Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:59:11 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TiCl2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 27 27 8 1165 1165 181 Max 28 28 10 1170 1170 186 Sum 1003 1003 295 42045 42045 6569 bravais-lattice index = 14 lattice parameter (alat) = 6.7293 a.u. unit-cell volume = 435.3905 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.729314 celldm(2)= 1.000000 celldm(3)= 1.649817 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 1.649817 ) 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 0.606128 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Ti 12.00 47.86700 Ti( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 370 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 2) = ( 0.0098039 0.0056603 -0.0000000), wk = 0.0027027 k( 3) = ( 0.0196078 0.0113206 -0.0000000), wk = 0.0027027 k( 4) = ( 0.0294118 0.0169809 -0.0000000), wk = 0.0027027 k( 5) = ( 0.0392157 0.0226412 -0.0000000), wk = 0.0027027 k( 6) = ( 0.0490196 0.0283015 -0.0000000), wk = 0.0027027 k( 7) = ( 0.0588235 0.0339618 -0.0000000), wk = 0.0027027 k( 8) = ( 0.0686275 0.0396221 -0.0000000), wk = 0.0027027 k( 9) = ( 0.0784314 0.0452824 -0.0000000), wk = 0.0027027 k( 10) = ( 0.0882353 0.0509427 -0.0000000), wk = 0.0027027 k( 11) = ( 0.0980392 0.0566030 -0.0000000), wk = 0.0027027 k( 12) = ( 0.1078431 0.0622633 -0.0000000), wk = 0.0027027 k( 13) = ( 0.1176471 0.0679236 -0.0000000), wk = 0.0027027 k( 14) = ( 0.1274510 0.0735839 -0.0000000), wk = 0.0027027 k( 15) = ( 0.1372549 0.0792442 -0.0000000), wk = 0.0027027 k( 16) = ( 0.1470588 0.0849044 -0.0000000), wk = 0.0027027 k( 17) = ( 0.1568627 0.0905648 -0.0000000), wk = 0.0027027 k( 18) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0027027 k( 19) = ( 0.1764706 0.1018853 -0.0000000), wk = 0.0027027 k( 20) = ( 0.1862745 0.1075456 -0.0000000), wk = 0.0027027 k( 21) = ( 0.1960784 0.1132059 -0.0000000), wk = 0.0027027 k( 22) = ( 0.2058823 0.1188662 -0.0000000), wk = 0.0027027 k( 23) = ( 0.2156863 0.1245265 -0.0000000), wk = 0.0027027 k( 24) = ( 0.2254902 0.1301868 -0.0000000), wk = 0.0027027 k( 25) = ( 0.2352941 0.1358471 -0.0000000), wk = 0.0027027 k( 26) = ( 0.2450980 0.1415074 -0.0000000), wk = 0.0027027 k( 27) = ( 0.2549020 0.1471677 -0.0000000), wk = 0.0027027 k( 28) = ( 0.2647059 0.1528280 -0.0000000), wk = 0.0027027 k( 29) = ( 0.2745098 0.1584883 -0.0000000), wk = 0.0027027 k( 30) = ( 0.2843137 0.1641486 -0.0000000), wk = 0.0027027 k( 31) = ( 0.2941177 0.1698089 -0.0000000), wk = 0.0027027 k( 32) = ( 0.3039216 0.1754692 -0.0000000), wk = 0.0027027 k( 33) = ( 0.3137255 0.1811295 -0.0000000), wk = 0.0027027 k( 34) = ( 0.3235294 0.1867898 -0.0000000), wk = 0.0027027 k( 35) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0027027 k( 36) = ( 0.3431373 0.1981104 -0.0000000), wk = 0.0027027 k( 37) = ( 0.3529412 0.2037707 -0.0000000), wk = 0.0027027 k( 38) = ( 0.3627451 0.2094310 -0.0000000), wk = 0.0027027 k( 39) = ( 0.3725490 0.2150913 -0.0000000), wk = 0.0027027 k( 40) = ( 0.3823529 0.2207516 -0.0000000), wk = 0.0027027 k( 41) = ( 0.3921569 0.2264119 -0.0000000), wk = 0.0027027 k( 42) = ( 0.4019608 0.2320722 -0.0000000), wk = 0.0027027 k( 43) = ( 0.4117647 0.2377325 -0.0000000), wk = 0.0027027 k( 44) = ( 0.4215686 0.2433928 -0.0000000), wk = 0.0027027 k( 45) = ( 0.4313726 0.2490531 -0.0000000), wk = 0.0027027 k( 46) = ( 0.4411765 0.2547134 -0.0000000), wk = 0.0027027 k( 47) = ( 0.4509804 0.2603736 -0.0000000), wk = 0.0027027 k( 48) = ( 0.4607843 0.2660339 -0.0000000), wk = 0.0027027 k( 49) = ( 0.4705882 0.2716942 -0.0000000), wk = 0.0027027 k( 50) = ( 0.4803922 0.2773545 -0.0000000), wk = 0.0027027 k( 51) = ( 0.4901961 0.2830148 -0.0000000), wk = 0.0027027 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027027 k( 53) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027027 k( 54) = ( 0.4944444 0.2982976 -0.0000000), wk = 0.0027027 k( 55) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0027027 k( 56) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0027027 k( 57) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0027027 k( 58) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0027027 k( 59) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0027027 k( 60) = ( 0.4611111 0.3560327 -0.0000000), wk = 0.0027027 k( 61) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0027027 k( 62) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0027027 k( 63) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0027027 k( 64) = ( 0.4388889 0.3945227 -0.0000000), wk = 0.0027027 k( 65) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0027027 k( 66) = ( 0.4277778 0.4137677 -0.0000000), wk = 0.0027027 k( 67) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0027027 k( 68) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0027027 k( 69) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0027027 k( 70) = ( 0.4055556 0.4522577 -0.0000000), wk = 0.0027027 k( 71) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0027027 k( 72) = ( 0.3944444 0.4715027 -0.0000000), wk = 0.0027027 k( 73) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0027027 k( 74) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0027027 k( 75) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0027027 k( 76) = ( 0.3722222 0.5099927 -0.0000000), wk = 0.0027027 k( 77) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0027027 k( 78) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0027027 k( 79) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0027027 k( 80) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0027027 k( 81) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0027027 k( 82) = ( 0.3388889 0.5677278 -0.0000000), wk = 0.0027027 k( 83) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027027 k( 84) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027027 k( 85) = ( 0.3276836 0.5675647 -0.0000000), wk = 0.0027027 k( 86) = ( 0.3220339 0.5577791 -0.0000000), wk = 0.0027027 k( 87) = ( 0.3163842 0.5479935 -0.0000000), wk = 0.0027027 k( 88) = ( 0.3107345 0.5382079 -0.0000000), wk = 0.0027027 k( 89) = ( 0.3050848 0.5284223 -0.0000000), wk = 0.0027027 k( 90) = ( 0.2994350 0.5186367 -0.0000000), wk = 0.0027027 k( 91) = ( 0.2937853 0.5088511 -0.0000000), wk = 0.0027027 k( 92) = ( 0.2881356 0.4990655 -0.0000000), wk = 0.0027027 k( 93) = ( 0.2824859 0.4892799 -0.0000000), wk = 0.0027027 k( 94) = ( 0.2768362 0.4794943 -0.0000000), wk = 0.0027027 k( 95) = ( 0.2711864 0.4697087 -0.0000000), wk = 0.0027027 k( 96) = ( 0.2655367 0.4599231 -0.0000000), wk = 0.0027027 k( 97) = ( 0.2598870 0.4501375 -0.0000000), wk = 0.0027027 k( 98) = ( 0.2542373 0.4403519 -0.0000000), wk = 0.0027027 k( 99) = ( 0.2485876 0.4305663 -0.0000000), wk = 0.0027027 k( 100) = ( 0.2429379 0.4207807 -0.0000000), wk = 0.0027027 k( 101) = ( 0.2372881 0.4109951 -0.0000000), wk = 0.0027027 k( 102) = ( 0.2316384 0.4012095 -0.0000000), wk = 0.0027027 k( 103) = ( 0.2259887 0.3914239 -0.0000000), wk = 0.0027027 k( 104) = ( 0.2203390 0.3816383 -0.0000000), wk = 0.0027027 k( 105) = ( 0.2146893 0.3718527 -0.0000000), wk = 0.0027027 k( 106) = ( 0.2090395 0.3620671 -0.0000000), wk = 0.0027027 k( 107) = ( 0.2033898 0.3522815 -0.0000000), wk = 0.0027027 k( 108) = ( 0.1977401 0.3424959 -0.0000000), wk = 0.0027027 k( 109) = ( 0.1920904 0.3327103 -0.0000000), wk = 0.0027027 k( 110) = ( 0.1864407 0.3229247 -0.0000000), wk = 0.0027027 k( 111) = ( 0.1807910 0.3131391 -0.0000000), wk = 0.0027027 k( 112) = ( 0.1751412 0.3033535 -0.0000000), wk = 0.0027027 k( 113) = ( 0.1694915 0.2935679 -0.0000000), wk = 0.0027027 k( 114) = ( 0.1638418 0.2837823 -0.0000000), wk = 0.0027027 k( 115) = ( 0.1581921 0.2739967 -0.0000000), wk = 0.0027027 k( 116) = ( 0.1525424 0.2642111 -0.0000000), wk = 0.0027027 k( 117) = ( 0.1468927 0.2544256 -0.0000000), wk = 0.0027027 k( 118) = ( 0.1412429 0.2446399 -0.0000000), wk = 0.0027027 k( 119) = ( 0.1355932 0.2348543 -0.0000000), wk = 0.0027027 k( 120) = ( 0.1299435 0.2250687 -0.0000000), wk = 0.0027027 k( 121) = ( 0.1242938 0.2152832 -0.0000000), wk = 0.0027027 k( 122) = ( 0.1186441 0.2054976 -0.0000000), wk = 0.0027027 k( 123) = ( 0.1129943 0.1957120 -0.0000000), wk = 0.0027027 k( 124) = ( 0.1073446 0.1859264 -0.0000000), wk = 0.0027027 k( 125) = ( 0.1016949 0.1761408 -0.0000000), wk = 0.0027027 k( 126) = ( 0.0960452 0.1663552 -0.0000000), wk = 0.0027027 k( 127) = ( 0.0903955 0.1565696 -0.0000000), wk = 0.0027027 k( 128) = ( 0.0847458 0.1467840 -0.0000000), wk = 0.0027027 k( 129) = ( 0.0790961 0.1369984 -0.0000000), wk = 0.0027027 k( 130) = ( 0.0734463 0.1272128 -0.0000000), wk = 0.0027027 k( 131) = ( 0.0677966 0.1174272 -0.0000000), wk = 0.0027027 k( 132) = ( 0.0621469 0.1076416 -0.0000000), wk = 0.0027027 k( 133) = ( 0.0564972 0.0978560 -0.0000000), wk = 0.0027027 k( 134) = ( 0.0508475 0.0880704 -0.0000000), wk = 0.0027027 k( 135) = ( 0.0451977 0.0782848 -0.0000000), wk = 0.0027027 k( 136) = ( 0.0395480 0.0684992 -0.0000000), wk = 0.0027027 k( 137) = ( 0.0338983 0.0587136 -0.0000000), wk = 0.0027027 k( 138) = ( 0.0282486 0.0489280 -0.0000000), wk = 0.0027027 k( 139) = ( 0.0225989 0.0391424 -0.0000000), wk = 0.0027027 k( 140) = ( 0.0169491 0.0293568 -0.0000000), wk = 0.0027027 k( 141) = ( 0.0112994 0.0195712 -0.0000000), wk = 0.0027027 k( 142) = ( 0.0056497 0.0097856 -0.0000000), wk = 0.0027027 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 145) = ( 0.0000000 0.0000000 0.0112246), wk = 0.0027027 k( 146) = ( 0.0000000 0.0000000 0.0224492), wk = 0.0027027 k( 147) = ( 0.0000000 0.0000000 0.0336738), wk = 0.0027027 k( 148) = ( 0.0000000 0.0000000 0.0448983), wk = 0.0027027 k( 149) = ( 0.0000000 0.0000000 0.0561229), wk = 0.0027027 k( 150) = ( 0.0000000 0.0000000 0.0673475), wk = 0.0027027 k( 151) = ( 0.0000000 0.0000000 0.0785721), wk = 0.0027027 k( 152) = ( 0.0000000 0.0000000 0.0897967), wk = 0.0027027 k( 153) = ( 0.0000000 0.0000000 0.1010213), wk = 0.0027027 k( 154) = ( 0.0000000 0.0000000 0.1122459), wk = 0.0027027 k( 155) = ( 0.0000000 0.0000000 0.1234704), wk = 0.0027027 k( 156) = ( 0.0000000 0.0000000 0.1346950), wk = 0.0027027 k( 157) = ( 0.0000000 0.0000000 0.1459196), wk = 0.0027027 k( 158) = ( 0.0000000 0.0000000 0.1571442), wk = 0.0027027 k( 159) = ( 0.0000000 0.0000000 0.1683688), wk = 0.0027027 k( 160) = ( 0.0000000 0.0000000 0.1795934), wk = 0.0027027 k( 161) = ( 0.0000000 0.0000000 0.1908180), wk = 0.0027027 k( 162) = ( 0.0000000 0.0000000 0.2020426), wk = 0.0027027 k( 163) = ( 0.0000000 0.0000000 0.2132671), wk = 0.0027027 k( 164) = ( 0.0000000 0.0000000 0.2244917), wk = 0.0027027 k( 165) = ( 0.0000000 0.0000000 0.2357163), wk = 0.0027027 k( 166) = ( 0.0000000 0.0000000 0.2469409), wk = 0.0027027 k( 167) = ( 0.0000000 0.0000000 0.2581655), wk = 0.0027027 k( 168) = ( 0.0000000 0.0000000 0.2693901), wk = 0.0027027 k( 169) = ( 0.0000000 0.0000000 0.2806147), wk = 0.0027027 k( 170) = ( 0.0000000 0.0000000 0.2918392), wk = 0.0027027 k( 171) = ( 0.0000000 0.0000000 0.3030638), wk = 0.0027027 k( 172) = ( 0.0000000 0.0000000 0.3030638), wk = 0.0027027 k( 173) = ( 0.0098039 0.0056603 0.3030638), wk = 0.0027027 k( 174) = ( 0.0196078 0.0113206 0.3030638), wk = 0.0027027 k( 175) = ( 0.0294118 0.0169809 0.3030638), wk = 0.0027027 k( 176) = ( 0.0392157 0.0226412 0.3030638), wk = 0.0027027 k( 177) = ( 0.0490196 0.0283015 0.3030638), wk = 0.0027027 k( 178) = ( 0.0588235 0.0339618 0.3030638), wk = 0.0027027 k( 179) = ( 0.0686275 0.0396221 0.3030638), wk = 0.0027027 k( 180) = ( 0.0784314 0.0452824 0.3030638), wk = 0.0027027 k( 181) = ( 0.0882353 0.0509427 0.3030638), wk = 0.0027027 k( 182) = ( 0.0980392 0.0566030 0.3030638), wk = 0.0027027 k( 183) = ( 0.1078431 0.0622633 0.3030638), wk = 0.0027027 k( 184) = ( 0.1176471 0.0679236 0.3030638), wk = 0.0027027 k( 185) = ( 0.1274510 0.0735839 0.3030638), wk = 0.0027027 k( 186) = ( 0.1372549 0.0792442 0.3030638), wk = 0.0027027 k( 187) = ( 0.1470588 0.0849044 0.3030638), wk = 0.0027027 k( 188) = ( 0.1568627 0.0905648 0.3030638), wk = 0.0027027 k( 189) = ( 0.1666667 0.0962250 0.3030638), wk = 0.0027027 k( 190) = ( 0.1764706 0.1018853 0.3030638), wk = 0.0027027 k( 191) = ( 0.1862745 0.1075456 0.3030638), wk = 0.0027027 k( 192) = ( 0.1960784 0.1132059 0.3030638), wk = 0.0027027 k( 193) = ( 0.2058823 0.1188662 0.3030638), wk = 0.0027027 k( 194) = ( 0.2156863 0.1245265 0.3030638), wk = 0.0027027 k( 195) = ( 0.2254902 0.1301868 0.3030638), wk = 0.0027027 k( 196) = ( 0.2352941 0.1358471 0.3030638), wk = 0.0027027 k( 197) = ( 0.2450980 0.1415074 0.3030638), wk = 0.0027027 k( 198) = ( 0.2549020 0.1471677 0.3030638), wk = 0.0027027 k( 199) = ( 0.2647059 0.1528280 0.3030638), wk = 0.0027027 k( 200) = ( 0.2745098 0.1584883 0.3030638), wk = 0.0027027 k( 201) = ( 0.2843137 0.1641486 0.3030638), wk = 0.0027027 k( 202) = ( 0.2941177 0.1698089 0.3030638), wk = 0.0027027 k( 203) = ( 0.3039216 0.1754692 0.3030638), wk = 0.0027027 k( 204) = ( 0.3137255 0.1811295 0.3030638), wk = 0.0027027 k( 205) = ( 0.3235294 0.1867898 0.3030638), wk = 0.0027027 k( 206) = ( 0.3333333 0.1924501 0.3030638), wk = 0.0027027 k( 207) = ( 0.3431373 0.1981104 0.3030638), wk = 0.0027027 k( 208) = ( 0.3529412 0.2037707 0.3030638), wk = 0.0027027 k( 209) = ( 0.3627451 0.2094310 0.3030638), wk = 0.0027027 k( 210) = ( 0.3725490 0.2150913 0.3030638), wk = 0.0027027 k( 211) = ( 0.3823529 0.2207516 0.3030638), wk = 0.0027027 k( 212) = ( 0.3921569 0.2264119 0.3030638), wk = 0.0027027 k( 213) = ( 0.4019608 0.2320722 0.3030638), wk = 0.0027027 k( 214) = ( 0.4117647 0.2377325 0.3030638), wk = 0.0027027 k( 215) = ( 0.4215686 0.2433928 0.3030638), wk = 0.0027027 k( 216) = ( 0.4313726 0.2490531 0.3030638), wk = 0.0027027 k( 217) = ( 0.4411765 0.2547134 0.3030638), wk = 0.0027027 k( 218) = ( 0.4509804 0.2603736 0.3030638), wk = 0.0027027 k( 219) = ( 0.4607843 0.2660339 0.3030638), wk = 0.0027027 k( 220) = ( 0.4705882 0.2716942 0.3030638), wk = 0.0027027 k( 221) = ( 0.4803922 0.2773545 0.3030638), wk = 0.0027027 k( 222) = ( 0.4901961 0.2830148 0.3030638), wk = 0.0027027 k( 223) = ( 0.5000000 0.2886751 0.3030638), wk = 0.0027027 k( 224) = ( 0.5000000 0.2886751 0.3030638), wk = 0.0027027 k( 225) = ( 0.4944444 0.2982976 0.3030638), wk = 0.0027027 k( 226) = ( 0.4888889 0.3079201 0.3030638), wk = 0.0027027 k( 227) = ( 0.4833333 0.3175426 0.3030638), wk = 0.0027027 k( 228) = ( 0.4777778 0.3271651 0.3030638), wk = 0.0027027 k( 229) = ( 0.4722222 0.3367877 0.3030638), wk = 0.0027027 k( 230) = ( 0.4666667 0.3464102 0.3030638), wk = 0.0027027 k( 231) = ( 0.4611111 0.3560327 0.3030638), wk = 0.0027027 k( 232) = ( 0.4555556 0.3656552 0.3030638), wk = 0.0027027 k( 233) = ( 0.4500000 0.3752777 0.3030638), wk = 0.0027027 k( 234) = ( 0.4444444 0.3849002 0.3030638), wk = 0.0027027 k( 235) = ( 0.4388889 0.3945227 0.3030638), wk = 0.0027027 k( 236) = ( 0.4333333 0.4041452 0.3030638), wk = 0.0027027 k( 237) = ( 0.4277778 0.4137677 0.3030638), wk = 0.0027027 k( 238) = ( 0.4222222 0.4233902 0.3030638), wk = 0.0027027 k( 239) = ( 0.4166667 0.4330127 0.3030638), wk = 0.0027027 k( 240) = ( 0.4111111 0.4426352 0.3030638), wk = 0.0027027 k( 241) = ( 0.4055556 0.4522577 0.3030638), wk = 0.0027027 k( 242) = ( 0.4000000 0.4618802 0.3030638), wk = 0.0027027 k( 243) = ( 0.3944444 0.4715027 0.3030638), wk = 0.0027027 k( 244) = ( 0.3888889 0.4811252 0.3030638), wk = 0.0027027 k( 245) = ( 0.3833333 0.4907477 0.3030638), wk = 0.0027027 k( 246) = ( 0.3777778 0.5003702 0.3030638), wk = 0.0027027 k( 247) = ( 0.3722222 0.5099927 0.3030638), wk = 0.0027027 k( 248) = ( 0.3666667 0.5196152 0.3030638), wk = 0.0027027 k( 249) = ( 0.3611111 0.5292377 0.3030638), wk = 0.0027027 k( 250) = ( 0.3555556 0.5388603 0.3030638), wk = 0.0027027 k( 251) = ( 0.3500000 0.5484828 0.3030638), wk = 0.0027027 k( 252) = ( 0.3444444 0.5581053 0.3030638), wk = 0.0027027 k( 253) = ( 0.3388889 0.5677278 0.3030638), wk = 0.0027027 k( 254) = ( 0.3333333 0.5773503 0.3030638), wk = 0.0027027 k( 255) = ( 0.3333333 0.5773503 0.3030638), wk = 0.0027027 k( 256) = ( 0.3276836 0.5675647 0.3030638), wk = 0.0027027 k( 257) = ( 0.3220339 0.5577791 0.3030638), wk = 0.0027027 k( 258) = ( 0.3163842 0.5479935 0.3030638), wk = 0.0027027 k( 259) = ( 0.3107345 0.5382079 0.3030638), wk = 0.0027027 k( 260) = ( 0.3050848 0.5284223 0.3030638), wk = 0.0027027 k( 261) = ( 0.2994350 0.5186367 0.3030638), wk = 0.0027027 k( 262) = ( 0.2937853 0.5088511 0.3030638), wk = 0.0027027 k( 263) = ( 0.2881356 0.4990655 0.3030638), wk = 0.0027027 k( 264) = ( 0.2824859 0.4892799 0.3030638), wk = 0.0027027 k( 265) = ( 0.2768362 0.4794943 0.3030638), wk = 0.0027027 k( 266) = ( 0.2711864 0.4697087 0.3030638), wk = 0.0027027 k( 267) = ( 0.2655367 0.4599231 0.3030638), wk = 0.0027027 k( 268) = ( 0.2598870 0.4501375 0.3030638), wk = 0.0027027 k( 269) = ( 0.2542373 0.4403519 0.3030638), wk = 0.0027027 k( 270) = ( 0.2485876 0.4305663 0.3030638), wk = 0.0027027 k( 271) = ( 0.2429379 0.4207807 0.3030638), wk = 0.0027027 k( 272) = ( 0.2372881 0.4109951 0.3030638), wk = 0.0027027 k( 273) = ( 0.2316384 0.4012095 0.3030638), wk = 0.0027027 k( 274) = ( 0.2259887 0.3914239 0.3030638), wk = 0.0027027 k( 275) = ( 0.2203390 0.3816383 0.3030638), wk = 0.0027027 k( 276) = ( 0.2146893 0.3718527 0.3030638), wk = 0.0027027 k( 277) = ( 0.2090395 0.3620671 0.3030638), wk = 0.0027027 k( 278) = ( 0.2033898 0.3522815 0.3030638), wk = 0.0027027 k( 279) = ( 0.1977401 0.3424959 0.3030638), wk = 0.0027027 k( 280) = ( 0.1920904 0.3327103 0.3030638), wk = 0.0027027 k( 281) = ( 0.1864407 0.3229247 0.3030638), wk = 0.0027027 k( 282) = ( 0.1807910 0.3131391 0.3030638), wk = 0.0027027 k( 283) = ( 0.1751412 0.3033535 0.3030638), wk = 0.0027027 k( 284) = ( 0.1694915 0.2935679 0.3030638), wk = 0.0027027 k( 285) = ( 0.1638418 0.2837823 0.3030638), wk = 0.0027027 k( 286) = ( 0.1581921 0.2739967 0.3030638), wk = 0.0027027 k( 287) = ( 0.1525424 0.2642111 0.3030638), wk = 0.0027027 k( 288) = ( 0.1468927 0.2544256 0.3030638), wk = 0.0027027 k( 289) = ( 0.1412429 0.2446399 0.3030638), wk = 0.0027027 k( 290) = ( 0.1355932 0.2348543 0.3030638), wk = 0.0027027 k( 291) = ( 0.1299435 0.2250687 0.3030638), wk = 0.0027027 k( 292) = ( 0.1242938 0.2152832 0.3030638), wk = 0.0027027 k( 293) = ( 0.1186441 0.2054976 0.3030638), wk = 0.0027027 k( 294) = ( 0.1129943 0.1957120 0.3030638), wk = 0.0027027 k( 295) = ( 0.1073446 0.1859264 0.3030638), wk = 0.0027027 k( 296) = ( 0.1016949 0.1761408 0.3030638), wk = 0.0027027 k( 297) = ( 0.0960452 0.1663552 0.3030638), wk = 0.0027027 k( 298) = ( 0.0903955 0.1565696 0.3030638), wk = 0.0027027 k( 299) = ( 0.0847458 0.1467840 0.3030638), wk = 0.0027027 k( 300) = ( 0.0790961 0.1369984 0.3030638), wk = 0.0027027 k( 301) = ( 0.0734463 0.1272128 0.3030638), wk = 0.0027027 k( 302) = ( 0.0677966 0.1174272 0.3030638), wk = 0.0027027 k( 303) = ( 0.0621469 0.1076416 0.3030638), wk = 0.0027027 k( 304) = ( 0.0564972 0.0978560 0.3030638), wk = 0.0027027 k( 305) = ( 0.0508475 0.0880704 0.3030638), wk = 0.0027027 k( 306) = ( 0.0451977 0.0782848 0.3030638), wk = 0.0027027 k( 307) = ( 0.0395480 0.0684992 0.3030638), wk = 0.0027027 k( 308) = ( 0.0338983 0.0587136 0.3030638), wk = 0.0027027 k( 309) = ( 0.0282486 0.0489280 0.3030638), wk = 0.0027027 k( 310) = ( 0.0225989 0.0391424 0.3030638), wk = 0.0027027 k( 311) = ( 0.0169491 0.0293568 0.3030638), wk = 0.0027027 k( 312) = ( 0.0112994 0.0195712 0.3030638), wk = 0.0027027 k( 313) = ( 0.0056497 0.0097856 0.3030638), wk = 0.0027027 k( 314) = ( 0.0000000 0.0000000 0.3030638), wk = 0.0027027 k( 315) = ( 0.5000000 0.2886751 0.3030638), wk = 0.0027027 k( 316) = ( 0.5000000 0.2886751 0.2918392), wk = 0.0027027 k( 317) = ( 0.5000000 0.2886751 0.2806147), wk = 0.0027027 k( 318) = ( 0.5000000 0.2886751 0.2693901), wk = 0.0027027 k( 319) = ( 0.5000000 0.2886751 0.2581655), wk = 0.0027027 k( 320) = ( 0.5000000 0.2886751 0.2469409), wk = 0.0027027 k( 321) = ( 0.5000000 0.2886751 0.2357163), wk = 0.0027027 k( 322) = ( 0.5000000 0.2886751 0.2244917), wk = 0.0027027 k( 323) = ( 0.5000000 0.2886751 0.2132671), wk = 0.0027027 k( 324) = ( 0.5000000 0.2886751 0.2020426), wk = 0.0027027 k( 325) = ( 0.5000000 0.2886751 0.1908180), wk = 0.0027027 k( 326) = ( 0.5000000 0.2886751 0.1795934), wk = 0.0027027 k( 327) = ( 0.5000000 0.2886751 0.1683688), wk = 0.0027027 k( 328) = ( 0.5000000 0.2886751 0.1571442), wk = 0.0027027 k( 329) = ( 0.5000000 0.2886751 0.1459196), wk = 0.0027027 k( 330) = ( 0.5000000 0.2886751 0.1346950), wk = 0.0027027 k( 331) = ( 0.5000000 0.2886751 0.1234704), wk = 0.0027027 k( 332) = ( 0.5000000 0.2886751 0.1122459), wk = 0.0027027 k( 333) = ( 0.5000000 0.2886751 0.1010213), wk = 0.0027027 k( 334) = ( 0.5000000 0.2886751 0.0897967), wk = 0.0027027 k( 335) = ( 0.5000000 0.2886751 0.0785721), wk = 0.0027027 k( 336) = ( 0.5000000 0.2886751 0.0673475), wk = 0.0027027 k( 337) = ( 0.5000000 0.2886751 0.0561229), wk = 0.0027027 k( 338) = ( 0.5000000 0.2886751 0.0448983), wk = 0.0027027 k( 339) = ( 0.5000000 0.2886751 0.0336738), wk = 0.0027027 k( 340) = ( 0.5000000 0.2886751 0.0224492), wk = 0.0027027 k( 341) = ( 0.5000000 0.2886751 0.0112246), wk = 0.0027027 k( 342) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027027 k( 343) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027027 k( 344) = ( 0.3333333 0.5773503 0.0112246), wk = 0.0027027 k( 345) = ( 0.3333333 0.5773503 0.0224492), wk = 0.0027027 k( 346) = ( 0.3333333 0.5773503 0.0336738), wk = 0.0027027 k( 347) = ( 0.3333333 0.5773503 0.0448983), wk = 0.0027027 k( 348) = ( 0.3333333 0.5773503 0.0561229), wk = 0.0027027 k( 349) = ( 0.3333333 0.5773503 0.0673475), wk = 0.0027027 k( 350) = ( 0.3333333 0.5773503 0.0785721), wk = 0.0027027 k( 351) = ( 0.3333333 0.5773503 0.0897967), wk = 0.0027027 k( 352) = ( 0.3333333 0.5773503 0.1010213), wk = 0.0027027 k( 353) = ( 0.3333333 0.5773503 0.1122459), wk = 0.0027027 k( 354) = ( 0.3333333 0.5773503 0.1234704), wk = 0.0027027 k( 355) = ( 0.3333333 0.5773503 0.1346950), wk = 0.0027027 k( 356) = ( 0.3333333 0.5773503 0.1459196), wk = 0.0027027 k( 357) = ( 0.3333333 0.5773503 0.1571442), wk = 0.0027027 k( 358) = ( 0.3333333 0.5773503 0.1683688), wk = 0.0027027 k( 359) = ( 0.3333333 0.5773503 0.1795934), wk = 0.0027027 k( 360) = ( 0.3333333 0.5773503 0.1908180), wk = 0.0027027 k( 361) = ( 0.3333333 0.5773503 0.2020426), wk = 0.0027027 k( 362) = ( 0.3333333 0.5773503 0.2132671), wk = 0.0027027 k( 363) = ( 0.3333333 0.5773503 0.2244917), wk = 0.0027027 k( 364) = ( 0.3333333 0.5773503 0.2357163), wk = 0.0027027 k( 365) = ( 0.3333333 0.5773503 0.2469409), wk = 0.0027027 k( 366) = ( 0.3333333 0.5773503 0.2581655), wk = 0.0027027 k( 367) = ( 0.3333333 0.5773503 0.2693901), wk = 0.0027027 k( 368) = ( 0.3333333 0.5773503 0.2806147), wk = 0.0027027 k( 369) = ( 0.3333333 0.5773503 0.2918392), wk = 0.0027027 k( 370) = ( 0.3333333 0.5773503 0.3030638), wk = 0.0027027 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 2) = ( 0.0098039 -0.0000000 0.0000000), wk = 0.0027027 k( 3) = ( 0.0196078 -0.0000000 0.0000000), wk = 0.0027027 k( 4) = ( 0.0294118 0.0000000 -0.0000000), wk = 0.0027027 k( 5) = ( 0.0392157 0.0000000 0.0000000), wk = 0.0027027 k( 6) = ( 0.0490196 -0.0000000 0.0000000), wk = 0.0027027 k( 7) = ( 0.0588235 -0.0000000 0.0000000), wk = 0.0027027 k( 8) = ( 0.0686275 -0.0000000 -0.0000000), wk = 0.0027027 k( 9) = ( 0.0784314 0.0000000 0.0000000), wk = 0.0027027 k( 10) = ( 0.0882353 0.0000000 0.0000000), wk = 0.0027027 k( 11) = ( 0.0980392 -0.0000000 0.0000000), wk = 0.0027027 k( 12) = ( 0.1078431 -0.0000000 -0.0000000), wk = 0.0027027 k( 13) = ( 0.1176471 -0.0000000 0.0000000), wk = 0.0027027 k( 14) = ( 0.1274510 -0.0000000 -0.0000000), wk = 0.0027027 k( 15) = ( 0.1372549 -0.0000000 -0.0000000), wk = 0.0027027 k( 16) = ( 0.1470588 0.0000000 0.0000000), wk = 0.0027027 k( 17) = ( 0.1568627 0.0000000 0.0000000), wk = 0.0027027 k( 18) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0027027 k( 19) = ( 0.1764706 0.0000000 -0.0000000), wk = 0.0027027 k( 20) = ( 0.1862745 0.0000000 -0.0000000), wk = 0.0027027 k( 21) = ( 0.1960784 -0.0000000 -0.0000000), wk = 0.0027027 k( 22) = ( 0.2058823 0.0000000 -0.0000000), wk = 0.0027027 k( 23) = ( 0.2156863 -0.0000000 -0.0000000), wk = 0.0027027 k( 24) = ( 0.2254902 -0.0000000 -0.0000000), wk = 0.0027027 k( 25) = ( 0.2352941 -0.0000000 0.0000000), wk = 0.0027027 k( 26) = ( 0.2450980 0.0000000 0.0000000), wk = 0.0027027 k( 27) = ( 0.2549020 -0.0000000 -0.0000000), wk = 0.0027027 k( 28) = ( 0.2647059 0.0000000 0.0000000), wk = 0.0027027 k( 29) = ( 0.2745098 -0.0000000 -0.0000000), wk = 0.0027027 k( 30) = ( 0.2843137 -0.0000000 0.0000000), wk = 0.0027027 k( 31) = ( 0.2941177 -0.0000000 -0.0000000), wk = 0.0027027 k( 32) = ( 0.3039216 0.0000000 -0.0000000), wk = 0.0027027 k( 33) = ( 0.3137255 -0.0000000 -0.0000000), wk = 0.0027027 k( 34) = ( 0.3235294 0.0000000 -0.0000000), wk = 0.0027027 k( 35) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0027027 k( 36) = ( 0.3431373 0.0000000 -0.0000000), wk = 0.0027027 k( 37) = ( 0.3529412 0.0000000 -0.0000000), wk = 0.0027027 k( 38) = ( 0.3627451 0.0000000 -0.0000000), wk = 0.0027027 k( 39) = ( 0.3725490 0.0000000 -0.0000000), wk = 0.0027027 k( 40) = ( 0.3823529 -0.0000000 0.0000000), wk = 0.0027027 k( 41) = ( 0.3921569 -0.0000000 -0.0000000), wk = 0.0027027 k( 42) = ( 0.4019608 -0.0000000 -0.0000000), wk = 0.0027027 k( 43) = ( 0.4117647 -0.0000000 0.0000000), wk = 0.0027027 k( 44) = ( 0.4215686 -0.0000000 0.0000000), wk = 0.0027027 k( 45) = ( 0.4313726 0.0000000 0.0000000), wk = 0.0027027 k( 46) = ( 0.4411765 0.0000000 0.0000000), wk = 0.0027027 k( 47) = ( 0.4509804 0.0000000 0.0000000), wk = 0.0027027 k( 48) = ( 0.4607843 0.0000000 0.0000000), wk = 0.0027027 k( 49) = ( 0.4705882 -0.0000000 0.0000000), wk = 0.0027027 k( 50) = ( 0.4803922 0.0000000 -0.0000000), wk = 0.0027027 k( 51) = ( 0.4901961 0.0000000 0.0000000), wk = 0.0027027 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027027 k( 53) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027027 k( 54) = ( 0.4944444 0.0111111 0.0000000), wk = 0.0027027 k( 55) = ( 0.4888889 0.0222222 -0.0000000), wk = 0.0027027 k( 56) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0027027 k( 57) = ( 0.4777778 0.0444444 -0.0000000), wk = 0.0027027 k( 58) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0027027 k( 59) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0027027 k( 60) = ( 0.4611111 0.0777778 -0.0000000), wk = 0.0027027 k( 61) = ( 0.4555556 0.0888889 -0.0000000), wk = 0.0027027 k( 62) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0027027 k( 63) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0027027 k( 64) = ( 0.4388889 0.1222222 0.0000000), wk = 0.0027027 k( 65) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0027027 k( 66) = ( 0.4277778 0.1444444 -0.0000000), wk = 0.0027027 k( 67) = ( 0.4222222 0.1555556 -0.0000000), wk = 0.0027027 k( 68) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0027027 k( 69) = ( 0.4111111 0.1777778 0.0000000), wk = 0.0027027 k( 70) = ( 0.4055556 0.1888889 -0.0000000), wk = 0.0027027 k( 71) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0027027 k( 72) = ( 0.3944444 0.2111111 0.0000000), wk = 0.0027027 k( 73) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0027027 k( 74) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0027027 k( 75) = ( 0.3777778 0.2444444 0.0000000), wk = 0.0027027 k( 76) = ( 0.3722222 0.2555556 0.0000000), wk = 0.0027027 k( 77) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0027027 k( 78) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0027027 k( 79) = ( 0.3555556 0.2888889 -0.0000000), wk = 0.0027027 k( 80) = ( 0.3500000 0.3000000 -0.0000000), wk = 0.0027027 k( 81) = ( 0.3444444 0.3111111 -0.0000000), wk = 0.0027027 k( 82) = ( 0.3388889 0.3222222 -0.0000000), wk = 0.0027027 k( 83) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027027 k( 84) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027027 k( 85) = ( 0.3276836 0.3276836 0.0000000), wk = 0.0027027 k( 86) = ( 0.3220339 0.3220339 -0.0000000), wk = 0.0027027 k( 87) = ( 0.3163842 0.3163842 -0.0000000), wk = 0.0027027 k( 88) = ( 0.3107345 0.3107345 -0.0000000), wk = 0.0027027 k( 89) = ( 0.3050848 0.3050848 -0.0000000), wk = 0.0027027 k( 90) = ( 0.2994350 0.2994350 -0.0000000), wk = 0.0027027 k( 91) = ( 0.2937853 0.2937853 0.0000000), wk = 0.0027027 k( 92) = ( 0.2881356 0.2881356 0.0000000), wk = 0.0027027 k( 93) = ( 0.2824859 0.2824859 0.0000000), wk = 0.0027027 k( 94) = ( 0.2768362 0.2768362 0.0000000), wk = 0.0027027 k( 95) = ( 0.2711864 0.2711864 -0.0000000), wk = 0.0027027 k( 96) = ( 0.2655367 0.2655367 -0.0000000), wk = 0.0027027 k( 97) = ( 0.2598870 0.2598870 0.0000000), wk = 0.0027027 k( 98) = ( 0.2542373 0.2542373 -0.0000000), wk = 0.0027027 k( 99) = ( 0.2485876 0.2485876 0.0000000), wk = 0.0027027 k( 100) = ( 0.2429379 0.2429379 0.0000000), wk = 0.0027027 k( 101) = ( 0.2372881 0.2372881 0.0000000), wk = 0.0027027 k( 102) = ( 0.2316384 0.2316384 -0.0000000), wk = 0.0027027 k( 103) = ( 0.2259887 0.2259887 0.0000000), wk = 0.0027027 k( 104) = ( 0.2203390 0.2203390 0.0000000), wk = 0.0027027 k( 105) = ( 0.2146893 0.2146893 0.0000000), wk = 0.0027027 k( 106) = ( 0.2090395 0.2090396 -0.0000000), wk = 0.0027027 k( 107) = ( 0.2033898 0.2033898 -0.0000000), wk = 0.0027027 k( 108) = ( 0.1977401 0.1977401 0.0000000), wk = 0.0027027 k( 109) = ( 0.1920904 0.1920904 -0.0000000), wk = 0.0027027 k( 110) = ( 0.1864407 0.1864407 0.0000000), wk = 0.0027027 k( 111) = ( 0.1807910 0.1807910 0.0000000), wk = 0.0027027 k( 112) = ( 0.1751412 0.1751412 -0.0000000), wk = 0.0027027 k( 113) = ( 0.1694915 0.1694915 -0.0000000), wk = 0.0027027 k( 114) = ( 0.1638418 0.1638418 0.0000000), wk = 0.0027027 k( 115) = ( 0.1581921 0.1581921 -0.0000000), wk = 0.0027027 k( 116) = ( 0.1525424 0.1525424 0.0000000), wk = 0.0027027 k( 117) = ( 0.1468927 0.1468927 -0.0000000), wk = 0.0027027 k( 118) = ( 0.1412429 0.1412429 0.0000000), wk = 0.0027027 k( 119) = ( 0.1355932 0.1355932 -0.0000000), wk = 0.0027027 k( 120) = ( 0.1299435 0.1299435 -0.0000000), wk = 0.0027027 k( 121) = ( 0.1242938 0.1242938 -0.0000000), wk = 0.0027027 k( 122) = ( 0.1186441 0.1186441 0.0000000), wk = 0.0027027 k( 123) = ( 0.1129943 0.1129944 0.0000000), wk = 0.0027027 k( 124) = ( 0.1073446 0.1073446 -0.0000000), wk = 0.0027027 k( 125) = ( 0.1016949 0.1016949 0.0000000), wk = 0.0027027 k( 126) = ( 0.0960452 0.0960452 -0.0000000), wk = 0.0027027 k( 127) = ( 0.0903955 0.0903955 0.0000000), wk = 0.0027027 k( 128) = ( 0.0847458 0.0847458 0.0000000), wk = 0.0027027 k( 129) = ( 0.0790961 0.0790961 -0.0000000), wk = 0.0027027 k( 130) = ( 0.0734463 0.0734463 -0.0000000), wk = 0.0027027 k( 131) = ( 0.0677966 0.0677966 -0.0000000), wk = 0.0027027 k( 132) = ( 0.0621469 0.0621469 -0.0000000), wk = 0.0027027 k( 133) = ( 0.0564972 0.0564972 -0.0000000), wk = 0.0027027 k( 134) = ( 0.0508475 0.0508475 0.0000000), wk = 0.0027027 k( 135) = ( 0.0451977 0.0451977 0.0000000), wk = 0.0027027 k( 136) = ( 0.0395480 0.0395480 0.0000000), wk = 0.0027027 k( 137) = ( 0.0338983 0.0338983 -0.0000000), wk = 0.0027027 k( 138) = ( 0.0282486 0.0282486 -0.0000000), wk = 0.0027027 k( 139) = ( 0.0225989 0.0225989 0.0000000), wk = 0.0027027 k( 140) = ( 0.0169491 0.0169491 0.0000000), wk = 0.0027027 k( 141) = ( 0.0112994 0.0112994 -0.0000000), wk = 0.0027027 k( 142) = ( 0.0056497 0.0056497 -0.0000000), wk = 0.0027027 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 145) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0027027 k( 146) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0027027 k( 147) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0027027 k( 148) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0027027 k( 149) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0027027 k( 150) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0027027 k( 151) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0027027 k( 152) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0027027 k( 153) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027027 k( 154) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0027027 k( 155) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0027027 k( 156) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0027027 k( 157) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0027027 k( 158) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0027027 k( 159) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0027027 k( 160) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0027027 k( 161) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0027027 k( 162) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027027 k( 163) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0027027 k( 164) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0027027 k( 165) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0027027 k( 166) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0027027 k( 167) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0027027 k( 168) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0027027 k( 169) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0027027 k( 170) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0027027 k( 171) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 172) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 173) = ( 0.0098039 -0.0000000 0.5000000), wk = 0.0027027 k( 174) = ( 0.0196078 -0.0000000 0.5000000), wk = 0.0027027 k( 175) = ( 0.0294118 0.0000000 0.5000000), wk = 0.0027027 k( 176) = ( 0.0392157 0.0000000 0.5000000), wk = 0.0027027 k( 177) = ( 0.0490196 -0.0000000 0.5000000), wk = 0.0027027 k( 178) = ( 0.0588235 -0.0000000 0.5000000), wk = 0.0027027 k( 179) = ( 0.0686275 -0.0000000 0.5000000), wk = 0.0027027 k( 180) = ( 0.0784314 0.0000000 0.5000000), wk = 0.0027027 k( 181) = ( 0.0882353 0.0000000 0.5000000), wk = 0.0027027 k( 182) = ( 0.0980392 -0.0000000 0.5000000), wk = 0.0027027 k( 183) = ( 0.1078431 -0.0000000 0.5000000), wk = 0.0027027 k( 184) = ( 0.1176471 -0.0000000 0.5000000), wk = 0.0027027 k( 185) = ( 0.1274510 -0.0000000 0.5000000), wk = 0.0027027 k( 186) = ( 0.1372549 -0.0000000 0.5000000), wk = 0.0027027 k( 187) = ( 0.1470588 0.0000000 0.5000000), wk = 0.0027027 k( 188) = ( 0.1568627 0.0000000 0.5000000), wk = 0.0027027 k( 189) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0027027 k( 190) = ( 0.1764706 0.0000000 0.5000000), wk = 0.0027027 k( 191) = ( 0.1862745 0.0000000 0.5000000), wk = 0.0027027 k( 192) = ( 0.1960784 -0.0000000 0.5000000), wk = 0.0027027 k( 193) = ( 0.2058823 0.0000000 0.5000000), wk = 0.0027027 k( 194) = ( 0.2156863 -0.0000000 0.5000000), wk = 0.0027027 k( 195) = ( 0.2254902 -0.0000000 0.5000000), wk = 0.0027027 k( 196) = ( 0.2352941 -0.0000000 0.5000000), wk = 0.0027027 k( 197) = ( 0.2450980 0.0000000 0.5000000), wk = 0.0027027 k( 198) = ( 0.2549020 -0.0000000 0.5000000), wk = 0.0027027 k( 199) = ( 0.2647059 0.0000000 0.5000000), wk = 0.0027027 k( 200) = ( 0.2745098 -0.0000000 0.5000000), wk = 0.0027027 k( 201) = ( 0.2843137 -0.0000000 0.5000000), wk = 0.0027027 k( 202) = ( 0.2941177 -0.0000000 0.5000000), wk = 0.0027027 k( 203) = ( 0.3039216 0.0000000 0.5000000), wk = 0.0027027 k( 204) = ( 0.3137255 -0.0000000 0.5000000), wk = 0.0027027 k( 205) = ( 0.3235294 0.0000000 0.5000000), wk = 0.0027027 k( 206) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0027027 k( 207) = ( 0.3431373 0.0000000 0.5000000), wk = 0.0027027 k( 208) = ( 0.3529412 0.0000000 0.5000000), wk = 0.0027027 k( 209) = ( 0.3627451 0.0000000 0.5000000), wk = 0.0027027 k( 210) = ( 0.3725490 0.0000000 0.5000000), wk = 0.0027027 k( 211) = ( 0.3823529 -0.0000000 0.5000000), wk = 0.0027027 k( 212) = ( 0.3921569 -0.0000000 0.5000000), wk = 0.0027027 k( 213) = ( 0.4019608 -0.0000000 0.5000000), wk = 0.0027027 k( 214) = ( 0.4117647 -0.0000000 0.5000000), wk = 0.0027027 k( 215) = ( 0.4215686 -0.0000000 0.5000000), wk = 0.0027027 k( 216) = ( 0.4313726 0.0000000 0.5000000), wk = 0.0027027 k( 217) = ( 0.4411765 0.0000000 0.5000000), wk = 0.0027027 k( 218) = ( 0.4509804 0.0000000 0.5000000), wk = 0.0027027 k( 219) = ( 0.4607843 0.0000000 0.5000000), wk = 0.0027027 k( 220) = ( 0.4705882 -0.0000000 0.5000000), wk = 0.0027027 k( 221) = ( 0.4803922 0.0000000 0.5000000), wk = 0.0027027 k( 222) = ( 0.4901961 0.0000000 0.5000000), wk = 0.0027027 k( 223) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027027 k( 224) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027027 k( 225) = ( 0.4944444 0.0111111 0.5000000), wk = 0.0027027 k( 226) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0027027 k( 227) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0027027 k( 228) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0027027 k( 229) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0027027 k( 230) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0027027 k( 231) = ( 0.4611111 0.0777778 0.5000000), wk = 0.0027027 k( 232) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0027027 k( 233) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0027027 k( 234) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0027027 k( 235) = ( 0.4388889 0.1222222 0.5000000), wk = 0.0027027 k( 236) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0027027 k( 237) = ( 0.4277778 0.1444444 0.5000000), wk = 0.0027027 k( 238) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0027027 k( 239) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0027027 k( 240) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0027027 k( 241) = ( 0.4055556 0.1888889 0.5000000), wk = 0.0027027 k( 242) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0027027 k( 243) = ( 0.3944444 0.2111111 0.5000000), wk = 0.0027027 k( 244) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0027027 k( 245) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0027027 k( 246) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0027027 k( 247) = ( 0.3722222 0.2555556 0.5000000), wk = 0.0027027 k( 248) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0027027 k( 249) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0027027 k( 250) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0027027 k( 251) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0027027 k( 252) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0027027 k( 253) = ( 0.3388889 0.3222222 0.5000000), wk = 0.0027027 k( 254) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027027 k( 255) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027027 k( 256) = ( 0.3276836 0.3276836 0.5000000), wk = 0.0027027 k( 257) = ( 0.3220339 0.3220339 0.5000000), wk = 0.0027027 k( 258) = ( 0.3163842 0.3163842 0.5000000), wk = 0.0027027 k( 259) = ( 0.3107345 0.3107345 0.5000000), wk = 0.0027027 k( 260) = ( 0.3050848 0.3050848 0.5000000), wk = 0.0027027 k( 261) = ( 0.2994350 0.2994350 0.5000000), wk = 0.0027027 k( 262) = ( 0.2937853 0.2937853 0.5000000), wk = 0.0027027 k( 263) = ( 0.2881356 0.2881356 0.5000000), wk = 0.0027027 k( 264) = ( 0.2824859 0.2824859 0.5000000), wk = 0.0027027 k( 265) = ( 0.2768362 0.2768362 0.5000000), wk = 0.0027027 k( 266) = ( 0.2711864 0.2711864 0.5000000), wk = 0.0027027 k( 267) = ( 0.2655367 0.2655367 0.5000000), wk = 0.0027027 k( 268) = ( 0.2598870 0.2598870 0.5000000), wk = 0.0027027 k( 269) = ( 0.2542373 0.2542373 0.5000000), wk = 0.0027027 k( 270) = ( 0.2485876 0.2485876 0.5000000), wk = 0.0027027 k( 271) = ( 0.2429379 0.2429379 0.5000000), wk = 0.0027027 k( 272) = ( 0.2372881 0.2372881 0.5000000), wk = 0.0027027 k( 273) = ( 0.2316384 0.2316384 0.5000000), wk = 0.0027027 k( 274) = ( 0.2259887 0.2259887 0.5000000), wk = 0.0027027 k( 275) = ( 0.2203390 0.2203390 0.5000000), wk = 0.0027027 k( 276) = ( 0.2146893 0.2146893 0.5000000), wk = 0.0027027 k( 277) = ( 0.2090395 0.2090396 0.5000000), wk = 0.0027027 k( 278) = ( 0.2033898 0.2033898 0.5000000), wk = 0.0027027 k( 279) = ( 0.1977401 0.1977401 0.5000000), wk = 0.0027027 k( 280) = ( 0.1920904 0.1920904 0.5000000), wk = 0.0027027 k( 281) = ( 0.1864407 0.1864407 0.5000000), wk = 0.0027027 k( 282) = ( 0.1807910 0.1807910 0.5000000), wk = 0.0027027 k( 283) = ( 0.1751412 0.1751412 0.5000000), wk = 0.0027027 k( 284) = ( 0.1694915 0.1694915 0.5000000), wk = 0.0027027 k( 285) = ( 0.1638418 0.1638418 0.5000000), wk = 0.0027027 k( 286) = ( 0.1581921 0.1581921 0.5000000), wk = 0.0027027 k( 287) = ( 0.1525424 0.1525424 0.5000000), wk = 0.0027027 k( 288) = ( 0.1468927 0.1468927 0.5000000), wk = 0.0027027 k( 289) = ( 0.1412429 0.1412429 0.5000000), wk = 0.0027027 k( 290) = ( 0.1355932 0.1355932 0.5000000), wk = 0.0027027 k( 291) = ( 0.1299435 0.1299435 0.5000000), wk = 0.0027027 k( 292) = ( 0.1242938 0.1242938 0.5000000), wk = 0.0027027 k( 293) = ( 0.1186441 0.1186441 0.5000000), wk = 0.0027027 k( 294) = ( 0.1129943 0.1129944 0.5000000), wk = 0.0027027 k( 295) = ( 0.1073446 0.1073446 0.5000000), wk = 0.0027027 k( 296) = ( 0.1016949 0.1016949 0.5000000), wk = 0.0027027 k( 297) = ( 0.0960452 0.0960452 0.5000000), wk = 0.0027027 k( 298) = ( 0.0903955 0.0903955 0.5000000), wk = 0.0027027 k( 299) = ( 0.0847458 0.0847458 0.5000000), wk = 0.0027027 k( 300) = ( 0.0790961 0.0790961 0.5000000), wk = 0.0027027 k( 301) = ( 0.0734463 0.0734463 0.5000000), wk = 0.0027027 k( 302) = ( 0.0677966 0.0677966 0.5000000), wk = 0.0027027 k( 303) = ( 0.0621469 0.0621469 0.5000000), wk = 0.0027027 k( 304) = ( 0.0564972 0.0564972 0.5000000), wk = 0.0027027 k( 305) = ( 0.0508475 0.0508475 0.5000000), wk = 0.0027027 k( 306) = ( 0.0451977 0.0451977 0.5000000), wk = 0.0027027 k( 307) = ( 0.0395480 0.0395480 0.5000000), wk = 0.0027027 k( 308) = ( 0.0338983 0.0338983 0.5000000), wk = 0.0027027 k( 309) = ( 0.0282486 0.0282486 0.5000000), wk = 0.0027027 k( 310) = ( 0.0225989 0.0225989 0.5000000), wk = 0.0027027 k( 311) = ( 0.0169491 0.0169491 0.5000000), wk = 0.0027027 k( 312) = ( 0.0112994 0.0112994 0.5000000), wk = 0.0027027 k( 313) = ( 0.0056497 0.0056497 0.5000000), wk = 0.0027027 k( 314) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 315) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027027 k( 316) = ( 0.5000000 0.0000000 0.4814815), wk = 0.0027027 k( 317) = ( 0.5000000 0.0000000 0.4629630), wk = 0.0027027 k( 318) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0027027 k( 319) = ( 0.5000000 0.0000000 0.4259259), wk = 0.0027027 k( 320) = ( 0.5000000 0.0000000 0.4074074), wk = 0.0027027 k( 321) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0027027 k( 322) = ( 0.5000000 0.0000000 0.3703704), wk = 0.0027027 k( 323) = ( 0.5000000 0.0000000 0.3518519), wk = 0.0027027 k( 324) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0027027 k( 325) = ( 0.5000000 0.0000000 0.3148148), wk = 0.0027027 k( 326) = ( 0.5000000 0.0000000 0.2962963), wk = 0.0027027 k( 327) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0027027 k( 328) = ( 0.5000000 0.0000000 0.2592593), wk = 0.0027027 k( 329) = ( 0.5000000 0.0000000 0.2407407), wk = 0.0027027 k( 330) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0027027 k( 331) = ( 0.5000000 0.0000000 0.2037037), wk = 0.0027027 k( 332) = ( 0.5000000 0.0000000 0.1851852), wk = 0.0027027 k( 333) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0027027 k( 334) = ( 0.5000000 0.0000000 0.1481482), wk = 0.0027027 k( 335) = ( 0.5000000 0.0000000 0.1296296), wk = 0.0027027 k( 336) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0027027 k( 337) = ( 0.5000000 0.0000000 0.0925926), wk = 0.0027027 k( 338) = ( 0.5000000 0.0000000 0.0740741), wk = 0.0027027 k( 339) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0027027 k( 340) = ( 0.5000000 0.0000000 0.0370370), wk = 0.0027027 k( 341) = ( 0.5000000 0.0000000 0.0185185), wk = 0.0027027 k( 342) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027027 k( 343) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027027 k( 344) = ( 0.3333333 0.3333333 0.0185185), wk = 0.0027027 k( 345) = ( 0.3333333 0.3333333 0.0370370), wk = 0.0027027 k( 346) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0027027 k( 347) = ( 0.3333333 0.3333333 0.0740741), wk = 0.0027027 k( 348) = ( 0.3333333 0.3333333 0.0925926), wk = 0.0027027 k( 349) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0027027 k( 350) = ( 0.3333333 0.3333333 0.1296296), wk = 0.0027027 k( 351) = ( 0.3333333 0.3333333 0.1481482), wk = 0.0027027 k( 352) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0027027 k( 353) = ( 0.3333333 0.3333333 0.1851852), wk = 0.0027027 k( 354) = ( 0.3333333 0.3333333 0.2037037), wk = 0.0027027 k( 355) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0027027 k( 356) = ( 0.3333333 0.3333333 0.2407407), wk = 0.0027027 k( 357) = ( 0.3333333 0.3333333 0.2592593), wk = 0.0027027 k( 358) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0027027 k( 359) = ( 0.3333333 0.3333333 0.2962963), wk = 0.0027027 k( 360) = ( 0.3333333 0.3333333 0.3148148), wk = 0.0027027 k( 361) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027027 k( 362) = ( 0.3333333 0.3333333 0.3518519), wk = 0.0027027 k( 363) = ( 0.3333333 0.3333333 0.3703704), wk = 0.0027027 k( 364) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0027027 k( 365) = ( 0.3333333 0.3333333 0.4074074), wk = 0.0027027 k( 366) = ( 0.3333333 0.3333333 0.4259259), wk = 0.0027027 k( 367) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0027027 k( 368) = ( 0.3333333 0.3333333 0.4629630), wk = 0.0027027 k( 369) = ( 0.3333333 0.3333333 0.4814815), wk = 0.0027027 k( 370) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027027 Dense grid: 42045 G-vectors FFT dimensions: ( 40, 40, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 300, 34) NL pseudopotentials 0.23 Mb ( 150, 102) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1170) G-vector shells 0.00 Mb ( 548) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.62 Mb ( 300, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.11 Mb ( 102, 2, 34) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./TiCl2.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs + 18 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 2.0 secs Computing kpt #: 3 total cpu time spent up to now is 2.3 secs Computing kpt #: 4 total cpu time spent up to now is 2.7 secs Computing kpt #: 5 total cpu time spent up to now is 3.0 secs Computing kpt #: 6 total cpu time spent up to now is 3.3 secs Computing kpt #: 7 total cpu time spent up to now is 3.6 secs Computing kpt #: 8 total cpu time spent up to now is 3.9 secs Computing kpt #: 9 total cpu time spent up to now is 4.2 secs Computing kpt #: 10 total cpu time spent up to now is 4.4 secs Computing kpt #: 11 total cpu time spent up to now is 4.7 secs Computing kpt #: 12 total cpu time spent up to now is 5.0 secs Computing kpt #: 13 total cpu time spent up to now is 5.3 secs Computing kpt #: 14 total cpu time spent up to now is 5.6 secs Computing kpt #: 15 total cpu time spent up to now is 5.9 secs Computing kpt #: 16 total cpu time spent up to now is 6.2 secs Computing kpt #: 17 total cpu time spent up to now is 6.5 secs Computing kpt #: 18 total cpu time spent up to now is 6.8 secs Computing kpt #: 19 total cpu time spent up to now is 7.1 secs Computing kpt #: 20 total cpu time spent up to now is 7.4 secs Computing kpt #: 21 total cpu time spent up to now is 7.6 secs Computing kpt #: 22 total cpu time spent up to now is 7.9 secs Computing kpt #: 23 total cpu time spent up to now is 8.2 secs Computing kpt #: 24 total cpu time spent up to now is 8.5 secs Computing kpt #: 25 total cpu time spent up to now is 8.8 secs Computing kpt #: 26 total cpu time spent up to now is 9.1 secs Computing kpt #: 27 total cpu time spent up to now is 9.4 secs Computing kpt #: 28 total cpu time spent up to now is 9.7 secs Computing kpt #: 29 total cpu time spent up to now is 10.0 secs Computing kpt #: 30 total cpu time spent up to now is 10.2 secs Computing kpt #: 31 total cpu time spent up to now is 10.5 secs Computing kpt #: 32 total cpu time spent up to now is 10.8 secs Computing kpt #: 33 total cpu time spent up to now is 11.1 secs Computing kpt #: 34 total cpu time spent up to now is 11.4 secs Computing kpt #: 35 total cpu time spent up to now is 11.7 secs Computing kpt #: 36 total cpu time spent up to now is 12.0 secs Computing kpt #: 37 total cpu time spent up to now is 12.3 secs Computing kpt #: 38 total cpu time spent up to now is 12.5 secs Computing kpt #: 39 total cpu time spent up to now is 12.8 secs Computing kpt #: 40 total cpu time spent up to now is 13.1 secs Computing kpt #: 41 total cpu time spent up to now is 13.4 secs Computing kpt #: 42 total cpu time spent up to now is 13.7 secs Computing kpt #: 43 total cpu time spent up to now is 14.0 secs Computing kpt #: 44 total cpu time spent up to now is 14.3 secs Computing kpt #: 45 total cpu time spent up to now is 14.6 secs Computing kpt #: 46 total cpu time spent up to now is 14.9 secs Computing kpt #: 47 total cpu time spent up to now is 15.2 secs Computing kpt #: 48 total cpu time spent up to now is 15.5 secs Computing kpt #: 49 total cpu time spent up to now is 15.9 secs Computing kpt #: 50 total cpu time spent up to now is 16.2 secs Computing kpt #: 51 total cpu time spent up to now is 16.5 secs Computing kpt #: 52 total cpu time spent up to now is 16.9 secs Computing kpt #: 53 total cpu time spent up to now is 17.2 secs Computing kpt #: 54 total cpu time spent up to now is 17.5 secs Computing kpt #: 55 total cpu time spent up to now is 17.8 secs Computing kpt #: 56 total cpu time spent up to now is 18.2 secs Computing kpt #: 57 total cpu time spent up to now is 18.5 secs Computing kpt #: 58 total cpu time spent up to now is 18.8 secs Computing kpt #: 59 total cpu time spent up to now is 19.1 secs Computing kpt #: 60 total cpu time spent up to now is 19.4 secs Computing kpt #: 61 total cpu time spent up to now is 19.7 secs Computing kpt #: 62 total cpu time spent up to now is 20.0 secs Computing kpt #: 63 total cpu time spent up to now is 20.3 secs Computing kpt #: 64 total cpu time spent up to now is 20.6 secs Computing kpt #: 65 total cpu time spent up to now is 20.9 secs Computing kpt #: 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25.7 secs Computing kpt #: 82 total cpu time spent up to now is 26.0 secs Computing kpt #: 83 total cpu time spent up to now is 26.2 secs Computing kpt #: 84 total cpu time spent up to now is 26.5 secs Computing kpt #: 85 total cpu time spent up to now is 26.8 secs Computing kpt #: 86 total cpu time spent up to now is 27.1 secs Computing kpt #: 87 total cpu time spent up to now is 27.4 secs Computing kpt #: 88 total cpu time spent up to now is 27.7 secs Computing kpt #: 89 total cpu time spent up to now is 28.0 secs Computing kpt #: 90 total cpu time spent up to now is 28.3 secs Computing kpt #: 91 total cpu time spent up to now is 28.6 secs Computing kpt #: 92 total cpu time spent up to now is 28.9 secs Computing kpt #: 93 total cpu time spent up to now is 29.2 secs Computing kpt #: 94 total cpu time spent up to now is 29.5 secs Computing kpt #: 95 total cpu time spent up to now is 29.8 secs Computing kpt #: 96 total cpu time spent up to now is 30.1 secs Computing kpt #: 97 total cpu 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#: 128 total cpu time spent up to now is 39.7 secs Computing kpt #: 129 total cpu time spent up to now is 40.0 secs Computing kpt #: 130 total cpu time spent up to now is 40.2 secs Computing kpt #: 131 total cpu time spent up to now is 40.5 secs Computing kpt #: 132 total cpu time spent up to now is 40.8 secs Computing kpt #: 133 total cpu time spent up to now is 41.1 secs Computing kpt #: 134 total cpu time spent up to now is 41.4 secs Computing kpt #: 135 total cpu time spent up to now is 41.7 secs Computing kpt #: 136 total cpu time spent up to now is 42.1 secs Computing kpt #: 137 total cpu time spent up to now is 42.4 secs Computing kpt #: 138 total cpu time spent up to now is 42.7 secs Computing kpt #: 139 total cpu time spent up to now is 43.0 secs Computing kpt #: 140 total cpu time spent up to now is 43.4 secs Computing kpt #: 141 total cpu time spent up to now is 43.8 secs Computing kpt #: 142 total cpu time spent up to now is 44.2 secs Computing kpt #: 143 total cpu time 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secs Computing kpt #: 159 total cpu time spent up to now is 49.9 secs Computing kpt #: 160 total cpu time spent up to now is 50.2 secs Computing kpt #: 161 total cpu time spent up to now is 50.6 secs Computing kpt #: 162 total cpu time spent up to now is 50.9 secs Computing kpt #: 163 total cpu time spent up to now is 51.2 secs Computing kpt #: 164 total cpu time spent up to now is 51.6 secs Computing kpt #: 165 total cpu time spent up to now is 51.9 secs Computing kpt #: 166 total cpu time spent up to now is 52.2 secs Computing kpt #: 167 total cpu time spent up to now is 52.5 secs Computing kpt #: 168 total cpu time spent up to now is 52.8 secs Computing kpt #: 169 total cpu time spent up to now is 53.2 secs Computing kpt #: 170 total cpu time spent up to now is 53.5 secs Computing kpt #: 171 total cpu time spent up to now is 53.8 secs Computing kpt #: 172 total cpu time spent up to now is 54.1 secs Computing kpt #: 173 total cpu time spent up to now is 54.4 secs Computing kpt #: 174 total cpu time spent up to now is 54.7 secs Computing kpt #: 175 total cpu time spent up to now is 55.0 secs Computing kpt #: 176 total cpu time spent up to now is 55.3 secs Computing kpt #: 177 total cpu time spent up to now is 55.6 secs Computing kpt #: 178 total cpu time spent up to now is 55.9 secs Computing kpt #: 179 total cpu time spent up to now is 56.2 secs Computing kpt #: 180 total cpu time spent up to now is 56.5 secs Computing kpt #: 181 total cpu time spent up to now is 56.8 secs Computing kpt #: 182 total cpu time spent up to now is 57.1 secs Computing kpt #: 183 total cpu time spent up to now is 57.4 secs Computing kpt #: 184 total cpu time spent up to now is 57.7 secs Computing kpt #: 185 total cpu time spent up to now is 58.0 secs Computing kpt #: 186 total cpu time spent up to now is 58.3 secs Computing kpt #: 187 total cpu time spent up to now is 58.6 secs Computing kpt #: 188 total cpu time spent up to now is 58.9 secs Computing kpt #: 189 total cpu time spent up to now is 59.2 secs Computing kpt #: 190 total cpu time spent up to now is 59.4 secs Computing kpt #: 191 total cpu time spent up to now is 59.7 secs Computing kpt #: 192 total cpu time spent up to now is 60.0 secs Computing kpt #: 193 total cpu time spent up to now is 60.3 secs Computing kpt #: 194 total cpu time spent up to now is 60.6 secs Computing kpt #: 195 total cpu time spent up to now is 60.9 secs Computing kpt #: 196 total cpu time spent up to now is 61.2 secs Computing kpt #: 197 total cpu time spent up to now is 61.5 secs Computing kpt #: 198 total cpu time spent up to now is 61.8 secs Computing kpt #: 199 total cpu time spent up to now is 62.0 secs Computing kpt #: 200 total cpu time spent up to now is 62.3 secs Computing kpt #: 201 total cpu time spent up to now is 62.6 secs Computing kpt #: 202 total cpu time spent up to now is 62.9 secs Computing kpt #: 203 total cpu time spent up to now is 63.2 secs Computing kpt #: 204 total cpu time spent up to now is 63.5 secs Computing kpt #: 205 total cpu time spent up to now is 63.8 secs Computing kpt #: 206 total cpu time spent up to now is 64.1 secs Computing kpt #: 207 total cpu time spent up to now is 64.5 secs Computing kpt #: 208 total cpu time spent up to now is 64.8 secs Computing kpt #: 209 total cpu time spent up to now is 65.1 secs Computing kpt #: 210 total cpu time spent up to now is 65.4 secs Computing kpt #: 211 total cpu time spent up to now is 65.8 secs Computing kpt #: 212 total cpu time spent up to now is 66.1 secs Computing kpt #: 213 total cpu time spent up to now is 66.4 secs Computing kpt #: 214 total cpu time spent up to now is 66.7 secs Computing kpt #: 215 total cpu time spent up to now is 67.1 secs Computing kpt #: 216 total cpu time spent up to now is 67.4 secs Computing kpt #: 217 total cpu time spent up to now is 67.7 secs Computing kpt #: 218 total cpu time spent up to now is 68.0 secs Computing kpt #: 219 total cpu time spent up to now is 68.4 secs Computing kpt #: 220 total cpu time spent up to now is 68.7 secs Computing kpt #: 221 total cpu time spent up to now is 69.0 secs Computing kpt #: 222 total cpu time spent up to now is 69.3 secs Computing kpt #: 223 total cpu time spent up to now is 69.7 secs Computing kpt #: 224 total cpu time spent up to now is 70.0 secs Computing kpt #: 225 total cpu time spent up to now is 70.3 secs Computing kpt #: 226 total cpu time spent up to now is 70.7 secs Computing kpt #: 227 total cpu time spent up to now is 71.0 secs Computing kpt #: 228 total cpu time spent up to now is 71.3 secs Computing kpt #: 229 total cpu time spent up to now is 71.6 secs Computing kpt #: 230 total cpu time spent up to now is 71.9 secs Computing kpt #: 231 total cpu time spent up to now is 72.2 secs Computing kpt #: 232 total cpu time spent up to now is 72.5 secs Computing kpt #: 233 total cpu time spent up to now is 72.8 secs Computing kpt #: 234 total cpu time spent up to now is 73.1 secs Computing kpt #: 235 total cpu time spent up to now is 73.4 secs Computing kpt #: 236 total cpu time spent up to now is 73.7 secs Computing kpt #: 237 total cpu time spent up to now is 74.0 secs Computing kpt #: 238 total cpu time spent up to now is 74.2 secs Computing kpt #: 239 total cpu time spent up to now is 74.5 secs Computing kpt #: 240 total cpu time spent up to now is 74.8 secs Computing kpt #: 241 total cpu time spent up to now is 75.1 secs Computing kpt #: 242 total cpu time spent up to now is 75.4 secs Computing kpt #: 243 total cpu time spent up to now is 75.7 secs Computing kpt #: 244 total cpu time spent up to now is 76.0 secs Computing kpt #: 245 total cpu time spent up to now is 76.4 secs Computing kpt #: 246 total cpu time spent up to now is 76.7 secs Computing kpt #: 247 total cpu time spent up to now is 77.0 secs Computing kpt #: 248 total cpu time spent up to now is 77.3 secs Computing kpt #: 249 total cpu time spent up to now is 77.6 secs Computing kpt #: 250 total cpu time spent up to now is 77.9 secs Computing kpt #: 251 total cpu time spent up to now is 78.2 secs Computing kpt #: 252 total cpu time spent up to now is 78.5 secs Computing kpt #: 253 total cpu time spent up to now is 78.8 secs Computing kpt #: 254 total cpu time spent up to now is 79.1 secs Computing kpt #: 255 total cpu time spent up to now is 79.4 secs Computing kpt #: 256 total cpu time spent up to now is 79.7 secs Computing kpt #: 257 total cpu time spent up to now is 80.0 secs Computing kpt #: 258 total cpu time spent up to now is 80.3 secs Computing kpt #: 259 total cpu time spent up to now is 80.6 secs Computing kpt #: 260 total cpu time spent up to now is 80.9 secs Computing kpt #: 261 total cpu time spent up to now is 81.2 secs Computing kpt #: 262 total cpu time spent up to now is 81.5 secs Computing kpt #: 263 total cpu time spent up to now is 81.8 secs Computing kpt #: 264 total cpu time spent up to now is 82.1 secs Computing kpt #: 265 total cpu time spent up to now is 82.4 secs Computing kpt #: 266 total cpu time spent up to now is 82.7 secs Computing kpt #: 267 total cpu time spent up to now is 83.0 secs Computing kpt #: 268 total cpu time spent up to now is 83.3 secs Computing kpt #: 269 total cpu time spent up to now is 83.6 secs Computing kpt #: 270 total cpu time spent up to now is 83.9 secs Computing kpt #: 271 total cpu time spent up to now is 84.2 secs Computing kpt #: 272 total cpu time spent up to now is 84.5 secs Computing kpt #: 273 total cpu time spent up to now is 84.8 secs Computing kpt #: 274 total cpu time spent up to now is 85.1 secs Computing kpt #: 275 total cpu time spent up to now is 85.4 secs Computing kpt #: 276 total cpu time spent up to now is 85.6 secs Computing kpt #: 277 total cpu time spent up to now is 85.9 secs Computing kpt #: 278 total cpu time spent up to now is 86.2 secs Computing kpt #: 279 total cpu time spent up to now is 86.5 secs Computing kpt #: 280 total cpu time spent up to now is 86.8 secs Computing kpt #: 281 total cpu time spent up to now is 87.1 secs Computing kpt #: 282 total cpu time spent up to now is 87.4 secs Computing kpt #: 283 total cpu time spent up to now is 87.7 secs Computing kpt #: 284 total cpu time spent up to now is 88.0 secs Computing kpt #: 285 total cpu time spent up to now is 88.2 secs Computing kpt #: 286 total cpu time spent up to now is 88.5 secs Computing kpt #: 287 total cpu time spent up to now is 88.8 secs Computing kpt #: 288 total cpu time spent up to now is 89.1 secs Computing kpt #: 289 total cpu time spent up to now is 89.4 secs Computing kpt #: 290 total cpu time spent up to now is 89.7 secs Computing kpt #: 291 total cpu time spent up to now is 90.0 secs Computing kpt #: 292 total cpu time spent up to now is 90.3 secs Computing kpt #: 293 total cpu time spent up to now is 90.6 secs Computing kpt #: 294 total cpu time spent up to now is 90.9 secs Computing kpt #: 295 total cpu time spent up to now is 91.2 secs Computing kpt #: 296 total cpu time spent up to now is 91.4 secs Computing kpt #: 297 total cpu time spent up to now is 91.7 secs Computing kpt #: 298 total cpu time spent up to now is 92.0 secs Computing kpt #: 299 total cpu time spent up to now is 92.3 secs Computing kpt #: 300 total cpu time spent up to now is 92.6 secs Computing kpt #: 301 total cpu time spent up to now is 92.9 secs Computing kpt #: 302 total cpu time spent up to now is 93.2 secs Computing kpt #: 303 total cpu time spent up to now is 93.4 secs Computing kpt #: 304 total cpu time spent up to now is 93.7 secs Computing kpt #: 305 total cpu time spent up to now is 94.0 secs Computing kpt #: 306 total cpu time spent up to now is 94.3 secs Computing kpt #: 307 total cpu time spent up to now is 94.6 secs Computing kpt #: 308 total cpu time spent up to now is 94.9 secs Computing kpt #: 309 total cpu time spent up to now is 95.2 secs Computing kpt #: 310 total cpu time spent up to now is 95.5 secs Computing kpt #: 311 total cpu time spent up to now is 95.8 secs Computing kpt #: 312 total cpu time spent up to now is 96.1 secs Computing kpt #: 313 total cpu time spent up to now is 96.5 secs Computing kpt #: 314 total cpu time spent up to now is 96.8 secs Computing kpt #: 315 total cpu time spent up to now is 97.1 secs Computing kpt #: 316 total cpu time spent up to now is 97.5 secs Computing kpt #: 317 total cpu time spent up to now is 97.8 secs Computing kpt #: 318 total cpu time spent up to now is 98.1 secs Computing kpt #: 319 total cpu time spent up to now is 98.5 secs Computing kpt #: 320 total cpu time spent up to now is 98.8 secs Computing kpt #: 321 total cpu time spent up to now is 99.1 secs Computing kpt #: 322 total cpu time spent up to now is 99.4 secs Computing kpt #: 323 total cpu time spent up to now is 99.8 secs Computing kpt #: 324 total cpu time spent up to now is 100.1 secs Computing kpt #: 325 total cpu time spent up to now is 100.4 secs Computing kpt #: 326 total cpu time spent up to now is 100.7 secs Computing kpt #: 327 total cpu time spent up to now is 101.1 secs Computing kpt #: 328 total cpu time spent up to now is 101.4 secs Computing kpt #: 329 total cpu time spent up to now is 101.7 secs Computing kpt #: 330 total cpu time spent up to now is 102.0 secs Computing kpt #: 331 total cpu time spent up to now is 102.4 secs Computing kpt #: 332 total cpu time spent up to now is 102.7 secs Computing kpt #: 333 total cpu time spent up to now is 103.0 secs Computing kpt #: 334 total cpu time spent up to now is 103.3 secs Computing kpt #: 335 total cpu time spent up to now is 103.7 secs Computing kpt #: 336 total cpu time spent up to now is 104.0 secs Computing kpt #: 337 total cpu time spent up to now is 104.3 secs Computing kpt #: 338 total cpu time spent up to now is 104.6 secs Computing kpt #: 339 total cpu time spent up to now is 105.0 secs Computing kpt #: 340 total cpu time spent up to now is 105.3 secs Computing kpt #: 341 total cpu time spent up to now is 105.6 secs Computing kpt #: 342 total cpu time spent up to now is 105.9 secs Computing kpt #: 343 total cpu time spent up to now is 106.2 secs Computing kpt #: 344 total cpu time spent up to now is 106.5 secs Computing kpt #: 345 total cpu time spent up to now is 106.8 secs Computing kpt #: 346 total cpu time spent up to now is 107.1 secs Computing kpt #: 347 total cpu time spent up to now is 107.4 secs Computing kpt #: 348 total cpu time spent up to now is 107.7 secs Computing kpt #: 349 total cpu time spent up to now is 108.0 secs Computing kpt #: 350 total cpu time spent up to now is 108.3 secs Computing kpt #: 351 total cpu time spent up to now is 108.6 secs Computing kpt #: 352 total cpu time spent up to now is 108.9 secs Computing kpt #: 353 total cpu time spent up to now is 109.2 secs Computing kpt #: 354 total cpu time spent up to now is 109.5 secs Computing kpt #: 355 total cpu time spent up to now is 109.8 secs Computing kpt #: 356 total cpu time spent up to now is 110.1 secs Computing kpt #: 357 total cpu time spent up to now is 110.4 secs Computing kpt #: 358 total cpu time spent up to now is 110.7 secs Computing kpt #: 359 total cpu time spent up to now is 111.0 secs Computing kpt #: 360 total cpu time spent up to now is 111.3 secs Computing kpt #: 361 total cpu time spent up to now is 111.6 secs Computing kpt #: 362 total cpu time spent up to now is 111.9 secs Computing kpt #: 363 total cpu time spent up to now is 112.2 secs Computing kpt #: 364 total cpu time spent up to now is 112.5 secs Computing kpt #: 365 total cpu time spent up to now is 112.8 secs Computing kpt #: 366 total cpu time spent up to now is 113.1 secs Computing kpt #: 367 total cpu time spent up to now is 113.4 secs Computing kpt #: 368 total cpu time spent up to now is 113.7 secs Computing kpt #: 369 total cpu time spent up to now is 114.0 secs Computing kpt #: 370 total cpu time spent up to now is 114.3 secs ethr = 3.85E-08, avg # of iterations = 16.9 total cpu time spent up to now is 114.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5275 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9082 -25.9082 -25.9030 -25.9030 -9.8795 -9.8795 -9.0947 -9.0947 0.6012 0.6012 2.6528 2.6528 2.7203 2.7203 3.7560 3.7560 3.8960 3.8960 3.9015 3.9015 7.9533 7.9533 7.9566 7.9566 8.1099 8.1099 9.3570 9.3570 9.3709 9.3709 k = 0.0098 0.0057-0.0000 ( 5275 PWs) bands (ev): -49.8706 -49.8706 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.8789 -9.8789 -9.0946 -9.0946 0.6022 0.6022 2.6519 2.6519 2.7194 2.7194 3.7543 3.7543 3.8948 3.8948 3.8990 3.8990 7.9536 7.9536 7.9573 7.9573 8.1103 8.1103 9.3570 9.3570 9.3707 9.3707 k = 0.0196 0.0113-0.0000 ( 5275 PWs) bands (ev): -49.8706 -49.8706 -26.5597 -26.5597 -25.9083 -25.9083 -25.9032 -25.9032 -9.8771 -9.8771 -9.0943 -9.0943 0.6052 0.6052 2.6491 2.6491 2.7168 2.7168 3.7490 3.7490 3.8880 3.8880 3.8951 3.8951 7.9536 7.9536 7.9601 7.9601 8.1116 8.1116 9.3566 9.3566 9.3704 9.3704 k = 0.0294 0.0170-0.0000 ( 5273 PWs) bands (ev): -49.8706 -49.8706 -26.5599 -26.5599 -25.9083 -25.9083 -25.9035 -25.9035 -9.8741 -9.8741 -9.0938 -9.0938 0.6102 0.6102 2.6438 2.6438 2.7130 2.7130 3.7394 3.7394 3.8744 3.8744 3.8918 3.8918 7.9525 7.9525 7.9657 7.9657 8.1138 8.1138 9.3560 9.3560 9.3701 9.3701 k = 0.0392 0.0226-0.0000 ( 5277 PWs) bands (ev): -49.8705 -49.8705 -26.5600 -26.5600 -25.9084 -25.9084 -25.9038 -25.9038 -9.8699 -9.8699 -9.0931 -9.0931 0.6172 0.6172 2.6357 2.6357 2.7087 2.7087 3.7241 3.7241 3.8569 3.8569 3.8877 3.8877 7.9504 7.9504 7.9737 7.9737 8.1173 8.1173 9.3549 9.3549 9.3700 9.3700 k = 0.0490 0.0283-0.0000 ( 5283 PWs) bands (ev): -49.8705 -49.8705 -26.5603 -26.5603 -25.9084 -25.9084 -25.9042 -25.9042 -9.8645 -9.8645 -9.0921 -9.0921 0.6262 0.6262 2.6241 2.6241 2.7047 2.7047 3.7015 3.7015 3.8375 3.8375 3.8826 3.8826 7.9471 7.9471 7.9839 7.9839 8.1221 8.1221 9.3533 9.3533 9.3705 9.3705 k = 0.0588 0.0340-0.0000 ( 5283 PWs) bands (ev): -49.8704 -49.8704 -26.5606 -26.5606 -25.9086 -25.9086 -25.9047 -25.9047 -9.8579 -9.8579 -9.0910 -9.0910 0.6371 0.6371 2.6088 2.6088 2.7012 2.7012 3.6702 3.6702 3.8178 3.8178 3.8768 3.8768 7.9424 7.9424 7.9963 7.9963 8.1285 8.1285 9.3513 9.3513 9.3716 9.3716 k = 0.0686 0.0396-0.0000 ( 5279 PWs) bands (ev): -49.8703 -49.8703 -26.5609 -26.5609 -25.9088 -25.9088 -25.9053 -25.9053 -9.8502 -9.8502 -9.0897 -9.0897 0.6500 0.6500 2.5899 2.5899 2.6986 2.6986 3.6298 3.6298 3.7986 3.7986 3.8701 3.8701 7.9362 7.9362 8.0106 8.0106 8.1367 8.1367 9.3494 9.3494 9.3733 9.3733 k = 0.0784 0.0453-0.0000 ( 5279 PWs) bands (ev): -49.8702 -49.8702 -26.5613 -26.5613 -25.9091 -25.9091 -25.9058 -25.9058 -9.8414 -9.8414 -9.0882 -9.0882 0.6648 0.6648 2.5677 2.5677 2.6967 2.6967 3.5808 3.5808 3.7798 3.7798 3.8626 3.8626 7.9282 7.9282 8.0269 8.0269 8.1466 8.1466 9.3477 9.3477 9.3757 9.3757 k = 0.0882 0.0509-0.0000 ( 5287 PWs) bands (ev): -49.8701 -49.8701 -26.5617 -26.5617 -25.9096 -25.9096 -25.9062 -25.9062 -9.8314 -9.8314 -9.0866 -9.0866 0.6815 0.6815 2.5427 2.5427 2.6953 2.6953 3.5242 3.5242 3.7609 3.7609 3.8542 3.8542 7.9185 7.9185 8.0450 8.0450 8.1584 8.1584 9.3466 9.3466 9.3786 9.3786 k = 0.0980 0.0566-0.0000 ( 5283 PWs) bands (ev): -49.8700 -49.8700 -26.5622 -26.5622 -25.9103 -25.9103 -25.9065 -25.9065 -9.8204 -9.8204 -9.0847 -9.0847 0.7000 0.7000 2.5151 2.5151 2.6944 2.6944 3.4612 3.4612 3.7414 3.7414 3.8447 3.8447 7.9072 7.9072 8.0646 8.0646 8.1718 8.1718 9.3465 9.3465 9.3822 9.3822 k = 0.1078 0.0623-0.0000 ( 5283 PWs) bands (ev): -49.8699 -49.8699 -26.5627 -26.5627 -25.9112 -25.9112 -25.9067 -25.9067 -9.8083 -9.8083 -9.0827 -9.0827 0.7203 0.7203 2.4855 2.4855 2.6937 2.6937 3.3928 3.3928 3.7210 3.7210 3.8340 3.8340 7.8943 7.8943 8.0858 8.0858 8.1868 8.1868 9.3475 9.3475 9.3864 9.3864 k = 0.1176 0.0679-0.0000 ( 5277 PWs) bands (ev): -49.8698 -49.8698 -26.5633 -26.5633 -25.9123 -25.9123 -25.9068 -25.9068 -9.7953 -9.7953 -9.0806 -9.0806 0.7424 0.7424 2.4540 2.4540 2.6933 2.6933 3.3198 3.3198 3.6996 3.6996 3.8220 3.8220 7.8799 7.8799 8.1083 8.1083 8.2033 8.2033 9.3500 9.3500 9.3913 9.3913 k = 0.1275 0.0736-0.0000 ( 5277 PWs) bands (ev): -49.8696 -49.8696 -26.5639 -26.5639 -25.9135 -25.9135 -25.9069 -25.9069 -9.7812 -9.7812 -9.0783 -9.0783 0.7663 0.7663 2.4209 2.4209 2.6931 2.6931 3.2429 3.2429 3.6770 3.6770 3.8085 3.8085 7.8642 7.8642 8.1320 8.1320 8.2212 8.2212 9.3541 9.3541 9.3968 9.3968 k = 0.1373 0.0792-0.0000 ( 5287 PWs) bands (ev): -49.8695 -49.8695 -26.5645 -26.5645 -25.9148 -25.9148 -25.9069 -25.9069 -9.7662 -9.7662 -9.0758 -9.0758 0.7918 0.7918 2.3866 2.3866 2.6930 2.6930 3.1629 3.1629 3.6535 3.6535 3.7933 3.7933 7.8472 7.8472 8.1568 8.1568 8.2405 8.2405 9.3600 9.3600 9.4031 9.4031 k = 0.1471 0.0849-0.0000 ( 5273 PWs) bands (ev): -49.8693 -49.8693 -26.5652 -26.5652 -25.9163 -25.9163 -25.9069 -25.9069 -9.7503 -9.7503 -9.0733 -9.0733 0.8189 0.8189 2.3511 2.3511 2.6930 2.6930 3.0804 3.0804 3.6290 3.6290 3.7764 3.7764 7.8292 7.8292 8.1825 8.1825 8.2609 8.2609 9.3677 9.3677 9.4102 9.4102 k = 0.1569 0.0906-0.0000 ( 5281 PWs) bands (ev): -49.8691 -49.8691 -26.5659 -26.5659 -25.9178 -25.9178 -25.9069 -25.9069 -9.7335 -9.7335 -9.0707 -9.0707 0.8476 0.8476 2.3148 2.3148 2.6931 2.6931 2.9959 2.9959 3.6036 3.6036 3.7576 3.7576 7.8101 7.8101 8.2089 8.2089 8.2825 8.2825 9.3774 9.3774 9.4180 9.4180 k = 0.1667 0.0962-0.0000 ( 5283 PWs) bands (ev): -49.8689 -49.8689 -26.5667 -26.5667 -25.9193 -25.9193 -25.9069 -25.9069 -9.7159 -9.7159 -9.0679 -9.0679 0.8778 0.8778 2.2776 2.2776 2.6932 2.6932 2.9102 2.9102 3.5774 3.5774 3.7371 3.7371 7.7901 7.7901 8.2359 8.2359 8.3051 8.3051 9.3891 9.3891 9.4266 9.4266 k = 0.1765 0.1019-0.0000 ( 5287 PWs) bands (ev): -49.8688 -49.8688 -26.5675 -26.5675 -25.9210 -25.9210 -25.9069 -25.9069 -9.6976 -9.6976 -9.0651 -9.0651 0.9093 0.9093 2.2398 2.2398 2.6934 2.6934 2.8236 2.8236 3.5506 3.5506 3.7147 3.7147 7.7694 7.7694 8.2635 8.2635 8.3287 8.3287 9.4027 9.4027 9.4360 9.4360 k = 0.1863 0.1075-0.0000 ( 5285 PWs) bands (ev): -49.8686 -49.8686 -26.5683 -26.5683 -25.9227 -25.9227 -25.9068 -25.9068 -9.6785 -9.6785 -9.0623 -9.0623 0.9422 0.9422 2.2013 2.2013 2.6934 2.6934 2.7371 2.7371 3.5233 3.5233 3.6904 3.6904 7.7480 7.7480 8.2914 8.2914 8.3533 8.3533 9.4182 9.4182 9.4463 9.4463 k = 0.1961 0.1132-0.0000 ( 5289 PWs) bands (ev): -49.8684 -49.8684 -26.5691 -26.5691 -25.9244 -25.9244 -25.9068 -25.9068 -9.6589 -9.6589 -9.0594 -9.0594 0.9762 0.9762 2.1622 2.1622 2.6502 2.6502 2.6943 2.6943 3.4955 3.4955 3.6644 3.6644 7.7260 7.7260 8.3196 8.3196 8.3788 8.3788 9.4356 9.4356 9.4573 9.4573 k = 0.2059 0.1189-0.0000 ( 5285 PWs) bands (ev): -49.8682 -49.8682 -26.5700 -26.5700 -25.9262 -25.9262 -25.9067 -25.9067 -9.6386 -9.6386 -9.0565 -9.0565 1.0114 1.0114 2.1222 2.1222 2.5652 2.5652 2.6944 2.6944 3.4675 3.4675 3.6366 3.6366 7.7036 7.7036 8.3479 8.3479 8.4051 8.4051 9.4545 9.4545 9.4692 9.4692 k = 0.2157 0.1245-0.0000 ( 5285 PWs) bands (ev): -49.8680 -49.8680 -26.5709 -26.5709 -25.9280 -25.9280 -25.9067 -25.9067 -9.6178 -9.6178 -9.0535 -9.0535 1.0475 1.0475 2.0813 2.0813 2.4819 2.4819 2.6947 2.6947 3.4392 3.4392 3.6072 3.6072 7.6808 7.6808 8.3763 8.3763 8.4321 8.4321 9.4744 9.4744 9.4826 9.4826 k = 0.2255 0.1302-0.0000 ( 5289 PWs) bands (ev): -49.8678 -49.8678 -26.5718 -26.5718 -25.9298 -25.9298 -25.9066 -25.9066 -9.5965 -9.5965 -9.0506 -9.0506 1.0843 1.0843 2.0392 2.0392 2.4013 2.4013 2.6950 2.6950 3.4108 3.4108 3.5762 3.5762 7.6577 7.6577 8.4047 8.4047 8.4598 8.4598 9.4920 9.4920 9.5003 9.5003 k = 0.2353 0.1358-0.0000 ( 5283 PWs) bands (ev): -49.8676 -49.8676 -26.5727 -26.5727 -25.9316 -25.9316 -25.9065 -25.9065 -9.5748 -9.5748 -9.0477 -9.0477 1.1217 1.1217 1.9953 1.9953 2.3243 2.3243 2.6954 2.6954 3.3824 3.3824 3.5438 3.5438 7.6344 7.6344 8.4329 8.4329 8.4880 8.4880 9.5067 9.5067 9.5230 9.5230 k = 0.2451 0.1415-0.0000 ( 5283 PWs) bands (ev): -49.8673 -49.8673 -26.5736 -26.5736 -25.9335 -25.9335 -25.9065 -25.9065 -9.5528 -9.5528 -9.0449 -9.0449 1.1594 1.1594 1.9492 1.9492 2.2521 2.2521 2.6959 2.6959 3.3540 3.3540 3.5100 3.5100 7.6111 7.6111 8.4610 8.4610 8.5168 8.5168 9.5211 9.5211 9.5475 9.5475 k = 0.2549 0.1472-0.0000 ( 5277 PWs) bands (ev): -49.8671 -49.8671 -26.5746 -26.5746 -25.9353 -25.9353 -25.9064 -25.9064 -9.5305 -9.5305 -9.0422 -9.0422 1.1969 1.1969 1.9006 1.9006 2.1857 2.1857 2.6963 2.6963 3.3257 3.3257 3.4751 3.4751 7.5879 7.5879 8.4888 8.4888 8.5460 8.5460 9.5359 9.5359 9.5732 9.5732 k = 0.2647 0.1528-0.0000 ( 5265 PWs) bands (ev): -49.8669 -49.8669 -26.5755 -26.5755 -25.9371 -25.9371 -25.9063 -25.9063 -9.5081 -9.5081 -9.0395 -9.0395 1.2336 1.2336 1.8495 1.8495 2.1258 2.1258 2.6969 2.6969 3.2975 3.2975 3.4391 3.4391 7.5647 7.5647 8.5162 8.5162 8.5755 8.5755 9.5510 9.5510 9.5997 9.5997 k = 0.2745 0.1585-0.0000 ( 5269 PWs) bands (ev): -49.8667 -49.8667 -26.5764 -26.5764 -25.9389 -25.9389 -25.9062 -25.9062 -9.4855 -9.4855 -9.0370 -9.0370 1.2685 1.2685 1.7969 1.7969 2.0728 2.0728 2.6975 2.6975 3.2696 3.2696 3.4022 3.4022 7.5417 7.5417 8.5432 8.5432 8.6052 8.6052 9.5663 9.5663 9.6268 9.6268 k = 0.2843 0.1641-0.0000 ( 5273 PWs) bands (ev): -49.8665 -49.8665 -26.5774 -26.5774 -25.9407 -25.9407 -25.9061 -25.9061 -9.4628 -9.4628 -9.0346 -9.0346 1.3000 1.3000 1.7451 1.7451 2.0262 2.0262 2.6982 2.6982 3.2418 3.2418 3.3647 3.3647 7.5191 7.5191 8.5697 8.5697 8.6350 8.6350 9.5819 9.5819 9.6543 9.6543 k = 0.2941 0.1698-0.0000 ( 5269 PWs) bands (ev): -49.8663 -49.8663 -26.5783 -26.5783 -25.9425 -25.9425 -25.9061 -25.9061 -9.4402 -9.4402 -9.0324 -9.0324 1.3251 1.3251 1.6978 1.6978 1.9854 1.9854 2.6989 2.6989 3.2141 3.2141 3.3268 3.3268 7.4968 7.4968 8.5957 8.5957 8.6648 8.6648 9.5975 9.5975 9.6821 9.6821 k = 0.3039 0.1755-0.0000 ( 5268 PWs) bands (ev): -49.8661 -49.8661 -26.5792 -26.5792 -25.9442 -25.9442 -25.9060 -25.9060 -9.4176 -9.4176 -9.0304 -9.0304 1.3390 1.3390 1.6608 1.6608 1.9497 1.9497 2.6998 2.6998 3.1865 3.1865 3.2886 3.2886 7.4751 7.4751 8.6211 8.6211 8.6945 8.6945 9.6132 9.6132 9.7099 9.7099 k = 0.3137 0.1811-0.0000 ( 5264 PWs) bands (ev): -49.8659 -49.8659 -26.5801 -26.5801 -25.9459 -25.9459 -25.9059 -25.9059 -9.3953 -9.3953 -9.0286 -9.0286 1.3359 1.3359 1.6405 1.6405 1.9184 1.9184 2.7007 2.7007 3.1586 3.1586 3.2508 3.2508 7.4538 7.4538 8.6459 8.6459 8.7238 8.7238 9.6288 9.6288 9.7376 9.7376 k = 0.3235 0.1868-0.0000 ( 5268 PWs) bands (ev): -49.8657 -49.8657 -26.5810 -26.5810 -25.9476 -25.9476 -25.9058 -25.9058 -9.3731 -9.3731 -9.0271 -9.0271 1.3137 1.3137 1.6396 1.6396 1.8913 1.8913 2.7017 2.7017 3.1302 3.1302 3.2137 3.2137 7.4332 7.4332 8.6699 8.6699 8.7528 8.7528 9.6442 9.6442 9.7649 9.7649 k = 0.3333 0.1925-0.0000 ( 5270 PWs) bands (ev): -49.8655 -49.8655 -26.5818 -26.5818 -25.9492 -25.9492 -25.9057 -25.9057 -9.3513 -9.3513 -9.0258 -9.0258 1.2765 1.2765 1.6535 1.6535 1.8686 1.8686 2.7029 2.7029 3.1005 3.1005 3.1782 3.1782 7.4133 7.4133 8.6931 8.6931 8.7811 8.7811 9.6594 9.6594 9.7918 9.7918 k = 0.3431 0.1981-0.0000 ( 5264 PWs) bands (ev): -49.8654 -49.8654 -26.5827 -26.5827 -25.9507 -25.9507 -25.9056 -25.9056 -9.3298 -9.3298 -9.0249 -9.0249 1.2308 1.2308 1.6749 1.6749 1.8516 1.8516 2.7042 2.7042 3.0691 3.0691 3.1450 3.1450 7.3942 7.3942 8.7155 8.7155 8.8087 8.8087 9.6742 9.6742 9.8181 9.8181 k = 0.3529 0.2038-0.0000 ( 5268 PWs) bands (ev): -49.8652 -49.8652 -26.5835 -26.5835 -25.9521 -25.9521 -25.9056 -25.9056 -9.3088 -9.3088 -9.0243 -9.0243 1.1815 1.1815 1.6962 1.6962 1.8429 1.8429 2.7056 2.7056 3.0353 3.0353 3.1148 3.1148 7.3759 7.3759 8.7370 8.7370 8.8354 8.8354 9.6886 9.6886 9.8436 9.8436 k = 0.3627 0.2094-0.0000 ( 5264 PWs) bands (ev): -49.8650 -49.8650 -26.5842 -26.5842 -25.9535 -25.9535 -25.9055 -25.9055 -9.2883 -9.2883 -9.0240 -9.0240 1.1314 1.1314 1.7104 1.7104 1.8469 1.8469 2.7071 2.7071 2.9992 2.9992 3.0877 3.0877 7.3585 7.3585 8.7575 8.7575 8.8611 8.8611 9.7024 9.7024 9.8682 9.8682 k = 0.3725 0.2151-0.0000 ( 5256 PWs) bands (ev): -49.8649 -49.8649 -26.5850 -26.5850 -25.9549 -25.9549 -25.9054 -25.9054 -9.2683 -9.2683 -9.0242 -9.0242 1.0820 1.0820 1.7138 1.7138 1.8656 1.8656 2.7087 2.7087 2.9613 2.9613 3.0633 3.0633 7.3420 7.3420 8.7770 8.7770 8.8856 8.8856 9.7157 9.7157 9.8919 9.8919 k = 0.3824 0.2208-0.0000 ( 5254 PWs) bands (ev): -49.8647 -49.8647 -26.5856 -26.5856 -25.9561 -25.9561 -25.9054 -25.9054 -9.2490 -9.2490 -9.0248 -9.0248 1.0346 1.0346 1.7092 1.7092 1.8953 1.8953 2.7104 2.7104 2.9222 2.9222 3.0413 3.0413 7.3265 7.3265 8.7954 8.7954 8.9087 8.9087 9.7282 9.7282 9.9145 9.9145 k = 0.3922 0.2264-0.0000 ( 5252 PWs) bands (ev): -49.8646 -49.8646 -26.5863 -26.5863 -25.9573 -25.9573 -25.9053 -25.9053 -9.2303 -9.2303 -9.0259 -9.0259 0.9896 0.9896 1.7007 1.7007 1.9312 1.9312 2.7122 2.7122 2.8823 2.8823 3.0212 3.0212 7.3121 7.3121 8.8127 8.8127 8.9304 8.9304 9.7401 9.7401 9.9358 9.9358 k = 0.4020 0.2321-0.0000 ( 5250 PWs) bands (ev): -49.8645 -49.8645 -26.5869 -26.5869 -25.9583 -25.9583 -25.9052 -25.9052 -9.2124 -9.2124 -9.0275 -9.0275 0.9476 0.9476 1.6909 1.6909 1.9704 1.9704 2.7137 2.7137 2.8422 2.8422 3.0028 3.0028 7.2988 7.2988 8.8287 8.8287 8.9504 8.9504 9.7511 9.7511 9.9559 9.9559 k = 0.4118 0.2377-0.0000 ( 5258 PWs) bands (ev): -49.8643 -49.8643 -26.5874 -26.5874 -25.9593 -25.9593 -25.9052 -25.9052 -9.1952 -9.1952 -9.0296 -9.0296 0.9088 0.9088 1.6811 1.6811 2.0111 2.0111 2.7148 2.7148 2.8024 2.8024 2.9860 2.9860 7.2866 7.2866 8.8434 8.8434 8.9688 8.9688 9.7612 9.7612 9.9746 9.9746 k = 0.4216 0.2434-0.0000 ( 5254 PWs) bands (ev): -49.8642 -49.8642 -26.5879 -26.5879 -25.9602 -25.9602 -25.9051 -25.9051 -9.1788 -9.1788 -9.0323 -9.0323 0.8737 0.8737 1.6718 1.6718 2.0527 2.0527 2.7138 2.7138 2.7648 2.7648 2.9708 2.9708 7.2756 7.2756 8.8568 8.8568 8.9854 8.9854 9.7704 9.7704 9.9917 9.9917 k = 0.4314 0.2491-0.0000 ( 5254 PWs) bands (ev): -49.8641 -49.8641 -26.5884 -26.5884 -25.9610 -25.9610 -25.9051 -25.9051 -9.1633 -9.1633 -9.0356 -9.0356 0.8422 0.8422 1.6634 1.6634 2.0946 2.0946 2.7018 2.7018 2.7383 2.7383 2.9570 2.9570 7.2658 7.2658 8.8688 8.8688 9.0002 9.0002 9.7786 9.7786 10.0072 10.0072 k = 0.4412 0.2547-0.0000 ( 5242 PWs) bands (ev): -49.8641 -49.8641 -26.5888 -26.5888 -25.9617 -25.9617 -25.9050 -25.9050 -9.1486 -9.1486 -9.0396 -9.0396 0.8147 0.8147 1.6560 1.6560 2.1363 2.1363 2.6701 2.6701 2.7317 2.7317 2.9449 2.9449 7.2573 7.2573 8.8793 8.8793 9.0130 9.0130 9.7858 9.7858 10.0210 10.0210 k = 0.4510 0.2604-0.0000 ( 5242 PWs) bands (ev): -49.8640 -49.8640 -26.5891 -26.5891 -25.9622 -25.9622 -25.9050 -25.9050 -9.1348 -9.1348 -9.0443 -9.0443 0.7913 0.7913 1.6496 1.6496 2.1775 2.1775 2.6323 2.6323 2.7316 2.7316 2.9343 2.9343 7.2500 7.2500 8.8882 8.8882 9.0239 9.0239 9.7920 9.7920 10.0329 10.0329 k = 0.4608 0.2660-0.0000 ( 5246 PWs) bands (ev): -49.8639 -49.8639 -26.5894 -26.5894 -25.9627 -25.9627 -25.9050 -25.9050 -9.1218 -9.1218 -9.0496 -9.0496 0.7719 0.7719 1.6444 1.6444 2.2177 2.2177 2.5939 2.5939 2.7327 2.7327 2.9255 2.9255 7.2440 7.2440 8.8957 8.8957 9.0328 9.0328 9.7971 9.7971 10.0429 10.0429 k = 0.4706 0.2717-0.0000 ( 5238 PWs) bands (ev): -49.8639 -49.8639 -26.5896 -26.5896 -25.9631 -25.9631 -25.9049 -25.9049 -9.1098 -9.1098 -9.0558 -9.0558 0.7568 0.7568 1.6403 1.6403 2.2561 2.2561 2.5568 2.5568 2.7340 2.7340 2.9184 2.9184 7.2394 7.2394 8.9015 8.9015 9.0398 9.0398 9.8011 9.8011 10.0507 10.0507 k = 0.4804 0.2774-0.0000 ( 5234 PWs) bands (ev): -49.8639 -49.8639 -26.5898 -26.5898 -25.9634 -25.9634 -25.9049 -25.9049 -9.0986 -9.0986 -9.0627 -9.0627 0.7460 0.7460 1.6374 1.6374 2.2908 2.2908 2.5229 2.5229 2.7351 2.7351 2.9133 2.9133 7.2360 7.2360 8.9056 8.9056 9.0447 9.0447 9.8039 9.8039 10.0564 10.0564 k = 0.4902 0.2830-0.0000 ( 5238 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9635 -25.9635 -25.9049 -25.9049 -9.0884 -9.0884 -9.0704 -9.0704 0.7394 0.7394 1.6356 1.6356 2.3178 2.3178 2.4964 2.4964 2.7358 2.7358 2.9102 2.9102 7.2340 7.2340 8.9081 8.9081 9.0477 9.0477 9.8057 9.8057 10.0598 10.0598 k = 0.5000 0.2887-0.0000 ( 5234 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.0790 -9.0790 -9.0789 -9.0789 0.7373 0.7373 1.6350 1.6350 2.3288 2.3288 2.4856 2.4856 2.7361 2.7361 2.9092 2.9092 7.2333 7.2333 8.9090 8.9090 9.0487 9.0487 9.8062 9.8062 10.0610 10.0610 k = 0.5000 0.2887-0.0000 ( 5234 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.0790 -9.0790 -9.0789 -9.0789 0.7373 0.7373 1.6350 1.6350 2.3288 2.3288 2.4856 2.4856 2.7361 2.7361 2.9092 2.9092 7.2333 7.2333 8.9090 8.9090 9.0487 9.0487 9.8062 9.8062 10.0610 10.0610 k = 0.4944 0.2983-0.0000 ( 5238 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.0790 -9.0790 -9.0787 -9.0787 0.7382 0.7382 1.6352 1.6352 2.3284 2.3284 2.4858 2.4858 2.7360 2.7360 2.9060 2.9060 7.2361 7.2361 8.9082 8.9082 9.0479 9.0479 9.8046 9.8046 10.0604 10.0604 k = 0.4889 0.3079-0.0000 ( 5232 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9050 -25.9050 -9.0787 -9.0787 -9.0781 -9.0781 0.7409 0.7409 1.6356 1.6356 2.3270 2.3270 2.4863 2.4863 2.7356 2.7356 2.8966 2.8966 7.2444 7.2444 8.9061 8.9061 9.0456 9.0456 9.7999 9.7999 10.0588 10.0588 k = 0.4833 0.3175-0.0000 ( 5232 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9051 -25.9051 -9.0783 -9.0783 -9.0772 -9.0772 0.7455 0.7455 1.6362 1.6362 2.3248 2.3248 2.4873 2.4873 2.7349 2.7349 2.8810 2.8810 7.2580 7.2580 8.9025 8.9025 9.0417 9.0417 9.7923 9.7923 10.0562 10.0562 k = 0.4778 0.3272-0.0000 ( 5236 PWs) bands (ev): -49.8638 -49.8638 -26.5900 -26.5900 -25.9636 -25.9636 -25.9053 -25.9053 -9.0776 -9.0776 -9.0760 -9.0760 0.7518 0.7518 1.6371 1.6371 2.3218 2.3218 2.4885 2.4885 2.7337 2.7337 2.8596 2.8596 7.2768 7.2768 8.8975 8.8975 9.0362 9.0362 9.7820 9.7820 10.0524 10.0524 k = 0.4722 0.3368-0.0000 ( 5228 PWs) bands (ev): -49.8638 -49.8638 -26.5900 -26.5900 -25.9636 -25.9636 -25.9055 -25.9055 -9.0768 -9.0768 -9.0744 -9.0744 0.7600 0.7600 1.6382 1.6382 2.3182 2.3182 2.4901 2.4901 2.7321 2.7321 2.8327 2.8327 7.3005 7.3005 8.8913 8.8913 9.0292 9.0292 9.7694 9.7694 10.0476 10.0476 k = 0.4667 0.3464-0.0000 ( 5232 PWs) bands (ev): -49.8638 -49.8638 -26.5901 -26.5901 -25.9636 -25.9636 -25.9057 -25.9057 -9.0758 -9.0758 -9.0726 -9.0726 0.7700 0.7700 1.6394 1.6394 2.3140 2.3140 2.4919 2.4919 2.7295 2.7295 2.8010 2.8010 7.3289 7.3289 8.8839 8.8839 9.0207 9.0207 9.7550 9.7550 10.0417 10.0417 k = 0.4611 0.3560-0.0000 ( 5226 PWs) bands (ev): -49.8637 -49.8637 -26.5902 -26.5902 -25.9636 -25.9636 -25.9059 -25.9059 -9.0747 -9.0747 -9.0705 -9.0705 0.7817 0.7817 1.6408 1.6408 2.3095 2.3095 2.4940 2.4940 2.7247 2.7247 2.7662 2.7662 7.3615 7.3615 8.8754 8.8754 9.0107 9.0107 9.7391 9.7391 10.0348 10.0348 k = 0.4556 0.3657-0.0000 ( 5224 PWs) bands (ev): -49.8637 -49.8637 -26.5902 -26.5902 -25.9636 -25.9636 -25.9062 -25.9062 -9.0734 -9.0734 -9.0680 -9.0680 0.7951 0.7951 1.6422 1.6422 2.3048 2.3048 2.4962 2.4962 2.7081 2.7081 2.7382 2.7382 7.3980 7.3980 8.8660 8.8660 8.9992 8.9992 9.7221 9.7221 10.0267 10.0267 k = 0.4500 0.3753-0.0000 ( 5226 PWs) bands (ev): -49.8637 -49.8637 -26.5903 -26.5903 -25.9636 -25.9636 -25.9066 -25.9066 -9.0719 -9.0719 -9.0654 -9.0654 0.8102 0.8102 1.6437 1.6437 2.3002 2.3002 2.4984 2.4984 2.6690 2.6690 2.7281 2.7281 7.4380 7.4380 8.8557 8.8557 8.9863 8.9863 9.7046 9.7046 10.0176 10.0176 k = 0.4444 0.3849-0.0000 ( 5222 PWs) bands (ev): -49.8636 -49.8636 -26.5904 -26.5904 -25.9636 -25.9636 -25.9069 -25.9069 -9.0703 -9.0703 -9.0625 -9.0625 0.8270 0.8270 1.6451 1.6451 2.2956 2.2956 2.5007 2.5007 2.6215 2.6215 2.7225 2.7225 7.4811 7.4811 8.8448 8.8448 8.9721 8.9721 9.6869 9.6869 10.0075 10.0075 k = 0.4389 0.3945-0.0000 ( 5232 PWs) bands (ev): -49.8636 -49.8636 -26.5905 -26.5905 -25.9636 -25.9636 -25.9073 -25.9073 -9.0685 -9.0685 -9.0594 -9.0594 0.8455 0.8455 1.6465 1.6465 2.2913 2.2913 2.5025 2.5025 2.5705 2.5705 2.7171 2.7171 7.5269 7.5269 8.8333 8.8333 8.9565 8.9565 9.6694 9.6694 9.9963 9.9963 k = 0.4333 0.4041-0.0000 ( 5232 PWs) bands (ev): -49.8636 -49.8636 -26.5907 -26.5907 -25.9636 -25.9636 -25.9076 -25.9076 -9.0666 -9.0666 -9.0562 -9.0562 0.8655 0.8655 1.6477 1.6477 2.2873 2.2873 2.5001 2.5001 2.5211 2.5211 2.7113 2.7113 7.5749 7.5749 8.8214 8.8214 8.9396 8.9396 9.6524 9.6524 9.9841 9.9841 k = 0.4278 0.4138-0.0000 ( 5228 PWs) bands (ev): -49.8635 -49.8635 -26.5908 -26.5908 -25.9637 -25.9637 -25.9080 -25.9080 -9.0646 -9.0646 -9.0529 -9.0529 0.8870 0.8870 1.6487 1.6487 2.2835 2.2835 2.4572 2.4572 2.5104 2.5104 2.7049 2.7049 7.6249 7.6249 8.8091 8.8091 8.9215 8.9215 9.6363 9.6363 9.9708 9.9708 k = 0.4222 0.4234-0.0000 ( 5244 PWs) bands (ev): -49.8635 -49.8635 -26.5909 -26.5909 -25.9637 -25.9637 -25.9084 -25.9084 -9.0625 -9.0625 -9.0495 -9.0495 0.9100 0.9100 1.6495 1.6495 2.2793 2.2793 2.4021 2.4021 2.5115 2.5115 2.6978 2.6978 7.6765 7.6765 8.7965 8.7965 8.9022 8.9022 9.6212 9.6212 9.9566 9.9566 k = 0.4167 0.4330-0.0000 ( 5248 PWs) bands (ev): -49.8634 -49.8634 -26.5910 -26.5910 -25.9637 -25.9637 -25.9088 -25.9088 -9.0602 -9.0602 -9.0461 -9.0461 0.9344 0.9344 1.6500 1.6500 2.2715 2.2715 2.3498 2.3498 2.5130 2.5130 2.6899 2.6899 7.7293 7.7293 8.7837 8.7837 8.8819 8.8819 9.6074 9.6074 9.9415 9.9415 k = 0.4111 0.4426-0.0000 ( 5252 PWs) bands (ev): -49.8634 -49.8634 -26.5912 -26.5912 -25.9638 -25.9638 -25.9092 -25.9092 -9.0579 -9.0579 -9.0426 -9.0426 0.9602 0.9602 1.6501 1.6501 2.2478 2.2478 2.3137 2.3137 2.5142 2.5142 2.6814 2.6814 7.7831 7.7831 8.7707 8.7707 8.8606 8.8606 9.5952 9.5952 9.9255 9.9255 k = 0.4056 0.4523-0.0000 ( 5244 PWs) bands (ev): -49.8633 -49.8633 -26.5913 -26.5913 -25.9638 -25.9638 -25.9095 -25.9095 -9.0555 -9.0555 -9.0392 -9.0392 0.9872 0.9872 1.6498 1.6498 2.2003 2.2003 2.3025 2.3025 2.5150 2.5150 2.6722 2.6722 7.8375 7.8375 8.7575 8.7575 8.8384 8.8384 9.5848 9.5848 9.9086 9.9086 k = 0.4000 0.4619-0.0000 ( 5244 PWs) bands (ev): -49.8633 -49.8633 -26.5914 -26.5914 -25.9639 -25.9639 -25.9099 -25.9099 -9.0530 -9.0530 -9.0359 -9.0359 1.0154 1.0154 1.6492 1.6492 2.1438 2.1438 2.3019 2.3019 2.5153 2.5153 2.6624 2.6624 7.8923 7.8923 8.7442 8.7442 8.8155 8.8155 9.5762 9.5762 9.8910 9.8910 k = 0.3944 0.4715-0.0000 ( 5244 PWs) bands (ev): -49.8633 -49.8633 -26.5916 -26.5916 -25.9640 -25.9640 -25.9102 -25.9102 -9.0505 -9.0505 -9.0328 -9.0328 1.0446 1.0446 1.6482 1.6482 2.0854 2.0854 2.3053 2.3053 2.5149 2.5149 2.6520 2.6520 7.9472 7.9472 8.7305 8.7305 8.7919 8.7919 9.5697 9.5697 9.8726 9.8726 k = 0.3889 0.4811-0.0000 ( 5256 PWs) bands (ev): -49.8632 -49.8632 -26.5917 -26.5917 -25.9641 -25.9641 -25.9106 -25.9106 -9.0480 -9.0480 -9.0299 -9.0299 1.0747 1.0747 1.6468 1.6468 2.0271 2.0271 2.3110 2.3110 2.5138 2.5138 2.6413 2.6413 8.0020 8.0020 8.7165 8.7165 8.7678 8.7678 9.5654 9.5654 9.8536 9.8536 k = 0.3833 0.4907-0.0000 ( 5256 PWs) bands (ev): -49.8632 -49.8632 -26.5918 -26.5918 -25.9642 -25.9642 -25.9109 -25.9109 -9.0454 -9.0454 -9.0272 -9.0272 1.1055 1.1055 1.6450 1.6450 1.9698 1.9698 2.3188 2.3188 2.5119 2.5119 2.6302 2.6302 8.0566 8.0566 8.7019 8.7019 8.7436 8.7436 9.5634 9.5634 9.8341 9.8341 k = 0.3778 0.5004-0.0000 ( 5244 PWs) bands (ev): -49.8631 -49.8631 -26.5920 -26.5920 -25.9643 -25.9643 -25.9111 -25.9111 -9.0428 -9.0428 -9.0248 -9.0248 1.1368 1.1368 1.6429 1.6429 1.9143 1.9143 2.3283 2.3283 2.5091 2.5091 2.6190 2.6190 8.1106 8.1106 8.6864 8.6864 8.7195 8.7195 9.5638 9.5638 9.8142 9.8142 k = 0.3722 0.5100-0.0000 ( 5240 PWs) bands (ev): -49.8631 -49.8631 -26.5921 -26.5921 -25.9644 -25.9644 -25.9114 -25.9114 -9.0402 -9.0402 -9.0228 -9.0228 1.1683 1.1683 1.6404 1.6404 1.8612 1.8612 2.3395 2.3395 2.5052 2.5052 2.6077 2.6077 8.1638 8.1638 8.6693 8.6693 8.6964 8.6964 9.5666 9.5666 9.7939 9.7939 k = 0.3667 0.5196-0.0000 ( 5252 PWs) bands (ev): -49.8631 -49.8631 -26.5922 -26.5922 -25.9644 -25.9644 -25.9116 -25.9116 -9.0376 -9.0376 -9.0211 -9.0211 1.1996 1.1996 1.6374 1.6374 1.8113 1.8113 2.3521 2.3521 2.5003 2.5003 2.5964 2.5964 8.2160 8.2160 8.6500 8.6500 8.6751 8.6751 9.5719 9.5719 9.7734 9.7734 k = 0.3611 0.5292-0.0000 ( 5250 PWs) bands (ev): -49.8630 -49.8630 -26.5923 -26.5923 -25.9645 -25.9645 -25.9117 -25.9117 -9.0350 -9.0350 -9.0199 -9.0199 1.2300 1.2300 1.6338 1.6338 1.7656 1.7656 2.3661 2.3661 2.4943 2.4943 2.5855 2.5855 8.2668 8.2668 8.6283 8.6283 8.6559 8.6559 9.5796 9.5796 9.7527 9.7527 k = 0.3556 0.5389-0.0000 ( 5250 PWs) bands (ev): -49.8630 -49.8630 -26.5924 -26.5924 -25.9646 -25.9646 -25.9119 -25.9119 -9.0325 -9.0325 -9.0192 -9.0192 1.2588 1.2588 1.6292 1.6292 1.7257 1.7257 2.3812 2.3812 2.4872 2.4872 2.5751 2.5751 8.3158 8.3158 8.6053 8.6053 8.6382 8.6382 9.5897 9.5897 9.7321 9.7321 k = 0.3500 0.5485-0.0000 ( 5248 PWs) bands (ev): -49.8630 -49.8630 -26.5924 -26.5924 -25.9647 -25.9647 -25.9120 -25.9120 -9.0301 -9.0301 -9.0191 -9.0191 1.2845 1.2845 1.6226 1.6226 1.6940 1.6940 2.3972 2.3972 2.4789 2.4789 2.5656 2.5656 8.3621 8.3621 8.5827 8.5827 8.6211 8.6211 9.6020 9.6020 9.7115 9.7115 k = 0.3444 0.5581-0.0000 ( 5248 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9647 -25.9647 -25.9121 -25.9121 -9.0277 -9.0277 -9.0195 -9.0195 1.3054 1.3054 1.6139 1.6139 1.6727 1.6727 2.4133 2.4133 2.4695 2.4695 2.5574 2.5574 8.4036 8.4036 8.5625 8.5625 8.6044 8.6044 9.6166 9.6166 9.6912 9.6912 k = 0.3389 0.5677-0.0000 ( 5252 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9121 -25.9121 -9.0256 -9.0256 -9.0204 -9.0204 1.3191 1.3191 1.6056 1.6056 1.6617 1.6617 2.4286 2.4286 2.4593 2.4593 2.5514 2.5514 8.4352 8.4352 8.5494 8.5494 8.5889 8.5889 9.6331 9.6331 9.6713 9.6713 k = 0.3333 0.5774-0.0000 ( 5256 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9121 -25.9121 -9.0245 -9.0245 -9.0212 -9.0212 1.3238 1.3238 1.6022 1.6022 1.6585 1.6585 2.4379 2.4379 2.4521 2.4521 2.5491 2.5491 8.4470 8.4470 8.5477 8.5477 8.5797 8.5797 9.6500 9.6500 9.6533 9.6533 k = 0.3333 0.5774-0.0000 ( 5256 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9121 -25.9121 -9.0245 -9.0245 -9.0212 -9.0212 1.3238 1.3238 1.6022 1.6022 1.6585 1.6585 2.4379 2.4379 2.4521 2.4521 2.5491 2.5491 8.4470 8.4470 8.5477 8.5477 8.5797 8.5797 9.6500 9.6500 9.6533 9.6533 k = 0.3277 0.5676-0.0000 ( 5252 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9121 -25.9121 -9.0259 -9.0259 -9.0201 -9.0201 1.3193 1.3193 1.6052 1.6052 1.6619 1.6619 2.4288 2.4288 2.4583 2.4583 2.5522 2.5522 8.4381 8.4381 8.5404 8.5404 8.5950 8.5950 9.6322 9.6322 9.6721 9.6721 k = 0.3220 0.5578-0.0000 ( 5256 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9647 -25.9647 -25.9121 -25.9121 -9.0291 -9.0291 -9.0183 -9.0183 1.3078 1.3078 1.6114 1.6114 1.6734 1.6734 2.4137 2.4137 2.4645 2.4645 2.5622 2.5622 8.4191 8.4191 8.5242 8.5242 8.6271 8.6271 9.6136 9.6136 9.6940 9.6940 k = 0.3164 0.5480-0.0000 ( 5260 PWs) bands (ev): -49.8630 -49.8630 -26.5924 -26.5924 -25.9646 -25.9646 -25.9120 -25.9120 -9.0333 -9.0333 -9.0165 -9.0165 1.2922 1.2922 1.6167 1.6167 1.6938 1.6938 2.3962 2.3962 2.4672 2.4672 2.5787 2.5787 8.3965 8.3965 8.5057 8.5057 8.6631 8.6631 9.5956 9.5956 9.7171 9.7171 k = 0.3107 0.5382-0.0000 ( 5260 PWs) bands (ev): -49.8630 -49.8630 -26.5923 -26.5923 -25.9645 -25.9645 -25.9119 -25.9119 -9.0384 -9.0384 -9.0147 -9.0147 1.2751 1.2751 1.6204 1.6204 1.7215 1.7215 2.3767 2.3767 2.4679 2.4679 2.6000 2.6000 8.3727 8.3727 8.4864 8.4864 8.6991 8.6991 9.5784 9.5784 9.7412 9.7412 k = 0.3051 0.5284-0.0000 ( 5254 PWs) bands (ev): -49.8631 -49.8631 -26.5922 -26.5922 -25.9643 -25.9643 -25.9118 -25.9118 -9.0444 -9.0444 -9.0131 -9.0131 1.2584 1.2584 1.6232 1.6232 1.7540 1.7540 2.3554 2.3554 2.4681 2.4681 2.6245 2.6245 8.3485 8.3485 8.4666 8.4666 8.7340 8.7340 9.5620 9.5620 9.7659 9.7659 k = 0.2994 0.5186-0.0000 ( 5254 PWs) bands (ev): -49.8631 -49.8631 -26.5920 -26.5920 -25.9641 -25.9641 -25.9117 -25.9117 -9.0513 -9.0513 -9.0117 -9.0117 1.2432 1.2432 1.6257 1.6257 1.7894 1.7894 2.3323 2.3323 2.4688 2.4688 2.6513 2.6513 8.3243 8.3243 8.4465 8.4465 8.7671 8.7671 9.5464 9.5464 9.7909 9.7909 k = 0.2938 0.5089-0.0000 ( 5254 PWs) bands (ev): -49.8632 -49.8632 -26.5918 -26.5918 -25.9638 -25.9638 -25.9115 -25.9115 -9.0592 -9.0592 -9.0104 -9.0104 1.2302 1.2302 1.6282 1.6282 1.8265 1.8265 2.3075 2.3075 2.4706 2.4706 2.6798 2.6798 8.3005 8.3005 8.4261 8.4261 8.7982 8.7982 9.5317 9.5317 9.8158 9.8158 k = 0.2881 0.4991-0.0000 ( 5252 PWs) bands (ev): -49.8632 -49.8632 -26.5916 -26.5916 -25.9635 -25.9635 -25.9113 -25.9113 -9.0680 -9.0680 -9.0092 -9.0092 1.2201 1.2201 1.6312 1.6312 1.8646 1.8646 2.2811 2.2811 2.4738 2.4738 2.7096 2.7096 8.2770 8.2770 8.4055 8.4055 8.8271 8.8271 9.5176 9.5176 9.8405 9.8405 k = 0.2825 0.4893-0.0000 ( 5248 PWs) bands (ev): -49.8633 -49.8633 -26.5913 -26.5913 -25.9631 -25.9631 -25.9112 -25.9112 -9.0778 -9.0778 -9.0083 -9.0083 1.2132 1.2132 1.6346 1.6346 1.9031 1.9031 2.2533 2.2533 2.4788 2.4788 2.7405 2.7405 8.2541 8.2541 8.3849 8.3849 8.8538 8.8538 9.5042 9.5042 9.8645 9.8645 k = 0.2768 0.4795-0.0000 ( 5258 PWs) bands (ev): -49.8633 -49.8633 -26.5910 -26.5910 -25.9626 -25.9626 -25.9110 -25.9110 -9.0885 -9.0885 -9.0075 -9.0075 1.2096 1.2096 1.6385 1.6385 1.9413 1.9413 2.2244 2.2244 2.4857 2.4857 2.7723 2.7723 8.2318 8.2318 8.3642 8.3642 8.8780 8.8780 9.4914 9.4914 9.8874 9.8874 k = 0.2712 0.4697-0.0000 ( 5260 PWs) bands (ev): -49.8634 -49.8634 -26.5907 -26.5907 -25.9621 -25.9621 -25.9108 -25.9108 -9.1002 -9.1002 -9.0070 -9.0070 1.2095 1.2095 1.6431 1.6431 1.9785 1.9785 2.1950 2.1950 2.4946 2.4946 2.8049 2.8049 8.2102 8.2102 8.3435 8.3435 8.8999 8.8999 9.4791 9.4791 9.9090 9.9090 k = 0.2655 0.4599-0.0000 ( 5266 PWs) bands (ev): -49.8635 -49.8635 -26.5903 -26.5903 -25.9615 -25.9615 -25.9106 -25.9106 -9.1129 -9.1129 -9.0066 -9.0066 1.2130 1.2130 1.6483 1.6483 2.0132 2.0132 2.1665 2.1665 2.5056 2.5056 2.8381 2.8381 8.1893 8.1893 8.3230 8.3230 8.9194 8.9194 9.4671 9.4671 9.9290 9.9290 k = 0.2599 0.4501-0.0000 ( 5266 PWs) bands (ev): -49.8636 -49.8636 -26.5898 -26.5898 -25.9609 -25.9609 -25.9104 -25.9104 -9.1264 -9.1264 -9.0065 -9.0065 1.2201 1.2201 1.6543 1.6543 2.0407 2.0407 2.1435 2.1435 2.5187 2.5187 2.8720 2.8720 8.1693 8.1693 8.3025 8.3025 8.9365 8.9365 9.4552 9.4552 9.9469 9.9469 k = 0.2542 0.4404-0.0000 ( 5266 PWs) bands (ev): -49.8637 -49.8637 -26.5894 -26.5894 -25.9601 -25.9601 -25.9102 -25.9102 -9.1409 -9.1409 -9.0065 -9.0065 1.2309 1.2309 1.6611 1.6611 2.0475 2.0475 2.1395 2.1395 2.5340 2.5340 2.9063 2.9063 8.1501 8.1501 8.2823 8.2823 8.9512 8.9512 9.4435 9.4435 9.9625 9.9625 k = 0.2486 0.4306-0.0000 ( 5260 PWs) bands (ev): -49.8639 -49.8639 -26.5889 -26.5889 -25.9593 -25.9593 -25.9100 -25.9100 -9.1563 -9.1563 -9.0068 -9.0068 1.2453 1.2453 1.6686 1.6686 2.0284 2.0284 2.1599 2.1599 2.5514 2.5514 2.9410 2.9410 8.1319 8.1319 8.2623 8.2623 8.9636 8.9636 9.4318 9.4318 9.9755 9.9755 k = 0.2429 0.4208-0.0000 ( 5254 PWs) bands (ev): -49.8640 -49.8640 -26.5883 -26.5883 -25.9585 -25.9585 -25.9098 -25.9098 -9.1726 -9.1726 -9.0072 -9.0072 1.2631 1.2631 1.6770 1.6770 1.9977 1.9977 2.1902 2.1902 2.5711 2.5711 2.9761 2.9761 8.1146 8.1146 8.2426 8.2426 8.9736 8.9736 9.4200 9.4200 9.9857 9.9857 k = 0.2373 0.4110-0.0000 ( 5262 PWs) bands (ev): -49.8641 -49.8641 -26.5877 -26.5877 -25.9575 -25.9575 -25.9096 -25.9096 -9.1896 -9.1896 -9.0079 -9.0079 1.2842 1.2842 1.6862 1.6862 1.9634 1.9634 2.2230 2.2230 2.5929 2.5929 3.0114 3.0114 8.0983 8.0983 8.2233 8.2233 8.9811 8.9811 9.4082 9.4082 9.9929 9.9929 k = 0.2316 0.4012-0.0000 ( 5254 PWs) bands (ev): -49.8643 -49.8643 -26.5871 -26.5871 -25.9565 -25.9565 -25.9094 -25.9094 -9.2075 -9.2075 -9.0087 -9.0087 1.3084 1.3084 1.6962 1.6962 1.9278 1.9278 2.2561 2.2561 2.6167 2.6167 3.0469 3.0469 8.0831 8.0831 8.2043 8.2043 8.9861 8.9861 9.3964 9.3964 9.9968 9.9968 k = 0.2260 0.3914-0.0000 ( 5262 PWs) bands (ev): -49.8644 -49.8644 -26.5864 -26.5864 -25.9554 -25.9554 -25.9092 -25.9092 -9.2261 -9.2261 -9.0098 -9.0098 1.3352 1.3352 1.7068 1.7068 1.8923 1.8923 2.2887 2.2887 2.6427 2.6427 3.0825 3.0825 8.0689 8.0689 8.1858 8.1858 8.9885 8.9885 9.3849 9.3849 9.9974 9.9974 k = 0.2203 0.3816-0.0000 ( 5268 PWs) bands (ev): -49.8646 -49.8646 -26.5857 -26.5857 -25.9543 -25.9543 -25.9090 -25.9090 -9.2453 -9.2453 -9.0110 -9.0110 1.3639 1.3639 1.7179 1.7179 1.8584 1.8584 2.3204 2.3204 2.6706 2.6706 3.1181 3.1181 8.0559 8.0559 8.1678 8.1678 8.9880 8.9880 9.3736 9.3736 9.9946 9.9946 k = 0.2147 0.3719-0.0000 ( 5262 PWs) bands (ev): -49.8647 -49.8647 -26.5850 -26.5850 -25.9530 -25.9530 -25.9088 -25.9088 -9.2652 -9.2652 -9.0125 -9.0125 1.3934 1.3934 1.7285 1.7285 1.8283 1.8283 2.3509 2.3509 2.7004 2.7004 3.1537 3.1537 8.0440 8.0440 8.1503 8.1503 8.9846 8.9846 9.3630 9.3630 9.9883 9.9883 k = 0.2090 0.3621-0.0000 ( 5263 PWs) bands (ev): -49.8649 -49.8649 -26.5842 -26.5842 -25.9518 -25.9518 -25.9086 -25.9086 -9.2857 -9.2857 -9.0141 -9.0141 1.4216 1.4216 1.7365 1.7365 1.8060 1.8060 2.3803 2.3803 2.7320 2.7320 3.1891 3.1891 8.0333 8.0333 8.1334 8.1334 8.9780 8.9780 9.3532 9.3532 9.9786 9.9786 k = 0.2034 0.3523-0.0000 ( 5267 PWs) bands (ev): -49.8651 -49.8651 -26.5835 -26.5835 -25.9504 -25.9504 -25.9085 -25.9085 -9.3067 -9.3067 -9.0159 -9.0159 1.4453 1.4453 1.7391 1.7391 1.7982 1.7982 2.4084 2.4084 2.7653 2.7653 3.2244 3.2244 8.0237 8.0237 8.1170 8.1170 8.9681 8.9681 9.3446 9.3446 9.9655 9.9655 k = 0.1977 0.3425-0.0000 ( 5271 PWs) bands (ev): -49.8653 -49.8653 -26.5826 -26.5826 -25.9490 -25.9490 -25.9083 -25.9083 -9.3282 -9.3282 -9.0178 -9.0178 1.4598 1.4598 1.7407 1.7407 1.8049 1.8049 2.4350 2.4350 2.8002 2.8002 3.2594 3.2594 8.0152 8.0152 8.1014 8.1014 8.9549 8.9549 9.3371 9.3371 9.9493 9.9493 k = 0.1921 0.3327-0.0000 ( 5281 PWs) bands (ev): -49.8655 -49.8655 -26.5818 -26.5818 -25.9476 -25.9476 -25.9082 -25.9082 -9.3501 -9.3501 -9.0200 -9.0200 1.4606 1.4606 1.7524 1.7524 1.8196 1.8196 2.4603 2.4603 2.8365 2.8365 3.2940 3.2940 8.0079 8.0079 8.0864 8.0864 8.9384 8.9384 9.3311 9.3311 9.9300 9.9300 k = 0.1864 0.3229-0.0000 ( 5277 PWs) bands (ev): -49.8657 -49.8657 -26.5809 -26.5809 -25.9460 -25.9460 -25.9081 -25.9081 -9.3722 -9.3722 -9.0222 -9.0222 1.4472 1.4472 1.7784 1.7784 1.8387 1.8387 2.4841 2.4841 2.8742 2.8742 3.3282 3.3282 8.0016 8.0016 8.0721 8.0721 8.9186 8.9186 9.3265 9.3265 9.9079 9.9079 k = 0.1808 0.3131-0.0000 ( 5277 PWs) bands (ev): -49.8659 -49.8659 -26.5800 -26.5800 -25.9445 -25.9445 -25.9079 -25.9079 -9.3947 -9.3947 -9.0246 -9.0246 1.4230 1.4230 1.8154 1.8154 1.8621 1.8621 2.5064 2.5064 2.9131 2.9131 3.3619 3.3619 7.9964 7.9964 8.0586 8.0586 8.8959 8.8959 9.3233 9.3233 9.8833 9.8833 k = 0.1751 0.3034-0.0000 ( 5283 PWs) bands (ev): -49.8661 -49.8661 -26.5791 -26.5791 -25.9429 -25.9429 -25.9078 -25.9078 -9.4173 -9.4173 -9.0271 -9.0271 1.3918 1.3918 1.8554 1.8554 1.8937 1.8937 2.5273 2.5273 2.9531 2.9531 3.3950 3.3950 7.9922 7.9922 8.0459 8.0459 8.8704 8.8704 9.3214 9.3214 9.8565 9.8565 k = 0.1695 0.2936-0.0000 ( 5279 PWs) bands (ev): -49.8663 -49.8663 -26.5782 -26.5782 -25.9412 -25.9412 -25.9077 -25.9077 -9.4401 -9.4401 -9.0298 -9.0298 1.3566 1.3566 1.8888 1.8888 1.9405 1.9405 2.5467 2.5467 2.9939 2.9939 3.4274 3.4274 7.9889 7.9889 8.0341 8.0341 8.8425 8.8425 9.3205 9.3205 9.8277 9.8277 k = 0.1638 0.2838-0.0000 ( 5275 PWs) bands (ev): -49.8665 -49.8665 -26.5773 -26.5773 -25.9396 -25.9396 -25.9076 -25.9076 -9.4629 -9.4629 -9.0325 -9.0325 1.3190 1.3190 1.9172 1.9172 1.9989 1.9989 2.5647 2.5647 3.0355 3.0355 3.4591 3.4591 7.9863 7.9863 8.0232 8.0232 8.8126 8.8126 9.3207 9.3207 9.7974 9.7974 k = 0.1582 0.2740-0.0000 ( 5279 PWs) bands (ev): -49.8667 -49.8667 -26.5764 -26.5764 -25.9379 -25.9379 -25.9076 -25.9076 -9.4857 -9.4857 -9.0353 -9.0353 1.2802 1.2802 1.9447 1.9447 2.0635 2.0635 2.5813 2.5813 3.0777 3.0777 3.4901 3.4901 7.9843 7.9843 8.0133 8.0133 8.7809 8.7809 9.3217 9.3217 9.7660 9.7660 k = 0.1525 0.2642-0.0000 ( 5273 PWs) bands (ev): -49.8669 -49.8669 -26.5754 -26.5754 -25.9361 -25.9361 -25.9075 -25.9075 -9.5084 -9.5084 -9.0382 -9.0382 1.2408 1.2408 1.9727 1.9727 2.1324 2.1324 2.5966 2.5966 3.1202 3.1202 3.5201 3.5201 7.9825 7.9825 8.0049 8.0049 8.7477 8.7477 9.3234 9.3234 9.7337 9.7337 k = 0.1469 0.2544-0.0000 ( 5285 PWs) bands (ev): -49.8671 -49.8671 -26.5745 -26.5745 -25.9344 -25.9344 -25.9074 -25.9074 -9.5310 -9.5310 -9.0411 -9.0411 1.2012 1.2012 2.0015 2.0015 2.2043 2.2043 2.6107 2.6107 3.1630 3.1630 3.5492 3.5492 7.9800 7.9800 7.9986 7.9986 8.7134 8.7134 9.3256 9.3256 9.7010 9.7010 k = 0.1412 0.2446-0.0000 ( 5285 PWs) bands (ev): -49.8673 -49.8673 -26.5736 -26.5736 -25.9326 -25.9326 -25.9074 -25.9074 -9.5534 -9.5534 -9.0441 -9.0441 1.1619 1.1619 2.0311 2.0311 2.2788 2.2788 2.6236 2.6236 3.2059 3.2059 3.5773 3.5773 7.9761 7.9761 7.9952 7.9952 8.6782 8.6782 9.3283 9.3283 9.6682 9.6682 k = 0.1356 0.2349-0.0000 ( 5289 PWs) bands (ev): -49.8676 -49.8676 -26.5727 -26.5727 -25.9309 -25.9309 -25.9073 -25.9073 -9.5754 -9.5754 -9.0472 -9.0472 1.1231 1.1231 2.0617 2.0617 2.3552 2.3552 2.6356 2.6356 3.2485 3.2485 3.6043 3.6043 7.9710 7.9710 7.9943 7.9943 8.6424 8.6424 9.3313 9.3313 9.6357 9.6357 k = 0.1299 0.2251-0.0000 ( 5287 PWs) bands (ev): -49.8678 -49.8678 -26.5717 -26.5717 -25.9291 -25.9291 -25.9073 -25.9073 -9.5971 -9.5971 -9.0502 -9.0502 1.0849 1.0849 2.0931 2.0931 2.4327 2.4327 2.6471 2.6471 3.2909 3.2909 3.6301 3.6301 7.9655 7.9655 7.9950 7.9950 8.6062 8.6062 9.3345 9.3345 9.6039 9.6039 k = 0.1243 0.2153-0.0000 ( 5279 PWs) bands (ev): -49.8680 -49.8680 -26.5708 -26.5708 -25.9274 -25.9274 -25.9073 -25.9073 -9.6184 -9.6184 -9.0532 -9.0532 1.0475 1.0475 2.1252 2.1252 2.5100 2.5100 2.6593 2.6593 3.3327 3.3327 3.6548 3.6548 7.9603 7.9603 7.9966 7.9966 8.5698 8.5698 9.3379 9.3379 9.5730 9.5730 k = 0.1186 0.2055-0.0000 ( 5275 PWs) bands (ev): -49.8682 -49.8682 -26.5700 -26.5700 -25.9257 -25.9257 -25.9072 -25.9072 -9.6392 -9.6392 -9.0563 -9.0563 1.0111 1.0111 2.1580 2.1580 2.5827 2.5827 2.6761 2.6761 3.3739 3.3739 3.6782 3.6782 7.9555 7.9555 7.9988 7.9988 8.5335 8.5335 9.3413 9.3413 9.5435 9.5435 k = 0.1130 0.1957-0.0000 ( 5277 PWs) bands (ev): -49.8684 -49.8684 -26.5691 -26.5691 -25.9240 -25.9240 -25.9072 -25.9072 -9.6595 -9.6595 -9.0593 -9.0593 0.9757 0.9757 2.1913 2.1913 2.6344 2.6344 2.7137 2.7137 3.4141 3.4141 3.7003 3.7003 7.9513 7.9513 8.0012 8.0012 8.4973 8.4973 9.3448 9.3448 9.5155 9.5155 k = 0.1073 0.1859-0.0000 ( 5277 PWs) bands (ev): -49.8686 -49.8686 -26.5683 -26.5683 -25.9223 -25.9223 -25.9072 -25.9072 -9.6791 -9.6791 -9.0622 -9.0622 0.9415 0.9415 2.2251 2.2251 2.6559 2.6559 2.7811 2.7811 3.4533 3.4533 3.7210 3.7210 7.9478 7.9478 8.0039 8.0039 8.4616 8.4616 9.3482 9.3482 9.4894 9.4894 k = 0.1017 0.1761-0.0000 ( 5281 PWs) bands (ev): -49.8688 -49.8688 -26.5675 -26.5675 -25.9206 -25.9206 -25.9072 -25.9072 -9.6981 -9.6981 -9.0651 -9.0651 0.9086 0.9086 2.2591 2.2591 2.6660 2.6660 2.8593 2.8593 3.4912 3.4912 3.7404 3.7404 7.9449 7.9449 8.0065 8.0065 8.4264 8.4264 9.3515 9.3515 9.4653 9.4653 k = 0.0960 0.1664-0.0000 ( 5273 PWs) bands (ev): -49.8690 -49.8690 -26.5667 -26.5667 -25.9191 -25.9191 -25.9072 -25.9072 -9.7164 -9.7164 -9.0679 -9.0679 0.8770 0.8770 2.2932 2.2932 2.6724 2.6724 2.9400 2.9400 3.5277 3.5277 3.7584 3.7584 7.9426 7.9426 8.0091 8.0091 8.3919 8.3919 9.3546 9.3546 9.4435 9.4435 k = 0.0904 0.1566-0.0000 ( 5277 PWs) bands (ev): -49.8691 -49.8691 -26.5659 -26.5659 -25.9175 -25.9175 -25.9071 -25.9071 -9.7340 -9.7340 -9.0707 -9.0707 0.8469 0.8469 2.3272 2.3272 2.6772 2.6772 3.0209 3.0209 3.5626 3.5626 3.7750 3.7750 7.9409 7.9409 8.0115 8.0115 8.3583 8.3583 9.3574 9.3574 9.4241 9.4241 k = 0.0847 0.1468-0.0000 ( 5283 PWs) bands (ev): -49.8693 -49.8693 -26.5652 -26.5652 -25.9161 -25.9161 -25.9071 -25.9071 -9.7507 -9.7507 -9.0733 -9.0733 0.8183 0.8183 2.3610 2.3610 2.6810 2.6810 3.1011 3.1011 3.5959 3.5959 3.7903 3.7903 7.9398 7.9398 8.0135 8.0135 8.3259 8.3259 9.3600 9.3600 9.4073 9.4073 k = 0.0791 0.1370-0.0000 ( 5279 PWs) bands (ev): -49.8695 -49.8695 -26.5645 -26.5645 -25.9147 -25.9147 -25.9071 -25.9071 -9.7666 -9.7666 -9.0759 -9.0759 0.7912 0.7912 2.3943 2.3943 2.6840 2.6840 3.1799 3.1799 3.6273 3.6273 3.8042 3.8042 7.9393 7.9393 8.0151 8.0151 8.2948 8.2948 9.3621 9.3621 9.3930 9.3930 k = 0.0734 0.1272-0.0000 ( 5287 PWs) bands (ev): -49.8696 -49.8696 -26.5639 -26.5639 -25.9134 -25.9134 -25.9070 -25.9070 -9.7815 -9.7815 -9.0783 -9.0783 0.7657 0.7657 2.4269 2.4269 2.6865 2.6865 3.2566 3.2566 3.6568 3.6568 3.8168 3.8168 7.9393 7.9393 8.0160 8.0160 8.2653 8.2653 9.3636 9.3636 9.3815 9.3815 k = 0.0678 0.1174-0.0000 ( 5283 PWs) bands (ev): -49.8698 -49.8698 -26.5633 -26.5633 -25.9122 -25.9122 -25.9069 -25.9069 -9.7956 -9.7956 -9.0806 -9.0806 0.7420 0.7420 2.4584 2.4584 2.6886 2.6886 3.3305 3.3305 3.6844 3.6844 3.8282 3.8282 7.9398 7.9398 8.0161 8.0161 8.2376 8.2376 9.3637 9.3637 9.3734 9.3734 k = 0.0621 0.1076-0.0000 ( 5287 PWs) bands (ev): -49.8699 -49.8699 -26.5627 -26.5627 -25.9112 -25.9112 -25.9068 -25.9068 -9.8086 -9.8086 -9.0827 -9.0827 0.7199 0.7199 2.4888 2.4888 2.6905 2.6905 3.4010 3.4010 3.7100 3.7100 3.8385 3.8385 7.9407 7.9407 8.0151 8.0151 8.2122 8.2122 9.3608 9.3608 9.3703 9.3703 k = 0.0565 0.0979-0.0000 ( 5287 PWs) bands (ev): -49.8700 -49.8700 -26.5622 -26.5622 -25.9103 -25.9103 -25.9065 -25.9065 -9.8206 -9.8206 -9.0847 -9.0847 0.6996 0.6996 2.5175 2.5175 2.6922 2.6922 3.4673 3.4673 3.7338 3.7338 3.8478 3.8478 7.9419 7.9419 8.0128 8.0128 8.1895 8.1895 9.3569 9.3569 9.3700 9.3700 k = 0.0508 0.0881-0.0000 ( 5291 PWs) bands (ev): -49.8701 -49.8701 -26.5617 -26.5617 -25.9096 -25.9096 -25.9062 -25.9062 -9.8316 -9.8316 -9.0866 -9.0866 0.6812 0.6812 2.5443 2.5443 2.6939 2.6939 3.5285 3.5285 3.7560 3.7560 3.8562 3.8562 7.9434 7.9434 8.0089 8.0089 8.1697 8.1697 9.3540 9.3540 9.3702 9.3702 k = 0.0452 0.0783-0.0000 ( 5287 PWs) bands (ev): -49.8702 -49.8702 -26.5613 -26.5613 -25.9091 -25.9091 -25.9058 -25.9058 -9.8415 -9.8415 -9.0882 -9.0882 0.6646 0.6646 2.5688 2.5688 2.6959 2.6959 3.5836 3.5836 3.7769 3.7769 3.8638 3.8638 7.9451 7.9451 8.0035 8.0035 8.1532 8.1532 9.3526 9.3526 9.3702 9.3702 k = 0.0395 0.0685-0.0000 ( 5283 PWs) bands (ev): -49.8703 -49.8703 -26.5609 -26.5609 -25.9088 -25.9088 -25.9053 -25.9053 -9.8503 -9.8503 -9.0897 -9.0897 0.6498 0.6498 2.5906 2.5906 2.6982 2.6982 3.6315 3.6315 3.7970 3.7970 3.8708 3.8708 7.9469 7.9469 7.9965 7.9965 8.1400 8.1400 9.3523 9.3523 9.3701 9.3701 k = 0.0339 0.0587-0.0000 ( 5287 PWs) bands (ev): -49.8704 -49.8704 -26.5606 -26.5606 -25.9086 -25.9086 -25.9047 -25.9047 -9.8580 -9.8580 -9.0910 -9.0910 0.6370 0.6370 2.6092 2.6092 2.7011 2.7011 3.6712 3.6712 3.8171 3.8171 3.8772 3.8772 7.9486 7.9486 7.9885 7.9885 8.1300 8.1300 9.3529 9.3529 9.3699 9.3699 k = 0.0282 0.0489-0.0000 ( 5275 PWs) bands (ev): -49.8705 -49.8705 -26.5603 -26.5603 -25.9084 -25.9084 -25.9042 -25.9042 -9.8645 -9.8645 -9.0922 -9.0922 0.6261 0.6261 2.6243 2.6243 2.7046 2.7046 3.7020 3.7020 3.8373 3.8373 3.8828 3.8828 7.9503 7.9503 7.9802 7.9802 8.1226 8.1226 9.3540 9.3540 9.3698 9.3698 k = 0.0226 0.0391-0.0000 ( 5275 PWs) bands (ev): -49.8705 -49.8705 -26.5600 -26.5600 -25.9084 -25.9084 -25.9038 -25.9038 -9.8699 -9.8699 -9.0931 -9.0931 0.6172 0.6172 2.6358 2.6358 2.7087 2.7087 3.7243 3.7243 3.8570 3.8570 3.8877 3.8877 7.9518 7.9518 7.9721 7.9721 8.1174 8.1174 9.3551 9.3551 9.3698 9.3698 k = 0.0169 0.0294-0.0000 ( 5275 PWs) bands (ev): -49.8706 -49.8706 -26.5599 -26.5599 -25.9083 -25.9083 -25.9035 -25.9035 -9.8741 -9.8741 -9.0938 -9.0938 0.6102 0.6102 2.6439 2.6439 2.7130 2.7130 3.7395 3.7395 3.8745 3.8745 3.8918 3.8918 7.9529 7.9529 7.9652 7.9652 8.1138 8.1138 9.3560 9.3560 9.3700 9.3700 k = 0.0113 0.0196-0.0000 ( 5275 PWs) bands (ev): -49.8706 -49.8706 -26.5597 -26.5597 -25.9083 -25.9083 -25.9032 -25.9032 -9.8771 -9.8771 -9.0943 -9.0943 0.6052 0.6052 2.6491 2.6491 2.7168 2.7168 3.7491 3.7491 3.8880 3.8880 3.8952 3.8952 7.9537 7.9537 7.9600 7.9600 8.1116 8.1116 9.3566 9.3567 9.3704 9.3704 k = 0.0056 0.0098-0.0000 ( 5275 PWs) bands (ev): -49.8706 -49.8706 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.8789 -9.8789 -9.0946 -9.0946 0.6022 0.6022 2.6519 2.6519 2.7194 2.7194 3.7543 3.7543 3.8948 3.8948 3.8990 3.8990 7.9536 7.9536 7.9572 7.9572 8.1103 8.1103 9.3570 9.3570 9.3707 9.3707 k = 0.0000 0.0000 0.0000 ( 5275 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9082 -25.9082 -25.9030 -25.9030 -9.8795 -9.8795 -9.0947 -9.0947 0.6012 0.6012 2.6528 2.6528 2.7203 2.7203 3.7560 3.7560 3.8960 3.8960 3.9015 3.9015 7.9533 7.9533 7.9566 7.9566 8.1099 8.1099 9.3570 9.3570 9.3709 9.3709 k = 0.0000 0.0000 0.0000 ( 5275 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9082 -25.9082 -25.9030 -25.9030 -9.8795 -9.8795 -9.0947 -9.0947 0.6012 0.6012 2.6528 2.6528 2.7203 2.7203 3.7560 3.7560 3.8960 3.8960 3.9015 3.9015 7.9533 7.9533 7.9566 7.9566 8.1099 8.1099 9.3570 9.3570 9.3709 9.3709 k = 0.0000 0.0000 0.0112 ( 5275 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9082 -25.9082 -25.9030 -25.9030 -9.8790 -9.8790 -9.0954 -9.0954 0.6032 0.6032 2.6531 2.6531 2.7205 2.7205 3.7544 3.7544 3.8935 3.8935 3.9011 3.9011 7.9532 7.9532 7.9566 7.9566 8.1105 8.1105 9.3575 9.3575 9.3714 9.3714 k = 0.0000 0.0000 0.0224 ( 5287 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9082 -25.9082 -25.9030 -25.9030 -9.8776 -9.8776 -9.0972 -9.0972 0.6090 0.6090 2.6537 2.6537 2.7211 2.7211 3.7496 3.7496 3.8861 3.8861 3.9000 3.9000 7.9530 7.9530 7.9564 7.9564 8.1120 8.1120 9.3589 9.3589 9.3728 9.3728 k = 0.0000 0.0000 0.0337 ( 5287 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9082 -25.9082 -25.9030 -25.9030 -9.8752 -9.8752 -9.1004 -9.1004 0.6188 0.6188 2.6547 2.6547 2.7222 2.7222 3.7409 3.7409 3.8747 3.8747 3.8983 3.8983 7.9527 7.9527 7.9561 7.9561 8.1146 8.1146 9.3612 9.3612 9.3751 9.3751 k = 0.0000 0.0000 0.0449 ( 5287 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.8718 -9.8718 -9.1048 -9.1048 0.6325 0.6325 2.6561 2.6561 2.7236 2.7236 3.7270 3.7270 3.8606 3.8606 3.8958 3.8958 7.9523 7.9523 7.9557 7.9557 8.1181 8.1181 9.3643 9.3643 9.3783 9.3783 k = 0.0000 0.0000 0.0561 ( 5293 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.8675 -9.8675 -9.1103 -9.1103 0.6500 0.6500 2.6579 2.6579 2.7254 2.7254 3.7067 3.7067 3.8456 3.8456 3.8928 3.8928 7.9517 7.9517 7.9552 7.9552 8.1223 8.1223 9.3683 9.3683 9.3824 9.3824 k = 0.0000 0.0000 0.0673 ( 5293 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.8624 -9.8624 -9.1170 -9.1170 0.6712 0.6712 2.6601 2.6601 2.7276 2.7276 3.6787 3.6787 3.8312 3.8312 3.8891 3.8891 7.9510 7.9510 7.9546 7.9546 8.1271 8.1271 9.3731 9.3731 9.3873 9.3873 k = 0.0000 0.0000 0.0786 ( 5293 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.8563 -9.8563 -9.1249 -9.1249 0.6961 0.6961 2.6626 2.6626 2.7301 2.7301 3.6425 3.6425 3.8185 3.8185 3.8848 3.8848 7.9503 7.9503 7.9539 7.9539 8.1324 8.1324 9.3786 9.3786 9.3929 9.3929 k = 0.0000 0.0000 0.0898 ( 5293 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.8493 -9.8493 -9.1338 -9.1338 0.7247 0.7247 2.6655 2.6655 2.7329 2.7329 3.5987 3.5987 3.8073 3.8073 3.8801 3.8801 7.9494 7.9494 7.9532 7.9532 8.1381 8.1381 9.3847 9.3847 9.3991 9.3991 k = 0.0000 0.0000 0.1010 ( 5299 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.8416 -9.8416 -9.1437 -9.1437 0.7567 0.7567 2.6686 2.6686 2.7360 2.7360 3.5481 3.5481 3.7975 3.7975 3.8748 3.8748 7.9485 7.9485 7.9523 7.9523 8.1438 8.1438 9.3914 9.3914 9.4060 9.4060 k = 0.0000 0.0000 0.1122 ( 5269 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.8330 -9.8330 -9.1545 -9.1545 0.7921 0.7921 2.6719 2.6719 2.7393 2.7393 3.4917 3.4917 3.7885 3.7885 3.8693 3.8693 7.9475 7.9475 7.9514 7.9514 8.1497 8.1497 9.3986 9.3986 9.4133 9.4133 k = 0.0000 0.0000 0.1235 ( 5282 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.8237 -9.8237 -9.1662 -9.1662 0.8307 0.8307 2.6755 2.6755 2.7429 2.7429 3.4304 3.4304 3.7801 3.7801 3.8633 3.8633 7.9465 7.9465 7.9504 7.9504 8.1554 8.1554 9.4062 9.4062 9.4210 9.4210 k = 0.0000 0.0000 0.1347 ( 5282 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.8138 -9.8138 -9.1786 -9.1786 0.8724 0.8724 2.6792 2.6792 2.7466 2.7466 3.3650 3.3650 3.7720 3.7720 3.8572 3.8572 7.9454 7.9454 7.9494 7.9494 8.1610 8.1610 9.4141 9.4141 9.4290 9.4290 k = 0.0000 0.0000 0.1459 ( 5270 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.8032 -9.8032 -9.1917 -9.1917 0.9170 0.9170 2.6830 2.6830 2.7504 2.7504 3.2963 3.2963 3.7643 3.7643 3.8509 3.8509 7.9443 7.9443 7.9484 7.9484 8.1663 8.1663 9.4221 9.4221 9.4372 9.4372 k = 0.0000 0.0000 0.1571 ( 5282 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.7921 -9.7921 -9.2054 -9.2054 0.9642 0.9642 2.6869 2.6869 2.7543 2.7543 3.2249 3.2249 3.7568 3.7568 3.8445 3.8445 7.9432 7.9432 7.9473 7.9473 8.1714 8.1714 9.4302 9.4302 9.4455 9.4455 k = 0.0000 0.0000 0.1684 ( 5288 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.7805 -9.7805 -9.2194 -9.2194 1.0137 1.0137 2.6908 2.6908 2.7582 2.7582 3.1515 3.1515 3.7496 3.7496 3.8381 3.8381 7.9421 7.9421 7.9463 7.9463 8.1760 8.1760 9.4383 9.4383 9.4537 9.4537 k = 0.0000 0.0000 0.1796 ( 5300 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.7686 -9.7686 -9.2338 -9.2338 1.0654 1.0654 2.6946 2.6946 2.7621 2.7621 3.0769 3.0769 3.7426 3.7426 3.8318 3.8318 7.9410 7.9410 7.9452 7.9452 8.1803 8.1803 9.4462 9.4462 9.4618 9.4618 k = 0.0000 0.0000 0.1908 ( 5312 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.7565 -9.7565 -9.2483 -9.2483 1.1187 1.1187 2.6983 2.6983 2.7658 2.7658 3.0017 3.0017 3.7359 3.7359 3.8257 3.8257 7.9400 7.9400 7.9442 7.9442 8.1841 8.1841 9.4539 9.4539 9.4696 9.4696 k = 0.0000 0.0000 0.2020 ( 5306 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.7443 -9.7443 -9.2627 -9.2627 1.1732 1.1732 2.7019 2.7019 2.7695 2.7695 2.9267 2.9267 3.7297 3.7297 3.8198 3.8198 7.9390 7.9390 7.9433 7.9433 8.1876 8.1876 9.4612 9.4612 9.4771 9.4771 k = 0.0000 0.0000 0.2133 ( 5300 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.7322 -9.7322 -9.2769 -9.2769 1.2283 1.2283 2.7051 2.7051 2.7729 2.7729 2.8527 2.8527 3.7238 3.7238 3.8143 3.8143 7.9381 7.9381 7.9424 7.9424 8.1907 8.1907 9.4680 9.4680 9.4841 9.4841 k = 0.0000 0.0000 0.2245 ( 5294 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.7205 -9.7205 -9.2906 -9.2906 1.2832 1.2832 2.7075 2.7075 2.7760 2.7760 2.7813 2.7813 3.7185 3.7185 3.8093 3.8093 7.9372 7.9372 7.9416 7.9416 8.1933 8.1933 9.4743 9.4743 9.4905 9.4905 k = 0.0000 0.0000 0.2357 ( 5300 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.7092 -9.7092 -9.3036 -9.3036 1.3369 1.3369 2.7010 2.7010 2.7216 2.7216 2.7789 2.7789 3.7137 3.7137 3.8047 3.8047 7.9365 7.9365 7.9408 7.9408 8.1956 8.1956 9.4800 9.4800 9.4962 9.4962 k = 0.0000 0.0000 0.2469 ( 5300 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.6989 -9.6989 -9.3154 -9.3154 1.3882 1.3882 2.6447 2.6447 2.7159 2.7159 2.7814 2.7814 3.7096 3.7096 3.8007 3.8007 7.9358 7.9358 7.9402 7.9402 8.1975 8.1975 9.4849 9.4849 9.5012 9.5012 k = 0.0000 0.0000 0.2582 ( 5300 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.6897 -9.6897 -9.3259 -9.3259 1.4353 1.4353 2.5874 2.5874 2.7173 2.7173 2.7835 2.7835 3.7061 3.7061 3.7974 3.7974 7.9352 7.9352 7.9397 7.9397 8.1990 8.1990 9.4890 9.4890 9.5054 9.5055 k = 0.0000 0.0000 0.2694 ( 5312 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.6820 -9.6820 -9.3345 -9.3345 1.4760 1.4760 2.5382 2.5382 2.7188 2.7188 2.7852 2.7852 3.7034 3.7034 3.7947 3.7947 7.9348 7.9348 7.9392 7.9392 8.2002 8.2002 9.4923 9.4923 9.5088 9.5088 k = 0.0000 0.0000 0.2806 ( 5306 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.6762 -9.6762 -9.3410 -9.3410 1.5080 1.5080 2.5001 2.5001 2.7199 2.7199 2.7864 2.7864 3.7014 3.7014 3.7928 3.7928 7.9345 7.9345 7.9389 7.9389 8.2010 8.2010 9.4947 9.4947 9.5112 9.5112 k = 0.0000 0.0000 0.2918 ( 5306 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.6726 -9.6726 -9.3451 -9.3451 1.5286 1.5286 2.4758 2.4758 2.7206 2.7206 2.7872 2.7872 3.7001 3.7001 3.7916 3.7916 7.9343 7.9343 7.9387 7.9387 8.2015 8.2015 9.4961 9.4961 9.5127 9.5127 k = 0.0000 0.0000 0.3031 ( 5288 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.6714 -9.6714 -9.3465 -9.3465 1.5357 1.5357 2.4674 2.4674 2.7208 2.7208 2.7874 2.7874 3.6997 3.6997 3.7912 3.7912 7.9342 7.9342 7.9387 7.9387 8.2017 8.2017 9.4966 9.4966 9.5132 9.5132 k = 0.0000 0.0000 0.3031 ( 5288 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.6714 -9.6714 -9.3465 -9.3465 1.5357 1.5357 2.4674 2.4674 2.7208 2.7208 2.7874 2.7874 3.6997 3.6997 3.7912 3.7912 7.9342 7.9342 7.9387 7.9387 8.2017 8.2017 9.4966 9.4966 9.5132 9.5132 k = 0.0098 0.0057 0.3031 ( 5290 PWs) bands (ev): -49.8706 -49.8706 -26.5597 -26.5597 -25.9083 -25.9083 -25.9030 -25.9030 -9.6708 -9.6708 -9.3463 -9.3463 1.5362 1.5362 2.4604 2.4604 2.7241 2.7241 2.7902 2.7902 3.6977 3.6977 3.7891 3.7891 7.9346 7.9346 7.9393 7.9393 8.2025 8.2025 9.4954 9.4954 9.5120 9.5120 k = 0.0196 0.0113 0.3031 ( 5286 PWs) bands (ev): -49.8706 -49.8706 -26.5598 -26.5598 -25.9083 -25.9083 -25.9032 -25.9032 -9.6692 -9.6692 -9.3456 -9.3456 1.5375 1.5375 2.4411 2.4411 2.7315 2.7315 2.7991 2.7991 3.6913 3.6913 3.7829 3.7829 7.9349 7.9349 7.9422 7.9422 8.2051 8.2051 9.4912 9.4912 9.5094 9.5094 k = 0.0294 0.0170 0.3031 ( 5274 PWs) bands (ev): -49.8706 -49.8706 -26.5599 -26.5599 -25.9084 -25.9084 -25.9035 -25.9035 -9.6665 -9.6665 -9.3446 -9.3446 1.5398 1.5398 2.4128 2.4128 2.7387 2.7387 2.8153 2.8153 3.6803 3.6803 3.7733 3.7733 7.9341 7.9341 7.9480 7.9480 8.2094 8.2094 9.4829 9.4829 9.5067 9.5067 k = 0.0392 0.0226 0.3031 ( 5274 PWs) bands (ev): -49.8705 -49.8705 -26.5601 -26.5601 -25.9084 -25.9084 -25.9038 -25.9038 -9.6627 -9.6627 -9.3431 -9.3431 1.5429 1.5429 2.3785 2.3785 2.7436 2.7436 2.8377 2.8377 3.6641 3.6641 3.7609 3.7609 7.9323 7.9323 7.9564 7.9564 8.2156 8.2156 9.4702 9.4702 9.5045 9.5045 k = 0.0490 0.0283 0.3031 ( 5288 PWs) bands (ev): -49.8705 -49.8705 -26.5603 -26.5603 -25.9085 -25.9085 -25.9042 -25.9042 -9.6578 -9.6578 -9.3412 -9.3412 1.5468 1.5468 2.3404 2.3404 2.7464 2.7464 2.8640 2.8640 3.6420 3.6420 3.7468 3.7468 7.9294 7.9294 7.9672 7.9672 8.2238 8.2238 9.4539 9.4539 9.5026 9.5026 k = 0.0588 0.0340 0.3031 ( 5296 PWs) bands (ev): -49.8704 -49.8704 -26.5606 -26.5606 -25.9086 -25.9086 -25.9047 -25.9047 -9.6519 -9.6519 -9.3389 -9.3389 1.5514 1.5514 2.2997 2.2997 2.7480 2.7480 2.8921 2.8921 3.6139 3.6139 3.7315 3.7315 7.9252 7.9252 7.9803 7.9803 8.2341 8.2341 9.4348 9.4348 9.5008 9.5008 k = 0.0686 0.0396 0.3031 ( 5300 PWs) bands (ev): -49.8703 -49.8703 -26.5609 -26.5609 -25.9088 -25.9088 -25.9053 -25.9053 -9.6449 -9.6449 -9.3361 -9.3361 1.5567 1.5567 2.2574 2.2574 2.7488 2.7488 2.9205 2.9205 3.5799 3.5799 3.7156 3.7156 7.9196 7.9196 7.9955 7.9955 8.2464 8.2464 9.4137 9.4137 9.4990 9.4990 k = 0.0784 0.0453 0.3031 ( 5286 PWs) bands (ev): -49.8702 -49.8702 -26.5613 -26.5613 -25.9092 -25.9092 -25.9058 -25.9058 -9.6369 -9.6369 -9.3330 -9.3330 1.5626 1.5626 2.2139 2.2139 2.7491 2.7491 2.9484 2.9484 3.5405 3.5405 3.6990 3.6990 7.9124 7.9124 8.0128 8.0128 8.2607 8.2607 9.3914 9.3914 9.4972 9.4972 k = 0.0882 0.0509 0.3031 ( 5282 PWs) bands (ev): -49.8701 -49.8701 -26.5617 -26.5617 -25.9097 -25.9097 -25.9062 -25.9062 -9.6280 -9.6280 -9.3295 -9.3295 1.5689 1.5689 2.1698 2.1698 2.7490 2.7490 2.9752 2.9752 3.4964 3.4964 3.6817 3.6817 7.9035 7.9035 8.0320 8.0320 8.2768 8.2768 9.3686 9.3686 9.4954 9.4954 k = 0.0980 0.0566 0.3031 ( 5284 PWs) bands (ev): -49.8700 -49.8700 -26.5622 -26.5622 -25.9104 -25.9104 -25.9065 -25.9065 -9.6181 -9.6181 -9.3256 -9.3256 1.5755 1.5755 2.1252 2.1252 2.7486 2.7486 3.0004 3.0004 3.4484 3.4484 3.6637 3.6637 7.8931 7.8931 8.0529 8.0529 8.2946 8.2946 9.3458 9.3458 9.4937 9.4937 k = 0.1078 0.0623 0.3031 ( 5284 PWs) bands (ev): -49.8699 -49.8699 -26.5627 -26.5627 -25.9113 -25.9113 -25.9067 -25.9067 -9.6073 -9.6073 -9.3213 -9.3213 1.5822 1.5822 2.0805 2.0805 2.7480 2.7480 3.0237 3.0237 3.3973 3.3973 3.6450 3.6450 7.8810 7.8810 8.0755 8.0755 8.3137 8.3137 9.3237 9.3237 9.4920 9.4920 k = 0.1176 0.0679 0.3031 ( 5276 PWs) bands (ev): -49.8698 -49.8698 -26.5633 -26.5633 -25.9123 -25.9123 -25.9069 -25.9069 -9.5955 -9.5955 -9.3167 -9.3167 1.5889 1.5889 2.0357 2.0357 2.7471 2.7471 3.0444 3.0444 3.3441 3.3441 3.6255 3.6255 7.8675 7.8675 8.0995 8.0995 8.3339 8.3339 9.3028 9.3028 9.4905 9.4905 k = 0.1275 0.0736 0.3031 ( 5268 PWs) bands (ev): -49.8696 -49.8696 -26.5639 -26.5639 -25.9135 -25.9135 -25.9069 -25.9069 -9.5830 -9.5830 -9.3118 -9.3118 1.5953 1.5953 1.9912 1.9912 2.7460 2.7460 3.0620 3.0620 3.2901 3.2901 3.6054 3.6054 7.8525 7.8525 8.1249 8.1249 8.3549 8.3549 9.2838 9.2838 9.4891 9.4891 k = 0.1373 0.0792 0.3031 ( 5264 PWs) bands (ev): -49.8695 -49.8695 -26.5646 -26.5646 -25.9149 -25.9149 -25.9070 -25.9070 -9.5696 -9.5696 -9.3065 -9.3065 1.6011 1.6011 1.9469 1.9469 2.7445 2.7445 3.0747 3.0747 3.2376 3.2376 3.5847 3.5847 7.8362 7.8362 8.1514 8.1514 8.3765 8.3765 9.2671 9.2671 9.4880 9.4880 k = 0.1471 0.0849 0.3031 ( 5268 PWs) bands (ev): -49.8693 -49.8693 -26.5652 -26.5652 -25.9163 -25.9163 -25.9070 -25.9070 -9.5555 -9.5555 -9.3008 -9.3008 1.6061 1.6061 1.9031 1.9031 2.7428 2.7428 3.0778 3.0778 3.1918 3.1918 3.5635 3.5635 7.8187 7.8187 8.1789 8.1789 8.3985 8.3985 9.2530 9.2530 9.4872 9.4872 k = 0.1569 0.0906 0.3031 ( 5264 PWs) bands (ev): -49.8691 -49.8691 -26.5660 -26.5660 -25.9178 -25.9178 -25.9070 -25.9070 -9.5406 -9.5406 -9.2949 -9.2949 1.6099 1.6099 1.8598 1.8598 2.7408 2.7408 3.0607 3.0607 3.1641 3.1641 3.5420 3.5420 7.8002 7.8002 8.2072 8.2072 8.4205 8.4205 9.2421 9.2421 9.4868 9.4868 k = 0.1667 0.0962 0.3031 ( 5252 PWs) bands (ev): -49.8689 -49.8689 -26.5667 -26.5667 -25.9193 -25.9193 -25.9070 -25.9070 -9.5252 -9.5252 -9.2887 -9.2887 1.6122 1.6122 1.8171 1.8171 2.7384 2.7384 3.0213 3.0213 3.1571 3.1571 3.5202 3.5202 7.7806 7.7806 8.2363 8.2363 8.4424 8.4424 9.2345 9.2345 9.4867 9.4867 k = 0.1765 0.1019 0.3031 ( 5252 PWs) bands (ev): -49.8688 -49.8688 -26.5675 -26.5675 -25.9210 -25.9210 -25.9069 -25.9069 -9.5091 -9.5091 -9.2822 -9.2822 1.6125 1.6125 1.7750 1.7750 2.7355 2.7355 2.9725 2.9725 3.1589 3.1589 3.4984 3.4984 7.7603 7.7603 8.2658 8.2658 8.4641 8.4641 9.2306 9.2306 9.4871 9.4871 k = 0.1863 0.1075 0.3031 ( 5244 PWs) bands (ev): -49.8686 -49.8686 -26.5683 -26.5683 -25.9227 -25.9227 -25.9069 -25.9069 -9.4925 -9.4925 -9.2754 -9.2754 1.6105 1.6105 1.7337 1.7337 2.7322 2.7322 2.9221 2.9221 3.1623 3.1623 3.4765 3.4765 7.7391 7.7391 8.2957 8.2957 8.4854 8.4854 9.2306 9.2306 9.4879 9.4879 k = 0.1961 0.1132 0.3031 ( 5242 PWs) bands (ev): -49.8684 -49.8684 -26.5692 -26.5692 -25.9244 -25.9244 -25.9068 -25.9068 -9.4754 -9.4754 -9.2684 -9.2684 1.6056 1.6056 1.6932 1.6932 2.7282 2.7282 2.8733 2.8733 3.1651 3.1651 3.4548 3.4548 7.7173 7.7173 8.3259 8.3259 8.5063 8.5063 9.2345 9.2345 9.4893 9.4893 k = 0.2059 0.1189 0.3031 ( 5240 PWs) bands (ev): -49.8682 -49.8682 -26.5700 -26.5700 -25.9262 -25.9262 -25.9068 -25.9068 -9.4580 -9.4580 -9.2611 -9.2611 1.5973 1.5973 1.6537 1.6537 2.7233 2.7233 2.8278 2.8278 3.1665 3.1665 3.4334 3.4334 7.6951 7.6951 8.3561 8.3561 8.5267 8.5267 9.2425 9.2425 9.4911 9.4911 k = 0.2157 0.1245 0.3031 ( 5244 PWs) bands (ev): -49.8680 -49.8680 -26.5709 -26.5709 -25.9280 -25.9280 -25.9067 -25.9067 -9.4402 -9.4402 -9.2536 -9.2536 1.5848 1.5848 1.6157 1.6157 2.7167 2.7167 2.7873 2.7873 3.1664 3.1664 3.4124 3.4124 7.6724 7.6724 8.3863 8.3863 8.5466 8.5466 9.2545 9.2545 9.4935 9.4935 k = 0.2255 0.1302 0.3031 ( 5250 PWs) bands (ev): -49.8678 -49.8678 -26.5718 -26.5718 -25.9298 -25.9298 -25.9066 -25.9066 -9.4223 -9.4223 -9.2458 -9.2458 1.5644 1.5644 1.5827 1.5827 2.7064 2.7064 2.7545 2.7545 3.1645 3.1645 3.3918 3.3918 7.6494 7.6494 8.4164 8.4164 8.5662 8.5662 9.2704 9.2704 9.4965 9.4965 k = 0.2353 0.1358 0.3031 ( 5246 PWs) bands (ev): -49.8676 -49.8676 -26.5727 -26.5727 -25.9316 -25.9316 -25.9066 -25.9066 -9.4041 -9.4041 -9.2379 -9.2379 1.5317 1.5317 1.5588 1.5588 2.6893 2.6893 2.7328 2.7328 3.1611 3.1611 3.3719 3.3719 7.6262 7.6262 8.4462 8.4462 8.5855 8.5855 9.2901 9.2901 9.4999 9.4999 k = 0.2451 0.1415 0.3031 ( 5250 PWs) bands (ev): -49.8673 -49.8673 -26.5736 -26.5736 -25.9335 -25.9335 -25.9065 -25.9065 -9.3860 -9.3860 -9.2296 -9.2296 1.4947 1.4947 1.5361 1.5361 2.6672 2.6672 2.7205 2.7205 3.1562 3.1562 3.3526 3.3526 7.6030 7.6030 8.4756 8.4756 8.6046 8.6046 9.3134 9.3134 9.5039 9.5039 k = 0.2549 0.1472 0.3031 ( 5258 PWs) bands (ev): -49.8671 -49.8671 -26.5746 -26.5746 -25.9353 -25.9353 -25.9064 -25.9064 -9.3679 -9.3679 -9.2211 -9.2211 1.4566 1.4566 1.5116 1.5116 2.6458 2.6458 2.7120 2.7120 3.1499 3.1499 3.3341 3.3341 7.5798 7.5798 8.5045 8.5045 8.6237 8.6237 9.3399 9.3399 9.5085 9.5085 k = 0.2647 0.1528 0.3031 ( 5256 PWs) bands (ev): -49.8669 -49.8669 -26.5755 -26.5755 -25.9371 -25.9371 -25.9063 -25.9063 -9.3501 -9.3501 -9.2124 -9.2124 1.4177 1.4177 1.4854 1.4854 2.6275 2.6275 2.7047 2.7047 3.1426 3.1426 3.3163 3.3163 7.5568 7.5568 8.5328 8.5328 8.6428 8.6428 9.3695 9.3695 9.5135 9.5135 k = 0.2745 0.1585 0.3031 ( 5256 PWs) bands (ev): -49.8667 -49.8667 -26.5764 -26.5764 -25.9389 -25.9389 -25.9063 -25.9063 -9.3325 -9.3325 -9.2033 -9.2033 1.3778 1.3778 1.4582 1.4582 2.6126 2.6126 2.6978 2.6978 3.1344 3.1344 3.2995 3.2995 7.5340 7.5340 8.5605 8.5605 8.6620 8.6620 9.4019 9.4019 9.5189 9.5189 k = 0.2843 0.1641 0.3031 ( 5260 PWs) bands (ev): -49.8665 -49.8665 -26.5774 -26.5774 -25.9407 -25.9407 -25.9062 -25.9062 -9.3154 -9.3154 -9.1939 -9.1939 1.3365 1.3365 1.4307 1.4307 2.6010 2.6010 2.6909 2.6909 3.1257 3.1257 3.2835 3.2835 7.5116 7.5116 8.5875 8.5875 8.6815 8.6815 9.4368 9.4368 9.5248 9.5248 k = 0.2941 0.1698 0.3031 ( 5266 PWs) bands (ev): -49.8663 -49.8663 -26.5783 -26.5783 -25.9425 -25.9425 -25.9061 -25.9061 -9.2989 -9.2989 -9.1842 -9.1842 1.2940 1.2940 1.4038 1.4038 2.5921 2.5921 2.6840 2.6840 3.1166 3.1166 3.2685 3.2685 7.4896 7.4896 8.6137 8.6137 8.7013 8.7013 9.4737 9.4737 9.5310 9.5310 k = 0.3039 0.1755 0.3031 ( 5266 PWs) bands (ev): -49.8661 -49.8661 -26.5792 -26.5792 -25.9442 -25.9442 -25.9060 -25.9060 -9.2831 -9.2831 -9.1741 -9.1741 1.2503 1.2503 1.3778 1.3778 2.5854 2.5854 2.6771 2.6771 3.1075 3.1075 3.2544 3.2544 7.4681 7.4681 8.6390 8.6390 8.7214 8.7214 9.5125 9.5125 9.5377 9.5377 k = 0.3137 0.1811 0.3031 ( 5258 PWs) bands (ev): -49.8659 -49.8659 -26.5801 -26.5801 -25.9459 -25.9459 -25.9059 -25.9059 -9.2681 -9.2681 -9.1635 -9.1635 1.2057 1.2057 1.3531 1.3531 2.5803 2.5803 2.6701 2.6701 3.0986 3.0986 3.2412 3.2412 7.4472 7.4472 8.6634 8.6634 8.7419 8.7419 9.5438 9.5438 9.5536 9.5536 k = 0.3235 0.1868 0.3031 ( 5262 PWs) bands (ev): -49.8657 -49.8657 -26.5810 -26.5810 -25.9476 -25.9476 -25.9058 -25.9058 -9.2541 -9.2541 -9.1526 -9.1526 1.1606 1.1606 1.3299 1.3299 2.5762 2.5762 2.6632 2.6632 3.0902 3.0902 3.2290 3.2290 7.4269 7.4269 8.6869 8.6869 8.7627 8.7627 9.5512 9.5512 9.5948 9.5948 k = 0.3333 0.1925 0.3031 ( 5254 PWs) bands (ev): -49.8655 -49.8655 -26.5818 -26.5818 -25.9491 -25.9491 -25.9058 -25.9058 -9.2412 -9.2412 -9.1412 -9.1412 1.1155 1.1155 1.3082 1.3082 2.5725 2.5725 2.6564 2.6564 3.0826 3.0826 3.2179 3.2179 7.4074 7.4074 8.7094 8.7094 8.7838 8.7838 9.5583 9.5583 9.6373 9.6373 k = 0.3431 0.1981 0.3031 ( 5246 PWs) bands (ev): -49.8654 -49.8654 -26.5827 -26.5827 -25.9507 -25.9507 -25.9057 -25.9057 -9.2293 -9.2293 -9.1295 -9.1295 1.0708 1.0708 1.2881 1.2881 2.5688 2.5688 2.6497 2.6497 3.0759 3.0759 3.2076 3.2076 7.3886 7.3886 8.7309 8.7309 8.8052 8.8052 9.5655 9.5655 9.6804 9.6804 k = 0.3529 0.2038 0.3031 ( 5254 PWs) bands (ev): -49.8652 -49.8652 -26.5835 -26.5835 -25.9521 -25.9521 -25.9056 -25.9056 -9.2184 -9.2184 -9.1176 -9.1176 1.0270 1.0270 1.2695 1.2695 2.5649 2.5649 2.6431 2.6431 3.0703 3.0703 3.1984 3.1984 7.3707 7.3707 8.7513 8.7513 8.8266 8.8266 9.5727 9.5727 9.7238 9.7238 k = 0.3627 0.2094 0.3031 ( 5258 PWs) bands (ev): -49.8650 -49.8650 -26.5842 -26.5842 -25.9535 -25.9535 -25.9055 -25.9055 -9.2086 -9.2086 -9.1056 -9.1056 0.9845 0.9845 1.2524 1.2524 2.5605 2.5605 2.6365 2.6365 3.0658 3.0658 3.1901 3.1901 7.3536 7.3536 8.7706 8.7706 8.8481 8.8481 9.5798 9.5798 9.7671 9.7671 k = 0.3725 0.2151 0.3031 ( 5252 PWs) bands (ev): -49.8649 -49.8649 -26.5850 -26.5850 -25.9548 -25.9548 -25.9055 -25.9055 -9.1998 -9.1998 -9.0937 -9.0937 0.9436 0.9436 1.2367 1.2367 2.5557 2.5557 2.6301 2.6301 3.0626 3.0626 3.1829 3.1829 7.3375 7.3375 8.7888 8.7888 8.8694 8.8694 9.5868 9.5868 9.8099 9.8099 k = 0.3824 0.2208 0.3031 ( 5246 PWs) bands (ev): -49.8647 -49.8647 -26.5857 -26.5857 -25.9561 -25.9561 -25.9054 -25.9054 -9.1918 -9.1918 -9.0820 -9.0820 0.9046 0.9046 1.2225 1.2225 2.5503 2.5503 2.6237 2.6237 3.0604 3.0604 3.1765 3.1765 7.3224 7.3224 8.8057 8.8057 8.8905 8.8905 9.5936 9.5936 9.8520 9.8520 k = 0.3922 0.2264 0.3031 ( 5242 PWs) bands (ev): -49.8646 -49.8646 -26.5863 -26.5863 -25.9572 -25.9572 -25.9053 -25.9053 -9.1847 -9.1847 -9.0707 -9.0707 0.8678 0.8678 1.2097 1.2097 2.5447 2.5447 2.6173 2.6173 3.0592 3.0592 3.1711 3.1711 7.3083 7.3083 8.8215 8.8215 8.9111 8.9111 9.6001 9.6001 9.8928 9.8928 k = 0.4020 0.2321 0.3031 ( 5246 PWs) bands (ev): -49.8645 -49.8645 -26.5869 -26.5869 -25.9583 -25.9583 -25.9053 -25.9053 -9.1783 -9.1783 -9.0600 -9.0600 0.8335 0.8335 1.1982 1.1982 2.5387 2.5387 2.6111 2.6111 3.0588 3.0588 3.1666 3.1666 7.2953 7.2953 8.8360 8.8360 8.9310 8.9310 9.6062 9.6062 9.9321 9.9321 k = 0.4118 0.2377 0.3031 ( 5242 PWs) bands (ev): -49.8643 -49.8643 -26.5874 -26.5874 -25.9593 -25.9593 -25.9052 -25.9052 -9.1727 -9.1727 -9.0499 -9.0499 0.8018 0.8018 1.1879 1.1879 2.5327 2.5327 2.6050 2.6050 3.0590 3.0590 3.1629 3.1629 7.2834 7.2834 8.8492 8.8492 8.9501 8.9501 9.6120 9.6120 9.9695 9.9695 k = 0.4216 0.2434 0.3031 ( 5238 PWs) bands (ev): -49.8642 -49.8642 -26.5880 -26.5880 -25.9602 -25.9602 -25.9051 -25.9051 -9.1677 -9.1677 -9.0406 -9.0406 0.7731 0.7731 1.1789 1.1789 2.5268 2.5268 2.5992 2.5992 3.0597 3.0597 3.1601 3.1601 7.2727 7.2727 8.8610 8.8610 8.9680 8.9680 9.6173 9.6173 10.0045 10.0045 k = 0.4314 0.2491 0.3031 ( 5242 PWs) bands (ev): -49.8641 -49.8641 -26.5884 -26.5884 -25.9610 -25.9610 -25.9051 -25.9051 -9.1633 -9.1633 -9.0322 -9.0322 0.7473 0.7473 1.1711 1.1711 2.5212 2.5212 2.5937 2.5937 3.0605 3.0605 3.1580 3.1580 7.2631 7.2631 8.8716 8.8716 8.9845 8.9845 9.6221 9.6221 10.0367 10.0367 k = 0.4412 0.2547 0.3031 ( 5244 PWs) bands (ev): -49.8641 -49.8641 -26.5888 -26.5888 -25.9616 -25.9616 -25.9051 -25.9051 -9.1596 -9.1596 -9.0247 -9.0247 0.7247 0.7247 1.1645 1.1645 2.5159 2.5159 2.5888 2.5888 3.0615 3.0615 3.1566 3.1566 7.2547 7.2547 8.8807 8.8807 8.9995 8.9995 9.6264 9.6264 10.0657 10.0657 k = 0.4510 0.2604 0.3031 ( 5248 PWs) bands (ev): -49.8640 -49.8640 -26.5891 -26.5891 -25.9622 -25.9622 -25.9050 -25.9050 -9.1564 -9.1564 -9.0183 -9.0183 0.7054 0.7054 1.1589 1.1589 2.5111 2.5111 2.5844 2.5844 3.0624 3.0624 3.1557 3.1557 7.2476 7.2476 8.8885 8.8885 9.0126 9.0126 9.6301 9.6301 10.0912 10.0912 k = 0.4608 0.2660 0.3031 ( 5248 PWs) bands (ev): -49.8639 -49.8639 -26.5894 -26.5894 -25.9627 -25.9627 -25.9050 -25.9050 -9.1539 -9.1539 -9.0129 -9.0129 0.6895 0.6895 1.1544 1.1544 2.5071 2.5071 2.5807 2.5807 3.0632 3.0632 3.1552 3.1552 7.2417 7.2417 8.8949 8.8949 9.0237 9.0237 9.6332 9.6332 10.1126 10.1126 k = 0.4706 0.2717 0.3031 ( 5260 PWs) bands (ev): -49.8639 -49.8639 -26.5896 -26.5896 -25.9631 -25.9631 -25.9050 -25.9050 -9.1519 -9.1519 -9.0087 -9.0087 0.6770 0.6770 1.1509 1.1509 2.5038 2.5038 2.5777 2.5777 3.0638 3.0638 3.1549 3.1549 7.2371 7.2371 8.8999 8.8999 9.0325 9.0325 9.6356 9.6356 10.1297 10.1297 k = 0.4804 0.2774 0.3031 ( 5264 PWs) bands (ev): -49.8639 -49.8639 -26.5898 -26.5898 -25.9634 -25.9634 -25.9050 -25.9050 -9.1505 -9.1505 -9.0057 -9.0057 0.6680 0.6680 1.1484 1.1484 2.5014 2.5014 2.5756 2.5756 3.0642 3.0642 3.1548 3.1548 7.2338 7.2338 8.9035 8.9035 9.0390 9.0390 9.6374 9.6374 10.1421 10.1421 k = 0.4902 0.2830 0.3031 ( 5268 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9635 -25.9635 -25.9049 -25.9049 -9.1496 -9.1496 -9.0039 -9.0039 0.6627 0.6627 1.1470 1.1470 2.4999 2.4999 2.5743 2.5743 3.0645 3.0645 3.1548 3.1548 7.2319 7.2319 8.9056 8.9056 9.0429 9.0429 9.6384 9.6384 10.1497 10.1497 k = 0.5000 0.2887 0.3031 ( 5260 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1493 -9.1493 -9.0033 -9.0033 0.6609 0.6609 1.1465 1.1465 2.4994 2.4994 2.5739 2.5739 3.0646 3.0646 3.1548 3.1548 7.2312 7.2312 8.9063 8.9063 9.0442 9.0442 9.6388 9.6388 10.1522 10.1522 k = 0.5000 0.2887 0.3031 ( 5260 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1493 -9.1493 -9.0033 -9.0033 0.6609 0.6609 1.1465 1.1465 2.4994 2.4994 2.5739 2.5739 3.0646 3.0646 3.1548 3.1548 7.2312 7.2312 8.9063 8.9063 9.0442 9.0442 9.6388 9.6388 10.1522 10.1522 k = 0.4944 0.2983 0.3031 ( 5272 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9050 -25.9050 -9.1491 -9.1491 -9.0033 -9.0033 0.6619 0.6619 1.1469 1.1469 2.4990 2.4990 2.5731 2.5731 3.0631 3.0631 3.1529 3.1529 7.2335 7.2335 8.9057 8.9057 9.0434 9.0434 9.6384 9.6384 10.1524 10.1524 k = 0.4889 0.3079 0.3031 ( 5264 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9050 -25.9050 -9.1483 -9.1483 -9.0033 -9.0033 0.6650 0.6650 1.1482 1.1482 2.4978 2.4978 2.5710 2.5710 3.0585 3.0585 3.1474 3.1474 7.2405 7.2405 8.9037 8.9037 9.0411 9.0411 9.6373 9.6373 10.1531 10.1531 k = 0.4833 0.3175 0.3031 ( 5256 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9051 -25.9051 -9.1471 -9.1471 -9.0032 -9.0032 0.6701 0.6701 1.1504 1.1504 2.4957 2.4957 2.5674 2.5674 3.0505 3.0505 3.1389 3.1389 7.2521 7.2521 8.9003 8.9003 9.0372 9.0372 9.6357 9.6357 10.1540 10.1540 k = 0.4778 0.3272 0.3031 ( 5252 PWs) bands (ev): -49.8638 -49.8638 -26.5900 -26.5900 -25.9636 -25.9636 -25.9053 -25.9053 -9.1453 -9.1453 -9.0032 -9.0032 0.6773 0.6773 1.1535 1.1535 2.4926 2.4926 2.5625 2.5625 3.0387 3.0387 3.1280 3.1280 7.2681 7.2681 8.8957 8.8957 9.0317 9.0317 9.6335 9.6335 10.1553 10.1553 k = 0.4722 0.3368 0.3031 ( 5244 PWs) bands (ev): -49.8638 -49.8638 -26.5900 -26.5900 -25.9636 -25.9636 -25.9055 -25.9055 -9.1431 -9.1431 -9.0032 -9.0032 0.6866 0.6866 1.1574 1.1574 2.4881 2.4881 2.5564 2.5564 3.0225 3.0225 3.1157 3.1157 7.2883 7.2883 8.8899 8.8899 9.0247 9.0247 9.6311 9.6311 10.1567 10.1567 k = 0.4667 0.3464 0.3031 ( 5232 PWs) bands (ev): -49.8638 -49.8638 -26.5901 -26.5901 -25.9636 -25.9636 -25.9057 -25.9057 -9.1404 -9.1404 -9.0031 -9.0031 0.6978 0.6978 1.1621 1.1621 2.4820 2.4820 2.5491 2.5491 3.0020 3.0020 3.1029 3.1029 7.3126 7.3126 8.8829 8.8829 9.0162 9.0162 9.6285 9.6285 10.1581 10.1581 k = 0.4611 0.3560 0.3031 ( 5240 PWs) bands (ev): -49.8637 -49.8637 -26.5902 -26.5902 -25.9636 -25.9636 -25.9060 -25.9060 -9.1373 -9.1373 -9.0031 -9.0031 0.7111 0.7111 1.1676 1.1676 2.4741 2.4741 2.5406 2.5406 2.9774 2.9774 3.0899 3.0899 7.3406 7.3406 8.8748 8.8748 9.0061 9.0061 9.6261 9.6261 10.1595 10.1595 k = 0.4556 0.3657 0.3031 ( 5240 PWs) bands (ev): -49.8637 -49.8637 -26.5903 -26.5903 -25.9636 -25.9636 -25.9063 -25.9063 -9.1337 -9.1337 -9.0031 -9.0031 0.7263 0.7263 1.1739 1.1739 2.4642 2.4642 2.5304 2.5304 2.9498 2.9498 3.0769 3.0769 7.3722 7.3722 8.8657 8.8657 8.9946 8.9947 9.6240 9.6240 10.1606 10.1606 k = 0.4500 0.3753 0.3031 ( 5256 PWs) bands (ev): -49.8637 -49.8637 -26.5903 -26.5903 -25.9636 -25.9636 -25.9066 -25.9066 -9.1297 -9.1297 -9.0031 -9.0031 0.7434 0.7434 1.1810 1.1810 2.4522 2.4522 2.5181 2.5181 2.9204 2.9204 3.0637 3.0637 7.4070 7.4070 8.8557 8.8557 8.9817 8.9817 9.6226 9.6226 10.1612 10.1612 k = 0.4444 0.3849 0.3031 ( 5252 PWs) bands (ev): -49.8636 -49.8636 -26.5904 -26.5904 -25.9636 -25.9636 -25.9069 -25.9069 -9.1254 -9.1254 -9.0031 -9.0031 0.7624 0.7624 1.1888 1.1888 2.4380 2.4380 2.5030 2.5030 2.8907 2.8907 3.0502 3.0502 7.4447 7.4447 8.8446 8.8446 8.9674 8.9674 9.6221 9.6221 10.1613 10.1613 k = 0.4389 0.3945 0.3031 ( 5272 PWs) bands (ev): -49.8636 -49.8636 -26.5905 -26.5905 -25.9636 -25.9636 -25.9073 -25.9073 -9.1207 -9.1207 -9.0032 -9.0032 0.7833 0.7833 1.1972 1.1972 2.4215 2.4215 2.4843 2.4843 2.8625 2.8625 3.0364 3.0364 7.4851 7.4851 8.8326 8.8326 8.9517 8.9517 9.6227 9.6227 10.1607 10.1607 k = 0.4333 0.4041 0.3031 ( 5268 PWs) bands (ev): -49.8636 -49.8636 -26.5907 -26.5907 -25.9636 -25.9636 -25.9077 -25.9077 -9.1157 -9.1157 -9.0033 -9.0033 0.8061 0.8061 1.2062 1.2062 2.4025 2.4025 2.4615 2.4615 2.8370 2.8370 3.0223 3.0223 7.5280 7.5280 8.8198 8.8198 8.9348 8.9348 9.6247 9.6247 10.1592 10.1592 k = 0.4278 0.4138 0.3031 ( 5260 PWs) bands (ev): -49.8635 -49.8635 -26.5908 -26.5908 -25.9636 -25.9636 -25.9080 -25.9080 -9.1104 -9.1104 -9.0034 -9.0034 0.8305 0.8305 1.2158 1.2158 2.3801 2.3801 2.4350 2.4350 2.8155 2.8155 3.0077 3.0077 7.5730 7.5730 8.8060 8.8060 8.9165 8.9165 9.6282 9.6282 10.1566 10.1566 k = 0.4222 0.4234 0.3031 ( 5264 PWs) bands (ev): -49.8635 -49.8635 -26.5909 -26.5909 -25.9637 -25.9637 -25.9084 -25.9084 -9.1049 -9.1049 -9.0036 -9.0036 0.8567 0.8567 1.2258 1.2258 2.3527 2.3527 2.4065 2.4065 2.7985 2.7985 2.9929 2.9929 7.6198 7.6198 8.7913 8.7913 8.8971 8.8971 9.6335 9.6335 10.1530 10.1530 k = 0.4167 0.4330 0.3031 ( 5266 PWs) bands (ev): -49.8634 -49.8634 -26.5910 -26.5910 -25.9637 -25.9637 -25.9088 -25.9088 -9.0992 -9.0992 -9.0038 -9.0038 0.8845 0.8845 1.2362 1.2362 2.3181 2.3181 2.3789 2.3789 2.7859 2.7859 2.9779 2.9779 7.6684 7.6684 8.7758 8.7758 8.8765 8.8765 9.6406 9.6406 10.1482 10.1482 k = 0.4111 0.4426 0.3031 ( 5270 PWs) bands (ev): -49.8634 -49.8634 -26.5912 -26.5912 -25.9638 -25.9638 -25.9092 -25.9092 -9.0933 -9.0933 -9.0041 -9.0041 0.9139 0.9139 1.2470 1.2470 2.2758 2.2758 2.3536 2.3536 2.7774 2.7774 2.9627 2.9627 7.7185 7.7185 8.7593 8.7593 8.8549 8.8549 9.6497 9.6497 10.1422 10.1422 k = 0.4056 0.4523 0.3031 ( 5264 PWs) bands (ev): -49.8633 -49.8633 -26.5913 -26.5913 -25.9638 -25.9638 -25.9096 -25.9096 -9.0873 -9.0873 -9.0045 -9.0045 0.9448 0.9448 1.2580 1.2580 2.2276 2.2276 2.3302 2.3302 2.7722 2.7722 2.9476 2.9476 7.7698 7.7698 8.7420 8.7420 8.8323 8.8323 9.6607 9.6607 10.1348 10.1348 k = 0.4000 0.4619 0.3031 ( 5276 PWs) bands (ev): -49.8633 -49.8633 -26.5914 -26.5914 -25.9639 -25.9639 -25.9099 -25.9099 -9.0812 -9.0812 -9.0050 -9.0050 0.9771 0.9771 1.2690 1.2690 2.1752 2.1752 2.3080 2.3080 2.7696 2.7696 2.9327 2.9327 7.8222 7.8222 8.7239 8.7239 8.8088 8.8088 9.6737 9.6737 10.1261 10.1261 k = 0.3944 0.4715 0.3031 ( 5276 PWs) bands (ev): -49.8633 -49.8633 -26.5916 -26.5916 -25.9640 -25.9640 -25.9103 -25.9103 -9.0752 -9.0752 -9.0056 -9.0056 1.0107 1.0107 1.2801 1.2801 2.1202 2.1202 2.2868 2.2868 2.7692 2.7692 2.9180 2.9180 7.8754 7.8754 8.7049 8.7049 8.7845 8.7845 9.6887 9.6887 10.1160 10.1160 k = 0.3889 0.4811 0.3031 ( 5280 PWs) bands (ev): -49.8632 -49.8632 -26.5917 -26.5917 -25.9641 -25.9641 -25.9106 -25.9106 -9.0691 -9.0691 -9.0063 -9.0063 1.0454 1.0454 1.2910 1.2910 2.0638 2.0638 2.2663 2.2663 2.7703 2.7703 2.9038 2.9038 7.9294 7.9294 8.6851 8.6851 8.7594 8.7594 9.7054 9.7054 10.1046 10.1046 k = 0.3833 0.4907 0.3031 ( 5284 PWs) bands (ev): -49.8632 -49.8632 -26.5918 -26.5918 -25.9642 -25.9642 -25.9109 -25.9109 -9.0632 -9.0632 -9.0071 -9.0071 1.0811 1.0811 1.3017 1.3017 2.0068 2.0068 2.2468 2.2468 2.7727 2.7727 2.8902 2.8902 7.9840 7.9840 8.6646 8.6646 8.7337 8.7337 9.7239 9.7239 10.0919 10.0919 k = 0.3778 0.5004 0.3031 ( 5292 PWs) bands (ev): -49.8631 -49.8631 -26.5920 -26.5920 -25.9642 -25.9642 -25.9111 -25.9111 -9.0573 -9.0573 -9.0081 -9.0081 1.1176 1.1176 1.3119 1.3119 1.9499 1.9499 2.2284 2.2284 2.7759 2.7759 2.8772 2.8772 8.0389 8.0389 8.6434 8.6434 8.7075 8.7075 9.7439 9.7439 10.0778 10.0778 k = 0.3722 0.5100 0.3031 ( 5276 PWs) bands (ev): -49.8631 -49.8631 -26.5921 -26.5921 -25.9643 -25.9643 -25.9114 -25.9114 -9.0517 -9.0517 -9.0092 -9.0092 1.1546 1.1546 1.3215 1.3215 1.8939 1.8939 2.2113 2.2113 2.7796 2.7796 2.8651 2.8651 8.0940 8.0940 8.6216 8.6216 8.6808 8.6808 9.7652 9.7652 10.0626 10.0626 k = 0.3667 0.5196 0.3031 ( 5276 PWs) bands (ev): -49.8631 -49.8631 -26.5922 -26.5922 -25.9644 -25.9644 -25.9116 -25.9116 -9.0463 -9.0463 -9.0105 -9.0105 1.1918 1.1918 1.3305 1.3305 1.8395 1.8395 2.1957 2.1957 2.7837 2.7837 2.8540 2.8540 8.1492 8.1492 8.5992 8.5992 8.6538 8.6538 9.7876 9.7876 10.0461 10.0461 k = 0.3611 0.5292 0.3031 ( 5274 PWs) bands (ev): -49.8630 -49.8630 -26.5923 -26.5923 -25.9645 -25.9645 -25.9118 -25.9118 -9.0413 -9.0413 -9.0119 -9.0119 1.2284 1.2284 1.3386 1.3386 1.7875 1.7875 2.1820 2.1820 2.7880 2.7880 2.8439 2.8439 8.2042 8.2042 8.5763 8.5763 8.6266 8.6266 9.8107 9.8107 10.0286 10.0286 k = 0.3556 0.5389 0.3031 ( 5274 PWs) bands (ev): -49.8630 -49.8630 -26.5924 -26.5924 -25.9646 -25.9646 -25.9119 -25.9119 -9.0365 -9.0365 -9.0135 -9.0135 1.2634 1.2634 1.3460 1.3460 1.7390 1.7390 2.1703 2.1703 2.7921 2.7921 2.8352 2.8352 8.2588 8.2588 8.5531 8.5531 8.5994 8.5994 9.8344 9.8344 10.0101 10.0101 k = 0.3500 0.5485 0.3031 ( 5262 PWs) bands (ev): -49.8630 -49.8630 -26.5924 -26.5924 -25.9647 -25.9647 -25.9120 -25.9120 -9.0322 -9.0322 -9.0152 -9.0152 1.2950 1.2950 1.3531 1.3531 1.6955 1.6955 2.1609 2.1609 2.7958 2.7958 2.8279 2.8279 8.3126 8.3126 8.5296 8.5296 8.5723 8.5723 9.8582 9.8582 9.9906 9.9906 k = 0.3444 0.5581 0.3031 ( 5258 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9647 -25.9647 -25.9121 -25.9121 -9.0284 -9.0284 -9.0172 -9.0172 1.3196 1.3196 1.3609 1.3609 1.6597 1.6597 2.1540 2.1540 2.7989 2.7989 2.8224 2.8224 8.3653 8.3653 8.5060 8.5060 8.5456 8.5456 9.8819 9.8819 9.9703 9.9703 k = 0.3389 0.5677 0.3031 ( 5266 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9121 -25.9121 -9.0253 -9.0253 -9.0191 -9.0191 1.3335 1.3335 1.3693 1.3693 1.6351 1.6351 2.1498 2.1498 2.8008 2.8008 2.8190 2.8190 8.4151 8.4151 8.4829 8.4829 8.5203 8.5203 9.9052 9.9052 9.9493 9.9493 k = 0.3333 0.5774 0.3031 ( 5274 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9122 -25.9122 -9.0236 -9.0236 -9.0204 -9.0204 1.3374 1.3374 1.3734 1.3734 1.6264 1.6264 2.1483 2.1483 2.8013 2.8013 2.8180 2.8180 8.4464 8.4464 8.4687 8.4687 8.5037 8.5037 9.9263 9.9263 9.9289 9.9289 k = 0.3333 0.5774 0.3031 ( 5274 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9122 -25.9122 -9.0236 -9.0236 -9.0204 -9.0204 1.3374 1.3374 1.3734 1.3734 1.6264 1.6264 2.1483 2.1483 2.8013 2.8013 2.8180 2.8180 8.4464 8.4464 8.4687 8.4687 8.5037 8.5037 9.9263 9.9263 9.9289 9.9289 k = 0.3277 0.5676 0.3031 ( 5264 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9121 -25.9121 -9.0252 -9.0252 -9.0193 -9.0193 1.3336 1.3336 1.3693 1.3693 1.6351 1.6351 2.1498 2.1498 2.8011 2.8011 2.8187 2.8187 8.4291 8.4291 8.4571 8.4571 8.5321 8.5321 9.9051 9.9051 9.9492 9.9492 k = 0.3220 0.5578 0.3031 ( 5264 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9647 -25.9647 -25.9121 -25.9121 -9.0279 -9.0279 -9.0179 -9.0179 1.3211 1.3211 1.3610 1.3610 1.6584 1.6584 2.1543 2.1543 2.8012 2.8012 2.8201 2.8201 8.4052 8.4052 8.4332 8.4332 8.5783 8.5783 9.8823 9.8823 9.9692 9.9692 k = 0.3164 0.5480 0.3031 ( 5268 PWs) bands (ev): -49.8630 -49.8630 -26.5924 -26.5924 -25.9646 -25.9646 -25.9120 -25.9120 -9.0309 -9.0309 -9.0172 -9.0172 1.3004 1.3004 1.3533 1.3533 1.6913 1.6913 2.1617 2.1617 2.8019 2.8019 2.8214 2.8214 8.3807 8.3807 8.4080 8.4080 8.6250 8.6250 9.8593 9.8593 9.9872 9.9872 k = 0.3107 0.5382 0.3031 ( 5272 PWs) bands (ev): -49.8630 -49.8630 -26.5923 -26.5923 -25.9645 -25.9645 -25.9119 -25.9119 -9.0343 -9.0343 -9.0171 -9.0171 1.2755 1.2755 1.3464 1.3464 1.7297 1.7297 2.1720 2.1720 2.8036 2.8036 2.8227 2.8227 8.3562 8.3562 8.3831 8.3831 8.6703 8.6703 9.8363 9.8363 10.0029 10.0029 k = 0.3051 0.5284 0.3031 ( 5260 PWs) bands (ev): -49.8631 -49.8631 -26.5922 -26.5922 -25.9643 -25.9643 -25.9118 -25.9118 -9.0379 -9.0379 -9.0178 -9.0178 1.2496 1.2496 1.3394 1.3394 1.7714 1.7714 2.1850 2.1850 2.8058 2.8058 2.8241 2.8241 8.3319 8.3319 8.3586 8.3586 8.7135 8.7135 9.8134 9.8134 10.0160 10.0160 k = 0.2994 0.5186 0.3031 ( 5268 PWs) bands (ev): -49.8631 -49.8631 -26.5920 -26.5920 -25.9641 -25.9641 -25.9117 -25.9117 -9.0418 -9.0418 -9.0194 -9.0194 1.2245 1.2245 1.3322 1.3322 1.8152 1.8152 2.2005 2.2005 2.8079 2.8079 2.8262 2.8262 8.3079 8.3079 8.3348 8.3348 8.7542 8.7542 9.7907 9.7907 10.0262 10.0262 k = 0.2938 0.5089 0.3031 ( 5260 PWs) bands (ev): -49.8632 -49.8632 -26.5918 -26.5918 -25.9638 -25.9638 -25.9115 -25.9115 -9.0460 -9.0460 -9.0218 -9.0218 1.2013 1.2013 1.3248 1.3248 1.8600 1.8600 2.2185 2.2185 2.8087 2.8087 2.8302 2.8302 8.2842 8.2842 8.3118 8.3118 8.7921 8.7921 9.7685 9.7685 10.0332 10.0332 k = 0.2881 0.4991 0.3031 ( 5256 PWs) bands (ev): -49.8632 -49.8632 -26.5916 -26.5916 -25.9635 -25.9635 -25.9114 -25.9114 -9.0504 -9.0504 -9.0251 -9.0251 1.1806 1.1806 1.3172 1.3172 1.9055 1.9055 2.2386 2.2386 2.8076 2.8076 2.8365 2.8365 8.2609 8.2609 8.2896 8.2896 8.8271 8.8271 9.7468 9.7468 10.0368 10.0368 k = 0.2825 0.4893 0.3031 ( 5262 PWs) bands (ev): -49.8633 -49.8633 -26.5913 -26.5913 -25.9631 -25.9631 -25.9112 -25.9112 -9.0551 -9.0551 -9.0293 -9.0293 1.1626 1.1626 1.3098 1.3098 1.9513 1.9513 2.2609 2.2609 2.8048 2.8048 2.8450 2.8450 8.2380 8.2380 8.2684 8.2684 8.8589 8.8589 9.7258 9.7258 10.0369 10.0369 k = 0.2768 0.4795 0.3031 ( 5270 PWs) bands (ev): -49.8633 -49.8633 -26.5910 -26.5910 -25.9626 -25.9626 -25.9110 -25.9110 -9.0600 -9.0600 -9.0345 -9.0345 1.1478 1.1478 1.3027 1.3027 1.9970 1.9970 2.2850 2.2850 2.8005 2.8005 2.8551 2.8551 8.2155 8.2155 8.2482 8.2482 8.8873 8.8873 9.7056 9.7056 10.0334 10.0334 k = 0.2712 0.4697 0.3031 ( 5282 PWs) bands (ev): -49.8634 -49.8634 -26.5907 -26.5907 -25.9621 -25.9621 -25.9108 -25.9108 -9.0652 -9.0652 -9.0405 -9.0405 1.1361 1.1361 1.2961 1.2961 2.0424 2.0424 2.3108 2.3108 2.7950 2.7950 2.8667 2.8667 8.1935 8.1935 8.2291 8.2291 8.9121 8.9121 9.6862 9.6862 10.0261 10.0261 k = 0.2655 0.4599 0.3031 ( 5276 PWs) bands (ev): -49.8635 -49.8635 -26.5903 -26.5903 -25.9615 -25.9615 -25.9106 -25.9106 -9.0706 -9.0706 -9.0475 -9.0475 1.1277 1.1277 1.2902 1.2902 2.0874 2.0874 2.3383 2.3383 2.7885 2.7885 2.8795 2.8795 8.1721 8.1721 8.2112 8.2112 8.9335 8.9335 9.6678 9.6678 10.0151 10.0151 k = 0.2599 0.4501 0.3031 ( 5268 PWs) bands (ev): -49.8636 -49.8636 -26.5899 -26.5899 -25.9609 -25.9609 -25.9104 -25.9104 -9.0763 -9.0763 -9.0555 -9.0555 1.1227 1.1227 1.2852 1.2852 2.1318 2.1318 2.3672 2.3672 2.7809 2.7809 2.8934 2.8934 8.1512 8.1512 8.1945 8.1945 8.9513 8.9513 9.6503 9.6503 10.0005 10.0005 k = 0.2542 0.4404 0.3031 ( 5272 PWs) bands (ev): -49.8637 -49.8637 -26.5894 -26.5894 -25.9601 -25.9601 -25.9102 -25.9102 -9.0823 -9.0823 -9.0643 -9.0643 1.1211 1.1211 1.2812 1.2812 2.1754 2.1754 2.3975 2.3975 2.7724 2.7724 2.9083 2.9083 8.1309 8.1309 8.1789 8.1789 8.9655 8.9655 9.6337 9.6337 9.9824 9.9824 k = 0.2486 0.4306 0.3031 ( 5276 PWs) bands (ev): -49.8639 -49.8639 -26.5889 -26.5889 -25.9593 -25.9593 -25.9100 -25.9100 -9.0885 -9.0885 -9.0741 -9.0741 1.1227 1.1227 1.2784 1.2784 2.2181 2.2181 2.4290 2.4290 2.7630 2.7630 2.9240 2.9240 8.1112 8.1112 8.1645 8.1645 8.9764 8.9764 9.6180 9.6180 9.9609 9.9609 k = 0.2429 0.4208 0.3031 ( 5268 PWs) bands (ev): -49.8640 -49.8640 -26.5883 -26.5883 -25.9585 -25.9585 -25.9098 -25.9098 -9.0949 -9.0949 -9.0847 -9.0847 1.1277 1.1277 1.2769 1.2769 2.2598 2.2598 2.4617 2.4617 2.7529 2.7529 2.9404 2.9404 8.0923 8.0923 8.1513 8.1513 8.9840 8.9840 9.6030 9.6030 9.9363 9.9363 k = 0.2373 0.4110 0.3031 ( 5268 PWs) bands (ev): -49.8641 -49.8641 -26.5877 -26.5877 -25.9575 -25.9575 -25.9096 -25.9096 -9.1017 -9.1017 -9.0961 -9.0961 1.1359 1.1359 1.2768 1.2768 2.3003 2.3003 2.4954 2.4954 2.7422 2.7422 2.9574 2.9574 8.0742 8.0742 8.1392 8.1392 8.9886 8.9886 9.5887 9.5887 9.9089 9.9089 k = 0.2316 0.4012 0.3031 ( 5270 PWs) bands (ev): -49.8643 -49.8643 -26.5871 -26.5871 -25.9565 -25.9565 -25.9094 -25.9094 -9.1100 -9.1100 -9.1070 -9.1070 1.1473 1.1473 1.2782 1.2782 2.3396 2.3396 2.5301 2.5301 2.7310 2.7310 2.9747 2.9747 8.0568 8.0568 8.1282 8.1282 8.9904 8.9904 9.5750 9.5750 9.8788 9.8788 k = 0.2260 0.3914 0.3031 ( 5270 PWs) bands (ev): -49.8644 -49.8644 -26.5864 -26.5864 -25.9554 -25.9554 -25.9092 -25.9092 -9.1224 -9.1224 -9.1148 -9.1148 1.1617 1.1617 1.2812 1.2812 2.3775 2.3775 2.5655 2.5655 2.7196 2.7196 2.9923 2.9923 8.0404 8.0404 8.1183 8.1183 8.9896 8.9896 9.5617 9.5617 9.8465 9.8465 k = 0.2203 0.3816 0.3031 ( 5262 PWs) bands (ev): -49.8646 -49.8646 -26.5858 -26.5858 -25.9543 -25.9543 -25.9090 -25.9090 -9.1363 -9.1363 -9.1221 -9.1221 1.1789 1.1789 1.2858 1.2858 2.4140 2.4140 2.6014 2.6014 2.7084 2.7084 3.0101 3.0101 8.0249 8.0249 8.1095 8.1095 8.9864 8.9864 9.5489 9.5489 9.8122 9.8122 k = 0.2147 0.3719 0.3031 ( 5264 PWs) bands (ev): -49.8647 -49.8647 -26.5850 -26.5850 -25.9530 -25.9530 -25.9088 -25.9088 -9.1510 -9.1510 -9.1295 -9.1295 1.1987 1.1987 1.2921 1.2921 2.4489 2.4489 2.6368 2.6368 2.6985 2.6985 3.0279 3.0279 8.0104 8.0104 8.1016 8.1016 8.9811 8.9811 9.5364 9.5364 9.7763 9.7763 k = 0.2090 0.3621 0.3031 ( 5262 PWs) bands (ev): -49.8649 -49.8649 -26.5843 -26.5843 -25.9518 -25.9518 -25.9087 -25.9087 -9.1664 -9.1664 -9.1370 -9.1370 1.2211 1.2211 1.3002 1.3002 2.4820 2.4820 2.6650 2.6650 2.6969 2.6969 3.0455 3.0455 7.9969 7.9969 8.0946 8.0946 8.9738 8.9738 9.5244 9.5244 9.7391 9.7391 k = 0.2034 0.3523 0.3031 ( 5258 PWs) bands (ev): -49.8651 -49.8651 -26.5835 -26.5835 -25.9504 -25.9504 -25.9085 -25.9085 -9.1824 -9.1824 -9.1446 -9.1446 1.2456 1.2456 1.3101 1.3101 2.5131 2.5131 2.6671 2.6671 2.7229 2.7229 3.0628 3.0628 7.9844 7.9844 8.0885 8.0885 8.9646 8.9646 9.5128 9.5128 9.7010 9.7010 k = 0.1977 0.3425 0.3031 ( 5266 PWs) bands (ev): -49.8653 -49.8653 -26.5826 -26.5826 -25.9490 -25.9490 -25.9084 -25.9084 -9.1991 -9.1991 -9.1524 -9.1524 1.2720 1.2720 1.3217 1.3217 2.5417 2.5417 2.6604 2.6604 2.7598 2.7598 3.0797 3.0797 7.9730 7.9730 8.0832 8.0832 8.9536 8.9536 9.5018 9.5018 9.6623 9.6623 k = 0.1921 0.3327 0.3031 ( 5270 PWs) bands (ev): -49.8655 -49.8655 -26.5818 -26.5818 -25.9475 -25.9475 -25.9082 -25.9082 -9.2162 -9.2162 -9.1602 -9.1602 1.3000 1.3000 1.3352 1.3352 2.5666 2.5666 2.6552 2.6552 2.7986 2.7986 3.0961 3.0961 7.9626 7.9626 8.0786 8.0786 8.9408 8.9408 9.4913 9.4913 9.6235 9.6235 k = 0.1864 0.3229 0.3031 ( 5274 PWs) bands (ev): -49.8657 -49.8657 -26.5809 -26.5809 -25.9460 -25.9460 -25.9081 -25.9081 -9.2338 -9.2338 -9.1681 -9.1681 1.3292 1.3292 1.3506 1.3506 2.5853 2.5853 2.6555 2.6555 2.8381 2.8381 3.1119 3.1119 7.9533 7.9533 8.0748 8.0748 8.9264 8.9264 9.4817 9.4817 9.5848 9.5848 k = 0.1808 0.3131 0.3031 ( 5262 PWs) bands (ev): -49.8659 -49.8659 -26.5800 -26.5800 -25.9445 -25.9445 -25.9080 -25.9080 -9.2519 -9.2519 -9.1761 -9.1761 1.3589 1.3589 1.3681 1.3681 2.5950 2.5950 2.6647 2.6647 2.8779 2.8779 3.1270 3.1270 7.9451 7.9451 8.0715 8.0715 8.9103 8.9103 9.4729 9.4729 9.5467 9.5467 k = 0.1751 0.3034 0.3031 ( 5262 PWs) bands (ev): -49.8661 -49.8661 -26.5791 -26.5791 -25.9429 -25.9429 -25.9079 -25.9079 -9.2702 -9.2702 -9.1841 -9.1841 1.3854 1.3854 1.3909 1.3909 2.5975 2.5975 2.6814 2.6814 2.9177 2.9177 3.1413 3.1413 7.9379 7.9379 8.0688 8.0688 8.8924 8.8924 9.4651 9.4651 9.5095 9.5095 k = 0.1695 0.2936 0.3031 ( 5264 PWs) bands (ev): -49.8663 -49.8663 -26.5782 -26.5782 -25.9412 -25.9412 -25.9078 -25.9078 -9.2889 -9.2889 -9.1921 -9.1921 1.4068 1.4068 1.4204 1.4204 2.5974 2.5974 2.7018 2.7018 2.9574 2.9574 3.1549 3.1549 7.9317 7.9317 8.0666 8.0666 8.8729 8.8729 9.4583 9.4583 9.4736 9.4736 k = 0.1638 0.2838 0.3031 ( 5260 PWs) bands (ev): -49.8665 -49.8665 -26.5773 -26.5773 -25.9396 -25.9396 -25.9077 -25.9077 -9.3077 -9.3077 -9.2002 -9.2002 1.4295 1.4295 1.4499 1.4499 2.5973 2.5973 2.7234 2.7234 2.9964 2.9964 3.1678 3.1678 7.9265 7.9265 8.0648 8.0648 8.8518 8.8518 9.4388 9.4388 9.4532 9.4532 k = 0.1582 0.2740 0.3031 ( 5264 PWs) bands (ev): -49.8667 -49.8667 -26.5764 -26.5764 -25.9379 -25.9379 -25.9076 -25.9076 -9.3267 -9.3267 -9.2082 -9.2082 1.4537 1.4537 1.4782 1.4782 2.5988 2.5988 2.7454 2.7454 3.0344 3.0344 3.1803 3.1803 7.9222 7.9222 8.0634 8.0634 8.8291 8.8291 9.4064 9.4064 9.4488 9.4488 k = 0.1525 0.2642 0.3031 ( 5264 PWs) bands (ev): -49.8669 -49.8669 -26.5754 -26.5754 -25.9361 -25.9361 -25.9075 -25.9075 -9.3457 -9.3457 -9.2162 -9.2162 1.4797 1.4797 1.5048 1.5048 2.6024 2.6024 2.7677 2.7677 3.0704 3.0704 3.1932 3.1932 7.9187 7.9187 8.0622 8.0622 8.8048 8.8048 9.3761 9.3761 9.4456 9.4456 k = 0.1469 0.2544 0.3031 ( 5260 PWs) bands (ev): -49.8671 -49.8671 -26.5745 -26.5745 -25.9344 -25.9344 -25.9075 -25.9075 -9.3648 -9.3648 -9.2241 -9.2241 1.5071 1.5071 1.5294 1.5294 2.6084 2.6084 2.7904 2.7904 3.1029 3.1029 3.2076 3.2076 7.9160 7.9160 8.0613 8.0613 8.7790 8.7790 9.3483 9.3483 9.4437 9.4437 k = 0.1412 0.2446 0.3031 ( 5252 PWs) bands (ev): -49.8673 -49.8673 -26.5736 -26.5736 -25.9326 -25.9326 -25.9074 -25.9074 -9.3838 -9.3838 -9.2319 -9.2319 1.5356 1.5356 1.5519 1.5519 2.6168 2.6168 2.8140 2.8140 3.1296 3.1296 3.2257 3.2257 7.9140 7.9140 8.0605 8.0605 8.7519 8.7519 9.3233 9.3233 9.4428 9.4428 k = 0.1356 0.2349 0.3031 ( 5252 PWs) bands (ev): -49.8676 -49.8676 -26.5727 -26.5727 -25.9309 -25.9309 -25.9074 -25.9074 -9.4026 -9.4026 -9.2396 -9.2396 1.5627 1.5627 1.5744 1.5744 2.6274 2.6274 2.8388 2.8388 3.1486 3.1486 3.2493 3.2493 7.9125 7.9125 8.0598 8.0598 8.7236 8.7236 9.3013 9.3013 9.4430 9.4430 k = 0.1299 0.2251 0.3031 ( 5256 PWs) bands (ev): -49.8678 -49.8678 -26.5718 -26.5718 -25.9291 -25.9291 -25.9073 -25.9073 -9.4213 -9.4213 -9.2472 -9.2472 1.5819 1.5819 1.6032 1.6032 2.6397 2.6397 2.8656 2.8656 3.1599 3.1599 3.2780 3.2780 7.9116 7.9116 8.0591 8.0591 8.6942 8.6942 9.2826 9.2826 9.4440 9.4440 k = 0.1243 0.2153 0.3031 ( 5256 PWs) bands (ev): -49.8680 -49.8680 -26.5709 -26.5709 -25.9274 -25.9274 -25.9073 -25.9073 -9.4397 -9.4397 -9.2547 -9.2547 1.5950 1.5950 1.6363 1.6363 2.6529 2.6529 2.8948 2.8948 3.1653 3.1653 3.3100 3.3100 7.9111 7.9111 8.0583 8.0583 8.6639 8.6639 9.2673 9.2673 9.4459 9.4459 k = 0.1186 0.2055 0.3031 ( 5256 PWs) bands (ev): -49.8682 -49.8682 -26.5700 -26.5700 -25.9257 -25.9257 -25.9073 -25.9073 -9.4577 -9.4577 -9.2620 -9.2620 1.6043 1.6043 1.6714 1.6714 2.6664 2.6664 2.9271 2.9271 3.1666 3.1666 3.3434 3.3434 7.9110 7.9110 8.0574 8.0574 8.6328 8.6328 9.2557 9.2557 9.4485 9.4485 k = 0.1130 0.1957 0.3031 ( 5260 PWs) bands (ev): -49.8684 -49.8684 -26.5691 -26.5691 -25.9240 -25.9240 -25.9073 -25.9073 -9.4754 -9.4754 -9.2691 -9.2691 1.6105 1.6105 1.7080 1.7080 2.6796 2.6796 2.9627 2.9627 3.1647 3.1647 3.3771 3.3771 7.9112 7.9112 8.0563 8.0563 8.6011 8.6011 9.2477 9.2477 9.4515 9.4515 k = 0.1073 0.1859 0.3031 ( 5260 PWs) bands (ev): -49.8686 -49.8686 -26.5683 -26.5683 -25.9223 -25.9223 -25.9072 -25.9072 -9.4926 -9.4926 -9.2760 -9.2760 1.6139 1.6139 1.7459 1.7459 2.6918 2.6918 3.0015 3.0015 3.1605 3.1605 3.4105 3.4105 7.9116 7.9116 8.0549 8.0549 8.5689 8.5689 9.2434 9.2434 9.4551 9.4551 k = 0.1017 0.1761 0.3031 ( 5260 PWs) bands (ev): -49.8688 -49.8688 -26.5675 -26.5675 -25.9207 -25.9207 -25.9072 -25.9072 -9.5093 -9.5093 -9.2826 -9.2826 1.6149 1.6149 1.7850 1.7850 2.7028 2.7028 3.0425 3.0425 3.1549 3.1549 3.4432 3.4432 7.9123 7.9123 8.0531 8.0531 8.5366 8.5366 9.2428 9.2428 9.4589 9.4589 k = 0.0960 0.1664 0.3031 ( 5256 PWs) bands (ev): -49.8690 -49.8690 -26.5667 -26.5667 -25.9191 -25.9191 -25.9072 -25.9072 -9.5254 -9.5254 -9.2890 -9.2890 1.6137 1.6137 1.8252 1.8252 2.7123 2.7123 3.0821 3.0821 3.1514 3.1514 3.4748 3.4748 7.9131 7.9131 8.0508 8.0508 8.5043 8.5043 9.2458 9.2458 9.4629 9.4629 k = 0.0904 0.1566 0.3031 ( 5254 PWs) bands (ev): -49.8691 -49.8691 -26.5659 -26.5659 -25.9175 -25.9175 -25.9072 -25.9072 -9.5409 -9.5409 -9.2952 -9.2952 1.6109 1.6109 1.8663 1.8663 2.7205 2.7205 3.1048 3.1048 3.1650 3.1650 3.5053 3.5053 7.9141 7.9141 8.0480 8.0480 8.4723 8.4723 9.2523 9.2523 9.4670 9.4670 k = 0.0847 0.1468 0.3031 ( 5258 PWs) bands (ev): -49.8693 -49.8693 -26.5652 -26.5652 -25.9161 -25.9161 -25.9072 -25.9072 -9.5558 -9.5558 -9.3011 -9.3011 1.6067 1.6067 1.9084 1.9084 2.7273 2.7273 3.1009 3.1009 3.2048 3.2048 3.5344 3.5344 7.9153 7.9153 8.0446 8.0446 8.4409 8.4409 9.2621 9.2621 9.4712 9.4712 k = 0.0791 0.1370 0.3031 ( 5266 PWs) bands (ev): -49.8695 -49.8695 -26.5645 -26.5645 -25.9147 -25.9147 -25.9071 -25.9071 -9.5699 -9.5699 -9.3066 -9.3066 1.6014 1.6014 1.9511 1.9511 2.7329 2.7329 3.0872 3.0872 3.2535 3.2535 3.5621 3.5621 7.9166 7.9166 8.0404 8.0404 8.4103 8.4103 9.2749 9.2749 9.4753 9.4753 k = 0.0734 0.1272 0.3031 ( 5270 PWs) bands (ev): -49.8696 -49.8696 -26.5639 -26.5639 -25.9134 -25.9134 -25.9070 -25.9070 -9.5832 -9.5832 -9.3119 -9.3119 1.5954 1.5954 1.9945 1.9945 2.7374 2.7374 3.0695 3.0695 3.3045 3.3045 3.5883 3.5883 7.9181 7.9181 8.0353 8.0353 8.3809 8.3809 9.2904 9.2904 9.4792 9.4792 k = 0.0678 0.1174 0.3031 ( 5272 PWs) bands (ev): -49.8698 -49.8698 -26.5633 -26.5633 -25.9122 -25.9122 -25.9069 -25.9069 -9.5958 -9.5958 -9.3169 -9.3169 1.5889 1.5889 2.0383 2.0383 2.7410 2.7410 3.0491 3.0491 3.3558 3.3558 3.6130 3.6130 7.9197 7.9197 8.0293 8.0293 8.3531 8.3531 9.3083 9.3083 9.4830 9.4830 k = 0.0621 0.1076 0.3031 ( 5274 PWs) bands (ev): -49.8699 -49.8699 -26.5627 -26.5627 -25.9112 -25.9112 -25.9068 -25.9068 -9.6075 -9.6075 -9.3214 -9.3214 1.5822 1.5822 2.0825 2.0825 2.7437 2.7437 3.0266 3.0266 3.4062 3.4062 3.6361 3.6361 7.9214 7.9214 8.0222 8.0222 8.3271 8.3271 9.3280 9.3280 9.4865 9.4865 k = 0.0565 0.0979 0.3031 ( 5282 PWs) bands (ev): -49.8700 -49.8700 -26.5622 -26.5622 -25.9103 -25.9103 -25.9066 -25.9066 -9.6183 -9.6183 -9.3257 -9.3257 1.5754 1.5754 2.1268 2.1268 2.7457 2.7457 3.0022 3.0022 3.4548 3.4548 3.6578 3.6578 7.9232 7.9232 8.0141 8.0141 8.3034 8.3034 9.3491 9.3491 9.4898 9.4898 k = 0.0508 0.0881 0.3031 ( 5290 PWs) bands (ev): -49.8701 -49.8701 -26.5617 -26.5617 -25.9096 -25.9096 -25.9062 -25.9062 -9.6281 -9.6281 -9.3296 -9.3296 1.5688 1.5688 2.1710 2.1710 2.7471 2.7471 2.9762 2.9762 3.5008 3.5008 3.6780 3.6780 7.9250 7.9250 8.0050 8.0050 8.2822 8.2822 9.3710 9.3710 9.4928 9.4928 k = 0.0452 0.0783 0.3031 ( 5294 PWs) bands (ev): -49.8702 -49.8702 -26.5613 -26.5613 -25.9091 -25.9091 -25.9058 -25.9058 -9.6371 -9.6371 -9.3331 -9.3331 1.5625 1.5625 2.2149 2.2149 2.7479 2.7479 2.9489 2.9489 3.5434 3.5434 3.6968 3.6968 7.9269 7.9269 7.9951 7.9951 8.2637 8.2637 9.3931 9.3931 9.4956 9.4956 k = 0.0395 0.0685 0.3031 ( 5294 PWs) bands (ev): -49.8703 -49.8703 -26.5609 -26.5609 -25.9088 -25.9088 -25.9053 -25.9053 -9.6450 -9.6450 -9.3362 -9.3362 1.5567 1.5567 2.2581 2.2581 2.7481 2.7481 2.9206 2.9206 3.5816 3.5816 3.7145 3.7145 7.9288 7.9288 7.9847 7.9847 8.2479 8.2479 9.4149 9.4149 9.4980 9.4980 k = 0.0339 0.0587 0.3031 ( 5288 PWs) bands (ev): -49.8704 -49.8704 -26.5606 -26.5606 -25.9086 -25.9086 -25.9047 -25.9047 -9.6519 -9.6519 -9.3389 -9.3389 1.5514 1.5514 2.3003 2.3003 2.7476 2.7476 2.8920 2.8920 3.6148 3.6148 3.7311 3.7311 7.9305 7.9305 7.9742 7.9742 8.2347 8.2347 9.4355 9.4355 9.5003 9.5003 k = 0.0282 0.0489 0.3031 ( 5284 PWs) bands (ev): -49.8705 -49.8705 -26.5603 -26.5603 -25.9085 -25.9085 -25.9042 -25.9042 -9.6578 -9.6578 -9.3412 -9.3412 1.5467 1.5467 2.3408 2.3408 2.7462 2.7462 2.8639 2.8639 3.6425 3.6425 3.7467 3.7467 7.9321 7.9321 7.9642 7.9642 8.2240 8.2240 9.4543 9.4543 9.5023 9.5023 k = 0.0226 0.0391 0.3031 ( 5280 PWs) bands (ev): -49.8705 -49.8705 -26.5601 -26.5601 -25.9084 -25.9084 -25.9038 -25.9038 -9.6627 -9.6627 -9.3431 -9.3431 1.5429 1.5429 2.3788 2.3788 2.7435 2.7435 2.8376 2.8376 3.6643 3.6643 3.7609 3.7609 7.9334 7.9334 7.9551 7.9551 8.2156 8.2156 9.4704 9.4704 9.5044 9.5044 k = 0.0169 0.0294 0.3031 ( 5276 PWs) bands (ev): -49.8706 -49.8706 -26.5599 -26.5599 -25.9084 -25.9084 -25.9035 -25.9035 -9.6665 -9.6665 -9.3446 -9.3446 1.5398 1.5398 2.4130 2.4130 2.7386 2.7386 2.8152 2.8152 3.6804 3.6804 3.7733 3.7733 7.9344 7.9344 7.9476 7.9476 8.2094 8.2094 9.4830 9.4830 9.5066 9.5066 k = 0.0113 0.0196 0.3031 ( 5284 PWs) bands (ev): -49.8706 -49.8706 -26.5597 -26.5597 -25.9083 -25.9083 -25.9032 -25.9032 -9.6692 -9.6692 -9.3456 -9.3456 1.5375 1.5375 2.4412 2.4412 2.7315 2.7315 2.7991 2.7991 3.6914 3.6914 3.7830 3.7830 7.9349 7.9349 7.9421 7.9421 8.2051 8.2051 9.4912 9.4912 9.5094 9.5094 k = 0.0056 0.0098 0.3031 ( 5288 PWs) bands (ev): -49.8706 -49.8706 -26.5597 -26.5597 -25.9083 -25.9083 -25.9030 -25.9030 -9.6708 -9.6708 -9.3463 -9.3463 1.5362 1.5362 2.4605 2.4605 2.7241 2.7241 2.7902 2.7902 3.6977 3.6977 3.7891 3.7891 7.9346 7.9346 7.9393 7.9393 8.2025 8.2025 9.4954 9.4954 9.5120 9.5120 k = 0.0000 0.0000 0.3031 ( 5288 PWs) bands (ev): -49.8707 -49.8707 -26.5596 -26.5596 -25.9083 -25.9083 -25.9030 -25.9030 -9.6714 -9.6714 -9.3465 -9.3465 1.5357 1.5357 2.4674 2.4674 2.7208 2.7208 2.7874 2.7874 3.6997 3.6997 3.7912 3.7912 7.9342 7.9342 7.9387 7.9387 8.2017 8.2017 9.4966 9.4966 9.5132 9.5132 k = 0.5000 0.2887 0.3031 ( 5260 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1493 -9.1493 -9.0033 -9.0033 0.6609 0.6609 1.1465 1.1465 2.4994 2.4994 2.5739 2.5739 3.0646 3.0646 3.1548 3.1548 7.2312 7.2312 8.9063 8.9063 9.0442 9.0442 9.6388 9.6388 10.1522 10.1522 k = 0.5000 0.2887 0.2918 ( 5252 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1492 -9.1492 -9.0034 -9.0034 0.6610 0.6610 1.1479 1.1479 2.4989 2.4989 2.5738 2.5738 3.0636 3.0636 3.1539 3.1539 7.2312 7.2312 8.9064 8.9064 9.0442 9.0442 9.6393 9.6393 10.1521 10.1521 k = 0.5000 0.2887 0.2806 ( 5254 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1489 -9.1489 -9.0038 -9.0038 0.6613 0.6613 1.1520 1.1520 2.4972 2.4972 2.5738 2.5738 3.0607 3.0607 3.1513 3.1513 7.2313 7.2313 8.9064 8.9064 9.0443 9.0443 9.6409 9.6409 10.1517 10.1517 k = 0.5000 0.2887 0.2694 ( 5244 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1483 -9.1483 -9.0045 -9.0045 0.6620 0.6620 1.1588 1.1588 2.4944 2.4944 2.5740 2.5740 3.0557 3.0557 3.1470 3.1470 7.2313 7.2313 8.9064 8.9064 9.0444 9.0444 9.6436 9.6436 10.1509 10.1509 k = 0.5000 0.2887 0.2582 ( 5256 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1475 -9.1475 -9.0054 -9.0054 0.6629 0.6629 1.1682 1.1682 2.4901 2.4901 2.5746 2.5746 3.0486 3.0486 3.1412 3.1412 7.2314 7.2314 8.9065 8.9065 9.0445 9.0445 9.6473 9.6473 10.1499 10.1499 k = 0.5000 0.2887 0.2469 ( 5254 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1465 -9.1465 -9.0066 -9.0066 0.6641 0.6641 1.1802 1.1802 2.4843 2.4843 2.5758 2.5758 3.0392 3.0392 3.1340 3.1340 7.2316 7.2316 8.9066 8.9066 9.0446 9.0446 9.6519 9.6519 10.1484 10.1484 k = 0.5000 0.2887 0.2357 ( 5246 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1452 -9.1452 -9.0080 -9.0080 0.6656 0.6656 1.1946 1.1946 2.4769 2.4769 2.5779 2.5779 3.0274 3.0274 3.1258 3.1258 7.2317 7.2317 8.9067 8.9067 9.0448 9.0448 9.6575 9.6575 10.1465 10.1465 k = 0.5000 0.2887 0.2245 ( 5242 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1438 -9.1438 -9.0097 -9.0097 0.6675 0.6675 1.2112 1.2112 2.4680 2.4680 2.5809 2.5809 3.0131 3.0131 3.1166 3.1166 7.2319 7.2319 8.9068 8.9068 9.0450 9.0450 9.6640 9.6640 10.1441 10.1441 k = 0.5000 0.2887 0.2133 ( 5242 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1421 -9.1421 -9.0116 -9.0116 0.6698 0.6698 1.2300 1.2300 2.4576 2.4576 2.5848 2.5848 2.9963 2.9963 3.1068 3.1068 7.2320 7.2320 8.9070 8.9070 9.0452 9.0452 9.6712 9.6712 10.1413 10.1413 k = 0.5000 0.2887 0.2020 ( 5246 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1402 -9.1402 -9.0138 -9.0138 0.6726 0.6726 1.2507 1.2507 2.4459 2.4459 2.5897 2.5897 2.9769 2.9769 3.0963 3.0963 7.2322 7.2322 8.9071 8.9071 9.0455 9.0455 9.6792 9.6792 10.1379 10.1379 k = 0.5000 0.2887 0.1908 ( 5256 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1381 -9.1381 -9.0161 -9.0161 0.6757 0.6757 1.2731 1.2731 2.4333 2.4333 2.5955 2.5955 2.9550 2.9550 3.0854 3.0854 7.2324 7.2324 8.9073 8.9073 9.0457 9.0457 9.6877 9.6877 10.1339 10.1339 k = 0.5000 0.2887 0.1796 ( 5256 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1358 -9.1358 -9.0187 -9.0187 0.6792 0.6792 1.2971 1.2971 2.4199 2.4199 2.6020 2.6020 2.9309 2.9309 3.0742 3.0742 7.2325 7.2325 8.9074 8.9074 9.0460 9.0460 9.6967 9.6967 10.1295 10.1295 k = 0.5000 0.2887 0.1684 ( 5250 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1333 -9.1333 -9.0215 -9.0215 0.6831 0.6831 1.3225 1.3225 2.4061 2.4061 2.6093 2.6093 2.9045 2.9045 3.0625 3.0625 7.2327 7.2327 8.9076 8.9076 9.0462 9.0462 9.7060 9.7060 10.1246 10.1246 k = 0.5000 0.2887 0.1571 ( 5256 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1306 -9.1306 -9.0245 -9.0245 0.6873 0.6873 1.3490 1.3490 2.3922 2.3922 2.6172 2.6172 2.8762 2.8762 3.0506 3.0506 7.2329 7.2329 8.9077 8.9077 9.0465 9.0465 9.7156 9.7156 10.1193 10.1193 k = 0.5000 0.2887 0.1459 ( 5258 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1278 -9.1278 -9.0276 -9.0276 0.6918 0.6918 1.3763 1.3763 2.3784 2.3784 2.6257 2.6257 2.8463 2.8463 3.0384 3.0384 7.2330 7.2330 8.9079 8.9079 9.0468 9.0468 9.7254 9.7254 10.1136 10.1136 k = 0.5000 0.2887 0.1347 ( 5256 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1248 -9.1248 -9.0310 -9.0310 0.6965 0.6965 1.4042 1.4042 2.3652 2.3652 2.6346 2.6346 2.8150 2.8150 3.0260 3.0260 7.2331 7.2331 8.9080 8.9080 9.0470 9.0470 9.7351 9.7351 10.1078 10.1078 k = 0.5000 0.2887 0.1235 ( 5258 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1216 -9.1216 -9.0344 -9.0344 0.7013 0.7013 1.4323 1.4323 2.3529 2.3529 2.6438 2.6438 2.7828 2.7828 3.0133 3.0133 7.2332 7.2332 8.9082 8.9082 9.0473 9.0473 9.7446 9.7446 10.1019 10.1019 k = 0.5000 0.2887 0.1122 ( 5262 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1182 -9.1182 -9.0381 -9.0381 0.7062 0.7062 1.4603 1.4603 2.3417 2.3417 2.6528 2.6528 2.7503 2.7503 3.0006 3.0006 7.2332 7.2332 8.9083 8.9083 9.0475 9.0475 9.7539 9.7539 10.0960 10.0960 k = 0.5000 0.2887 0.1010 ( 5254 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1148 -9.1148 -9.0418 -9.0418 0.7111 0.7111 1.4878 1.4878 2.3320 2.3320 2.6604 2.6604 2.7188 2.7188 2.9879 2.9879 7.2333 7.2333 8.9084 8.9084 9.0477 9.0477 9.7628 9.7628 10.0902 10.0902 k = 0.5000 0.2887 0.0898 ( 5246 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1112 -9.1112 -9.0457 -9.0457 0.7158 0.7158 1.5143 1.5143 2.3242 2.3242 2.6599 2.6599 2.6956 2.6956 2.9753 2.9753 7.2333 7.2333 8.9085 8.9085 9.0479 9.0479 9.7712 9.7712 10.0847 10.0847 k = 0.5000 0.2887 0.0786 ( 5246 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1074 -9.1074 -9.0496 -9.0496 0.7203 0.7203 1.5395 1.5395 2.3186 2.3186 2.6382 2.6382 2.6938 2.6938 2.9630 2.9630 7.2334 7.2334 8.9086 8.9086 9.0481 9.0481 9.7789 9.7789 10.0796 10.0796 k = 0.5000 0.2887 0.0673 ( 5238 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.1036 -9.1036 -9.0537 -9.0537 0.7244 0.7244 1.5627 1.5627 2.3153 2.3153 2.6082 2.6082 2.7010 2.7010 2.9512 2.9512 7.2334 7.2334 8.9087 8.9087 9.0483 9.0483 9.7858 9.7858 10.0750 10.0750 k = 0.5000 0.2887 0.0561 ( 5238 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.0996 -9.0996 -9.0578 -9.0578 0.7281 0.7281 1.5834 1.5834 2.3144 2.3144 2.5779 2.5779 2.7096 2.7096 2.9401 2.9401 7.2334 7.2334 8.9088 8.9088 9.0484 9.0484 9.7918 9.7918 10.0708 10.0708 k = 0.5000 0.2887 0.0449 ( 5238 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.0956 -9.0956 -9.0620 -9.0620 0.7313 0.7313 1.6013 1.6013 2.3159 2.3159 2.5495 2.5495 2.7179 2.7179 2.9301 2.9301 7.2334 7.2334 8.9089 8.9089 9.0485 9.0485 9.7969 9.7969 10.0674 10.0674 k = 0.5000 0.2887 0.0337 ( 5240 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.0915 -9.0915 -9.0662 -9.0662 0.7339 0.7339 1.6157 1.6157 2.3193 2.3193 2.5243 2.5243 2.7252 2.7252 2.9215 2.9215 7.2333 7.2333 8.9089 8.9089 9.0486 9.0486 9.8009 9.8009 10.0646 10.0646 k = 0.5000 0.2887 0.0224 ( 5240 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.0874 -9.0874 -9.0704 -9.0704 0.7357 0.7357 1.6263 1.6263 2.3236 2.3236 2.5039 2.5039 2.7311 2.7311 2.9149 2.9149 7.2333 7.2333 8.9089 8.9089 9.0487 9.0487 9.8039 9.8039 10.0626 10.0626 k = 0.5000 0.2887 0.0112 ( 5236 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.0832 -9.0832 -9.0747 -9.0747 0.7369 0.7369 1.6328 1.6328 2.3273 2.3273 2.4904 2.4904 2.7348 2.7348 2.9106 2.9106 7.2333 7.2333 8.9090 8.9090 9.0487 9.0487 9.8056 9.8056 10.0614 10.0614 k = 0.5000 0.2887-0.0000 ( 5234 PWs) bands (ev): -49.8638 -49.8638 -26.5899 -26.5899 -25.9636 -25.9636 -25.9049 -25.9049 -9.0790 -9.0790 -9.0789 -9.0789 0.7373 0.7373 1.6350 1.6350 2.3288 2.3288 2.4856 2.4856 2.7361 2.7361 2.9092 2.9092 7.2333 7.2333 8.9090 8.9090 9.0487 9.0487 9.8062 9.8062 10.0610 10.0610 k = 0.3333 0.5774-0.0000 ( 5256 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9121 -25.9121 -9.0245 -9.0245 -9.0212 -9.0212 1.3238 1.3238 1.6022 1.6022 1.6585 1.6585 2.4379 2.4379 2.4521 2.4521 2.5491 2.5491 8.4470 8.4470 8.5477 8.5477 8.5797 8.5797 9.6500 9.6500 9.6533 9.6533 k = 0.3333 0.5774 0.0112 ( 5262 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9121 -25.9121 -9.0245 -9.0245 -9.0212 -9.0212 1.3245 1.3245 1.6010 1.6010 1.6571 1.6571 2.4393 2.4393 2.4536 2.4536 2.5483 2.5483 8.4472 8.4472 8.5473 8.5473 8.5793 8.5793 9.6509 9.6509 9.6542 9.6542 k = 0.3333 0.5774 0.0224 ( 5250 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9121 -25.9121 -9.0244 -9.0244 -9.0212 -9.0212 1.3266 1.3266 1.5973 1.5973 1.6530 1.6530 2.4437 2.4437 2.4582 2.4582 2.5459 2.5459 8.4477 8.4477 8.5462 8.5462 8.5781 8.5781 9.6536 9.6536 9.6568 9.6568 k = 0.3333 0.5774 0.0337 ( 5250 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9121 -25.9121 -9.0244 -9.0244 -9.0212 -9.0212 1.3300 1.3300 1.5913 1.5913 1.6463 1.6463 2.4505 2.4505 2.4656 2.4656 2.5422 2.5422 8.4486 8.4486 8.5443 8.5443 8.5762 8.5762 9.6580 9.6580 9.6612 9.6612 k = 0.3333 0.5774 0.0449 ( 5238 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9121 -25.9121 -9.0244 -9.0244 -9.0211 -9.0211 1.3349 1.3349 1.5831 1.5831 1.6373 1.6373 2.4590 2.4590 2.4757 2.4757 2.5376 2.5376 8.4498 8.4498 8.5417 8.5417 8.5735 8.5735 9.6642 9.6642 9.6672 9.6672 k = 0.3333 0.5774 0.0561 ( 5238 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9121 -25.9121 -9.0244 -9.0244 -9.0211 -9.0211 1.3411 1.3411 1.5731 1.5731 1.6263 1.6263 2.4679 2.4679 2.4881 2.4881 2.5334 2.5334 8.4512 8.4512 8.5384 8.5384 8.5701 8.5701 9.6720 9.6720 9.6748 9.6748 k = 0.3333 0.5774 0.0673 ( 5238 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9121 -25.9121 -9.0244 -9.0244 -9.0211 -9.0211 1.3486 1.3486 1.5614 1.5614 1.6135 1.6135 2.4741 2.4741 2.5027 2.5027 2.5322 2.5322 8.4530 8.4530 8.5345 8.5345 8.5661 8.5661 9.6813 9.6813 9.6839 9.6839 k = 0.3333 0.5774 0.0786 ( 5235 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9121 -25.9121 -9.0243 -9.0243 -9.0211 -9.0211 1.3574 1.3574 1.5484 1.5484 1.5994 1.5994 2.4739 2.4739 2.5190 2.5190 2.5375 2.5375 8.4550 8.4550 8.5301 8.5301 8.5616 8.5616 9.6921 9.6921 9.6944 9.6944 k = 0.3333 0.5774 0.0898 ( 5241 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9121 -25.9121 -9.0243 -9.0243 -9.0210 -9.0210 1.3675 1.3675 1.5344 1.5344 1.5842 1.5842 2.4667 2.4667 2.5367 2.5367 2.5496 2.5496 8.4573 8.4573 8.5253 8.5253 8.5566 8.5566 9.7041 9.7041 9.7062 9.7062 k = 0.3333 0.5774 0.1010 ( 5241 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9121 -25.9121 -9.0242 -9.0242 -9.0210 -9.0210 1.3787 1.3787 1.5197 1.5197 1.5683 1.5683 2.4546 2.4546 2.5555 2.5555 2.5661 2.5661 8.4597 8.4597 8.5201 8.5201 8.5513 8.5513 9.7172 9.7172 9.7190 9.7190 k = 0.3333 0.5774 0.1122 ( 5244 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9121 -25.9121 -9.0242 -9.0242 -9.0209 -9.0209 1.3910 1.3910 1.5045 1.5045 1.5521 1.5521 2.4396 2.4396 2.5750 2.5750 2.5849 2.5849 8.4622 8.4622 8.5146 8.5146 8.5457 8.5457 9.7313 9.7313 9.7328 9.7328 k = 0.3333 0.5774 0.1235 ( 5247 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9121 -25.9121 -9.0242 -9.0242 -9.0209 -9.0209 1.4042 1.4042 1.4891 1.4891 1.5357 1.5357 2.4224 2.4224 2.5951 2.5951 2.6049 2.6049 8.4649 8.4649 8.5088 8.5088 8.5399 8.5399 9.7462 9.7462 9.7473 9.7473 k = 0.3333 0.5774 0.1347 ( 5247 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9121 -25.9121 -9.0241 -9.0241 -9.0209 -9.0209 1.4184 1.4184 1.4736 1.4736 1.5196 1.5196 2.4036 2.4036 2.6152 2.6152 2.6254 2.6254 8.4675 8.4675 8.5030 8.5030 8.5341 8.5341 9.7616 9.7616 9.7625 9.7625 k = 0.3333 0.5774 0.1459 ( 5250 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9121 -25.9121 -9.0241 -9.0241 -9.0208 -9.0208 1.4331 1.4331 1.4584 1.4584 1.5041 1.5041 2.3836 2.3836 2.6353 2.6353 2.6461 2.6461 8.4702 8.4702 8.4971 8.4971 8.5283 8.5283 9.7775 9.7775 9.7780 9.7780 k = 0.3333 0.5774 0.1571 ( 5244 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9121 -25.9121 -9.0240 -9.0240 -9.0208 -9.0208 1.4436 1.4436 1.4474 1.4474 1.4901 1.4901 2.3627 2.3627 2.6551 2.6551 2.6664 2.6664 8.4727 8.4727 8.4913 8.4913 8.5227 8.5227 9.7936 9.7936 9.7938 9.7938 k = 0.3333 0.5774 0.1684 ( 5253 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9122 -25.9122 -9.0240 -9.0240 -9.0207 -9.0207 1.4293 1.4293 1.4568 1.4568 1.4823 1.4823 2.3410 2.3410 2.6743 2.6743 2.6863 2.6863 8.4750 8.4750 8.4855 8.4855 8.5173 8.5173 9.8095 9.8095 9.8097 9.8097 k = 0.3333 0.5774 0.1796 ( 5259 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9122 -25.9122 -9.0239 -9.0239 -9.0207 -9.0207 1.4157 1.4157 1.4517 1.4517 1.4904 1.4904 2.3190 2.3190 2.6926 2.6926 2.7053 2.7053 8.4770 8.4770 8.4800 8.4800 8.5124 8.5124 9.8251 9.8251 9.8256 9.8256 k = 0.3333 0.5774 0.1908 ( 5265 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9122 -25.9122 -9.0239 -9.0239 -9.0206 -9.0206 1.4029 1.4029 1.4403 1.4403 1.5058 1.5058 2.2967 2.2967 2.7101 2.7101 2.7234 2.7234 8.4747 8.4747 8.4785 8.4785 8.5082 8.5082 9.8402 9.8402 9.8410 9.8410 k = 0.3333 0.5774 0.2020 ( 5265 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9122 -25.9122 -9.0238 -9.0238 -9.0206 -9.0206 1.3910 1.3910 1.4286 1.4286 1.5227 1.5227 2.2746 2.2746 2.7264 2.7264 2.7403 2.7403 8.4697 8.4697 8.4792 8.4792 8.5049 8.5049 9.8547 9.8547 9.8558 9.8558 k = 0.3333 0.5774 0.2133 ( 5265 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9122 -25.9122 -9.0238 -9.0238 -9.0206 -9.0206 1.3802 1.3802 1.4176 1.4176 1.5398 1.5398 2.2529 2.2529 2.7414 2.7414 2.7559 2.7559 8.4651 8.4651 8.4790 8.4790 8.5027 8.5027 9.8684 9.8684 9.8697 9.8697 k = 0.3333 0.5774 0.2245 ( 5265 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9122 -25.9122 -9.0237 -9.0237 -9.0205 -9.0205 1.3704 1.3704 1.4076 1.4076 1.5565 1.5565 2.2321 2.2321 2.7549 2.7549 2.7699 2.7699 8.4609 8.4609 8.4780 8.4780 8.5017 8.5017 9.8810 9.8810 9.8826 9.8826 k = 0.3333 0.5774 0.2357 ( 5265 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9122 -25.9122 -9.0237 -9.0237 -9.0205 -9.0205 1.3618 1.3618 1.3987 1.3987 1.5725 1.5725 2.2125 2.2125 2.7669 2.7669 2.7824 2.7824 8.4572 8.4572 8.4763 8.4763 8.5015 8.5015 9.8924 9.8924 9.8943 9.8943 k = 0.3333 0.5774 0.2469 ( 5265 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9122 -25.9122 -9.0237 -9.0237 -9.0205 -9.0205 1.3545 1.3545 1.3911 1.3911 1.5873 1.5873 2.1946 2.1946 2.7772 2.7772 2.7931 2.7931 8.4539 8.4539 8.4744 8.4744 8.5018 8.5018 9.9024 9.9024 9.9045 9.9045 k = 0.3333 0.5774 0.2582 ( 5253 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9122 -25.9122 -9.0237 -9.0237 -9.0204 -9.0204 1.3484 1.3484 1.3848 1.3848 1.6004 1.6004 2.1790 2.1790 2.7858 2.7858 2.8020 2.8020 8.4513 8.4513 8.4725 8.4725 8.5023 8.5023 9.9108 9.9108 9.9130 9.9130 k = 0.3333 0.5774 0.2694 ( 5262 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9122 -25.9122 -9.0236 -9.0236 -9.0204 -9.0204 1.3436 1.3436 1.3799 1.3799 1.6113 1.6113 2.1660 2.1660 2.7926 2.7926 2.8090 2.8090 8.4491 8.4491 8.4709 8.4709 8.5029 8.5029 9.9175 9.9175 9.9199 9.9199 k = 0.3333 0.5774 0.2806 ( 5262 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9122 -25.9122 -9.0236 -9.0236 -9.0204 -9.0204 1.3402 1.3402 1.3763 1.3763 1.6195 1.6195 2.1564 2.1564 2.7974 2.7974 2.8140 2.8140 8.4476 8.4476 8.4697 8.4697 8.5033 8.5033 9.9224 9.9224 9.9248 9.9248 k = 0.3333 0.5774 0.2918 ( 5268 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9122 -25.9122 -9.0236 -9.0236 -9.0204 -9.0204 1.3381 1.3381 1.3742 1.3742 1.6246 1.6246 2.1504 2.1504 2.8004 2.8004 2.8170 2.8170 8.4467 8.4467 8.4690 8.4690 8.5036 8.5036 9.9254 9.9254 9.9278 9.9278 k = 0.3333 0.5774 0.3031 ( 5274 PWs) bands (ev): -49.8630 -49.8630 -26.5925 -26.5925 -25.9648 -25.9648 -25.9122 -25.9122 -9.0236 -9.0236 -9.0204 -9.0204 1.3374 1.3374 1.3734 1.3734 1.6264 1.6264 2.1483 2.1483 2.8013 2.8013 2.8180 2.8180 8.4464 8.4464 8.4687 8.4687 8.5037 8.5037 9.9263 9.9263 9.9289 9.9289 Writing output data file TiCl2.save init_run : 0.12s CPU 0.27s WALL ( 1 calls) electrons : 110.14s CPU 113.07s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 110.14s CPU 113.06s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 370 calls) cegterg : 102.34s CPU 103.89s WALL ( 376 calls) Called by sum_band: Called by *egterg: h_psi : 64.00s CPU 65.46s WALL ( 6981 calls) s_psi : 2.40s CPU 2.45s WALL ( 6981 calls) g_psi : 0.26s CPU 0.25s WALL ( 6235 calls) cdiaghg : 28.33s CPU 28.66s WALL ( 6605 calls) cegterg:over : 4.59s CPU 4.54s WALL ( 6235 calls) cegterg:upda : 3.66s CPU 3.79s WALL ( 6235 calls) cegterg:last : 2.68s CPU 2.65s WALL ( 1503 calls) cdiaghg:chol : 1.57s CPU 1.63s WALL ( 6605 calls) cdiaghg:inve : 0.82s CPU 0.84s WALL ( 6605 calls) cdiaghg:para : 1.65s CPU 1.62s WALL ( 13210 calls) Called by h_psi: h_psi:vloc : 56.93s CPU 57.92s WALL ( 6981 calls) h_psi:vnl : 6.86s CPU 7.31s WALL ( 6981 calls) add_vuspsi : 3.59s CPU 3.83s WALL ( 6981 calls) General routines calbec : 3.26s CPU 3.46s WALL ( 6981 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 54.18s CPU 54.97s WALL ( 657888 calls) davcio : 0.20s CPU 0.21s WALL ( 740 calls) Parallel routines fft_scatter : 20.98s CPU 21.35s WALL ( 657903 calls) PWSCF : 2m 3.54s CPU 2m19.94s WALL This run was terminated on: 17: 1:30 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=