev): -54.5152 -54.5152 -28.8281 -28.8281 -21.1620 -21.1620 -21.0899 -21.0899 -4.2540 -4.2540 -4.1008 -4.1008 3.2264 3.2264 3.6081 3.6081 4.5496 4.5496 5.0417 5.0417 5.5638 5.5638 5.9260 5.9260 9.9386 9.9386 10.2147 10.2147 11.4864 11.4864 12.8608 12.8608 k = 0.2586 0.4479 0.3097 ( 2512 PWs) bands (ev): -54.5153 -54.5153 -28.8276 -28.8276 -21.1610 -21.1610 -21.0883 -21.0883 -4.2639 -4.2639 -4.1157 -4.1157 3.2233 3.2233 3.5988 3.5988 4.6085 4.6085 5.0495 5.0495 5.5495 5.5495 5.9702 5.9702 9.9242 9.9242 10.1816 10.1816 11.5155 11.5155 12.8276 12.8276 k = 0.2529 0.4380 0.3097 ( 2510 PWs) bands (ev): -54.5154 -54.5154 -28.8270 -28.8270 -21.1598 -21.1598 -21.0866 -21.0866 -4.2739 -4.2739 -4.1328 -4.1328 3.2258 3.2258 3.5893 3.5893 4.6644 4.6644 5.0613 5.0613 5.5339 5.5339 6.0146 6.0146 9.9112 9.9112 10.1498 10.1498 11.5355 11.5355 12.8008 12.8008 k = 0.2471 0.4280 0.3097 ( 2516 PWs) bands (ev): -54.5155 -54.5155 -28.8264 -28.8264 -21.1583 -21.1583 -21.0850 -21.0850 -4.2839 -4.2839 -4.1519 -4.1519 3.2336 3.2336 3.5798 3.5798 4.7170 4.7170 5.0772 5.0772 5.5172 5.5172 6.0591 6.0591 9.8992 9.8992 10.1194 10.1194 11.5471 11.5471 12.7792 12.7792 k = 0.2414 0.4181 0.3097 ( 2508 PWs) bands (ev): -54.5156 -54.5156 -28.8256 -28.8256 -21.1566 -21.1566 -21.0833 -21.0833 -4.2941 -4.2941 -4.1728 -4.1728 3.2468 3.2468 3.5706 3.5706 4.7659 4.7659 5.0966 5.0966 5.5001 5.5001 6.1034 6.1034 9.8879 9.8879 10.0907 10.0907 11.5518 11.5518 12.7611 12.7611 k = 0.2356 0.4081 0.3097 ( 2508 PWs) bands (ev): -54.5158 -54.5158 -28.8249 -28.8249 -21.1547 -21.1547 -21.0817 -21.0817 -4.3049 -4.3049 -4.1951 -4.1951 3.2652 3.2652 3.5617 3.5617 4.8109 4.8109 5.1191 5.1191 5.4831 5.4831 6.1471 6.1471 9.8769 9.8769 10.0638 10.0638 11.5512 11.5512 12.7446 12.7446 k = 0.2299 0.3982 0.3097 ( 2516 PWs) bands (ev): -54.5159 -54.5159 -28.8242 -28.8242 -21.1527 -21.1527 -21.0800 -21.0800 -4.3165 -4.3165 -4.2184 -4.2184 3.2887 3.2887 3.5536 3.5536 4.8515 4.8515 5.1442 5.1442 5.4671 5.4671 6.1900 6.1900 9.8657 9.8657 10.0389 10.0389 11.5470 11.5470 12.7284 12.7284 k = 0.2241 0.3882 0.3097 ( 2518 PWs) bands (ev): -54.5161 -54.5161 -28.8234 -28.8234 -21.1504 -21.1504 -21.0784 -21.0784 -4.3298 -4.3298 -4.2418 -4.2418 3.3169 3.3169 3.5463 3.5463 4.8873 4.8873 5.1711 5.1711 5.4533 5.4533 6.2319 6.2319 9.8541 9.8541 10.0160 10.0160 11.5409 11.5409 12.7112 12.7112 k = 0.2184 0.3783 0.3097 ( 2514 PWs) bands (ev): -54.5163 -54.5163 -28.8226 -28.8226 -21.1479 -21.1479 -21.0767 -21.0767 -4.3459 -4.3459 -4.2639 -4.2639 3.3496 3.3496 3.5403 3.5403 4.9174 4.9174 5.1992 5.1992 5.4430 5.4430 6.2723 6.2723 9.8419 9.8419 9.9951 9.9951 11.5341 11.5341 12.6923 12.6923 k = 0.2126 0.3683 0.3097 ( 2510 PWs) bands (ev): -54.5164 -54.5164 -28.8216 -28.8216 -21.1452 -21.1452 -21.0749 -21.0749 -4.3661 -4.3661 -4.2834 -4.2834 3.3864 3.3864 3.5357 3.5357 4.9411 4.9411 5.2277 5.2277 5.4380 5.4380 6.3111 6.3111 9.8291 9.8291 9.9761 9.9761 11.5277 11.5277 12.6714 12.6714 k = 0.2069 0.3584 0.3097 ( 2514 PWs) bands (ev): -54.5166 -54.5166 -28.8207 -28.8207 -21.1424 -21.1424 -21.0733 -21.0733 -4.3912 -4.3912 -4.2995 -4.2995 3.4268 3.4268 3.5329 3.5329 4.9575 4.9575 5.2555 5.2555 5.4400 5.4400 6.3479 6.3479 9.8159 9.8159 9.9589 9.9589 11.5224 11.5224 12.6487 12.6487 k = 0.2011 0.3484 0.3097 ( 2518 PWs) bands (ev): -54.5168 -54.5168 -28.8198 -28.8198 -21.1395 -21.1395 -21.0716 -21.0716 -4.4205 -4.4205 -4.3124 -4.3124 3.4696 3.4696 3.5331 3.5331 4.9662 4.9662 5.2818 5.2818 5.4507 5.4507 6.3824 6.3824 9.8025 9.8025 9.9432 9.9432 11.5182 11.5182 12.6247 12.6247 k = 0.1954 0.3384 0.3097 ( 2522 PWs) bands (ev): -54.5170 -54.5170 -28.8189 -28.8189 -21.1364 -21.1364 -21.0698 -21.0698 -4.4533 -4.4533 -4.3229 -4.3229 3.5087 3.5087 3.5419 3.5419 4.9674 4.9674 5.3059 5.3059 5.4709 5.4709 6.4143 6.4143 9.7891 9.7891 9.9286 9.9286 11.5152 11.5152 12.6002 12.6002 k = 0.1897 0.3285 0.3097 ( 2528 PWs) bands (ev): -54.5172 -54.5172 -28.8179 -28.8179 -21.1333 -21.1333 -21.0680 -21.0680 -4.4885 -4.4885 -4.3318 -4.3318 3.5253 3.5253 3.5777 3.5777 4.9618 4.9618 5.3275 5.3275 5.5002 5.5002 6.4433 6.4433 9.7761 9.7761 9.9150 9.9150 11.5129 11.5129 12.5762 12.5762 k = 0.1839 0.3185 0.3097 ( 2528 PWs) bands (ev): -54.5174 -54.5174 -28.8169 -28.8169 -21.1300 -21.1300 -21.0662 -21.0662 -4.5255 -4.5255 -4.3396 -4.3396 3.5324 3.5324 3.6271 3.6271 4.9510 4.9510 5.3471 5.3471 5.5373 5.5373 6.4691 6.4691 9.7636 9.7636 9.9022 9.9022 11.5107 11.5107 12.5537 12.5537 k = 0.1782 0.3086 0.3097 ( 2528 PWs) bands (ev): -54.5176 -54.5176 -28.8158 -28.8158 -21.1268 -21.1268 -21.0642 -21.0642 -4.5639 -4.5639 -4.3466 -4.3466 3.5400 3.5400 3.6795 3.6795 4.9364 4.9364 5.3652 5.3652 5.5807 5.5807 6.4914 6.4914 9.7519 9.7519 9.8899 9.8899 11.5075 11.5075 12.5340 12.5340 k = 0.1724 0.2986 0.3097 ( 2528 PWs) bands (ev): -54.5178 -54.5178 -28.8147 -28.8147 -21.1235 -21.1235 -21.0622 -21.0622 -4.6033 -4.6033 -4.3530 -4.3530 3.5496 3.5496 3.7327 3.7327 4.9197 4.9197 5.3824 5.3824 5.6291 5.6291 6.5100 6.5100 9.7409 9.7409 9.8781 9.8781 11.5024 11.5024 12.5179 12.5179 k = 0.1667 0.2887 0.3097 ( 2532 PWs) bands (ev): -54.5180 -54.5180 -28.8137 -28.8137 -21.1202 -21.1202 -21.0601 -21.0601 -4.6434 -4.6434 -4.3589 -4.3589 3.5615 3.5615 3.7854 3.7854 4.9022 4.9022 5.3993 5.3993 5.6813 5.6813 6.5246 6.5246 9.7308 9.7308 9.8667 9.8667 11.4944 11.4944 12.5064 12.5064 k = 0.1609 0.2787 0.3097 ( 2536 PWs) bands (ev): -54.5182 -54.5182 -28.8126 -28.8126 -21.1170 -21.1170 -21.0579 -21.0579 -4.6839 -4.6839 -4.3644 -4.3644 3.5759 3.5759 3.8364 3.8364 4.8852 4.8852 5.4164 5.4164 5.7367 5.7367 6.5350 6.5350 9.7213 9.7213 9.8556 9.8556 11.4824 11.4824 12.4998 12.4998 k = 0.1552 0.2688 0.3097 ( 2536 PWs) bands (ev): -54.5184 -54.5184 -28.8115 -28.8115 -21.1139 -21.1139 -21.0555 -21.0555 -4.7247 -4.7247 -4.3695 -4.3695 3.5929 3.5929 3.8843 3.8843 4.8698 4.8698 5.4345 5.4345 5.7946 5.7946 6.5411 6.5411 9.7124 9.7124 9.8447 9.8447 11.4656 11.4656 12.4967 12.4967 k = 0.1494 0.2588 0.3097 ( 2532 PWs) bands (ev): -54.5186 -54.5186 -28.8103 -28.8103 -21.1108 -21.1108 -21.0530 -21.0530 -4.7656 -4.7656 -4.3743 -4.3743 3.6127 3.6127 3.9279 3.9279 4.8569 4.8569 5.4545 5.4545 5.8544 5.8544 6.5428 6.5428 9.7039 9.7039 9.8338 9.8338 11.4437 11.4437 12.4887 12.4887 k = 0.1437 0.2489 0.3097 ( 2524 PWs) bands (ev): -54.5188 -54.5188 -28.8091 -28.8091 -21.1079 -21.1079 -21.0502 -21.0502 -4.8064 -4.8064 -4.3789 -4.3789 3.6352 3.6352 3.9658 3.9658 4.8471 4.8471 5.4774 5.4774 5.9158 5.9158 6.5401 6.5401 9.6956 9.6956 9.8228 9.8228 11.4163 11.4163 12.4588 12.4588 k = 0.1379 0.2389 0.3097 ( 2532 PWs) bands (ev): -54.5191 -54.5191 -28.8081 -28.8081 -21.1053 -21.1053 -21.0474 -21.0474 -4.8469 -4.8469 -4.3832 -4.3832 3.6604 3.6604 3.9970 3.9970 4.8407 4.8407 5.5042 5.5042 5.9783 5.9783 6.5329 6.5329 9.6872 9.6872 9.8116 9.8116 11.3836 11.3836 12.4183 12.4183 k = 0.1322 0.2289 0.3097 ( 2528 PWs) bands (ev): -54.5193 -54.5193 -28.8070 -28.8070 -21.1028 -21.1028 -21.0443 -21.0443 -4.8869 -4.8869 -4.3872 -4.3872 3.6885 3.6885 4.0207 4.0207 4.8375 4.8375 5.5361 5.5361 6.0414 6.0414 6.5215 6.5215 9.6783 9.6783 9.7999 9.7999 11.3458 11.3458 12.3809 12.3809 k = 0.1264 0.2190 0.3097 ( 2528 PWs) bands (ev): -54.5195 -54.5195 -28.8059 -28.8059 -21.1005 -21.1005 -21.0411 -21.0411 -4.9263 -4.9263 -4.3910 -4.3910 3.7194 3.7194 4.0366 4.0366 4.8370 4.8370 5.5743 5.5743 6.1045 6.1045 6.5063 6.5063 9.6689 9.6689 9.7876 9.7876 11.3032 11.3032 12.3504 12.3504 k = 0.1207 0.2090 0.3097 ( 2528 PWs) bands (ev): -54.5197 -54.5197 -28.8048 -28.8048 -21.0984 -21.0984 -21.0378 -21.0378 -4.9650 -4.9650 -4.3946 -4.3946 3.7531 3.7531 4.0451 4.0451 4.8382 4.8382 5.6194 5.6194 6.1664 6.1664 6.4882 6.4882 9.6585 9.6585 9.7747 9.7747 11.2563 11.2563 12.3281 12.3281 k = 0.1149 0.1991 0.3097 ( 2524 PWs) bands (ev): -54.5199 -54.5199 -28.8037 -28.8037 -21.0965 -21.0965 -21.0344 -21.0344 -5.0028 -5.0028 -4.3980 -4.3980 3.7895 3.7895 4.0469 4.0469 4.8400 4.8400 5.6720 5.6720 6.2250 6.2250 6.4693 6.4693 9.6469 9.6469 9.7611 9.7611 11.2054 11.2054 12.3146 12.3146 k = 0.1092 0.1891 0.3097 ( 2520 PWs) bands (ev): -54.5201 -54.5201 -28.8026 -28.8026 -21.0948 -21.0948 -21.0308 -21.0308 -5.0396 -5.0396 -4.4012 -4.4012 3.8286 3.8286 4.0429 4.0429 4.8414 4.8414 5.7321 5.7321 6.2746 6.2746 6.4551 6.4551 9.6340 9.6340 9.7469 9.7469 11.1510 11.1510 12.3101 12.3101 k = 0.1034 0.1792 0.3097 ( 2524 PWs) bands (ev): -54.5203 -54.5203 -28.8016 -28.8016 -21.0933 -21.0933 -21.0272 -21.0272 -5.0752 -5.0752 -4.4043 -4.4043 3.8704 3.8704 4.0343 4.0343 4.8418 4.8418 5.7991 5.7991 6.3020 6.3020 6.4591 6.4591 9.6195 9.6195 9.7320 9.7320 11.0936 11.0936 12.3147 12.3147 k = 0.0977 0.1692 0.3097 ( 2524 PWs) bands (ev): -54.5205 -54.5205 -28.8006 -28.8006 -21.0920 -21.0920 -21.0236 -21.0236 -5.1096 -5.1096 -4.4071 -4.4071 3.9147 3.9147 4.0222 4.0222 4.8408 4.8408 5.8719 5.8719 6.2971 6.2971 6.4917 6.4917 9.6034 9.6034 9.7164 9.7164 11.0335 11.0335 12.3282 12.3282 k = 0.0920 0.1593 0.3097 ( 2524 PWs) bands (ev): -54.5206 -54.5206 -28.7997 -28.7997 -21.0908 -21.0908 -21.0200 -21.0200 -5.1426 -5.1426 -4.4098 -4.4098 3.9611 3.9611 4.0079 4.0079 4.8381 4.8381 5.9485 5.9485 6.2718 6.2718 6.5419 6.5419 9.5858 9.5858 9.7002 9.7002 10.9713 10.9713 12.3503 12.3503 k = 0.0862 0.1493 0.3097 ( 2528 PWs) bands (ev): -54.5208 -54.5208 -28.7988 -28.7988 -21.0898 -21.0898 -21.0164 -21.0164 -5.1742 -5.1742 -4.4123 -4.4123 3.9885 3.9885 4.0131 4.0131 4.8339 4.8339 6.0237 6.0237 6.2418 6.2418 6.5984 6.5984 9.5670 9.5670 9.6833 9.6833 10.9075 10.9075 12.3803 12.3803 k = 0.0805 0.1394 0.3097 ( 2522 PWs) bands (ev): -54.5210 -54.5210 -28.7979 -28.7979 -21.0889 -21.0889 -21.0129 -21.0129 -5.2041 -5.2041 -4.4146 -4.4146 3.9721 3.9721 4.0634 4.0634 4.8285 4.8285 6.0792 6.0792 6.2289 6.2289 6.6565 6.6565 9.5471 9.5471 9.6654 9.6654 10.8427 10.8427 12.4177 12.4177 k = 0.0747 0.1294 0.3097 ( 2526 PWs) bands (ev): -54.5211 -54.5211 -28.7971 -28.7971 -21.0881 -21.0881 -21.0095 -21.0095 -5.2325 -5.2325 -4.4168 -4.4168 3.9541 3.9541 4.1168 4.1168 4.8220 4.8220 6.0782 6.0782 6.2705 6.2705 6.7142 6.7142 9.5266 9.5266 9.6463 9.6463 10.7778 10.7778 12.4617 12.4617 k = 0.0690 0.1195 0.3097 ( 2526 PWs) bands (ev): -54.5213 -54.5213 -28.7963 -28.7963 -21.0875 -21.0875 -21.0062 -21.0062 -5.2590 -5.2590 -4.4188 -4.4188 3.9359 3.9359 4.1722 4.1722 4.8148 4.8148 6.0386 6.0386 6.3490 6.3490 6.7706 6.7706 9.5059 9.5059 9.6259 9.6259 10.7134 10.7134 12.5116 12.5116 k = 0.0632 0.1095 0.3097 ( 2526 PWs) bands (ev): -54.5214 -54.5214 -28.7956 -28.7956 -21.0869 -21.0869 -21.0031 -21.0031 -5.2837 -5.2837 -4.4207 -4.4207 3.9180 3.9180 4.2293 4.2293 4.8071 4.8071 5.9865 5.9865 6.4375 6.4375 6.8250 6.8250 9.4855 9.4855 9.6038 9.6038 10.6504 10.6504 12.5664 12.5664 k = 0.0575 0.0995 0.3097 ( 2534 PWs) bands (ev): -54.5216 -54.5216 -28.7950 -28.7950 -21.0865 -21.0865 -21.0002 -21.0002 -5.3066 -5.3066 -4.4224 -4.4224 3.9008 3.9008 4.2877 4.2877 4.7993 4.7993 5.9292 5.9292 6.5281 6.5281 6.8769 6.8769 9.4656 9.4656 9.5800 9.5800 10.5898 10.5898 12.6254 12.6254 k = 0.0517 0.0896 0.3097 ( 2526 PWs) bands (ev): -54.5217 -54.5217 -28.7943 -28.7943 -21.0860 -21.0860 -20.9974 -20.9974 -5.3274 -5.3274 -4.4239 -4.4239 3.8846 3.8846 4.3470 4.3470 4.7916 4.7916 5.8691 5.8691 6.6178 6.6178 6.9261 6.9261 9.4467 9.4467 9.5543 9.5543 10.5325 10.5325 12.6877 12.6877 k = 0.0460 0.0796 0.3097 ( 2530 PWs) bands (ev): -54.5218 -54.5218 -28.7938 -28.7938 -21.0856 -21.0856 -20.9950 -20.9950 -5.3463 -5.3463 -4.4253 -4.4253 3.8696 3.8696 4.4068 4.4068 4.7843 4.7843 5.8076 5.8076 6.7042 6.7042 6.9723 6.9723 9.4291 9.4291 9.5269 9.5269 10.4794 10.4794 12.7523 12.7523 k = 0.0402 0.0697 0.3097 ( 2526 PWs) bands (ev): -54.5219 -54.5219 -28.7933 -28.7933 -21.0853 -21.0853 -20.9927 -20.9927 -5.3630 -5.3630 -4.4265 -4.4265 3.8560 3.8560 4.4664 4.4664 4.7774 4.7774 5.7458 5.7458 6.7855 6.7855 7.0153 7.0153 9.4130 9.4130 9.4984 9.4984 10.4314 10.4314 12.8185 12.8185 k = 0.0345 0.0597 0.3097 ( 2526 PWs) bands (ev): -54.5219 -54.5219 -28.7928 -28.7928 -21.0851 -21.0851 -20.9907 -20.9907 -5.3776 -5.3776 -4.4276 -4.4276 3.8439 3.8439 4.5248 4.5248 4.7713 4.7713 5.6849 5.6849 6.8595 6.8595 7.0553 7.0553 9.3986 9.3986 9.4693 9.4693 10.3890 10.3890 12.8851 12.8851 k = 0.0287 0.0498 0.3097 ( 2526 PWs) bands (ev): -54.5220 -54.5220 -28.7924 -28.7924 -21.0848 -21.0848 -20.9890 -20.9890 -5.3900 -5.3900 -4.4285 -4.4285 3.8334 3.8334 4.5808 4.5808 4.7661 4.7661 5.6263 5.6263 6.9240 6.9240 7.0923 7.0923 9.3859 9.3859 9.4410 9.4410 10.3528 10.3528 12.9513 12.9513 k = 0.0230 0.0398 0.3097 ( 2520 PWs) bands (ev): -54.5221 -54.5221 -28.7921 -28.7921 -21.0846 -21.0846 -20.9876 -20.9876 -5.4002 -5.4002 -4.4292 -4.4292 3.8248 3.8248 4.6326 4.6326 4.7621 4.7621 5.5718 5.5718 6.9770 6.9770 7.1262 7.1262 9.3751 9.3751 9.4149 9.4149 10.3232 10.3232 13.0154 13.0154 k = 0.0172 0.0299 0.3097 ( 2516 PWs) bands (ev): -54.5221 -54.5221 -28.7918 -28.7918 -21.0845 -21.0845 -20.9864 -20.9864 -5.4082 -5.4082 -4.4298 -4.4298 3.8179 3.8179 4.6774 4.6774 4.7599 4.7599 5.5238 5.5238 7.0174 7.0174 7.1561 7.1561 9.3658 9.3658 9.3930 9.3930 10.3001 10.3001 13.0749 13.0749 k = 0.0115 0.0199 0.3097 ( 2512 PWs) bands (ev): -54.5221 -54.5221 -28.7916 -28.7916 -21.0844 -21.0844 -20.9856 -20.9856 -5.4139 -5.4139 -4.4302 -4.4302 3.8130 3.8130 4.7110 4.7110 4.7606 4.7606 5.4854 5.4854 7.0452 7.0452 7.1801 7.1801 9.3576 9.3576 9.3774 9.3774 10.2837 10.2837 13.1249 13.1249 k = 0.0057 0.0100 0.3097 ( 2512 PWs) bands (ev): -54.5221 -54.5221 -28.7915 -28.7915 -21.0843 -21.0843 -20.9851 -20.9851 -5.4174 -5.4174 -4.4305 -4.4305 3.8101 3.8101 4.7289 4.7289 4.7654 4.7654 5.4602 5.4602 7.0612 7.0612 7.1958 7.1958 9.3510 9.3510 9.3691 9.3691 10.2739 10.2739 13.1566 13.1566 k = 0.0000 0.0000 0.3097 ( 2508 PWs) bands (ev): -54.5221 -54.5221 -28.7914 -28.7914 -21.0843 -21.0843 -20.9849 -20.9849 -5.4185 -5.4185 -4.4305 -4.4305 3.8091 3.8091 4.7334 4.7334 4.7689 4.7689 5.4514 5.4514 7.0664 7.0664 7.2013 7.2013 9.3483 9.3483 9.3666 9.3666 10.2706 10.2706 13.1663 13.1663 k = 0.5000 0.2887 0.3097 ( 2508 PWs) bands (ev): -54.5155 -54.5155 -28.8267 -28.8267 -21.1842 -21.1842 -21.0595 -21.0595 -4.4905 -4.4905 -3.8939 -3.8939 2.4416 2.4416 3.8603 3.8603 4.8017 4.8017 5.0358 5.0358 6.2794 6.2794 6.5773 6.5773 8.4313 8.4313 11.3979 11.3979 11.6954 11.6954 12.9644 12.9644 k = 0.5000 0.2887 0.2982 ( 2508 PWs) bands (ev): -54.5155 -54.5155 -28.8267 -28.8267 -21.1842 -21.1842 -21.0595 -21.0595 -4.4902 -4.4902 -3.8942 -3.8942 2.4421 2.4421 3.8614 3.8614 4.8023 4.8023 5.0356 5.0356 6.2780 6.2780 6.5742 6.5742 8.4322 8.4322 11.3979 11.3979 11.6953 11.6953 12.9641 12.9641 k = 0.5000 0.2887 0.2867 ( 2512 PWs) bands (ev): -54.5155 -54.5155 -28.8268 -28.8268 -21.1842 -21.1842 -21.0595 -21.0595 -4.4895 -4.4895 -3.8954 -3.8954 2.4435 2.4435 3.8648 3.8648 4.8038 4.8038 5.0349 5.0349 6.2739 6.2739 6.5651 6.5651 8.4351 8.4351 11.3978 11.3978 11.6950 11.6950 12.9634 12.9634 k = 0.5000 0.2887 0.2753 ( 2502 PWs) bands (ev): -54.5154 -54.5154 -28.8267 -28.8267 -21.1841 -21.1841 -21.0594 -21.0594 -4.4881 -4.4881 -3.8972 -3.8972 2.4458 2.4458 3.8705 3.8705 4.8063 4.8063 5.0338 5.0338 6.2670 6.2670 6.5502 6.5502 8.4396 8.4396 11.3977 11.3977 11.6946 11.6946 12.9625 12.9625 k = 0.5000 0.2887 0.2638 ( 2502 PWs) bands (ev): -54.5154 -54.5154 -28.8267 -28.8267 -21.1841 -21.1841 -21.0594 -21.0594 -4.4863 -4.4863 -3.8998 -3.8998 2.4490 2.4490 3.8785 3.8785 4.8099 4.8099 5.0322 5.0322 6.2571 6.2571 6.5301 6.5301 8.4458 8.4458 11.3975 11.3975 11.6940 11.6940 12.9622 12.9622 k = 0.5000 0.2887 0.2523 ( 2504 PWs) bands (ev): -54.5155 -54.5155 -28.8267 -28.8267 -21.1841 -21.1841 -21.0595 -21.0595 -4.4840 -4.4840 -3.9031 -3.9031 2.4530 2.4530 3.8887 3.8887 4.8144 4.8144 5.0302 5.0302 6.2440 6.2440 6.5053 6.5053 8.4533 8.4533 11.3973 11.3973 11.6933 11.6933 12.9630 12.9630 k = 0.5000 0.2887 0.2409 ( 2504 PWs) bands (ev): -54.5155 -54.5155 -28.8267 -28.8267 -21.1841 -21.1841 -21.0595 -21.0595 -4.4812 -4.4812 -3.9071 -3.9071 2.4577 2.4577 3.9014 3.9014 4.8198 4.8198 5.0278 5.0278 6.2273 6.2273 6.4768 6.4768 8.4618 8.4618 11.3970 11.3970 11.6924 11.6924 12.9654 12.9654 k = 0.5000 0.2887 0.2294 ( 2500 PWs) bands (ev): -54.5154 -54.5154 -28.8267 -28.8267 -21.1841 -21.1841 -21.0594 -21.0594 -4.4779 -4.4779 -3.9117 -3.9117 2.4631 2.4631 3.9163 3.9163 4.8261 4.8261 5.0250 5.0250 6.2065 6.2065 6.4456 6.4456 8.4711 8.4711 11.3967 11.3967 11.6915 11.6915 12.9702 12.9702 k = 0.5000 0.2887 0.2179 ( 2500 PWs) bands (ev): -54.5154 -54.5154 -28.8267 -28.8267 -21.1841 -21.1841 -21.0594 -21.0594 -4.4742 -4.4742 -3.9169 -3.9169 2.4690 2.4690 3.9337 3.9337 4.8332 4.8332 5.0218 5.0218 6.1811 6.1811 6.4129 6.4129 8.4809 8.4809 11.3963 11.3963 11.6905 11.6905 12.9777 12.9777 k = 0.5000 0.2887 0.2065 ( 2500 PWs) bands (ev): -54.5154 -54.5154 -28.8266 -28.8266 -21.1841 -21.1841 -21.0594 -21.0594 -4.4700 -4.4700 -3.9226 -3.9226 2.4754 2.4754 3.9535 3.9535 4.8411 4.8411 5.0183 5.0183 6.1504 6.1504 6.3802 6.3802 8.4908 8.4908 11.3958 11.3958 11.6896 11.6896 12.9884 12.9884 k = 0.5000 0.2887 0.1950 ( 2504 PWs) bands (ev): -54.5154 -54.5154 -28.8267 -28.8267 -21.1841 -21.1841 -21.0595 -21.0595 -4.4655 -4.4655 -3.9288 -3.9288 2.4822 2.4822 3.9757 3.9757 4.8496 4.8496 5.0145 5.0145 6.1141 6.1141 6.3484 6.3484 8.5007 8.5007 11.3954 11.3954 11.6886 11.6886 13.0025 13.0025 k = 0.5000 0.2887 0.1835 ( 2504 PWs) bands (ev): -54.5154 -54.5154 -28.8267 -28.8267 -21.1841 -21.1841 -21.0594 -21.0594 -4.4607 -4.4607 -3.9355 -3.9355 2.4892 2.4892 4.0004 4.0004 4.8587 4.8587 5.0104 5.0104 6.0720 6.0720 6.3183 6.3183 8.5104 8.5104 11.3948 11.3948 11.6877 11.6877 13.0202 13.0202 k = 0.5000 0.2887 0.1720 ( 2508 PWs) bands (ev): -54.5155 -54.5155 -28.8267 -28.8267 -21.1842 -21.1842 -21.0594 -21.0594 -4.4555 -4.4555 -3.9425 -3.9425 2.4964 2.4964 4.0275 4.0275 4.8684 4.8684 5.0059 5.0059 6.0247 6.0247 6.2903 6.2903 8.5196 8.5196 11.3943 11.3943 11.6868 11.6868 13.0418 13.0418 k = 0.5000 0.2887 0.1606 ( 2504 PWs) bands (ev): -54.5154 -54.5154 -28.8267 -28.8267 -21.1841 -21.1841 -21.0594 -21.0594 -4.4501 -4.4501 -3.9498 -3.9498 2.5036 2.5036 4.0569 4.0569 4.8784 4.8784 5.0012 5.0012 5.9728 5.9728 6.2643 6.2643 8.5281 8.5281 11.3937 11.3937 11.6860 11.6860 13.0671 13.0671 k = 0.5000 0.2887 0.1491 ( 2506 PWs) bands (ev): -54.5155 -54.5155 -28.8267 -28.8267 -21.1841 -21.1841 -21.0594 -21.0594 -4.4445 -4.4445 -3.9572 -3.9572 2.5107 2.5107 4.0887 4.0887 4.8886 4.8886 4.9962 4.9962 5.9175 5.9175 6.2401 6.2401 8.5361 8.5361 11.3932 11.3932 11.6853 11.6853 13.0961 13.0961 k = 0.5000 0.2887 0.1376 ( 2510 PWs) bands (ev): -54.5155 -54.5155 -28.8267 -28.8267 -21.1842 -21.1842 -21.0594 -21.0594 -4.4388 -4.4388 -3.9648 -3.9648 2.5176 2.5176 4.1227 4.1227 4.8988 4.8988 4.9909 4.9909 5.8596 5.8596 6.2174 6.2174 8.5432 8.5432 11.3926 11.3926 11.6847 11.6847 13.1289 13.1289 k = 0.5000 0.2887 0.1262 ( 2510 PWs) bands (ev): -54.5155 -54.5155 -28.8267 -28.8267 -21.1842 -21.1842 -21.0594 -21.0594 -4.4330 -4.4330 -3.9725 -3.9725 2.5243 2.5243 4.1588 4.1588 4.9089 4.9089 4.9854 4.9854 5.8003 5.8003 6.1962 6.1962 8.5496 8.5496 11.3920 11.3920 11.6841 11.6841 13.1651 13.1651 k = 0.5000 0.2887 0.1147 ( 2510 PWs) bands (ev): -54.5155 -54.5155 -28.8267 -28.8267 -21.1842 -21.1842 -21.0594 -21.0594 -4.4273 -4.4273 -3.9800 -3.9800 2.5307 2.5307 4.1968 4.1968 4.9185 4.9185 4.9796 4.9796 5.7404 5.7404 6.1763 6.1763 8.5552 8.5552 11.3915 11.3915 11.6837 11.6837 13.2045 13.2045 k = 0.5000 0.2887 0.1032 ( 2516 PWs) bands (ev): -54.5155 -54.5155 -28.8268 -28.8268 -21.1842 -21.1842 -21.0595 -21.0595 -4.4216 -4.4216 -3.9873 -3.9873 2.5366 2.5366 4.2364 4.2364 4.9269 4.9269 4.9739 4.9739 5.6810 5.6810 6.1578 6.1578 8.5600 8.5600 11.3910 11.3910 11.6833 11.6833 13.2468 13.2468 k = 0.5000 0.2887 0.0918 ( 2516 PWs) bands (ev): -54.5155 -54.5155 -28.8268 -28.8268 -21.1842 -21.1842 -21.0595 -21.0595 -4.4162 -4.4162 -3.9943 -3.9943 2.5421 2.5421 4.2773 4.2773 4.9330 4.9330 4.9692 4.9692 5.6231 5.6231 6.1407 6.1407 8.5641 8.5641 11.3905 11.3905 11.6830 11.6830 13.2915 13.2915 k = 0.5000 0.2887 0.0803 ( 2514 PWs) bands (ev): -54.5155 -54.5155 -28.8268 -28.8268 -21.1842 -21.1842 -21.0595 -21.0595 -4.4110 -4.4110 -4.0009 -4.0009 2.5470 2.5470 4.3191 4.3191 4.9343 4.9343 4.9676 4.9676 5.5677 5.5677 6.1251 6.1251 8.5675 8.5675 11.3901 11.3901 11.6828 11.6828 13.3381 13.3381 k = 0.5000 0.2887 0.0688 ( 2516 PWs) bands (ev): -54.5155 -54.5155 -28.8268 -28.8268 -21.1842 -21.1842 -21.0595 -21.0595 -4.4062 -4.4062 -4.0070 -4.0070 2.5513 2.5513 4.3609 4.3609 4.9294 4.9294 4.9701 4.9701 5.5160 5.5160 6.1112 6.1112 8.5704 8.5704 11.3897 11.3897 11.6826 11.6826 13.3859 13.3859 k = 0.5000 0.2887 0.0573 ( 2516 PWs) bands (ev): -54.5155 -54.5155 -28.8268 -28.8268 -21.1842 -21.1842 -21.0595 -21.0595 -4.4020 -4.4020 -4.0124 -4.0124 2.5551 2.5551 4.4021 4.4021 4.9198 4.9198 4.9749 4.9749 5.4693 5.4693 6.0990 6.0990 8.5726 8.5726 11.3894 11.3894 11.6825 11.6825 13.4338 13.4338 k = 0.5000 0.2887 0.0459 ( 2518 PWs) bands (ev): -54.5155 -54.5155 -28.8268 -28.8268 -21.1842 -21.1842 -21.0595 -21.0595 -4.3983 -4.3983 -4.0169 -4.0169 2.5582 2.5582 4.4411 4.4411 4.9076 4.9076 4.9799 4.9799 5.4288 5.4288 6.0889 6.0889 8.5744 8.5744 11.3891 11.3891 11.6824 11.6824 13.4806 13.4806 k = 0.5000 0.2887 0.0344 ( 2510 PWs) bands (ev): -54.5155 -54.5155 -28.8268 -28.8268 -21.1842 -21.1842 -21.0594 -21.0594 -4.3954 -4.3954 -4.0206 -4.0206 2.5606 2.5606 4.4763 4.4763 4.8942 4.8942 4.9844 4.9844 5.3959 5.3959 6.0808 6.0808 8.5757 8.5757 11.3889 11.3889 11.6823 11.6823 13.5242 13.5242 k = 0.5000 0.2887 0.0229 ( 2506 PWs) bands (ev): -54.5155 -54.5155 -28.8267 -28.8267 -21.1842 -21.1842 -21.0594 -21.0594 -4.3932 -4.3932 -4.0234 -4.0234 2.5623 2.5623 4.5052 4.5052 4.8816 4.8816 4.9878 4.9878 5.3716 5.3716 6.0749 6.0749 8.5766 8.5766 11.3888 11.3888 11.6823 11.6823 13.5614 13.5614 k = 0.5000 0.2887 0.0115 ( 2514 PWs) bands (ev): -54.5155 -54.5155 -28.8268 -28.8268 -21.1842 -21.1842 -21.0594 -21.0594 -4.3919 -4.3919 -4.0250 -4.0250 2.5634 2.5634 4.5245 4.5245 4.8722 4.8722 4.9899 4.9899 5.3566 5.3566 6.0714 6.0714 8.5771 8.5771 11.3887 11.3887 11.6822 11.6822 13.5874 13.5874 k = 0.5000 0.2887-0.0000 ( 2518 PWs) bands (ev): -54.5155 -54.5155 -28.8268 -28.8268 -21.1842 -21.1842 -21.0595 -21.0595 -4.3914 -4.3914 -4.0256 -4.0256 2.5637 2.5637 4.5314 4.5314 4.8687 4.8687 4.9906 4.9906 5.3516 5.3516 6.0702 6.0702 8.5772 8.5772 11.3886 11.3886 11.6822 11.6822 13.5970 13.5970 k = 0.3333 0.5774-0.0000 ( 2496 PWs) bands (ev): -54.5146 -54.5146 -28.8309 -28.8309 -21.1643 -21.1643 -21.1020 -21.1020 -4.1539 -4.1539 -4.0628 -4.0628 3.3663 3.3663 3.8143 3.8143 3.9439 3.9439 5.1706 5.1706 5.2595 5.2595 5.7774 5.7774 10.0179 10.0179 10.9537 10.9537 11.2165 11.2165 12.9803 12.9803 k = 0.3333 0.5774 0.0115 ( 2499 PWs) bands (ev): -54.5146 -54.5146 -28.8309 -28.8309 -21.1643 -21.1643 -21.1021 -21.1021 -4.1539 -4.1539 -4.0628 -4.0628 3.3673 3.3673 3.8133 3.8133 3.9433 3.9433 5.1721 5.1721 5.2607 5.2607 5.7755 5.7755 10.0186 10.0186 10.9523 10.9523 11.2148 11.2148 12.9826 12.9826 k = 0.3333 0.5774 0.0229 ( 2499 PWs) bands (ev): -54.5146 -54.5146 -28.8309 -28.8309 -21.1643 -21.1643 -21.1021 -21.1021 -4.1539 -4.1539 -4.0628 -4.0628 3.3700 3.3700 3.8104 3.8104 3.9413 3.9413 5.1766 5.1766 5.2642 5.2642 5.7700 5.7700 10.0208 10.0208 10.9480 10.9480 11.2100 11.2100 12.9894 12.9894 k = 0.3333 0.5774 0.0344 ( 2499 PWs) bands (ev): -54.5146 -54.5146 -28.8309 -28.8309 -21.1643 -21.1643 -21.1021 -21.1021 -4.1539 -4.1539 -4.0629 -4.0629 3.3746 3.3746 3.8057 3.8057 3.9380 3.9380 5.1839 5.1839 5.2700 5.2700 5.7609 5.7609 10.0244 10.0244 10.9411 10.9411 11.2020 11.2020 13.0008 13.0008 k = 0.3333 0.5774 0.0459 ( 2508 PWs) bands (ev): -54.5146 -54.5146 -28.8310 -28.8310 -21.1643 -21.1643 -21.1022 -21.1022 -4.1540 -4.1540 -4.0630 -4.0630 3.3810 3.3810 3.7992 3.7992 3.9336 3.9336 5.1940 5.1940 5.2780 5.2780 5.7483 5.7483 10.0293 10.0293 10.9316 10.9316 11.1911 11.1911 13.0163 13.0163 k = 0.3333 0.5774 0.0573 ( 2508 PWs) bands (ev): -54.5146 -54.5146 -28.8310 -28.8310 -21.1643 -21.1643 -21.1022 -21.1022 -4.1540 -4.1540 -4.0631 -4.0631 3.3891 3.3891 3.7912 3.7912 3.9280 3.9280 5.2065 5.2065 5.2880 5.2880 5.7323 5.7323 10.0354 10.0354 10.9196 10.9196 11.1775 11.1775 13.0359 13.0359 k = 0.3333 0.5774 0.0688 ( 2508 PWs) bands (ev): -54.5146 -54.5146 -28.8310 -28.8310 -21.1643 -21.1643 -21.1022 -21.1022 -4.1540 -4.1540 -4.0632 -4.0632 3.3989 3.3989 3.7818 3.7818 3.9215 3.9215 5.2212 5.2212 5.2999 5.2999 5.7133 5.7133 10.0427 10.0427 10.9055 10.9055 11.1616 11.1616 13.0592 13.0592 k = 0.3333 0.5774 0.0803 ( 2511 PWs) bands (ev): -54.5146 -54.5146 -28.8311 -28.8311 -21.1644 -21.1644 -21.1022 -21.1022 -4.1540 -4.1540 -4.0634 -4.0634 3.4104 3.4104 3.7712 3.7712 3.9141 3.9141 5.2379 5.2379 5.3135 5.3135 5.6915 5.6915 10.0510 10.0510 10.8894 10.8894 11.1435 11.1435 13.0859 13.0859 k = 0.3333 0.5774 0.0918 ( 2508 PWs) bands (ev): -54.5146 -54.5146 -28.8310 -28.8310 -21.1644 -21.1644 -21.1021 -21.1021 -4.1541 -4.1541 -4.0636 -4.0636 3.4234 3.4234 3.7597 3.7597 3.9060 3.9060 5.2561 5.2561 5.3285 5.3285 5.6671 5.6671 10.0601 10.0601 10.8717 10.8717 11.1237 11.1237 13.1155 13.1155 k = 0.3333 0.5774 0.1032 ( 2508 PWs) bands (ev): -54.5146 -54.5146 -28.8310 -28.8310 -21.1643 -21.1643 -21.1022 -21.1022 -4.1541 -4.1541 -4.0638 -4.0638 3.4378 3.4378 3.7474 3.7474 3.8974 3.8974 5.2755 5.2755 5.3447 5.3447 5.6405 5.6405 10.0700 10.0700 10.8526 10.8526 11.1026 11.1026 13.1478 13.1478 k = 0.3333 0.5774 0.1147 ( 2514 PWs) bands (ev): -54.5146 -54.5146 -28.8311 -28.8311 -21.1643 -21.1643 -21.1023 -21.1023 -4.1541 -4.1541 -4.0640 -4.0640 3.4536 3.4536 3.7346 3.7346 3.8883 3.8883 5.2956 5.2956 5.3619 5.3619 5.6123 5.6123 10.0804 10.0804 10.8325 10.8325 11.0804 11.0804 13.1824 13.1824 k = 0.3333 0.5774 0.1262 ( 2508 PWs) bands (ev): -54.5146 -54.5146 -28.8310 -28.8310 -21.1642 -21.1642 -21.1023 -21.1023 -4.1542 -4.1542 -4.0642 -4.0642 3.4706 3.4706 3.7215 3.7215 3.8790 3.8790 5.3158 5.3158 5.3799 5.3799 5.5830 5.5830 10.0913 10.0913 10.8116 10.8116 11.0575 11.0575 13.2188 13.2188 k = 0.3333 0.5774 0.1376 ( 2508 PWs) bands (ev): -54.5146 -54.5146 -28.8310 -28.8310 -21.1642 -21.1642 -21.1023 -21.1023 -4.1542 -4.1542 -4.0645 -4.0645 3.4885 3.4885 3.7083 3.7083 3.8695 3.8695 5.3351 5.3351 5.3983 5.3983 5.5536 5.5536 10.1023 10.1023 10.7902 10.7902 11.0342 11.0342 13.2566 13.2566 k = 0.3333 0.5774 0.1491 ( 2520 PWs) bands (ev): -54.5146 -54.5146 -28.8311 -28.8311 -21.1643 -21.1643 -21.1024 -21.1024 -4.1543 -4.1543 -4.0647 -4.0647 3.5073 3.5073 3.6953 3.6953 3.8600 3.8600 5.3523 5.3523 5.4170 5.4170 5.5255 5.5255 10.1134 10.1134 10.7686 10.7686 11.0109 11.0109 13.2955 13.2955 k = 0.3333 0.5774 0.1606 ( 2514 PWs) bands (ev): -54.5146 -54.5146 -28.8311 -28.8311 -21.1643 -21.1643 -21.1023 -21.1023 -4.1543 -4.1543 -4.0650 -4.0650 3.5267 3.5267 3.6826 3.6826 3.8507 3.8507 5.3644 5.3644 5.4357 5.4357 5.5017 5.5017 10.1244 10.1244 10.7472 10.7472 10.9879 10.9879 13.3349 13.3349 k = 0.3333 0.5774 0.1720 ( 2508 PWs) bands (ev): -54.5146 -54.5146 -28.8310 -28.8310 -21.1643 -21.1643 -21.1023 -21.1023 -4.1543 -4.1543 -4.0652 -4.0652 3.5464 3.5464 3.6705 3.6705 3.8416 3.8416 5.3668 5.3668 5.4541 5.4541 5.4870 5.4870 10.1352 10.1352 10.7261 10.7261 10.9655 10.9655 13.3745 13.3745 k = 0.3333 0.5774 0.1835 ( 2517 PWs) bands (ev): -54.5146 -54.5146 -28.8311 -28.8311 -21.1643 -21.1643 -21.1023 -21.1023 -4.1544 -4.1544 -4.0654 -4.0654 3.5659 3.5659 3.6594 3.6594 3.8329 3.8329 5.3560 5.3560 5.4720 5.4720 5.4850 5.4850 10.1456 10.1456 10.7057 10.7057 10.9439 10.9439 13.4138 13.4138 k = 0.3333 0.5774 0.1950 ( 2517 PWs) bands (ev): -54.5146 -54.5146 -28.8311 -28.8311 -21.1643 -21.1643 -21.1023 -21.1023 -4.1544 -4.1544 -4.0657 -4.0657 3.5844 3.5844 3.6499 3.6499 3.8246 3.8246 5.3348 5.3348 5.4891 5.4891 5.4931 5.4931 10.1555 10.1555 10.6862 10.6862 10.9233 10.9233 13.4523 13.4523 k = 0.3333 0.5774 0.2065 ( 2511 PWs) bands (ev): -54.5146 -54.5146 -28.8310 -28.8310 -21.1643 -21.1643 -21.1023 -21.1023 -4.1545 -4.1545 -4.0659 -4.0659 3.5998 3.5998 3.6439 3.6439 3.8168 3.8168 5.3087 5.3087 5.5054 5.5054 5.5060 5.5060 10.1647 10.1647 10.6678 10.6678 10.9041 10.9041 13.4895 13.4895 k = 0.3333 0.5774 0.2179 ( 2511 PWs) bands (ev): -54.5146 -54.5146 -28.8310 -28.8310 -21.1643 -21.1643 -21.1023 -21.1023 -4.1545 -4.1545 -4.0661 -4.0661 3.6073 3.6073 3.6460 3.6460 3.8097 3.8097 5.2814 5.2814 5.5203 5.5203 5.5205 5.5205 10.1733 10.1733 10.6507 10.6507 10.8863 10.8863 13.5249 13.5249 k = 0.3333 0.5774 0.2294 ( 2511 PWs) bands (ev): -54.5146 -54.5146 -28.8310 -28.8310 -21.1643 -21.1643 -21.1023 -21.1023 -4.1545 -4.1545 -4.0663 -4.0663 3.6058 3.6058 3.6571 3.6571 3.8033 3.8033 5.2545 5.2545 5.5343 5.5343 5.5346 5.5346 10.1810 10.1810 10.6351 10.6351 10.8703 10.8703 13.5580 13.5580 k = 0.3333 0.5774 0.2409 ( 2514 PWs) bands (ev): -54.5146 -54.5146 -28.8310 -28.8310 -21.1643 -21.1643 -21.1023 -21.1023 -4.1546 -4.1546 -4.0664 -4.0664 3.6008 3.6008 3.6713 3.6713 3.7976 3.7976 5.2294 5.2294 5.5467 5.5467 5.5479 5.5479 10.1878 10.1878 10.6213 10.6213 10.8560 10.8560 13.5882 13.5882 k = 0.3333 0.5774 0.2523 ( 2505 PWs) bands (ev): -54.5146 -54.5146 -28.8309 -28.8309 -21.1642 -21.1642 -21.1023 -21.1023 -4.1546 -4.1546 -4.0666 -4.0666 3.5954 3.5954 3.6852 3.6852 3.7927 3.7927 5.2069 5.2069 5.5574 5.5574 5.5598 5.5598 10.1936 10.1936 10.6093 10.6093 10.8438 10.8438 13.6150 13.6150 k = 0.3333 0.5774 0.2638 ( 2508 PWs) bands (ev): -54.5146 -54.5146 -28.8310 -28.8310 -21.1642 -21.1642 -21.1023 -21.1023 -4.1546 -4.1546 -4.0667 -4.0667 3.5905 3.5905 3.6976 3.6976 3.7886 3.7886 5.1875 5.1875 5.5663 5.5663 5.5699 5.5699 10.1984 10.1984 10.5993 10.5993 10.8336 10.8336 13.6377 13.6377 k = 0.3333 0.5774 0.2753 ( 2520 PWs) bands (ev): -54.5146 -54.5146 -28.8311 -28.8311 -21.1643 -21.1643 -21.1024 -21.1024 -4.1546 -4.1546 -4.0668 -4.0668 3.5866 3.5866 3.7078 3.7078 3.7854 3.7854 5.1719 5.1719 5.5734 5.5734 5.5779 5.5779 10.2022 10.2022 10.5914 10.5914 10.8256 10.8256 13.6560 13.6560 k = 0.3333 0.5774 0.2867 ( 2532 PWs) bands (ev): -54.5146 -54.5146 -28.8312 -28.8312 -21.1643 -21.1643 -21.1025 -21.1025 -4.1546 -4.1546 -4.0669 -4.0669 3.5836 3.5836 3.7154 3.7154 3.7831 3.7831 5.1604 5.1604 5.5785 5.5785 5.5837 5.5837 10.2050 10.2050 10.5857 10.5857 10.8198 10.8198 13.6694 13.6694 k = 0.3333 0.5774 0.2982 ( 2532 PWs) bands (ev): -54.5146 -54.5146 -28.8312 -28.8312 -21.1643 -21.1643 -21.1025 -21.1025 -4.1546 -4.1546 -4.0669 -4.0669 3.5819 3.5819 3.7201 3.7201 3.7817 3.7817 5.1534 5.1534 5.5815 5.5815 5.5872 5.5872 10.2066 10.2066 10.5823 10.5823 10.8163 10.8163 13.6776 13.6776 k = 0.3333 0.5774 0.3097 ( 2532 PWs) bands (ev): -54.5146 -54.5146 -28.8312 -28.8312 -21.1643 -21.1643 -21.1025 -21.1025 -4.1546 -4.1546 -4.0669 -4.0669 3.5813 3.5813 3.7217 3.7217 3.7812 3.7812 5.1510 5.1510 5.5826 5.5826 5.5884 5.5884 10.2071 10.2071 10.5811 10.5811 10.8152 10.8152 13.6804 13.6804 Writing output data file HfS2.save init_run : 2.47s CPU 13.60s WALL ( 1 calls) electrons : 262.46s CPU 267.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.39s CPU 1.56s WALL ( 1 calls) Called by electrons: c_bands : 262.43s CPU 266.94s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.68s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.03s CPU 0.44s WALL ( 1 calls) newd : 0.26s CPU 0.50s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.12s WALL ( 366 calls) cegterg : 244.24s CPU 245.98s WALL ( 788 calls) Called by sum_band: Called by *egterg: h_psi : 114.59s CPU 121.44s WALL ( 13398 calls) s_psi : 14.02s CPU 14.57s WALL ( 13398 calls) g_psi : 0.24s CPU 0.31s WALL ( 12244 calls) cdiaghg : 82.57s CPU 79.64s WALL ( 12610 calls) cegterg:over : 20.00s CPU 17.28s WALL ( 12244 calls) cegterg:upda : 1.53s CPU 3.72s WALL ( 12244 calls) cegterg:last : 2.10s CPU 2.87s WALL ( 2154 calls) Called by h_psi: h_psi:vloc : 89.95s CPU 95.68s WALL ( 13398 calls) h_psi:vnl : 24.56s CPU 25.37s WALL ( 13398 calls) add_vuspsi : 7.32s CPU 10.57s WALL ( 13398 calls) General routines calbec : 17.20s CPU 14.67s WALL ( 13398 calls) fft : 0.43s CPU 1.51s WALL ( 19 calls) ffts : 0.02s CPU 0.04s WALL ( 4 calls) fftw : 86.69s CPU 89.81s WALL ( 805712 calls) interpolate : 0.22s CPU 0.24s WALL ( 4 calls) davcio : 0.02s CPU 0.91s WALL ( 732 calls) Parallel routines fft_scatter : 67.90s CPU 66.43s WALL ( 805735 calls) PWSCF : 5m 1.53s CPU 6m11.20s WALL This run was terminated on: 17: 1:42 19Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=