Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:47: 6 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: ./FeCl2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 20 16 4 736 498 78 Max 21 17 5 747 511 87 Sum 745 583 169 26753 18185 2989 bravais-lattice index = 14 lattice parameter (alat) = 6.7747 a.u. unit-cell volume = 430.7635 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.774668 celldm(2)= 1.000000 celldm(3)= 1.599721 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 1.599721 ) 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 0.625109 ) 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 Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Fe 8.00 55.84500 Fe( 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= 373 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026810 k( 2) = ( 0.0098039 0.0056603 -0.0000000), wk = 0.0026810 k( 3) = ( 0.0196078 0.0113206 -0.0000000), wk = 0.0026810 k( 4) = ( 0.0294118 0.0169809 -0.0000000), wk = 0.0026810 k( 5) = ( 0.0392157 0.0226412 -0.0000000), wk = 0.0026810 k( 6) = ( 0.0490196 0.0283015 -0.0000000), wk = 0.0026810 k( 7) = ( 0.0588235 0.0339618 -0.0000000), wk = 0.0026810 k( 8) = ( 0.0686275 0.0396221 -0.0000000), wk = 0.0026810 k( 9) = ( 0.0784314 0.0452824 -0.0000000), wk = 0.0026810 k( 10) = ( 0.0882353 0.0509427 -0.0000000), wk = 0.0026810 k( 11) = ( 0.0980392 0.0566030 -0.0000000), wk = 0.0026810 k( 12) = ( 0.1078431 0.0622633 -0.0000000), wk = 0.0026810 k( 13) = ( 0.1176471 0.0679236 -0.0000000), wk = 0.0026810 k( 14) = ( 0.1274510 0.0735839 -0.0000000), wk = 0.0026810 k( 15) = ( 0.1372549 0.0792442 -0.0000000), wk = 0.0026810 k( 16) = ( 0.1470588 0.0849044 -0.0000000), wk = 0.0026810 k( 17) = ( 0.1568627 0.0905648 -0.0000000), wk = 0.0026810 k( 18) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0026810 k( 19) = ( 0.1764706 0.1018853 -0.0000000), wk = 0.0026810 k( 20) = ( 0.1862745 0.1075456 -0.0000000), wk = 0.0026810 k( 21) = ( 0.1960784 0.1132059 -0.0000000), wk = 0.0026810 k( 22) = ( 0.2058823 0.1188662 -0.0000000), wk = 0.0026810 k( 23) = ( 0.2156863 0.1245265 -0.0000000), wk = 0.0026810 k( 24) = ( 0.2254902 0.1301868 -0.0000000), wk = 0.0026810 k( 25) = ( 0.2352941 0.1358471 -0.0000000), wk = 0.0026810 k( 26) = ( 0.2450980 0.1415074 -0.0000000), wk = 0.0026810 k( 27) = ( 0.2549020 0.1471677 -0.0000000), wk = 0.0026810 k( 28) = ( 0.2647059 0.1528280 -0.0000000), wk = 0.0026810 k( 29) = ( 0.2745098 0.1584883 -0.0000000), wk = 0.0026810 k( 30) = ( 0.2843137 0.1641486 -0.0000000), wk = 0.0026810 k( 31) = ( 0.2941177 0.1698089 -0.0000000), wk = 0.0026810 k( 32) = ( 0.3039216 0.1754692 -0.0000000), wk = 0.0026810 k( 33) = ( 0.3137255 0.1811295 -0.0000000), wk = 0.0026810 k( 34) = ( 0.3235294 0.1867898 -0.0000000), wk = 0.0026810 k( 35) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0026810 k( 36) = ( 0.3431373 0.1981104 -0.0000000), wk = 0.0026810 k( 37) = ( 0.3529412 0.2037707 -0.0000000), wk = 0.0026810 k( 38) = ( 0.3627451 0.2094310 -0.0000000), wk = 0.0026810 k( 39) = ( 0.3725490 0.2150913 -0.0000000), wk = 0.0026810 k( 40) = ( 0.3823529 0.2207516 -0.0000000), wk = 0.0026810 k( 41) = ( 0.3921569 0.2264119 -0.0000000), wk = 0.0026810 k( 42) = ( 0.4019608 0.2320722 -0.0000000), wk = 0.0026810 k( 43) = ( 0.4117647 0.2377325 -0.0000000), wk = 0.0026810 k( 44) = ( 0.4215686 0.2433928 -0.0000000), wk = 0.0026810 k( 45) = ( 0.4313726 0.2490531 -0.0000000), wk = 0.0026810 k( 46) = ( 0.4411765 0.2547134 -0.0000000), wk = 0.0026810 k( 47) = ( 0.4509804 0.2603736 -0.0000000), wk = 0.0026810 k( 48) = ( 0.4607843 0.2660339 -0.0000000), wk = 0.0026810 k( 49) = ( 0.4705882 0.2716942 -0.0000000), wk = 0.0026810 k( 50) = ( 0.4803922 0.2773545 -0.0000000), wk = 0.0026810 k( 51) = ( 0.4901961 0.2830148 -0.0000000), wk = 0.0026810 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026810 k( 53) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026810 k( 54) = ( 0.4944444 0.2982976 -0.0000000), wk = 0.0026810 k( 55) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0026810 k( 56) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0026810 k( 57) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0026810 k( 58) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0026810 k( 59) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0026810 k( 60) = ( 0.4611111 0.3560327 -0.0000000), wk = 0.0026810 k( 61) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0026810 k( 62) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0026810 k( 63) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0026810 k( 64) = ( 0.4388889 0.3945227 -0.0000000), wk = 0.0026810 k( 65) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0026810 k( 66) = ( 0.4277778 0.4137677 -0.0000000), wk = 0.0026810 k( 67) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0026810 k( 68) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0026810 k( 69) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0026810 k( 70) = ( 0.4055556 0.4522577 -0.0000000), wk = 0.0026810 k( 71) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0026810 k( 72) = ( 0.3944444 0.4715027 -0.0000000), wk = 0.0026810 k( 73) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0026810 k( 74) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0026810 k( 75) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0026810 k( 76) = ( 0.3722222 0.5099927 -0.0000000), wk = 0.0026810 k( 77) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0026810 k( 78) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0026810 k( 79) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0026810 k( 80) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0026810 k( 81) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0026810 k( 82) = ( 0.3388889 0.5677278 -0.0000000), wk = 0.0026810 k( 83) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026810 k( 84) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026810 k( 85) = ( 0.3276836 0.5675647 -0.0000000), wk = 0.0026810 k( 86) = ( 0.3220339 0.5577791 -0.0000000), wk = 0.0026810 k( 87) = ( 0.3163842 0.5479935 -0.0000000), wk = 0.0026810 k( 88) = ( 0.3107345 0.5382079 -0.0000000), wk = 0.0026810 k( 89) = ( 0.3050848 0.5284223 -0.0000000), wk = 0.0026810 k( 90) = ( 0.2994350 0.5186367 -0.0000000), wk = 0.0026810 k( 91) = ( 0.2937853 0.5088511 -0.0000000), wk = 0.0026810 k( 92) = ( 0.2881356 0.4990655 -0.0000000), wk = 0.0026810 k( 93) = ( 0.2824859 0.4892799 -0.0000000), wk = 0.0026810 k( 94) = ( 0.2768362 0.4794943 -0.0000000), wk = 0.0026810 k( 95) = ( 0.2711864 0.4697087 -0.0000000), wk = 0.0026810 k( 96) = ( 0.2655367 0.4599231 -0.0000000), wk = 0.0026810 k( 97) = ( 0.2598870 0.4501375 -0.0000000), wk = 0.0026810 k( 98) = ( 0.2542373 0.4403519 -0.0000000), wk = 0.0026810 k( 99) = ( 0.2485876 0.4305663 -0.0000000), wk = 0.0026810 k( 100) = ( 0.2429379 0.4207807 -0.0000000), wk = 0.0026810 k( 101) = ( 0.2372881 0.4109951 -0.0000000), wk = 0.0026810 k( 102) = ( 0.2316384 0.4012095 -0.0000000), wk = 0.0026810 k( 103) = ( 0.2259887 0.3914239 -0.0000000), wk = 0.0026810 k( 104) = ( 0.2203390 0.3816383 -0.0000000), wk = 0.0026810 k( 105) = ( 0.2146893 0.3718527 -0.0000000), wk = 0.0026810 k( 106) = ( 0.2090395 0.3620671 -0.0000000), wk = 0.0026810 k( 107) = ( 0.2033898 0.3522815 -0.0000000), wk = 0.0026810 k( 108) = ( 0.1977401 0.3424959 -0.0000000), wk = 0.0026810 k( 109) = ( 0.1920904 0.3327103 -0.0000000), wk = 0.0026810 k( 110) = ( 0.1864407 0.3229247 -0.0000000), wk = 0.0026810 k( 111) = ( 0.1807910 0.3131391 -0.0000000), wk = 0.0026810 k( 112) = ( 0.1751412 0.3033535 -0.0000000), wk = 0.0026810 k( 113) = ( 0.1694915 0.2935679 -0.0000000), wk = 0.0026810 k( 114) = ( 0.1638418 0.2837823 -0.0000000), wk = 0.0026810 k( 115) = ( 0.1581921 0.2739967 -0.0000000), wk = 0.0026810 k( 116) = ( 0.1525424 0.2642111 -0.0000000), wk = 0.0026810 k( 117) = ( 0.1468927 0.2544256 -0.0000000), wk = 0.0026810 k( 118) = ( 0.1412429 0.2446399 -0.0000000), wk = 0.0026810 k( 119) = ( 0.1355932 0.2348543 -0.0000000), wk = 0.0026810 k( 120) = ( 0.1299435 0.2250687 -0.0000000), wk = 0.0026810 k( 121) = ( 0.1242938 0.2152832 -0.0000000), wk = 0.0026810 k( 122) = ( 0.1186441 0.2054976 -0.0000000), wk = 0.0026810 k( 123) = ( 0.1129943 0.1957120 -0.0000000), wk = 0.0026810 k( 124) = ( 0.1073446 0.1859264 -0.0000000), wk = 0.0026810 k( 125) = ( 0.1016949 0.1761408 -0.0000000), wk = 0.0026810 k( 126) = ( 0.0960452 0.1663552 -0.0000000), wk = 0.0026810 k( 127) = ( 0.0903955 0.1565696 -0.0000000), wk = 0.0026810 k( 128) = ( 0.0847458 0.1467840 -0.0000000), wk = 0.0026810 k( 129) = ( 0.0790961 0.1369984 -0.0000000), wk = 0.0026810 k( 130) = ( 0.0734463 0.1272128 -0.0000000), wk = 0.0026810 k( 131) = ( 0.0677966 0.1174272 -0.0000000), wk = 0.0026810 k( 132) = ( 0.0621469 0.1076416 -0.0000000), wk = 0.0026810 k( 133) = ( 0.0564972 0.0978560 -0.0000000), wk = 0.0026810 k( 134) = ( 0.0508475 0.0880704 -0.0000000), wk = 0.0026810 k( 135) = ( 0.0451977 0.0782848 -0.0000000), wk = 0.0026810 k( 136) = ( 0.0395480 0.0684992 -0.0000000), wk = 0.0026810 k( 137) = ( 0.0338983 0.0587136 -0.0000000), wk = 0.0026810 k( 138) = ( 0.0282486 0.0489280 -0.0000000), wk = 0.0026810 k( 139) = ( 0.0225989 0.0391424 -0.0000000), wk = 0.0026810 k( 140) = ( 0.0169491 0.0293568 -0.0000000), wk = 0.0026810 k( 141) = ( 0.0112994 0.0195712 -0.0000000), wk = 0.0026810 k( 142) = ( 0.0056497 0.0097856 -0.0000000), wk = 0.0026810 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026810 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026810 k( 145) = ( 0.0000000 0.0000000 0.0111627), wk = 0.0026810 k( 146) = ( 0.0000000 0.0000000 0.0223253), wk = 0.0026810 k( 147) = ( 0.0000000 0.0000000 0.0334880), wk = 0.0026810 k( 148) = ( 0.0000000 0.0000000 0.0446506), wk = 0.0026810 k( 149) = ( 0.0000000 0.0000000 0.0558133), wk = 0.0026810 k( 150) = ( 0.0000000 0.0000000 0.0669760), wk = 0.0026810 k( 151) = ( 0.0000000 0.0000000 0.0781386), wk = 0.0026810 k( 152) = ( 0.0000000 0.0000000 0.0893013), wk = 0.0026810 k( 153) = ( 0.0000000 0.0000000 0.1004639), wk = 0.0026810 k( 154) = ( 0.0000000 0.0000000 0.1116266), wk = 0.0026810 k( 155) = ( 0.0000000 0.0000000 0.1227893), wk = 0.0026810 k( 156) = ( 0.0000000 0.0000000 0.1339519), wk = 0.0026810 k( 157) = ( 0.0000000 0.0000000 0.1451146), wk = 0.0026810 k( 158) = ( 0.0000000 0.0000000 0.1562772), wk = 0.0026810 k( 159) = ( 0.0000000 0.0000000 0.1674399), wk = 0.0026810 k( 160) = ( 0.0000000 0.0000000 0.1786026), wk = 0.0026810 k( 161) = ( 0.0000000 0.0000000 0.1897652), wk = 0.0026810 k( 162) = ( 0.0000000 0.0000000 0.2009279), wk = 0.0026810 k( 163) = ( 0.0000000 0.0000000 0.2120905), wk = 0.0026810 k( 164) = ( 0.0000000 0.0000000 0.2232532), wk = 0.0026810 k( 165) = ( 0.0000000 0.0000000 0.2344159), wk = 0.0026810 k( 166) = ( 0.0000000 0.0000000 0.2455785), wk = 0.0026810 k( 167) = ( 0.0000000 0.0000000 0.2567412), wk = 0.0026810 k( 168) = ( 0.0000000 0.0000000 0.2679038), wk = 0.0026810 k( 169) = ( 0.0000000 0.0000000 0.2790665), wk = 0.0026810 k( 170) = ( 0.0000000 0.0000000 0.2902292), wk = 0.0026810 k( 171) = ( 0.0000000 0.0000000 0.3013918), wk = 0.0026810 k( 172) = ( 0.0000000 0.0000000 0.3125545), wk = 0.0026810 k( 173) = ( 0.0000000 0.0000000 0.3125545), wk = 0.0026810 k( 174) = ( 0.0098039 0.0056603 0.3125545), wk = 0.0026810 k( 175) = ( 0.0196078 0.0113206 0.3125545), wk = 0.0026810 k( 176) = ( 0.0294118 0.0169809 0.3125545), wk = 0.0026810 k( 177) = ( 0.0392157 0.0226412 0.3125545), wk = 0.0026810 k( 178) = ( 0.0490196 0.0283015 0.3125545), wk = 0.0026810 k( 179) = ( 0.0588235 0.0339618 0.3125545), wk = 0.0026810 k( 180) = ( 0.0686275 0.0396221 0.3125545), wk = 0.0026810 k( 181) = ( 0.0784314 0.0452824 0.3125545), wk = 0.0026810 k( 182) = ( 0.0882353 0.0509427 0.3125545), wk = 0.0026810 k( 183) = ( 0.0980392 0.0566030 0.3125545), wk = 0.0026810 k( 184) = ( 0.1078431 0.0622633 0.3125545), wk = 0.0026810 k( 185) = ( 0.1176471 0.0679236 0.3125545), wk = 0.0026810 k( 186) = ( 0.1274510 0.0735839 0.3125545), wk = 0.0026810 k( 187) = ( 0.1372549 0.0792442 0.3125545), wk = 0.0026810 k( 188) = ( 0.1470588 0.0849044 0.3125545), wk = 0.0026810 k( 189) = ( 0.1568627 0.0905648 0.3125545), wk = 0.0026810 k( 190) = ( 0.1666667 0.0962250 0.3125545), wk = 0.0026810 k( 191) = ( 0.1764706 0.1018853 0.3125545), wk = 0.0026810 k( 192) = ( 0.1862745 0.1075456 0.3125545), wk = 0.0026810 k( 193) = ( 0.1960784 0.1132059 0.3125545), wk = 0.0026810 k( 194) = ( 0.2058823 0.1188662 0.3125545), wk = 0.0026810 k( 195) = ( 0.2156863 0.1245265 0.3125545), wk = 0.0026810 k( 196) = ( 0.2254902 0.1301868 0.3125545), wk = 0.0026810 k( 197) = ( 0.2352941 0.1358471 0.3125545), wk = 0.0026810 k( 198) = ( 0.2450980 0.1415074 0.3125545), wk = 0.0026810 k( 199) = ( 0.2549020 0.1471677 0.3125545), wk = 0.0026810 k( 200) = ( 0.2647059 0.1528280 0.3125545), wk = 0.0026810 k( 201) = ( 0.2745098 0.1584883 0.3125545), wk = 0.0026810 k( 202) = ( 0.2843137 0.1641486 0.3125545), wk = 0.0026810 k( 203) = ( 0.2941177 0.1698089 0.3125545), wk = 0.0026810 k( 204) = ( 0.3039216 0.1754692 0.3125545), wk = 0.0026810 k( 205) = ( 0.3137255 0.1811295 0.3125545), wk = 0.0026810 k( 206) = ( 0.3235294 0.1867898 0.3125545), wk = 0.0026810 k( 207) = ( 0.3333333 0.1924501 0.3125545), wk = 0.0026810 k( 208) = ( 0.3431373 0.1981104 0.3125545), wk = 0.0026810 k( 209) = ( 0.3529412 0.2037707 0.3125545), wk = 0.0026810 k( 210) = ( 0.3627451 0.2094310 0.3125545), wk = 0.0026810 k( 211) = ( 0.3725490 0.2150913 0.3125545), wk = 0.0026810 k( 212) = ( 0.3823529 0.2207516 0.3125545), wk = 0.0026810 k( 213) = ( 0.3921569 0.2264119 0.3125545), wk = 0.0026810 k( 214) = ( 0.4019608 0.2320722 0.3125545), wk = 0.0026810 k( 215) = ( 0.4117647 0.2377325 0.3125545), wk = 0.0026810 k( 216) = ( 0.4215686 0.2433928 0.3125545), wk = 0.0026810 k( 217) = ( 0.4313726 0.2490531 0.3125545), wk = 0.0026810 k( 218) = ( 0.4411765 0.2547134 0.3125545), wk = 0.0026810 k( 219) = ( 0.4509804 0.2603736 0.3125545), wk = 0.0026810 k( 220) = ( 0.4607843 0.2660339 0.3125545), wk = 0.0026810 k( 221) = ( 0.4705882 0.2716942 0.3125545), wk = 0.0026810 k( 222) = ( 0.4803922 0.2773545 0.3125545), wk = 0.0026810 k( 223) = ( 0.4901961 0.2830148 0.3125545), wk = 0.0026810 k( 224) = ( 0.5000000 0.2886751 0.3125545), wk = 0.0026810 k( 225) = ( 0.5000000 0.2886751 0.3125545), wk = 0.0026810 k( 226) = ( 0.4944444 0.2982976 0.3125545), wk = 0.0026810 k( 227) = ( 0.4888889 0.3079201 0.3125545), wk = 0.0026810 k( 228) = ( 0.4833333 0.3175426 0.3125545), wk = 0.0026810 k( 229) = ( 0.4777778 0.3271651 0.3125545), wk = 0.0026810 k( 230) = ( 0.4722222 0.3367877 0.3125545), wk = 0.0026810 k( 231) = ( 0.4666667 0.3464102 0.3125545), wk = 0.0026810 k( 232) = ( 0.4611111 0.3560327 0.3125545), wk = 0.0026810 k( 233) = ( 0.4555556 0.3656552 0.3125545), wk = 0.0026810 k( 234) = ( 0.4500000 0.3752777 0.3125545), wk = 0.0026810 k( 235) = ( 0.4444444 0.3849002 0.3125545), wk = 0.0026810 k( 236) = ( 0.4388889 0.3945227 0.3125545), wk = 0.0026810 k( 237) = ( 0.4333333 0.4041452 0.3125545), wk = 0.0026810 k( 238) = ( 0.4277778 0.4137677 0.3125545), wk = 0.0026810 k( 239) = ( 0.4222222 0.4233902 0.3125545), wk = 0.0026810 k( 240) = ( 0.4166667 0.4330127 0.3125545), wk = 0.0026810 k( 241) = ( 0.4111111 0.4426352 0.3125545), wk = 0.0026810 k( 242) = ( 0.4055556 0.4522577 0.3125545), wk = 0.0026810 k( 243) = ( 0.4000000 0.4618802 0.3125545), wk = 0.0026810 k( 244) = ( 0.3944444 0.4715027 0.3125545), wk = 0.0026810 k( 245) = ( 0.3888889 0.4811252 0.3125545), wk = 0.0026810 k( 246) = ( 0.3833333 0.4907477 0.3125545), wk = 0.0026810 k( 247) = ( 0.3777778 0.5003702 0.3125545), wk = 0.0026810 k( 248) = ( 0.3722222 0.5099927 0.3125545), wk = 0.0026810 k( 249) = ( 0.3666667 0.5196152 0.3125545), wk = 0.0026810 k( 250) = ( 0.3611111 0.5292377 0.3125545), wk = 0.0026810 k( 251) = ( 0.3555556 0.5388603 0.3125545), wk = 0.0026810 k( 252) = ( 0.3500000 0.5484828 0.3125545), wk = 0.0026810 k( 253) = ( 0.3444444 0.5581053 0.3125545), wk = 0.0026810 k( 254) = ( 0.3388889 0.5677278 0.3125545), wk = 0.0026810 k( 255) = ( 0.3333333 0.5773503 0.3125545), wk = 0.0026810 k( 256) = ( 0.3333333 0.5773503 0.3125545), wk = 0.0026810 k( 257) = ( 0.3276836 0.5675647 0.3125545), wk = 0.0026810 k( 258) = ( 0.3220339 0.5577791 0.3125545), wk = 0.0026810 k( 259) = ( 0.3163842 0.5479935 0.3125545), wk = 0.0026810 k( 260) = ( 0.3107345 0.5382079 0.3125545), wk = 0.0026810 k( 261) = ( 0.3050848 0.5284223 0.3125545), wk = 0.0026810 k( 262) = ( 0.2994350 0.5186367 0.3125545), wk = 0.0026810 k( 263) = ( 0.2937853 0.5088511 0.3125545), wk = 0.0026810 k( 264) = ( 0.2881356 0.4990655 0.3125545), wk = 0.0026810 k( 265) = ( 0.2824859 0.4892799 0.3125545), wk = 0.0026810 k( 266) = ( 0.2768362 0.4794943 0.3125545), wk = 0.0026810 k( 267) = ( 0.2711864 0.4697087 0.3125545), wk = 0.0026810 k( 268) = ( 0.2655367 0.4599231 0.3125545), wk = 0.0026810 k( 269) = ( 0.2598870 0.4501375 0.3125545), wk = 0.0026810 k( 270) = ( 0.2542373 0.4403519 0.3125545), wk = 0.0026810 k( 271) = ( 0.2485876 0.4305663 0.3125545), wk = 0.0026810 k( 272) = ( 0.2429379 0.4207807 0.3125545), wk = 0.0026810 k( 273) = ( 0.2372881 0.4109951 0.3125545), wk = 0.0026810 k( 274) = ( 0.2316384 0.4012095 0.3125545), wk = 0.0026810 k( 275) = ( 0.2259887 0.3914239 0.3125545), wk = 0.0026810 k( 276) = ( 0.2203390 0.3816383 0.3125545), wk = 0.0026810 k( 277) = ( 0.2146893 0.3718527 0.3125545), wk = 0.0026810 k( 278) = ( 0.2090395 0.3620671 0.3125545), wk = 0.0026810 k( 279) = ( 0.2033898 0.3522815 0.3125545), wk = 0.0026810 k( 280) = ( 0.1977401 0.3424959 0.3125545), wk = 0.0026810 k( 281) = ( 0.1920904 0.3327103 0.3125545), wk = 0.0026810 k( 282) = ( 0.1864407 0.3229247 0.3125545), wk = 0.0026810 k( 283) = ( 0.1807910 0.3131391 0.3125545), wk = 0.0026810 k( 284) = ( 0.1751412 0.3033535 0.3125545), wk = 0.0026810 k( 285) = ( 0.1694915 0.2935679 0.3125545), wk = 0.0026810 k( 286) = ( 0.1638418 0.2837823 0.3125545), wk = 0.0026810 k( 287) = ( 0.1581921 0.2739967 0.3125545), wk = 0.0026810 k( 288) = ( 0.1525424 0.2642111 0.3125545), wk = 0.0026810 k( 289) = ( 0.1468927 0.2544256 0.3125545), wk = 0.0026810 k( 290) = ( 0.1412429 0.2446399 0.3125545), wk = 0.0026810 k( 291) = ( 0.1355932 0.2348543 0.3125545), wk = 0.0026810 k( 292) = ( 0.1299435 0.2250687 0.3125545), wk = 0.0026810 k( 293) = ( 0.1242938 0.2152832 0.3125545), wk = 0.0026810 k( 294) = ( 0.1186441 0.2054976 0.3125545), wk = 0.0026810 k( 295) = ( 0.1129943 0.1957120 0.3125545), wk = 0.0026810 k( 296) = ( 0.1073446 0.1859264 0.3125545), wk = 0.0026810 k( 297) = ( 0.1016949 0.1761408 0.3125545), wk = 0.0026810 k( 298) = ( 0.0960452 0.1663552 0.3125545), wk = 0.0026810 k( 299) = ( 0.0903955 0.1565696 0.3125545), wk = 0.0026810 k( 300) = ( 0.0847458 0.1467840 0.3125545), wk = 0.0026810 k( 301) = ( 0.0790961 0.1369984 0.3125545), wk = 0.0026810 k( 302) = ( 0.0734463 0.1272128 0.3125545), wk = 0.0026810 k( 303) = ( 0.0677966 0.1174272 0.3125545), wk = 0.0026810 k( 304) = ( 0.0621469 0.1076416 0.3125545), wk = 0.0026810 k( 305) = ( 0.0564972 0.0978560 0.3125545), wk = 0.0026810 k( 306) = ( 0.0508475 0.0880704 0.3125545), wk = 0.0026810 k( 307) = ( 0.0451977 0.0782848 0.3125545), wk = 0.0026810 k( 308) = ( 0.0395480 0.0684992 0.3125545), wk = 0.0026810 k( 309) = ( 0.0338983 0.0587136 0.3125545), wk = 0.0026810 k( 310) = ( 0.0282486 0.0489280 0.3125545), wk = 0.0026810 k( 311) = ( 0.0225989 0.0391424 0.3125545), wk = 0.0026810 k( 312) = ( 0.0169491 0.0293568 0.3125545), wk = 0.0026810 k( 313) = ( 0.0112994 0.0195712 0.3125545), wk = 0.0026810 k( 314) = ( 0.0056497 0.0097856 0.3125545), wk = 0.0026810 k( 315) = ( 0.0000000 0.0000000 0.3125545), wk = 0.0026810 k( 316) = ( 0.5000000 0.2886751 0.3125545), wk = 0.0026810 k( 317) = ( 0.5000000 0.2886751 0.3013918), wk = 0.0026810 k( 318) = ( 0.5000000 0.2886751 0.2902292), wk = 0.0026810 k( 319) = ( 0.5000000 0.2886751 0.2790665), wk = 0.0026810 k( 320) = ( 0.5000000 0.2886751 0.2679038), wk = 0.0026810 k( 321) = ( 0.5000000 0.2886751 0.2567412), wk = 0.0026810 k( 322) = ( 0.5000000 0.2886751 0.2455785), wk = 0.0026810 k( 323) = ( 0.5000000 0.2886751 0.2344159), wk = 0.0026810 k( 324) = ( 0.5000000 0.2886751 0.2232532), wk = 0.0026810 k( 325) = ( 0.5000000 0.2886751 0.2120905), wk = 0.0026810 k( 326) = ( 0.5000000 0.2886751 0.2009279), wk = 0.0026810 k( 327) = ( 0.5000000 0.2886751 0.1897652), wk = 0.0026810 k( 328) = ( 0.5000000 0.2886751 0.1786026), wk = 0.0026810 k( 329) = ( 0.5000000 0.2886751 0.1674399), wk = 0.0026810 k( 330) = ( 0.5000000 0.2886751 0.1562772), wk = 0.0026810 k( 331) = ( 0.5000000 0.2886751 0.1451146), wk = 0.0026810 k( 332) = ( 0.5000000 0.2886751 0.1339519), wk = 0.0026810 k( 333) = ( 0.5000000 0.2886751 0.1227893), wk = 0.0026810 k( 334) = ( 0.5000000 0.2886751 0.1116266), wk = 0.0026810 k( 335) = ( 0.5000000 0.2886751 0.1004639), wk = 0.0026810 k( 336) = ( 0.5000000 0.2886751 0.0893013), wk = 0.0026810 k( 337) = ( 0.5000000 0.2886751 0.0781386), wk = 0.0026810 k( 338) = ( 0.5000000 0.2886751 0.0669760), wk = 0.0026810 k( 339) = ( 0.5000000 0.2886751 0.0558133), wk = 0.0026810 k( 340) = ( 0.5000000 0.2886751 0.0446506), wk = 0.0026810 k( 341) = ( 0.5000000 0.2886751 0.0334880), wk = 0.0026810 k( 342) = ( 0.5000000 0.2886751 0.0223253), wk = 0.0026810 k( 343) = ( 0.5000000 0.2886751 0.0111627), wk = 0.0026810 k( 344) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026810 k( 345) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026810 k( 346) = ( 0.3333333 0.5773503 0.0111627), wk = 0.0026810 k( 347) = ( 0.3333333 0.5773503 0.0223253), wk = 0.0026810 k( 348) = ( 0.3333333 0.5773503 0.0334880), wk = 0.0026810 k( 349) = ( 0.3333333 0.5773503 0.0446506), wk = 0.0026810 k( 350) = ( 0.3333333 0.5773503 0.0558133), wk = 0.0026810 k( 351) = ( 0.3333333 0.5773503 0.0669760), wk = 0.0026810 k( 352) = ( 0.3333333 0.5773503 0.0781386), wk = 0.0026810 k( 353) = ( 0.3333333 0.5773503 0.0893013), wk = 0.0026810 k( 354) = ( 0.3333333 0.5773503 0.1004639), wk = 0.0026810 k( 355) = ( 0.3333333 0.5773503 0.1116266), wk = 0.0026810 k( 356) = ( 0.3333333 0.5773503 0.1227893), wk = 0.0026810 k( 357) = ( 0.3333333 0.5773503 0.1339519), wk = 0.0026810 k( 358) = ( 0.3333333 0.5773503 0.1451146), wk = 0.0026810 k( 359) = ( 0.3333333 0.5773503 0.1562772), wk = 0.0026810 k( 360) = ( 0.3333333 0.5773503 0.1674399), wk = 0.0026810 k( 361) = ( 0.3333333 0.5773503 0.1786026), wk = 0.0026810 k( 362) = ( 0.3333333 0.5773503 0.1897652), wk = 0.0026810 k( 363) = ( 0.3333333 0.5773503 0.2009279), wk = 0.0026810 k( 364) = ( 0.3333333 0.5773503 0.2120905), wk = 0.0026810 k( 365) = ( 0.3333333 0.5773503 0.2232532), wk = 0.0026810 k( 366) = ( 0.3333333 0.5773503 0.2344159), wk = 0.0026810 k( 367) = ( 0.3333333 0.5773503 0.2455785), wk = 0.0026810 k( 368) = ( 0.3333333 0.5773503 0.2567412), wk = 0.0026810 k( 369) = ( 0.3333333 0.5773503 0.2679038), wk = 0.0026810 k( 370) = ( 0.3333333 0.5773503 0.2790665), wk = 0.0026810 k( 371) = ( 0.3333333 0.5773503 0.2902292), wk = 0.0026810 k( 372) = ( 0.3333333 0.5773503 0.3013918), wk = 0.0026810 k( 373) = ( 0.3333333 0.5773503 0.3125545), wk = 0.0026810 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026810 k( 2) = ( 0.0098039 -0.0000000 0.0000000), wk = 0.0026810 k( 3) = ( 0.0196078 -0.0000000 0.0000000), wk = 0.0026810 k( 4) = ( 0.0294118 -0.0000000 0.0000000), wk = 0.0026810 k( 5) = ( 0.0392157 -0.0000000 0.0000000), wk = 0.0026810 k( 6) = ( 0.0490196 -0.0000000 0.0000000), wk = 0.0026810 k( 7) = ( 0.0588235 -0.0000000 0.0000000), wk = 0.0026810 k( 8) = ( 0.0686275 -0.0000000 0.0000000), wk = 0.0026810 k( 9) = ( 0.0784314 -0.0000000 0.0000000), wk = 0.0026810 k( 10) = ( 0.0882353 -0.0000000 0.0000000), wk = 0.0026810 k( 11) = ( 0.0980392 -0.0000000 0.0000000), wk = 0.0026810 k( 12) = ( 0.1078431 -0.0000000 -0.0000000), wk = 0.0026810 k( 13) = ( 0.1176471 -0.0000000 0.0000000), wk = 0.0026810 k( 14) = ( 0.1274510 -0.0000000 0.0000000), wk = 0.0026810 k( 15) = ( 0.1372549 -0.0000000 0.0000000), wk = 0.0026810 k( 16) = ( 0.1470588 -0.0000000 0.0000000), wk = 0.0026810 k( 17) = ( 0.1568627 -0.0000000 0.0000000), wk = 0.0026810 k( 18) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0026810 k( 19) = ( 0.1764706 -0.0000000 0.0000000), wk = 0.0026810 k( 20) = ( 0.1862745 -0.0000000 -0.0000000), wk = 0.0026810 k( 21) = ( 0.1960784 -0.0000000 0.0000000), wk = 0.0026810 k( 22) = ( 0.2058823 -0.0000000 0.0000000), wk = 0.0026810 k( 23) = ( 0.2156863 -0.0000000 0.0000000), wk = 0.0026810 k( 24) = ( 0.2254902 -0.0000000 -0.0000000), wk = 0.0026810 k( 25) = ( 0.2352941 -0.0000000 0.0000000), wk = 0.0026810 k( 26) = ( 0.2450980 0.0000000 0.0000000), wk = 0.0026810 k( 27) = ( 0.2549020 -0.0000000 0.0000000), wk = 0.0026810 k( 28) = ( 0.2647059 -0.0000000 -0.0000000), wk = 0.0026810 k( 29) = ( 0.2745098 -0.0000000 0.0000000), wk = 0.0026810 k( 30) = ( 0.2843137 -0.0000000 0.0000000), wk = 0.0026810 k( 31) = ( 0.2941177 -0.0000000 -0.0000000), wk = 0.0026810 k( 32) = ( 0.3039216 -0.0000000 -0.0000000), wk = 0.0026810 k( 33) = ( 0.3137255 -0.0000000 -0.0000000), wk = 0.0026810 k( 34) = ( 0.3235294 -0.0000000 -0.0000000), wk = 0.0026810 k( 35) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0026810 k( 36) = ( 0.3431373 -0.0000000 0.0000000), wk = 0.0026810 k( 37) = ( 0.3529412 -0.0000000 0.0000000), wk = 0.0026810 k( 38) = ( 0.3627451 -0.0000000 0.0000000), wk = 0.0026810 k( 39) = ( 0.3725490 -0.0000000 -0.0000000), wk = 0.0026810 k( 40) = ( 0.3823529 -0.0000000 0.0000000), wk = 0.0026810 k( 41) = ( 0.3921569 -0.0000000 0.0000000), wk = 0.0026810 k( 42) = ( 0.4019608 -0.0000000 0.0000000), wk = 0.0026810 k( 43) = ( 0.4117647 -0.0000000 -0.0000000), wk = 0.0026810 k( 44) = ( 0.4215686 -0.0000000 0.0000000), wk = 0.0026810 k( 45) = ( 0.4313726 -0.0000000 0.0000000), wk = 0.0026810 k( 46) = ( 0.4411765 -0.0000000 -0.0000000), wk = 0.0026810 k( 47) = ( 0.4509804 -0.0000000 0.0000000), wk = 0.0026810 k( 48) = ( 0.4607843 -0.0000000 -0.0000000), wk = 0.0026810 k( 49) = ( 0.4705882 -0.0000000 0.0000000), wk = 0.0026810 k( 50) = ( 0.4803922 -0.0000000 -0.0000000), wk = 0.0026810 k( 51) = ( 0.4901961 0.0000000 0.0000000), wk = 0.0026810 k( 52) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026810 k( 53) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026810 k( 54) = ( 0.4944444 0.0111111 0.0000000), wk = 0.0026810 k( 55) = ( 0.4888889 0.0222222 -0.0000000), wk = 0.0026810 k( 56) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0026810 k( 57) = ( 0.4777778 0.0444444 0.0000000), wk = 0.0026810 k( 58) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0026810 k( 59) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0026810 k( 60) = ( 0.4611111 0.0777778 0.0000000), wk = 0.0026810 k( 61) = ( 0.4555556 0.0888889 -0.0000000), wk = 0.0026810 k( 62) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0026810 k( 63) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0026810 k( 64) = ( 0.4388889 0.1222222 0.0000000), wk = 0.0026810 k( 65) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0026810 k( 66) = ( 0.4277778 0.1444444 0.0000000), wk = 0.0026810 k( 67) = ( 0.4222222 0.1555556 0.0000000), wk = 0.0026810 k( 68) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0026810 k( 69) = ( 0.4111111 0.1777778 -0.0000000), wk = 0.0026810 k( 70) = ( 0.4055556 0.1888889 0.0000000), wk = 0.0026810 k( 71) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0026810 k( 72) = ( 0.3944444 0.2111111 0.0000000), wk = 0.0026810 k( 73) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0026810 k( 74) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0026810 k( 75) = ( 0.3777778 0.2444444 0.0000000), wk = 0.0026810 k( 76) = ( 0.3722222 0.2555556 -0.0000000), wk = 0.0026810 k( 77) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0026810 k( 78) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0026810 k( 79) = ( 0.3555556 0.2888889 0.0000000), wk = 0.0026810 k( 80) = ( 0.3500000 0.3000000 -0.0000000), wk = 0.0026810 k( 81) = ( 0.3444444 0.3111111 0.0000000), wk = 0.0026810 k( 82) = ( 0.3388889 0.3222222 -0.0000000), wk = 0.0026810 k( 83) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026810 k( 84) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026810 k( 85) = ( 0.3276836 0.3276836 0.0000000), wk = 0.0026810 k( 86) = ( 0.3220339 0.3220339 -0.0000000), wk = 0.0026810 k( 87) = ( 0.3163842 0.3163842 -0.0000000), wk = 0.0026810 k( 88) = ( 0.3107345 0.3107345 -0.0000000), wk = 0.0026810 k( 89) = ( 0.3050848 0.3050848 -0.0000000), wk = 0.0026810 k( 90) = ( 0.2994350 0.2994350 0.0000000), wk = 0.0026810 k( 91) = ( 0.2937853 0.2937853 0.0000000), wk = 0.0026810 k( 92) = ( 0.2881356 0.2881356 0.0000000), wk = 0.0026810 k( 93) = ( 0.2824859 0.2824859 0.0000000), wk = 0.0026810 k( 94) = ( 0.2768362 0.2768362 -0.0000000), wk = 0.0026810 k( 95) = ( 0.2711864 0.2711864 -0.0000000), wk = 0.0026810 k( 96) = ( 0.2655367 0.2655367 -0.0000000), wk = 0.0026810 k( 97) = ( 0.2598870 0.2598870 -0.0000000), wk = 0.0026810 k( 98) = ( 0.2542373 0.2542373 -0.0000000), wk = 0.0026810 k( 99) = ( 0.2485876 0.2485876 0.0000000), wk = 0.0026810 k( 100) = ( 0.2429379 0.2429378 -0.0000000), wk = 0.0026810 k( 101) = ( 0.2372881 0.2372881 -0.0000000), wk = 0.0026810 k( 102) = ( 0.2316384 0.2316384 -0.0000000), wk = 0.0026810 k( 103) = ( 0.2259887 0.2259887 0.0000000), wk = 0.0026810 k( 104) = ( 0.2203390 0.2203390 0.0000000), wk = 0.0026810 k( 105) = ( 0.2146893 0.2146893 -0.0000000), wk = 0.0026810 k( 106) = ( 0.2090395 0.2090395 -0.0000000), wk = 0.0026810 k( 107) = ( 0.2033898 0.2033898 0.0000000), wk = 0.0026810 k( 108) = ( 0.1977401 0.1977401 -0.0000000), wk = 0.0026810 k( 109) = ( 0.1920904 0.1920904 -0.0000000), wk = 0.0026810 k( 110) = ( 0.1864407 0.1864407 0.0000000), wk = 0.0026810 k( 111) = ( 0.1807910 0.1807910 -0.0000000), wk = 0.0026810 k( 112) = ( 0.1751412 0.1751412 0.0000000), wk = 0.0026810 k( 113) = ( 0.1694915 0.1694915 0.0000000), wk = 0.0026810 k( 114) = ( 0.1638418 0.1638418 0.0000000), wk = 0.0026810 k( 115) = ( 0.1581921 0.1581921 -0.0000000), wk = 0.0026810 k( 116) = ( 0.1525424 0.1525424 0.0000000), wk = 0.0026810 k( 117) = ( 0.1468927 0.1468927 -0.0000000), wk = 0.0026810 k( 118) = ( 0.1412429 0.1412429 0.0000000), wk = 0.0026810 k( 119) = ( 0.1355932 0.1355932 -0.0000000), wk = 0.0026810 k( 120) = ( 0.1299435 0.1299435 -0.0000000), wk = 0.0026810 k( 121) = ( 0.1242938 0.1242938 -0.0000000), wk = 0.0026810 k( 122) = ( 0.1186441 0.1186441 -0.0000000), wk = 0.0026810 k( 123) = ( 0.1129943 0.1129944 0.0000000), wk = 0.0026810 k( 124) = ( 0.1073446 0.1073446 -0.0000000), wk = 0.0026810 k( 125) = ( 0.1016949 0.1016949 0.0000000), wk = 0.0026810 k( 126) = ( 0.0960452 0.0960452 -0.0000000), wk = 0.0026810 k( 127) = ( 0.0903955 0.0903955 -0.0000000), wk = 0.0026810 k( 128) = ( 0.0847458 0.0847458 0.0000000), wk = 0.0026810 k( 129) = ( 0.0790961 0.0790960 0.0000000), wk = 0.0026810 k( 130) = ( 0.0734463 0.0734463 -0.0000000), wk = 0.0026810 k( 131) = ( 0.0677966 0.0677966 -0.0000000), wk = 0.0026810 k( 132) = ( 0.0621469 0.0621469 -0.0000000), wk = 0.0026810 k( 133) = ( 0.0564972 0.0564972 -0.0000000), wk = 0.0026810 k( 134) = ( 0.0508475 0.0508475 0.0000000), wk = 0.0026810 k( 135) = ( 0.0451977 0.0451977 -0.0000000), wk = 0.0026810 k( 136) = ( 0.0395480 0.0395480 0.0000000), wk = 0.0026810 k( 137) = ( 0.0338983 0.0338983 -0.0000000), wk = 0.0026810 k( 138) = ( 0.0282486 0.0282486 -0.0000000), wk = 0.0026810 k( 139) = ( 0.0225989 0.0225989 -0.0000000), wk = 0.0026810 k( 140) = ( 0.0169491 0.0169491 0.0000000), wk = 0.0026810 k( 141) = ( 0.0112994 0.0112994 -0.0000000), wk = 0.0026810 k( 142) = ( 0.0056497 0.0056497 -0.0000000), wk = 0.0026810 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026810 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026810 k( 145) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0026810 k( 146) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0026810 k( 147) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0026810 k( 148) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0026810 k( 149) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0026810 k( 150) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0026810 k( 151) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0026810 k( 152) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0026810 k( 153) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0026810 k( 154) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0026810 k( 155) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0026810 k( 156) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0026810 k( 157) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0026810 k( 158) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026810 k( 159) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0026810 k( 160) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0026810 k( 161) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0026810 k( 162) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0026810 k( 163) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0026810 k( 164) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0026810 k( 165) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0026810 k( 166) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0026810 k( 167) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0026810 k( 168) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0026810 k( 169) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0026810 k( 170) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0026810 k( 171) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0026810 k( 172) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026810 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026810 k( 174) = ( 0.0098039 -0.0000000 0.5000000), wk = 0.0026810 k( 175) = ( 0.0196078 -0.0000000 0.5000000), wk = 0.0026810 k( 176) = ( 0.0294118 -0.0000000 0.5000000), wk = 0.0026810 k( 177) = ( 0.0392157 -0.0000000 0.5000000), wk = 0.0026810 k( 178) = ( 0.0490196 -0.0000000 0.5000000), wk = 0.0026810 k( 179) = ( 0.0588235 -0.0000000 0.5000000), wk = 0.0026810 k( 180) = ( 0.0686275 -0.0000000 0.5000000), wk = 0.0026810 k( 181) = ( 0.0784314 -0.0000000 0.5000000), wk = 0.0026810 k( 182) = ( 0.0882353 -0.0000000 0.5000000), wk = 0.0026810 k( 183) = ( 0.0980392 -0.0000000 0.5000000), wk = 0.0026810 k( 184) = ( 0.1078431 -0.0000000 0.5000000), wk = 0.0026810 k( 185) = ( 0.1176471 -0.0000000 0.5000000), wk = 0.0026810 k( 186) = ( 0.1274510 -0.0000000 0.5000000), wk = 0.0026810 k( 187) = ( 0.1372549 -0.0000000 0.5000000), wk = 0.0026810 k( 188) = ( 0.1470588 -0.0000000 0.5000000), wk = 0.0026810 k( 189) = ( 0.1568627 -0.0000000 0.5000000), wk = 0.0026810 k( 190) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0026810 k( 191) = ( 0.1764706 -0.0000000 0.5000000), wk = 0.0026810 k( 192) = ( 0.1862745 -0.0000000 0.5000000), wk = 0.0026810 k( 193) = ( 0.1960784 -0.0000000 0.5000000), wk = 0.0026810 k( 194) = ( 0.2058823 -0.0000000 0.5000000), wk = 0.0026810 k( 195) = ( 0.2156863 -0.0000000 0.5000000), wk = 0.0026810 k( 196) = ( 0.2254902 -0.0000000 0.5000000), wk = 0.0026810 k( 197) = ( 0.2352941 -0.0000000 0.5000000), wk = 0.0026810 k( 198) = ( 0.2450980 0.0000000 0.5000000), wk = 0.0026810 k( 199) = ( 0.2549020 -0.0000000 0.5000000), wk = 0.0026810 k( 200) = ( 0.2647059 -0.0000000 0.5000000), wk = 0.0026810 k( 201) = ( 0.2745098 -0.0000000 0.5000000), wk = 0.0026810 k( 202) = ( 0.2843137 -0.0000000 0.5000000), wk = 0.0026810 k( 203) = ( 0.2941177 -0.0000000 0.5000000), wk = 0.0026810 k( 204) = ( 0.3039216 -0.0000000 0.5000000), wk = 0.0026810 k( 205) = ( 0.3137255 -0.0000000 0.5000000), wk = 0.0026810 k( 206) = ( 0.3235294 -0.0000000 0.5000000), wk = 0.0026810 k( 207) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0026810 k( 208) = ( 0.3431373 -0.0000000 0.5000000), wk = 0.0026810 k( 209) = ( 0.3529412 -0.0000000 0.5000000), wk = 0.0026810 k( 210) = ( 0.3627451 -0.0000000 0.5000000), wk = 0.0026810 k( 211) = ( 0.3725490 -0.0000000 0.5000000), wk = 0.0026810 k( 212) = ( 0.3823529 -0.0000000 0.5000000), wk = 0.0026810 k( 213) = ( 0.3921569 -0.0000000 0.5000000), wk = 0.0026810 k( 214) = ( 0.4019608 -0.0000000 0.5000000), wk = 0.0026810 k( 215) = ( 0.4117647 -0.0000000 0.5000000), wk = 0.0026810 k( 216) = ( 0.4215686 -0.0000000 0.5000000), wk = 0.0026810 k( 217) = ( 0.4313726 -0.0000000 0.5000000), wk = 0.0026810 k( 218) = ( 0.4411765 -0.0000000 0.5000000), wk = 0.0026810 k( 219) = ( 0.4509804 -0.0000000 0.5000000), wk = 0.0026810 k( 220) = ( 0.4607843 -0.0000000 0.5000000), wk = 0.0026810 k( 221) = ( 0.4705882 -0.0000000 0.5000000), wk = 0.0026810 k( 222) = ( 0.4803922 -0.0000000 0.5000000), wk = 0.0026810 k( 223) = ( 0.4901961 0.0000000 0.5000000), wk = 0.0026810 k( 224) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0026810 k( 225) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0026810 k( 226) = ( 0.4944444 0.0111111 0.5000000), wk = 0.0026810 k( 227) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0026810 k( 228) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0026810 k( 229) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0026810 k( 230) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0026810 k( 231) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0026810 k( 232) = ( 0.4611111 0.0777778 0.5000000), wk = 0.0026810 k( 233) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0026810 k( 234) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0026810 k( 235) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0026810 k( 236) = ( 0.4388889 0.1222222 0.5000000), wk = 0.0026810 k( 237) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0026810 k( 238) = ( 0.4277778 0.1444444 0.5000000), wk = 0.0026810 k( 239) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0026810 k( 240) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0026810 k( 241) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0026810 k( 242) = ( 0.4055556 0.1888889 0.5000000), wk = 0.0026810 k( 243) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0026810 k( 244) = ( 0.3944444 0.2111111 0.5000000), wk = 0.0026810 k( 245) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0026810 k( 246) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0026810 k( 247) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0026810 k( 248) = ( 0.3722222 0.2555556 0.5000000), wk = 0.0026810 k( 249) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0026810 k( 250) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0026810 k( 251) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0026810 k( 252) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0026810 k( 253) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0026810 k( 254) = ( 0.3388889 0.3222222 0.5000000), wk = 0.0026810 k( 255) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026810 k( 256) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026810 k( 257) = ( 0.3276836 0.3276836 0.5000000), wk = 0.0026810 k( 258) = ( 0.3220339 0.3220339 0.5000000), wk = 0.0026810 k( 259) = ( 0.3163842 0.3163842 0.5000000), wk = 0.0026810 k( 260) = ( 0.3107345 0.3107345 0.5000000), wk = 0.0026810 k( 261) = ( 0.3050848 0.3050848 0.5000000), wk = 0.0026810 k( 262) = ( 0.2994350 0.2994350 0.5000000), wk = 0.0026810 k( 263) = ( 0.2937853 0.2937853 0.5000000), wk = 0.0026810 k( 264) = ( 0.2881356 0.2881356 0.5000000), wk = 0.0026810 k( 265) = ( 0.2824859 0.2824859 0.5000000), wk = 0.0026810 k( 266) = ( 0.2768362 0.2768362 0.5000000), wk = 0.0026810 k( 267) = ( 0.2711864 0.2711864 0.5000000), wk = 0.0026810 k( 268) = ( 0.2655367 0.2655367 0.5000000), wk = 0.0026810 k( 269) = ( 0.2598870 0.2598870 0.5000000), wk = 0.0026810 k( 270) = ( 0.2542373 0.2542373 0.5000000), wk = 0.0026810 k( 271) = ( 0.2485876 0.2485876 0.5000000), wk = 0.0026810 k( 272) = ( 0.2429379 0.2429378 0.5000000), wk = 0.0026810 k( 273) = ( 0.2372881 0.2372881 0.5000000), wk = 0.0026810 k( 274) = ( 0.2316384 0.2316384 0.5000000), wk = 0.0026810 k( 275) = ( 0.2259887 0.2259887 0.5000000), wk = 0.0026810 k( 276) = ( 0.2203390 0.2203390 0.5000000), wk = 0.0026810 k( 277) = ( 0.2146893 0.2146893 0.5000000), wk = 0.0026810 k( 278) = ( 0.2090395 0.2090395 0.5000000), wk = 0.0026810 k( 279) = ( 0.2033898 0.2033898 0.5000000), wk = 0.0026810 k( 280) = ( 0.1977401 0.1977401 0.5000000), wk = 0.0026810 k( 281) = ( 0.1920904 0.1920904 0.5000000), wk = 0.0026810 k( 282) = ( 0.1864407 0.1864407 0.5000000), wk = 0.0026810 k( 283) = ( 0.1807910 0.1807910 0.5000000), wk = 0.0026810 k( 284) = ( 0.1751412 0.1751412 0.5000000), wk = 0.0026810 k( 285) = ( 0.1694915 0.1694915 0.5000000), wk = 0.0026810 k( 286) = ( 0.1638418 0.1638418 0.5000000), wk = 0.0026810 k( 287) = ( 0.1581921 0.1581921 0.5000000), wk = 0.0026810 k( 288) = ( 0.1525424 0.1525424 0.5000000), wk = 0.0026810 k( 289) = ( 0.1468927 0.1468927 0.5000000), wk = 0.0026810 k( 290) = ( 0.1412429 0.1412429 0.5000000), wk = 0.0026810 k( 291) = ( 0.1355932 0.1355932 0.5000000), wk = 0.0026810 k( 292) = ( 0.1299435 0.1299435 0.5000000), wk = 0.0026810 k( 293) = ( 0.1242938 0.1242938 0.5000000), wk = 0.0026810 k( 294) = ( 0.1186441 0.1186441 0.5000000), wk = 0.0026810 k( 295) = ( 0.1129943 0.1129944 0.5000000), wk = 0.0026810 k( 296) = ( 0.1073446 0.1073446 0.5000000), wk = 0.0026810 k( 297) = ( 0.1016949 0.1016949 0.5000000), wk = 0.0026810 k( 298) = ( 0.0960452 0.0960452 0.5000000), wk = 0.0026810 k( 299) = ( 0.0903955 0.0903955 0.5000000), wk = 0.0026810 k( 300) = ( 0.0847458 0.0847458 0.5000000), wk = 0.0026810 k( 301) = ( 0.0790961 0.0790960 0.5000000), wk = 0.0026810 k( 302) = ( 0.0734463 0.0734463 0.5000000), wk = 0.0026810 k( 303) = ( 0.0677966 0.0677966 0.5000000), wk = 0.0026810 k( 304) = ( 0.0621469 0.0621469 0.5000000), wk = 0.0026810 k( 305) = ( 0.0564972 0.0564972 0.5000000), wk = 0.0026810 k( 306) = ( 0.0508475 0.0508475 0.5000000), wk = 0.0026810 k( 307) = ( 0.0451977 0.0451977 0.5000000), wk = 0.0026810 k( 308) = ( 0.0395480 0.0395480 0.5000000), wk = 0.0026810 k( 309) = ( 0.0338983 0.0338983 0.5000000), wk = 0.0026810 k( 310) = ( 0.0282486 0.0282486 0.5000000), wk = 0.0026810 k( 311) = ( 0.0225989 0.0225989 0.5000000), wk = 0.0026810 k( 312) = ( 0.0169491 0.0169491 0.5000000), wk = 0.0026810 k( 313) = ( 0.0112994 0.0112994 0.5000000), wk = 0.0026810 k( 314) = ( 0.0056497 0.0056497 0.5000000), wk = 0.0026810 k( 315) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026810 k( 316) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0026810 k( 317) = ( 0.5000000 -0.0000000 0.4821429), wk = 0.0026810 k( 318) = ( 0.5000000 -0.0000000 0.4642857), wk = 0.0026810 k( 319) = ( 0.5000000 -0.0000000 0.4464286), wk = 0.0026810 k( 320) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0026810 k( 321) = ( 0.5000000 -0.0000000 0.4107143), wk = 0.0026810 k( 322) = ( 0.5000000 -0.0000000 0.3928571), wk = 0.0026810 k( 323) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0026810 k( 324) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0026810 k( 325) = ( 0.5000000 -0.0000000 0.3392857), wk = 0.0026810 k( 326) = ( 0.5000000 -0.0000000 0.3214286), wk = 0.0026810 k( 327) = ( 0.5000000 -0.0000000 0.3035714), wk = 0.0026810 k( 328) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0026810 k( 329) = ( 0.5000000 -0.0000000 0.2678571), wk = 0.0026810 k( 330) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0026810 k( 331) = ( 0.5000000 -0.0000000 0.2321429), wk = 0.0026810 k( 332) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0026810 k( 333) = ( 0.5000000 -0.0000000 0.1964286), wk = 0.0026810 k( 334) = ( 0.5000000 -0.0000000 0.1785714), wk = 0.0026810 k( 335) = ( 0.5000000 -0.0000000 0.1607143), wk = 0.0026810 k( 336) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0026810 k( 337) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0026810 k( 338) = ( 0.5000000 -0.0000000 0.1071429), wk = 0.0026810 k( 339) = ( 0.5000000 -0.0000000 0.0892857), wk = 0.0026810 k( 340) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0026810 k( 341) = ( 0.5000000 -0.0000000 0.0535714), wk = 0.0026810 k( 342) = ( 0.5000000 -0.0000000 0.0357143), wk = 0.0026810 k( 343) = ( 0.5000000 -0.0000000 0.0178571), wk = 0.0026810 k( 344) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026810 k( 345) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026810 k( 346) = ( 0.3333333 0.3333333 0.0178571), wk = 0.0026810 k( 347) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0026810 k( 348) = ( 0.3333333 0.3333333 0.0535714), wk = 0.0026810 k( 349) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0026810 k( 350) = ( 0.3333333 0.3333333 0.0892857), wk = 0.0026810 k( 351) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0026810 k( 352) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0026810 k( 353) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0026810 k( 354) = ( 0.3333333 0.3333333 0.1607143), wk = 0.0026810 k( 355) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0026810 k( 356) = ( 0.3333333 0.3333333 0.1964286), wk = 0.0026810 k( 357) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0026810 k( 358) = ( 0.3333333 0.3333333 0.2321429), wk = 0.0026810 k( 359) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0026810 k( 360) = ( 0.3333333 0.3333333 0.2678571), wk = 0.0026810 k( 361) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0026810 k( 362) = ( 0.3333333 0.3333333 0.3035714), wk = 0.0026810 k( 363) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0026810 k( 364) = ( 0.3333333 0.3333333 0.3392857), wk = 0.0026810 k( 365) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0026810 k( 366) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0026810 k( 367) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0026810 k( 368) = ( 0.3333333 0.3333333 0.4107143), wk = 0.0026810 k( 369) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0026810 k( 370) = ( 0.3333333 0.3333333 0.4464286), wk = 0.0026810 k( 371) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0026810 k( 372) = ( 0.3333333 0.3333333 0.4821429), wk = 0.0026810 k( 373) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026810 Dense grid: 26753 G-vectors FFT dimensions: ( 36, 36, 54) Smooth grid: 18185 G-vectors FFT dimensions: ( 30, 30, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 130, 30) NL pseudopotentials 0.10 Mb ( 65, 102) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 747) G-vector shells 0.00 Mb ( 384) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.24 Mb ( 130, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.09 Mb ( 102, 2, 30) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./FeCl2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 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 2.4 secs Computing kpt #: 5 total cpu time spent up to now is 2.6 secs Computing kpt #: 6 total cpu time spent up to now is 2.7 secs Computing kpt #: 7 total cpu time spent up to now is 2.8 secs Computing kpt #: 8 total cpu time spent up to now is 2.9 secs Computing kpt #: 9 total cpu time spent up to now is 3.1 secs Computing kpt #: 10 total cpu time spent up to now is 3.2 secs Computing kpt #: 11 total cpu time spent up to now is 3.3 secs Computing kpt #: 12 total cpu time spent up to now is 3.5 secs Computing kpt #: 13 total cpu time spent up to now is 3.6 secs Computing kpt #: 14 total cpu time spent up to now is 3.7 secs Computing kpt #: 15 total cpu time spent up to now is 3.9 secs Computing kpt #: 16 total cpu time spent up to now is 4.0 secs Computing kpt #: 17 total cpu time spent up to now is 4.2 secs Computing kpt #: 18 total cpu time spent up to now is 4.3 secs Computing kpt #: 19 total cpu time spent up to now is 4.5 secs Computing kpt #: 20 total cpu time spent up to now is 4.6 secs Computing kpt #: 21 total cpu time spent up to now is 4.8 secs Computing kpt #: 22 total cpu time spent up to now is 4.9 secs Computing kpt #: 23 total cpu time spent up to now is 5.1 secs Computing kpt #: 24 total cpu time spent up to now is 5.2 secs Computing kpt #: 25 total cpu time spent up to now is 5.4 secs Computing kpt #: 26 total cpu time spent up to now is 5.6 secs Computing kpt #: 27 total cpu time spent up to now is 5.7 secs Computing kpt #: 28 total cpu time spent up to now is 5.9 secs Computing kpt #: 29 total cpu time spent up to now is 6.0 secs Computing kpt #: 30 total cpu time spent up to now is 6.2 secs Computing kpt #: 31 total cpu time spent up to now is 6.3 secs Computing kpt #: 32 total cpu time spent up to now is 6.5 secs Computing kpt #: 33 total cpu time spent up to now is 6.6 secs Computing kpt #: 34 total cpu time spent up to now is 6.8 secs Computing kpt #: 35 total cpu time spent up to now is 6.9 secs Computing kpt #: 36 total cpu time spent up to now is 7.1 secs Computing kpt #: 37 total cpu time spent up to now is 7.2 secs Computing kpt #: 38 total cpu time spent up to now is 7.4 secs Computing kpt #: 39 total cpu time spent up to now is 7.5 secs Computing kpt #: 40 total cpu time spent up to now is 7.7 secs Computing kpt #: 41 total cpu time spent up to now is 7.8 secs Computing kpt #: 42 total cpu time spent up to now is 8.0 secs Computing kpt #: 43 total cpu time spent up to now is 8.1 secs Computing kpt #: 44 total cpu time spent up to now is 8.3 secs Computing kpt #: 45 total cpu time spent up to now is 8.4 secs Computing kpt #: 46 total cpu time spent up to now is 8.6 secs Computing kpt #: 47 total cpu time spent up to now is 8.7 secs Computing kpt #: 48 total cpu time spent up to now is 8.9 secs Computing kpt #: 49 total cpu time spent up to now is 9.1 secs Computing kpt #: 50 total cpu time spent up to now is 9.2 secs Computing kpt #: 51 total cpu time spent up to now is 9.4 secs Computing kpt #: 52 total cpu time spent up to now is 9.5 secs Computing kpt #: 53 total cpu time spent up to now is 9.6 secs Computing kpt #: 54 total cpu time spent up to now is 9.8 secs Computing kpt #: 55 total cpu time spent up to now is 9.9 secs Computing kpt #: 56 total cpu time spent up to now is 10.1 secs Computing kpt #: 57 total cpu time spent up to now is 10.2 secs Computing kpt #: 58 total cpu time spent up to now is 10.4 secs Computing kpt #: 59 total cpu time spent up to now is 10.5 secs Computing kpt #: 60 total cpu time spent up to now is 10.6 secs Computing kpt #: 61 total cpu time spent up to now is 10.8 secs Computing kpt #: 62 total cpu time spent up to now is 10.9 secs Computing kpt #: 63 total cpu time spent up to now is 11.1 secs Computing kpt #: 64 total cpu time spent up to now is 11.3 secs Computing kpt #: 65 total cpu time spent up to now is 11.4 secs Computing kpt #: 66 total cpu time spent up to now is 11.6 secs Computing kpt #: 67 total cpu time spent up to now is 11.7 secs Computing kpt #: 68 total cpu time spent up to now is 11.9 secs Computing kpt #: 69 total cpu time spent up to now is 12.1 secs Computing kpt #: 70 total cpu time spent up to now is 12.2 secs Computing kpt #: 71 total cpu time spent up to now is 12.4 secs Computing kpt #: 72 total cpu time spent up to now is 12.6 secs Computing kpt #: 73 total cpu time spent up to now is 12.7 secs Computing kpt #: 74 total cpu time spent up to now is 12.9 secs Computing kpt #: 75 total cpu time spent up to now is 13.1 secs Computing kpt #: 76 total cpu time spent up to now is 13.3 secs Computing kpt #: 77 total cpu time spent up to now is 13.5 secs Computing kpt #: 78 total cpu time spent up to now is 13.7 secs Computing kpt #: 79 total cpu time spent up to now is 13.9 secs Computing kpt #: 80 total cpu time spent up to now is 14.2 secs Computing kpt #: 81 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 14.8 secs Computing kpt #: 82 total cpu time spent up to now is 15.3 secs Computing kpt #: 83 total cpu time spent up to now is 15.5 secs Computing kpt #: 84 total cpu time spent up to now is 15.8 secs Computing kpt #: 85 total cpu time spent up to now is 16.1 secs Computing kpt #: 86 total cpu time spent up to now is 16.3 secs Computing kpt #: 87 total cpu time spent up to now is 16.6 secs Computing kpt #: 88 total cpu time spent up to now is 16.8 secs Computing kpt #: 89 total cpu time spent up to now is 17.0 secs Computing kpt #: 90 total cpu time spent up to now is 17.3 secs Computing kpt #: 91 total cpu time spent up to now is 17.5 secs Computing kpt #: 92 total cpu time spent up to now is 17.7 secs Computing kpt #: 93 total cpu time spent up to now is 17.8 secs Computing kpt #: 94 total cpu time spent up to now is 18.0 secs Computing kpt #: 95 total cpu time spent up to now is 18.2 secs Computing kpt #: 96 total cpu time spent up to now is 18.3 secs Computing kpt #: 97 total cpu time spent up to now is 18.5 secs Computing kpt #: 98 total cpu time spent up to now is 18.7 secs Computing kpt #: 99 total cpu time spent up to now is 18.8 secs Computing kpt #: 100 total cpu time spent up to now is 19.0 secs Computing kpt #: 101 total cpu time spent up to now is 19.1 secs Computing kpt #: 102 total cpu time spent up to now is 19.3 secs Computing kpt #: 103 total cpu time spent up to now is 19.4 secs Computing kpt #: 104 total cpu time spent up to now is 19.6 secs Computing kpt #: 105 total cpu time spent up to now is 19.7 secs Computing kpt #: 106 total cpu time spent up to now is 19.9 secs Computing kpt #: 107 total cpu time spent up to now is 20.0 secs Computing kpt #: 108 total cpu time spent up to now is 20.2 secs Computing kpt #: 109 total cpu time spent up to now is 20.4 secs Computing kpt #: 110 total cpu time spent up to now is 20.5 secs Computing kpt #: 111 total cpu time spent up to now is 20.7 secs Computing kpt #: 112 total cpu time spent up to now is 20.8 secs Computing kpt #: 113 total cpu time spent up to now is 21.0 secs Computing kpt #: 114 total cpu time spent up to now is 21.2 secs Computing kpt #: 115 total cpu time spent up to now is 21.4 secs Computing kpt #: 116 total cpu time spent up to now is 21.6 secs Computing kpt #: 117 total cpu time spent up to now is 21.9 secs Computing kpt #: 118 total cpu time spent up to now is 22.1 secs Computing kpt #: 119 total cpu time spent up to now is 22.3 secs Computing kpt #: 120 total cpu time spent up to now is 22.4 secs Computing kpt #: 121 total cpu time spent up to now is 22.6 secs Computing kpt #: 122 total cpu time spent up to now is 22.7 secs Computing kpt #: 123 total cpu time spent up to now is 22.9 secs Computing kpt #: 124 total cpu time spent up to now is 23.0 secs Computing kpt #: 125 total cpu time spent up to now is 23.2 secs Computing kpt #: 126 total cpu time spent up to now is 23.3 secs Computing kpt #: 127 total cpu time spent up to now is 23.5 secs Computing kpt #: 128 total cpu time spent up to now is 23.6 secs Computing kpt #: 129 total cpu time spent up to now is 23.7 secs Computing kpt #: 130 total cpu time spent up to now is 23.9 secs Computing kpt #: 131 total cpu time spent up to now is 24.0 secs Computing kpt #: 132 total cpu time spent up to now is 24.2 secs Computing kpt #: 133 total cpu time spent up to now is 24.3 secs Computing kpt #: 134 total cpu time spent up to now is 24.4 secs Computing kpt #: 135 total cpu time spent up to now is 24.6 secs Computing kpt #: 136 total cpu time spent up to now is 24.7 secs Computing kpt #: 137 total cpu time spent up to now is 24.8 secs Computing kpt #: 138 total cpu time spent up to now is 25.0 secs Computing kpt #: 139 total cpu time spent up to now is 25.1 secs Computing kpt #: 140 total cpu time spent up to now is 25.2 secs Computing kpt #: 141 total cpu time spent up to now is 25.3 secs Computing kpt #: 142 total cpu time spent up to now is 25.5 secs Computing kpt #: 143 total cpu time spent up to now is 25.6 secs Computing kpt #: 144 total cpu time spent up to now is 25.7 secs Computing kpt #: 145 total cpu time spent up to now is 25.9 secs Computing kpt #: 146 total cpu time spent up to now is 26.0 secs Computing kpt #: 147 total cpu time spent up to now is 26.1 secs Computing kpt #: 148 total cpu time spent up to now is 26.2 secs Computing kpt #: 149 total cpu time spent up to now is 26.4 secs Computing kpt #: 150 total cpu time spent up to now is 26.5 secs Computing kpt #: 151 total cpu time spent up to now is 26.6 secs Computing kpt #: 152 total cpu time spent up to now is 26.8 secs Computing kpt #: 153 total cpu time spent up to now is 26.9 secs Computing kpt #: 154 total cpu time spent up to now is 27.0 secs Computing kpt #: 155 total cpu time spent up to now is 27.1 secs Computing kpt #: 156 total cpu time spent up to now is 27.3 secs Computing kpt #: 157 total cpu time spent up to now is 27.4 secs Computing kpt #: 158 total cpu time spent up to now is 27.5 secs Computing kpt #: 159 total cpu time spent up to now is 27.7 secs Computing kpt #: 160 total cpu time spent up to now is 27.8 secs Computing kpt #: 161 total cpu time spent up to now is 27.9 secs Computing kpt #: 162 total cpu time spent up to now is 28.1 secs Computing kpt #: 163 total cpu time spent up to now is 28.2 secs Computing kpt #: 164 total cpu time spent up to now is 28.3 secs Computing kpt #: 165 total cpu time spent up to now is 28.5 secs Computing kpt #: 166 total cpu time spent up to now is 28.6 secs Computing kpt #: 167 total cpu time spent up to now is 28.7 secs Computing kpt #: 168 total cpu time spent up to now is 28.9 secs Computing kpt #: 169 total cpu time spent up to now is 29.0 secs Computing kpt #: 170 total cpu time spent up to now is 29.1 secs Computing kpt #: 171 total cpu time spent up to now is 29.3 secs Computing kpt #: 172 total cpu time spent up to now is 29.4 secs Computing kpt #: 173 total cpu time spent up to now is 29.5 secs Computing kpt #: 174 total cpu time spent up to now is 29.7 secs Computing kpt #: 175 total cpu time spent up to now is 29.8 secs Computing kpt #: 176 total cpu time spent up to now is 29.9 secs Computing kpt #: 177 total cpu time spent up to now is 30.1 secs Computing kpt #: 178 total cpu time spent up to now is 30.2 secs Computing kpt #: 179 total cpu time spent up to now is 30.3 secs Computing kpt #: 180 total cpu time spent up to now is 30.5 secs Computing kpt #: 181 total cpu time spent up to now is 30.6 secs Computing kpt #: 182 total cpu time spent up to now is 30.7 secs Computing kpt #: 183 total cpu time spent up to now is 30.9 secs Computing kpt #: 184 total cpu time spent up to now is 31.0 secs Computing kpt #: 185 total cpu time spent up to now is 31.1 secs Computing kpt #: 186 total cpu time spent up to now is 31.3 secs Computing kpt #: 187 total cpu time spent up to now is 31.4 secs Computing kpt #: 188 total cpu time spent up to now is 31.6 secs Computing kpt #: 189 total cpu time spent up to now is 31.7 secs Computing kpt #: 190 total cpu time spent up to now is 31.9 secs Computing kpt #: 191 total cpu time spent up to now is 32.0 secs Computing kpt #: 192 total cpu time spent up to now is 32.2 secs Computing kpt #: 193 total cpu time spent up to now is 32.3 secs Computing kpt #: 194 total cpu time spent up to now is 32.5 secs Computing kpt #: 195 total cpu time spent up to now is 32.6 secs Computing kpt #: 196 total cpu time spent up to now is 32.8 secs Computing kpt #: 197 total cpu time spent up to now is 32.9 secs Computing kpt #: 198 total cpu time spent up to now is 33.1 secs Computing kpt #: 199 total cpu time spent up to now is 33.2 secs Computing kpt #: 200 total cpu time spent up to now is 33.4 secs Computing kpt #: 201 total cpu time spent up to now is 33.5 secs Computing kpt #: 202 total cpu time spent up to now is 33.7 secs Computing kpt #: 203 total cpu time spent up to now is 33.8 secs Computing kpt #: 204 total cpu time spent up to now is 34.0 secs Computing kpt #: 205 total cpu time spent up to now is 34.1 secs Computing kpt #: 206 total cpu time spent up to now is 34.3 secs Computing kpt #: 207 total cpu time spent up to now is 34.4 secs Computing kpt #: 208 total cpu time spent up to now is 34.6 secs Computing kpt #: 209 total cpu time spent up to now is 34.7 secs Computing kpt #: 210 total cpu time spent up to now is 34.9 secs Computing kpt #: 211 total cpu time spent up to now is 35.0 secs Computing kpt #: 212 total cpu time spent up to now is 35.2 secs Computing kpt #: 213 total cpu time spent up to now is 35.3 secs Computing kpt #: 214 total cpu time spent up to now is 35.5 secs Computing kpt #: 215 total cpu time spent up to now is 35.6 secs Computing kpt #: 216 total cpu time spent up to now is 35.7 secs Computing kpt #: 217 total cpu time spent up to now is 35.9 secs Computing kpt #: 218 total cpu time spent up to now is 36.0 secs Computing kpt #: 219 total cpu time spent up to now is 36.2 secs Computing kpt #: 220 total cpu time spent up to now is 36.3 secs Computing kpt #: 221 total cpu time spent up to now is 36.4 secs Computing kpt #: 222 total cpu time spent up to now is 36.6 secs Computing kpt #: 223 total cpu time spent up to now is 36.7 secs Computing kpt #: 224 total cpu time spent up to now is 36.9 secs Computing kpt #: 225 total cpu time spent up to now is 37.0 secs Computing kpt #: 226 total cpu time spent up to now is 37.1 secs Computing kpt #: 227 total cpu time spent up to now is 37.3 secs Computing kpt #: 228 total cpu time spent up to now is 37.4 secs Computing kpt #: 229 total cpu time spent up to now is 37.6 secs Computing kpt #: 230 total cpu time spent up to now is 37.7 secs Computing kpt #: 231 total cpu time spent up to now is 37.8 secs Computing kpt #: 232 total cpu time spent up to now is 38.0 secs Computing kpt #: 233 total cpu time spent up to now is 38.1 secs Computing kpt #: 234 total cpu time spent up to now is 38.3 secs Computing kpt #: 235 total cpu time spent up to now is 38.4 secs Computing kpt #: 236 total cpu time spent up to now is 38.6 secs Computing kpt #: 237 total cpu time spent up to now is 38.7 secs Computing kpt #: 238 total cpu time spent up to now is 38.9 secs Computing kpt #: 239 total cpu time spent up to now is 39.0 secs Computing kpt #: 240 total cpu time spent up to now is 39.2 secs Computing kpt #: 241 total cpu time spent up to now is 39.3 secs Computing kpt #: 242 total cpu time spent up to now is 39.5 secs Computing kpt #: 243 total cpu time spent up to now is 39.6 secs Computing kpt #: 244 total cpu time spent up to now is 39.8 secs Computing kpt #: 245 total cpu time spent up to now is 39.9 secs Computing kpt #: 246 total cpu time spent up to now is 40.1 secs Computing kpt #: 247 total cpu time spent up to now is 40.3 secs Computing kpt #: 248 total cpu time spent up to now is 40.4 secs Computing kpt #: 249 total cpu time spent up to now is 40.6 secs Computing kpt #: 250 total cpu time spent up to now is 40.7 secs Computing kpt #: 251 total cpu time spent up to now is 40.9 secs Computing kpt #: 252 total cpu time spent up to now is 41.1 secs Computing kpt #: 253 total cpu time spent up to now is 41.2 secs Computing kpt #: 254 total cpu time spent up to now is 41.4 secs Computing kpt #: 255 total cpu time spent up to now is 41.6 secs Computing kpt #: 256 total cpu time spent up to now is 41.8 secs Computing kpt #: 257 total cpu time spent up to now is 42.0 secs Computing kpt #: 258 total cpu time spent up to now is 42.2 secs Computing kpt #: 259 total cpu time spent up to now is 42.4 secs Computing kpt #: 260 total cpu time spent up to now is 42.6 secs Computing kpt #: 261 total cpu time spent up to now is 42.8 secs Computing kpt #: 262 total cpu time spent up to now is 43.1 secs Computing kpt #: 263 total cpu time spent up to now is 43.3 secs Computing kpt #: 264 total cpu time spent up to now is 43.5 secs Computing kpt #: 265 total cpu time spent up to now is 43.7 secs Computing kpt #: 266 total cpu time spent up to now is 43.9 secs Computing kpt #: 267 total cpu time spent up to now is 44.4 secs Computing kpt #: 268 total cpu time spent up to now is 44.6 secs Computing kpt #: 269 total cpu time spent up to now is 44.8 secs Computing kpt #: 270 total cpu time spent up to now is 45.0 secs Computing kpt #: 271 total cpu time spent up to now is 45.2 secs Computing kpt #: 272 total cpu time spent up to now is 45.3 secs Computing kpt #: 273 total cpu time spent up to now is 45.5 secs Computing kpt #: 274 total cpu time spent up to now is 45.6 secs Computing kpt #: 275 total cpu time spent up to now is 45.8 secs Computing kpt #: 276 total cpu time spent up to now is 46.0 secs Computing kpt #: 277 total cpu time spent up to now is 46.1 secs Computing kpt #: 278 total cpu time spent up to now is 46.3 secs Computing kpt #: 279 total cpu time spent up to now is 46.4 secs Computing kpt #: 280 total cpu time spent up to now is 46.6 secs Computing kpt #: 281 total cpu time spent up to now is 46.8 secs Computing kpt #: 282 total cpu time spent up to now is 46.9 secs Computing kpt #: 283 total cpu time spent up to now is 47.1 secs Computing kpt #: 284 total cpu time spent up to now is 47.2 secs Computing kpt #: 285 total cpu time spent up to now is 47.4 secs Computing kpt #: 286 total cpu time spent up to now is 47.5 secs Computing kpt #: 287 total cpu time spent up to now is 47.7 secs Computing kpt #: 288 total cpu time spent up to now is 47.9 secs Computing kpt #: 289 total cpu time spent up to now is 48.0 secs Computing kpt #: 290 total cpu time spent up to now is 48.2 secs Computing kpt #: 291 total cpu time spent up to now is 48.3 secs Computing kpt #: 292 total cpu time spent up to now is 48.5 secs Computing kpt #: 293 total cpu time spent up to now is 48.6 secs Computing kpt #: 294 total cpu time spent up to now is 48.8 secs Computing kpt #: 295 total cpu time spent up to now is 48.9 secs Computing kpt #: 296 total cpu time spent up to now is 49.1 secs Computing kpt #: 297 total cpu time spent up to now is 49.2 secs Computing kpt #: 298 total cpu time spent up to now is 49.3 secs Computing kpt #: 299 total cpu time spent up to now is 49.5 secs Computing kpt #: 300 total cpu time spent up to now is 49.6 secs Computing kpt #: 301 total cpu time spent up to now is 49.8 secs Computing kpt #: 302 total cpu time spent up to now is 49.9 secs Computing kpt #: 303 total cpu time spent up to now is 50.1 secs Computing kpt #: 304 total cpu time spent up to now is 50.2 secs Computing kpt #: 305 total cpu time spent up to now is 50.3 secs Computing kpt #: 306 total cpu time spent up to now is 50.5 secs Computing kpt #: 307 total cpu time spent up to now is 50.6 secs Computing kpt #: 308 total cpu time spent up to now is 50.7 secs Computing kpt #: 309 total cpu time spent up to now is 50.9 secs Computing kpt #: 310 total cpu time spent up to now is 51.0 secs Computing kpt #: 311 total cpu time spent up to now is 51.1 secs Computing kpt #: 312 total cpu time spent up to now is 51.3 secs Computing kpt #: 313 total cpu time spent up to now is 51.4 secs Computing kpt #: 314 total cpu time spent up to now is 51.5 secs Computing kpt #: 315 total cpu time spent up to now is 51.7 secs Computing kpt #: 316 total cpu time spent up to now is 51.8 secs Computing kpt #: 317 total cpu time spent up to now is 51.9 secs Computing kpt #: 318 total cpu time spent up to now is 52.1 secs Computing kpt #: 319 total cpu time spent up to now is 52.2 secs Computing kpt #: 320 total cpu time spent up to now is 52.4 secs Computing kpt #: 321 total cpu time spent up to now is 52.5 secs Computing kpt #: 322 total cpu time spent up to now is 52.7 secs Computing kpt #: 323 total cpu time spent up to now is 52.8 secs Computing kpt #: 324 total cpu time spent up to now is 52.9 secs Computing kpt #: 325 total cpu time spent up to now is 53.1 secs Computing kpt #: 326 total cpu time spent up to now is 53.2 secs Computing kpt #: 327 total cpu time spent up to now is 53.4 secs Computing kpt #: 328 total cpu time spent up to now is 53.5 secs Computing kpt #: 329 total cpu time spent up to now is 53.7 secs Computing kpt #: 330 total cpu time spent up to now is 53.8 secs Computing kpt #: 331 total cpu time spent up to now is 54.0 secs Computing kpt #: 332 total cpu time spent up to now is 54.1 secs Computing kpt #: 333 total cpu time spent up to now is 54.2 secs Computing kpt #: 334 total cpu time spent up to now is 54.4 secs Computing kpt #: 335 total cpu time spent up to now is 54.6 secs Computing kpt #: 336 total cpu time spent up to now is 54.7 secs Computing kpt #: 337 total cpu time spent up to now is 54.9 secs Computing kpt #: 338 total cpu time spent up to now is 55.0 secs Computing kpt #: 339 total cpu time spent up to now is 55.2 secs Computing kpt #: 340 total cpu time spent up to now is 55.3 secs Computing kpt #: 341 total cpu time spent up to now is 55.4 secs Computing kpt #: 342 total cpu time spent up to now is 55.6 secs Computing kpt #: 343 total cpu time spent up to now is 55.7 secs Computing kpt #: 344 total cpu time spent up to now is 55.9 secs Computing kpt #: 345 total cpu time spent up to now is 56.1 secs Computing kpt #: 346 total cpu time spent up to now is 56.4 secs Computing kpt #: 347 total cpu time spent up to now is 56.7 secs Computing kpt #: 348 total cpu time spent up to now is 57.0 secs Computing kpt #: 349 total cpu time spent up to now is 57.2 secs Computing kpt #: 350 total cpu time spent up to now is 57.4 secs Computing kpt #: 351 total cpu time spent up to now is 57.6 secs Computing kpt #: 352 total cpu time spent up to now is 58.0 secs Computing kpt #: 353 total cpu time spent up to now is 58.5 secs Computing kpt #: 354 total cpu time spent up to now is 58.8 secs Computing kpt #: 355 total cpu time spent up to now is 59.1 secs Computing kpt #: 356 total cpu time spent up to now is 59.3 secs Computing kpt #: 357 total cpu time spent up to now is 59.5 secs Computing kpt #: 358 total cpu time spent up to now is 59.7 secs Computing kpt #: 359 total cpu time spent up to now is 60.0 secs Computing kpt #: 360 total cpu time spent up to now is 60.2 secs Computing kpt #: 361 total cpu time spent up to now is 60.4 secs Computing kpt #: 362 total cpu time spent up to now is 60.6 secs Computing kpt #: 363 total cpu time spent up to now is 60.8 secs Computing kpt #: 364 total cpu time spent up to now is 61.0 secs Computing kpt #: 365 total cpu time spent up to now is 61.2 secs Computing kpt #: 366 total cpu time spent up to now is 61.4 secs Computing kpt #: 367 total cpu time spent up to now is 61.6 secs Computing kpt #: 368 total cpu time spent up to now is 61.8 secs Computing kpt #: 369 total cpu time spent up to now is 62.0 secs Computing kpt #: 370 total cpu time spent up to now is 62.2 secs Computing kpt #: 371 total cpu time spent up to now is 62.4 secs Computing kpt #: 372 total cpu time spent up to now is 62.6 secs Computing kpt #: 373 total cpu time spent up to now is 62.8 secs ethr = 4.55E-08, avg # of iterations = 17.9 total cpu time spent up to now is 62.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2297 PWs) bands (ev): -11.4608 -11.4608 -10.5987 -10.5987 -0.8922 -0.8922 1.0125 1.0125 1.0657 1.0657 2.2536 2.2536 2.3654 2.3654 2.5801 2.5801 4.5050 4.5050 4.5120 4.5120 4.7698 4.7698 5.8100 5.8100 5.8242 5.8242 8.5527 8.5527 10.1693 10.1693 k = 0.0098 0.0057-0.0000 ( 2305 PWs) bands (ev): -11.4603 -11.4603 -10.5985 -10.5985 -0.8914 -0.8914 1.0118 1.0118 1.0649 1.0649 2.2509 2.2509 2.3625 2.3625 2.5797 2.5797 4.5057 4.5057 4.5127 4.5127 4.7701 4.7701 5.8095 5.8095 5.8236 5.8236 8.5567 8.5567 10.1737 10.1737 k = 0.0196 0.0113-0.0000 ( 2305 PWs) bands (ev): -11.4586 -11.4586 -10.5980 -10.5980 -0.8887 -0.8887 1.0093 1.0093 1.0628 1.0628 2.2425 2.2425 2.3541 2.3541 2.5786 2.5786 4.5077 4.5077 4.5147 4.5147 4.7713 4.7713 5.8079 5.8079 5.8223 5.8223 8.5689 8.5689 10.1870 10.1870 k = 0.0294 0.0170-0.0000 ( 2309 PWs) bands (ev): -11.4558 -11.4558 -10.5972 -10.5972 -0.8844 -0.8844 1.0048 1.0048 1.0596 1.0596 2.2279 2.2279 2.3411 2.3411 2.5767 2.5767 4.5106 4.5106 4.5183 4.5183 4.7733 4.7733 5.8050 5.8050 5.8202 5.8202 8.5891 8.5891 10.2090 10.2090 k = 0.0392 0.0226-0.0000 ( 2305 PWs) bands (ev): -11.4518 -11.4518 -10.5960 -10.5960 -0.8783 -0.8783 0.9978 0.9978 1.0561 1.0561 2.2059 2.2059 2.3247 2.3247 2.5740 2.5740 4.5140 4.5140 4.5239 4.5239 4.7761 4.7761 5.8010 5.8010 5.8178 5.8178 8.6171 8.6172 10.2395 10.2395 k = 0.0490 0.0283-0.0000 ( 2297 PWs) bands (ev): -11.4468 -11.4468 -10.5945 -10.5945 -0.8704 -0.8704 0.9877 0.9877 1.0528 1.0528 2.1758 2.1758 2.3065 2.3065 2.5705 2.5705 4.5175 4.5175 4.5313 4.5313 4.7798 4.7798 5.7957 5.7957 5.8152 5.8152 8.6528 8.6528 10.2782 10.2782 k = 0.0588 0.0340-0.0000 ( 2293 PWs) bands (ev): -11.4407 -11.4407 -10.5927 -10.5927 -0.8609 -0.8609 0.9743 0.9743 1.0501 1.0501 2.1371 2.1371 2.2873 2.2873 2.5661 2.5661 4.5210 4.5210 4.5404 4.5404 4.7842 4.7842 5.7891 5.7891 5.8123 5.8123 8.6958 8.6958 10.3246 10.3246 k = 0.0686 0.0396-0.0000 ( 2289 PWs) bands (ev): -11.4334 -11.4334 -10.5905 -10.5905 -0.8497 -0.8497 0.9578 0.9578 1.0480 1.0480 2.0902 2.0902 2.2675 2.2675 2.5607 2.5607 4.5242 4.5242 4.5510 4.5510 4.7895 4.7895 5.7817 5.7817 5.8094 5.8094 8.7459 8.7459 10.3783 10.3783 k = 0.0784 0.0453-0.0000 ( 2287 PWs) bands (ev): -11.4251 -11.4251 -10.5881 -10.5881 -0.8368 -0.8368 0.9382 0.9382 1.0464 1.0464 2.0360 2.0360 2.2469 2.2469 2.5542 2.5542 4.5271 4.5271 4.5628 4.5628 4.7956 4.7956 5.7737 5.7737 5.8063 5.8063 8.8026 8.8026 10.4389 10.4389 k = 0.0882 0.0509-0.0000 ( 2287 PWs) bands (ev): -11.4158 -11.4158 -10.5854 -10.5854 -0.8222 -0.8222 0.9159 0.9159 1.0453 1.0453 1.9754 1.9754 2.2254 2.2254 2.5464 2.5464 4.5294 4.5294 4.5757 4.5757 4.8024 4.8024 5.7653 5.7653 5.8032 5.8032 8.8655 8.8655 10.5055 10.5055 k = 0.0980 0.0566-0.0000 ( 2277 PWs) bands (ev): -11.4054 -11.4054 -10.5824 -10.5824 -0.8061 -0.8061 0.8912 0.8912 1.0445 1.0445 1.9093 1.9093 2.2029 2.2029 2.5372 2.5372 4.5312 4.5312 4.5897 4.5897 4.8100 4.8100 5.7568 5.7568 5.8001 5.8001 8.9341 8.9341 10.5776 10.5776 k = 0.1078 0.0623-0.0000 ( 2281 PWs) bands (ev): -11.3941 -11.3941 -10.5791 -10.5791 -0.7884 -0.7884 0.8643 0.8643 1.0440 1.0440 1.8386 1.8386 2.1794 2.1794 2.5265 2.5265 4.5322 4.5322 4.6042 4.6042 4.8182 4.8182 5.7484 5.7484 5.7970 5.7970 9.0079 9.0079 10.6544 10.6544 k = 0.1176 0.0679-0.0000 ( 2277 PWs) bands (ev): -11.3817 -11.3817 -10.5756 -10.5756 -0.7692 -0.7692 0.8354 0.8354 1.0437 1.0437 1.7642 1.7642 2.1548 2.1548 2.5140 2.5140 4.5325 4.5325 4.6193 4.6193 4.8268 4.8268 5.7405 5.7405 5.7940 5.7940 9.0865 9.0865 10.7350 10.7350 k = 0.1275 0.0736-0.0000 ( 2273 PWs) bands (ev): -11.3684 -11.3684 -10.5719 -10.5719 -0.7486 -0.7486 0.8046 0.8046 1.0435 1.0435 1.6867 1.6867 2.1292 2.1292 2.4997 2.4997 4.5321 4.5321 4.6349 4.6349 4.8359 4.8359 5.7332 5.7332 5.7911 5.7911 9.1691 9.1691 10.8182 10.8182 k = 0.1373 0.0792-0.0000 ( 2281 PWs) bands (ev): -11.3542 -11.3542 -10.5681 -10.5681 -0.7266 -0.7266 0.7722 0.7722 1.0434 1.0434 1.6069 1.6069 2.1027 2.1027 2.4835 2.4835 4.5308 4.5308 4.6506 4.6506 4.8453 4.8453 5.7266 5.7266 5.7885 5.7885 9.2553 9.2553 10.9029 10.9029 k = 0.1471 0.0849-0.0000 ( 2285 PWs) bands (ev): -11.3391 -11.3391 -10.5640 -10.5640 -0.7032 -0.7032 0.7382 0.7382 1.0435 1.0435 1.5254 1.5254 2.0754 2.0754 2.4654 2.4654 4.5289 4.5289 4.6664 4.6664 4.8549 4.8549 5.7210 5.7210 5.7862 5.7862 9.3445 9.3445 10.9875 10.9875 k = 0.1569 0.0906-0.0000 ( 2279 PWs) bands (ev): -11.3231 -11.3231 -10.5598 -10.5598 -0.6786 -0.6786 0.7028 0.7028 1.0436 1.0436 1.4429 1.4429 2.0473 2.0473 2.4452 2.4452 4.5265 4.5265 4.6822 4.6822 4.8647 4.8647 5.7166 5.7166 5.7842 5.7842 9.4359 9.4359 11.0702 11.0702 k = 0.1667 0.0962-0.0000 ( 2279 PWs) bands (ev): -11.3064 -11.3064 -10.5555 -10.5555 -0.6528 -0.6528 0.6660 0.6660 1.0438 1.0438 1.3601 1.3601 2.0186 2.0186 2.4231 2.4231 4.5233 4.5233 4.6976 4.6976 4.8744 4.8744 5.7134 5.7134 5.7827 5.7827 9.5290 9.5290 11.1485 11.1485 k = 0.1765 0.1019-0.0000 ( 2279 PWs) bands (ev): -11.2888 -11.2888 -10.5510 -10.5510 -0.6260 -0.6260 0.6278 0.6278 1.0441 1.0441 1.2776 1.2776 1.9894 1.9894 2.3989 2.3989 4.5197 4.5197 4.7128 4.7128 4.8842 4.8842 5.7113 5.7113 5.7817 5.7817 9.6230 9.6230 11.2197 11.2197 k = 0.1863 0.1075-0.0000 ( 2279 PWs) bands (ev): -11.2706 -11.2706 -10.5466 -10.5466 -0.5984 -0.5984 0.5881 0.5881 1.0445 1.0445 1.1962 1.1962 1.9598 1.9598 2.3727 2.3727 4.5155 4.5155 4.7276 4.7276 4.8938 4.8938 5.7105 5.7105 5.7812 5.7812 9.7171 9.7171 11.2803 11.2803 k = 0.1961 0.1132-0.0000 ( 2271 PWs) bands (ev): -11.2516 -11.2516 -10.5420 -10.5420 -0.5700 -0.5700 0.5470 0.5470 1.0447 1.0447 1.1166 1.1166 1.9299 1.9299 2.3446 2.3446 4.5109 4.5109 4.7418 4.7418 4.9032 4.9032 5.7110 5.7110 5.7814 5.7814 9.8107 9.8107 11.3270 11.3270 k = 0.2059 0.1189-0.0000 ( 2271 PWs) bands (ev): -11.2321 -11.2321 -10.5375 -10.5375 -0.5411 -0.5411 0.5044 0.5044 1.0339 1.0339 1.0505 1.0505 1.8998 1.8998 2.3146 2.3146 4.5059 4.5059 4.7554 4.7554 4.9124 4.9124 5.7127 5.7127 5.7822 5.7822 9.9029 9.9029 11.3571 11.3571 k = 0.2157 0.1245-0.0000 ( 2279 PWs) bands (ev): -11.2119 -11.2119 -10.5330 -10.5330 -0.5119 -0.5119 0.4601 0.4601 0.9631 0.9631 1.0476 1.0476 1.8696 1.8696 2.2829 2.2829 4.5004 4.5004 4.7682 4.7682 4.9212 4.9212 5.7155 5.7155 5.7835 5.7835 9.9928 9.9928 11.3694 11.3694 k = 0.2255 0.1302-0.0000 ( 2279 PWs) bands (ev): -11.1912 -11.1912 -10.5286 -10.5286 -0.4828 -0.4828 0.4143 0.4143 0.8926 0.8926 1.0482 1.0482 1.8393 1.8393 2.2495 2.2495 4.4948 4.4948 4.7804 4.7804 4.9298 4.9298 5.7194 5.7194 5.7856 5.7856 10.0793 10.0793 11.3650 11.3650 k = 0.2353 0.1358-0.0000 ( 2285 PWs) bands (ev): -11.1701 -11.1701 -10.5242 -10.5242 -0.4542 -0.4542 0.3670 0.3670 0.8263 0.8263 1.0492 1.0492 1.8092 1.8092 2.2146 2.2146 4.4888 4.4888 4.7917 4.7917 4.9378 4.9378 5.7243 5.7243 5.7883 5.7883 10.1614 10.1614 11.3471 11.3471 k = 0.2451 0.1415-0.0000 ( 2279 PWs) bands (ev): -11.1485 -11.1485 -10.5200 -10.5200 -0.4268 -0.4268 0.3186 0.3186 0.7650 0.7650 1.0504 1.0504 1.7792 1.7792 2.1782 2.1782 4.4827 4.4827 4.8023 4.8023 4.9455 4.9455 5.7301 5.7301 5.7916 5.7916 10.2379 10.2379 11.3194 11.3194 k = 0.2549 0.1472-0.0000 ( 2271 PWs) bands (ev): -11.1265 -11.1265 -10.5160 -10.5160 -0.4012 -0.4012 0.2697 0.2697 0.7089 0.7089 1.0519 1.0519 1.7494 1.7494 2.1406 2.1406 4.4765 4.4765 4.8122 4.8122 4.9527 4.9527 5.7368 5.7368 5.7956 5.7956 10.3074 10.3074 11.2859 11.2859 k = 0.2647 0.1528-0.0000 ( 2271 PWs) bands (ev): -11.1043 -11.1043 -10.5121 -10.5121 -0.3787 -0.3787 0.2216 0.2216 0.6584 0.6584 1.0535 1.0535 1.7198 1.7198 2.1018 2.1018 4.4701 4.4701 4.8211 4.8211 4.9594 4.9594 5.7442 5.7442 5.8001 5.8001 10.3684 10.3684 11.2504 11.2504 k = 0.2745 0.1585-0.0000 ( 2269 PWs) bands (ev): -11.0818 -11.0818 -10.5085 -10.5085 -0.3607 -0.3607 0.1760 0.1760 0.6135 0.6135 1.0553 1.0553 1.6907 1.6907 2.0619 2.0619 4.4637 4.4637 4.8293 4.8293 4.9655 4.9655 5.7521 5.7521 5.8051 5.8051 10.4193 10.4193 11.2159 11.2159 k = 0.2843 0.1641-0.0000 ( 2255 PWs) bands (ev): -11.0592 -11.0592 -10.5051 -10.5051 -0.3492 -0.3492 0.1349 0.1349 0.5742 0.5742 1.0573 1.0573 1.6619 1.6619 2.0212 2.0212 4.4572 4.4572 4.8367 4.8367 4.9711 4.9711 5.7606 5.7606 5.8107 5.8107 10.4587 10.4587 11.1850 11.1850 k = 0.2941 0.1698-0.0000 ( 2257 PWs) bands (ev): -11.0364 -11.0364 -10.5021 -10.5021 -0.3466 -0.3466 0.1009 0.1009 0.5406 0.5406 1.0596 1.0596 1.6336 1.6336 1.9797 1.9797 4.4507 4.4507 4.8433 4.8433 4.9760 4.9760 5.7693 5.7693 5.8166 5.8166 10.4852 10.4852 11.1598 11.1598 k = 0.3039 0.1755-0.0000 ( 2255 PWs) bands (ev): -11.0136 -11.0136 -10.4994 -10.4994 -0.3545 -0.3545 0.0758 0.0758 0.5128 0.5128 1.0622 1.0622 1.6057 1.6057 1.9375 1.9375 4.4442 4.4442 4.8492 4.8492 4.9803 4.9803 5.7784 5.7784 5.8228 5.8228 10.4987 10.4987 11.1411 11.1411 k = 0.3137 0.1811-0.0000 ( 2257 PWs) bands (ev): -10.9909 -10.9909 -10.4971 -10.4971 -0.3737 -0.3737 0.0601 0.0601 0.4910 0.4910 1.0650 1.0650 1.5784 1.5784 1.8948 1.8948 4.4378 4.4378 4.8544 4.8544 4.9839 4.9839 5.7875 5.7875 5.8293 5.8293 10.4996 10.4996 11.1289 11.1289 k = 0.3235 0.1868-0.0000 ( 2257 PWs) bands (ev): -10.9682 -10.9682 -10.4952 -10.4952 -0.4028 -0.4028 0.0523 0.0523 0.4756 0.4756 1.0682 1.0682 1.5517 1.5517 1.8517 1.8517 4.4315 4.4315 4.8590 4.8590 4.9868 4.9868 5.7968 5.7968 5.8360 5.8360 10.4898 10.4898 11.1219 11.1219 k = 0.3333 0.1925-0.0000 ( 2258 PWs) bands (ev): -10.9457 -10.9457 -10.4937 -10.4937 -0.4393 -0.4393 0.0497 0.0497 0.4670 0.4670 1.0716 1.0716 1.5255 1.5255 1.8082 1.8082 4.4252 4.4252 4.8630 4.8630 4.9892 4.9892 5.8060 5.8060 5.8429 5.8429 10.4716 10.4716 11.1184 11.1184 k = 0.3431 0.1981-0.0000 ( 2258 PWs) bands (ev): -10.9235 -10.9235 -10.4927 -10.4927 -0.4807 -0.4807 0.0494 0.0494 0.4655 0.4655 1.0755 1.0755 1.5000 1.5000 1.7645 1.7645 4.4192 4.4192 4.8665 4.8665 4.9910 4.9910 5.8150 5.8150 5.8498 5.8498 10.4475 10.4475 11.1165 11.1165 k = 0.3529 0.2038-0.0000 ( 2258 PWs) bands (ev): -10.9016 -10.9016 -10.4921 -10.4921 -0.5245 -0.5245 0.0493 0.0493 0.4712 0.4712 1.0797 1.0797 1.4751 1.4751 1.7207 1.7207 4.4133 4.4133 4.8694 4.8694 4.9922 4.9922 5.8239 5.8239 5.8567 5.8567 10.4196 10.4196 11.1148 11.1148 k = 0.3627 0.2094-0.0000 ( 2258 PWs) bands (ev): -10.8801 -10.8801 -10.4921 -10.4921 -0.5692 -0.5692 0.0479 0.0479 0.4838 0.4838 1.0843 1.0843 1.4509 1.4509 1.6768 1.6768 4.4077 4.4077 4.8719 4.8719 4.9929 4.9929 5.8324 5.8324 5.8636 5.8636 10.3898 10.3898 11.1124 11.1124 k = 0.3725 0.2151-0.0000 ( 2258 PWs) bands (ev): -10.8591 -10.8591 -10.4926 -10.4926 -0.6135 -0.6135 0.0448 0.0448 0.5025 0.5025 1.0893 1.0893 1.4273 1.4273 1.6330 1.6330 4.4023 4.4023 4.8741 4.8741 4.9931 4.9931 5.8407 5.8407 5.8703 5.8703 10.3592 10.3592 11.1086 11.1086 k = 0.3824 0.2208-0.0000 ( 2262 PWs) bands (ev): -10.8387 -10.8387 -10.4936 -10.4936 -0.6565 -0.6565 0.0400 0.0400 0.5266 0.5266 1.0948 1.0948 1.4043 1.4043 1.5893 1.5893 4.3972 4.3972 4.8758 4.8758 4.9929 4.9929 5.8484 5.8484 5.8768 5.8768 10.3291 10.3291 11.1035 11.1035 k = 0.3922 0.2264-0.0000 ( 2258 PWs) bands (ev): -10.8190 -10.8190 -10.4951 -10.4951 -0.6975 -0.6975 0.0340 0.0340 0.5550 0.5550 1.1007 1.1007 1.3819 1.3819 1.5460 1.5460 4.3924 4.3924 4.8772 4.8772 4.9924 4.9924 5.8558 5.8558 5.8830 5.8830 10.3000 10.3000 11.0970 11.0970 k = 0.4020 0.2321-0.0000 ( 2270 PWs) bands (ev): -10.8000 -10.8000 -10.4971 -10.4971 -0.7361 -0.7361 0.0271 0.0271 0.5867 0.5867 1.1072 1.1072 1.3600 1.3600 1.5030 1.5030 4.3878 4.3878 4.8783 4.8783 4.9915 4.9915 5.8626 5.8626 5.8888 5.8888 10.2725 10.2725 11.0895 11.0895 k = 0.4118 0.2377-0.0000 ( 2266 PWs) bands (ev): -10.7819 -10.7819 -10.4996 -10.4996 -0.7718 -0.7718 0.0199 0.0199 0.6210 0.6210 1.1141 1.1141 1.3385 1.3385 1.4608 1.4608 4.3837 4.3837 4.8792 4.8792 4.9905 4.9905 5.8689 5.8689 5.8944 5.8944 10.2470 10.2470 11.0813 11.0813 k = 0.4216 0.2434-0.0000 ( 2274 PWs) bands (ev): -10.7648 -10.7648 -10.5026 -10.5026 -0.8044 -0.8044 0.0126 0.0126 0.6571 0.6571 1.1216 1.1216 1.3172 1.3172 1.4195 1.4195 4.3799 4.3799 4.8798 4.8798 4.9893 4.9893 5.8746 5.8746 5.8995 5.8995 10.2237 10.2237 11.0727 11.0727 k = 0.4314 0.2491-0.0000 ( 2274 PWs) bands (ev): -10.7489 -10.7489 -10.5058 -10.5058 -0.8336 -0.8336 0.0057 0.0057 0.6943 0.6943 1.1297 1.1297 1.2957 1.2957 1.3800 1.3800 4.3765 4.3765 4.8803 4.8803 4.9880 4.9880 5.8797 5.8797 5.9042 5.9042 10.2029 10.2029 11.0641 11.0641 k = 0.4412 0.2547-0.0000 ( 2276 PWs) bands (ev): -10.7343 -10.7343 -10.5093 -10.5093 -0.8592 -0.8592 -0.0007 -0.0007 0.7320 0.7320 1.1383 1.1383 1.2731 1.2731 1.3430 1.3430 4.3736 4.3736 4.8806 4.8806 4.9867 4.9867 5.8842 5.8842 5.9083 5.9083 10.1846 10.1846 11.0560 11.0560 k = 0.4510 0.2604-0.0000 ( 2280 PWs) bands (ev): -10.7212 -10.7212 -10.5129 -10.5129 -0.8812 -0.8812 -0.0064 -0.0064 0.7695 0.7695 1.1473 1.1473 1.2487 1.2487 1.3102 1.3102 4.3710 4.3710 4.8808 4.8808 4.9855 4.9855 5.8880 5.8880 5.9118 5.9118 10.1691 10.1691 11.0485 11.0485 k = 0.4608 0.2660-0.0000 ( 2268 PWs) bands (ev): -10.7099 -10.7099 -10.5164 -10.5164 -0.8993 -0.8993 -0.0112 -0.0112 0.8059 0.8059 1.1566 1.1566 1.2221 1.2221 1.2827 1.2827 4.3690 4.3690 4.8811 4.8811 4.9846 4.9846 5.8912 5.8912 5.9148 5.9148 10.1563 10.1563 11.0420 11.0420 k = 0.4706 0.2717-0.0000 ( 2268 PWs) bands (ev): -10.7007 -10.7007 -10.5195 -10.5195 -0.9134 -0.9134 -0.0150 -0.0150 0.8397 0.8397 1.1640 1.1640 1.1969 1.1969 1.2602 1.2602 4.3674 4.3674 4.8811 4.8811 4.9837 4.9837 5.8936 5.8936 5.9172 5.9172 10.1463 10.1463 11.0367 11.0367 k = 0.4804 0.2774-0.0000 ( 2264 PWs) bands (ev): -10.6938 -10.6938 -10.5220 -10.5220 -0.9236 -0.9236 -0.0178 -0.0178 0.8689 0.8689 1.1577 1.1577 1.1885 1.1885 1.2413 1.2413 4.3662 4.3662 4.8812 4.8812 4.9831 4.9831 5.8954 5.8954 5.9189 5.9189 10.1392 10.1392 11.0328 11.0328 k = 0.4902 0.2830-0.0000 ( 2268 PWs) bands (ev): -10.6895 -10.6895 -10.5237 -10.5237 -0.9297 -0.9297 -0.0195 -0.0195 0.8896 0.8896 1.1418 1.1418 1.1974 1.1974 1.2248 1.2248 4.3655 4.3655 4.8812 4.8812 4.9827 4.9827 5.8965 5.8965 5.9198 5.9198 10.1349 10.1349 11.0304 11.0304 k = 0.5000 0.2887-0.0000 ( 2264 PWs) bands (ev): -10.6880 -10.6880 -10.5242 -10.5242 -0.9318 -0.9318 -0.0201 -0.0201 0.8973 0.8973 1.1350 1.1350 1.2087 1.2087 1.2116 1.2116 4.3653 4.3653 4.8812 4.8812 4.9826 4.9826 5.8969 5.8969 5.9202 5.9202 10.1334 10.1334 11.0296 11.0296 k = 0.5000 0.2887-0.0000 ( 2264 PWs) bands (ev): -10.6880 -10.6880 -10.5242 -10.5242 -0.9318 -0.9318 -0.0201 -0.0201 0.8973 0.8973 1.1350 1.1350 1.2087 1.2087 1.2116 1.2116 4.3653 4.3653 4.8812 4.8812 4.9826 4.9826 5.8969 5.8969 5.9202 5.9202 10.1334 10.1334 11.0296 11.0296 k = 0.4944 0.2983-0.0000 ( 2268 PWs) bands (ev): -10.6878 -10.6878 -10.5242 -10.5242 -0.9310 -0.9310 -0.0197 -0.0197 0.8971 0.8971 1.1345 1.1345 1.2040 1.2040 1.2135 1.2135 4.3668 4.3668 4.8812 4.8812 4.9824 4.9824 5.8962 5.8962 5.9190 5.9190 10.1352 10.1352 11.0345 11.0345 k = 0.4889 0.3079-0.0000 ( 2264 PWs) bands (ev): -10.6872 -10.6872 -10.5239 -10.5239 -0.9286 -0.9286 -0.0188 -0.0188 0.8964 0.8964 1.1327 1.1327 1.1948 1.1948 1.2145 1.2145 4.3713 4.3713 4.8812 4.8812 4.9821 4.9821 5.8943 5.8943 5.9157 5.9157 10.1405 10.1405 11.0490 11.0490 k = 0.4833 0.3175-0.0000 ( 2268 PWs) bands (ev): -10.6861 -10.6861 -10.5236 -10.5236 -0.9246 -0.9246 -0.0171 -0.0171 0.8953 0.8953 1.1288 1.1288 1.1826 1.1826 1.2142 1.2142 4.3787 4.3787 4.8811 4.8811 4.9815 4.9815 5.8908 5.8908 5.9104 5.9104 10.1493 10.1493 11.0731 11.0731 k = 0.4778 0.3272-0.0000 ( 2268 PWs) bands (ev): -10.6846 -10.6846 -10.5232 -10.5232 -0.9191 -0.9191 -0.0148 -0.0148 0.8938 0.8938 1.1204 1.1204 1.1695 1.1695 1.2129 1.2129 4.3888 4.3888 4.8810 4.8810 4.9807 4.9807 5.8853 5.8853 5.9040 5.9040 10.1612 10.1612 11.1064 11.1064 k = 0.4722 0.3368-0.0000 ( 2272 PWs) bands (ev): -10.6828 -10.6828 -10.5226 -10.5226 -0.9120 -0.9120 -0.0119 -0.0119 0.8918 0.8918 1.1041 1.1041 1.1590 1.1590 1.2110 1.2110 4.4013 4.4013 4.8809 4.8809 4.9797 4.9797 5.8771 5.8771 5.8972 5.8972 10.1760 10.1760 11.1488 11.1488 k = 0.4667 0.3464-0.0000 ( 2270 PWs) bands (ev): -10.6805 -10.6805 -10.5219 -10.5219 -0.9034 -0.9034 -0.0084 -0.0084 0.8893 0.8893 1.0791 1.0791 1.1524 1.1524 1.2085 1.2085 4.4160 4.4160 4.8809 4.8809 4.9785 4.9785 5.8659 5.8659 5.8907 5.8907 10.1933 10.1933 11.1997 11.1997 k = 0.4611 0.3560-0.0000 ( 2272 PWs) bands (ev): -10.6778 -10.6778 -10.5212 -10.5212 -0.8932 -0.8932 -0.0044 -0.0044 0.8862 0.8862 1.0473 1.0473 1.1481 1.1481 1.2055 1.2055 4.4325 4.4325 4.8808 4.8808 4.9772 4.9772 5.8523 5.8523 5.8842 5.8842 10.2126 10.2126 11.2588 11.2588 k = 0.4556 0.3657-0.0000 ( 2264 PWs) bands (ev): -10.6747 -10.6747 -10.5203 -10.5203 -0.8816 -0.8816 0.0002 0.0002 0.8820 0.8820 1.0111 1.0111 1.1446 1.1446 1.2023 1.2023 4.4506 4.4506 4.8809 4.8809 4.9758 4.9758 5.8370 5.8370 5.8774 5.8774 10.2336 10.2336 11.3255 11.3255 k = 0.4500 0.3753-0.0000 ( 2266 PWs) bands (ev): -10.6713 -10.6713 -10.5195 -10.5195 -0.8686 -0.8686 0.0052 0.0052 0.8754 0.8754 0.9729 0.9729 1.1411 1.1411 1.1988 1.1988 4.4697 4.4697 4.8808 4.8808 4.9744 4.9744 5.8203 5.8203 5.8701 5.8701 10.2556 10.2556 11.3992 11.3992 k = 0.4444 0.3849-0.0000 ( 2266 PWs) bands (ev): -10.6674 -10.6674 -10.5186 -10.5186 -0.8542 -0.8542 0.0106 0.0106 0.8627 0.8627 0.9373 0.9373 1.1371 1.1371 1.1953 1.1953 4.4895 4.4895 4.8808 4.8808 4.9730 4.9730 5.8028 5.8028 5.8623 5.8623 10.2780 10.2780 11.4793 11.4793 k = 0.4389 0.3945-0.0000 ( 2262 PWs) bands (ev): -10.6633 -10.6633 -10.5177 -10.5177 -0.8384 -0.8384 0.0164 0.0164 0.8365 0.8365 0.9125 0.9125 1.1323 1.1323 1.1918 1.1918 4.5098 4.5098 4.8809 4.8809 4.9717 4.9717 5.7848 5.7848 5.8540 5.8540 10.3002 10.3002 11.5652 11.5652 k = 0.4333 0.4041-0.0000 ( 2264 PWs) bands (ev): -10.6588 -10.6588 -10.5168 -10.5168 -0.8214 -0.8214 0.0225 0.0225 0.7957 0.7957 0.9004 0.9004 1.1266 1.1266 1.1884 1.1884 4.5300 4.5300 4.8810 4.8810 4.9705 4.9705 5.7668 5.7668 5.8450 5.8450 10.3216 10.3216 11.6561 11.6561 k = 0.4278 0.4138-0.0000 ( 2260 PWs) bands (ev): -10.6540 -10.6540 -10.5160 -10.5160 -0.8032 -0.8032 0.0288 0.0288 0.7471 0.7471 0.8947 0.8947 1.1200 1.1200 1.1852 1.1852 4.5500 4.5500 4.8812 4.8812 4.9696 4.9696 5.7490 5.7490 5.8355 5.8355 10.3418 10.3418 11.7514 11.7514 k = 0.4222 0.4234-0.0000 ( 2260 PWs) bands (ev): -10.6489 -10.6489 -10.5153 -10.5153 -0.7838 -0.7838 0.0352 0.0352 0.6949 0.6949 0.8918 0.8918 1.1123 1.1123 1.1820 1.1820 4.5694 4.5694 4.8815 4.8815 4.9689 4.9689 5.7317 5.7317 5.8256 5.8256 10.3603 10.3603 11.8502 11.8502 k = 0.4167 0.4330-0.0000 ( 2264 PWs) bands (ev): -10.6436 -10.6436 -10.5147 -10.5147 -0.7635 -0.7635 0.0417 0.0417 0.6410 0.6410 0.8904 0.8904 1.1038 1.1038 1.1788 1.1788 4.5879 4.5879 4.8819 4.8819 4.9685 4.9685 5.7151 5.7151 5.8151 5.8151 10.3766 10.3766 11.9518 11.9518 k = 0.4111 0.4426-0.0000 ( 2272 PWs) bands (ev): -10.6380 -10.6380 -10.5143 -10.5143 -0.7422 -0.7422 0.0480 0.0480 0.5864 0.5864 0.8901 0.8901 1.0946 1.0946 1.1755 1.1755 4.6052 4.6052 4.8824 4.8824 4.9686 4.9686 5.6995 5.6995 5.8043 5.8043 10.3906 10.3906 12.0554 12.0554 k = 0.4056 0.4523-0.0000 ( 2272 PWs) bands (ev): -10.6322 -10.6322 -10.5141 -10.5141 -0.7202 -0.7202 0.0543 0.0543 0.5318 0.5318 0.8909 0.8909 1.0847 1.0847 1.1719 1.1719 4.6212 4.6212 4.8830 4.8830 4.9690 4.9690 5.6852 5.6852 5.7931 5.7931 10.4020 10.4020 12.1600 12.1600 k = 0.4000 0.4619-0.0000 ( 2272 PWs) bands (ev): -10.6261 -10.6261 -10.5141 -10.5141 -0.6977 -0.6977 0.0602 0.0602 0.4779 0.4779 0.8927 0.8927 1.0745 1.0745 1.1679 1.1679 4.6358 4.6358 4.8839 4.8839 4.9698 4.9698 5.6721 5.6721 5.7817 5.7817 10.4110 10.4110 12.2648 12.2648 k = 0.3944 0.4715-0.0000 ( 2270 PWs) bands (ev): -10.6199 -10.6199 -10.5144 -10.5144 -0.6747 -0.6747 0.0658 0.0658 0.4251 0.4251 0.8954 0.8954 1.0642 1.0642 1.1634 1.1634 4.6487 4.6487 4.8850 4.8850 4.9711 4.9711 5.6607 5.6607 5.7702 5.7702 10.4175 10.4175 12.3687 12.3687 k = 0.3889 0.4811-0.0000 ( 2268 PWs) bands (ev): -10.6136 -10.6136 -10.5151 -10.5151 -0.6516 -0.6516 0.0708 0.0708 0.3741 0.3741 0.8992 0.8992 1.0538 1.0538 1.1582 1.1582 4.6598 4.6598 4.8863 4.8863 4.9727 4.9727 5.6509 5.6509 5.7585 5.7585 10.4218 10.4218 12.4709 12.4709 k = 0.3833 0.4907-0.0000 ( 2272 PWs) bands (ev): -10.6071 -10.6071 -10.5160 -10.5160 -0.6286 -0.6286 0.0752 0.0752 0.3255 0.3255 0.9039 0.9039 1.0438 1.0438 1.1523 1.1523 4.6693 4.6693 4.8878 4.8878 4.9745 4.9745 5.6427 5.6427 5.7468 5.7468 10.4242 10.4242 12.5703 12.5703 k = 0.3778 0.5004-0.0000 ( 2260 PWs) bands (ev): -10.6005 -10.6005 -10.5174 -10.5174 -0.6062 -0.6062 0.0788 0.0788 0.2799 0.2799 0.9095 0.9095 1.0344 1.0344 1.1455 1.1455 4.6772 4.6772 4.8896 4.8896 4.9766 4.9766 5.6365 5.6365 5.7352 5.7352 10.4248 10.4248 12.6658 12.6658 k = 0.3722 0.5100-0.0000 ( 2260 PWs) bands (ev): -10.5938 -10.5938 -10.5192 -10.5192 -0.5846 -0.5846 0.0814 0.0814 0.2380 0.2380 0.9160 0.9160 1.0260 1.0260 1.1378 1.1378 4.6835 4.6835 4.8915 4.8915 4.9787 4.9787 5.6320 5.6320 5.7238 5.7238 10.4242 10.4242 12.7566 12.7566 k = 0.3667 0.5196-0.0000 ( 2260 PWs) bands (ev): -10.5871 -10.5871 -10.5215 -10.5215 -0.5644 -0.5644 0.0828 0.0828 0.2007 0.2007 0.9228 0.9228 1.0191 1.0191 1.1291 1.1291 4.6884 4.6884 4.8934 4.8934 4.9808 4.9808 5.6293 5.6293 5.7125 5.7125 10.4226 10.4226 12.8416 12.8416 k = 0.3611 0.5292-0.0000 ( 2268 PWs) bands (ev): -10.5804 -10.5804 -10.5244 -10.5244 -0.5462 -0.5462 0.0825 0.0825 0.1691 0.1691 0.9297 0.9297 1.0144 1.0144 1.1192 1.1192 4.6921 4.6921 4.8951 4.8951 4.9827 4.9827 5.6284 5.6284 5.7015 5.7015 10.4204 10.4204 12.9201 12.9201 k = 0.3556 0.5389-0.0000 ( 2266 PWs) bands (ev): -10.5737 -10.5737 -10.5277 -10.5277 -0.5305 -0.5305 0.0801 0.0801 0.1444 0.1444 0.9357 0.9357 1.0130 1.0130 1.1082 1.1082 4.6948 4.6948 4.8968 4.8968 4.9844 4.9844 5.6294 5.6294 5.6910 5.6910 10.4180 10.4180 12.9912 12.9912 k = 0.3500 0.5485-0.0000 ( 2270 PWs) bands (ev): -10.5670 -10.5670 -10.5317 -10.5317 -0.5179 -0.5179 0.0752 0.0752 0.1275 0.1275 0.9402 0.9402 1.0157 1.0157 1.0959 1.0959 4.6965 4.6965 4.8983 4.8983 4.9858 4.9858 5.6320 5.6320 5.6809 5.6809 10.4156 10.4156 13.0544 13.0544 k = 0.3444 0.5581-0.0000 ( 2270 PWs) bands (ev): -10.5604 -10.5604 -10.5363 -10.5363 -0.5088 -0.5088 0.0693 0.0693 0.1177 0.1177 0.9426 0.9426 1.0229 1.0229 1.0825 1.0825 4.6976 4.6976 4.8994 4.8994 4.9869 4.9869 5.6361 5.6361 5.6715 5.6715 10.4136 10.4136 13.1002 13.1004 k = 0.3389 0.5677-0.0000 ( 2273 PWs) bands (ev): -10.5540 -10.5540 -10.5415 -10.5415 -0.5034 -0.5034 0.0648 0.0648 0.1128 0.1128 0.9435 0.9435 1.0341 1.0341 1.0681 1.0681 4.6981 4.6981 4.9000 4.9000 4.9875 4.9875 5.6412 5.6412 5.6634 5.6634 10.4122 10.4122 13.1143 13.1143 k = 0.3333 0.5774-0.0000 ( 2283 PWs) bands (ev): -10.5483 -10.5483 -10.5467 -10.5467 -0.5018 -0.5018 0.0632 0.0632 0.1112 0.1112 0.9436 0.9436 1.0444 1.0444 1.0568 1.0568 4.6983 4.6983 4.9002 4.9002 4.9877 4.9877 5.6443 5.6443 5.6592 5.6592 10.4117 10.4117 13.1187 13.1187 k = 0.3333 0.5774-0.0000 ( 2283 PWs) bands (ev): -10.5483 -10.5483 -10.5467 -10.5467 -0.5018 -0.5018 0.0632 0.0632 0.1112 0.1112 0.9436 0.9436 1.0444 1.0444 1.0568 1.0568 4.6983 4.6983 4.9002 4.9002 4.9877 4.9877 5.6443 5.6443 5.6592 5.6592 10.4117 10.4117 13.1187 13.1187 k = 0.3277 0.5676-0.0000 ( 2273 PWs) bands (ev): -10.5544 -10.5544 -10.5411 -10.5411 -0.5033 -0.5033 0.0644 0.0644 0.1131 0.1131 0.9437 0.9437 1.0318 1.0318 1.0702 1.0702 4.6982 4.6982 4.9000 4.9000 4.9875 4.9875 5.6407 5.6407 5.6639 5.6639 10.4123 10.4123 13.1132 13.1132 k = 0.3220 0.5578-0.0000 ( 2269 PWs) bands (ev): -10.5619 -10.5619 -10.5350 -10.5350 -0.5074 -0.5074 0.0663 0.0663 0.1199 0.1199 0.9440 0.9440 1.0135 1.0135 1.0906 1.0906 4.6979 4.6979 4.8993 4.8993 4.9869 4.9869 5.6341 5.6341 5.6734 5.6734 10.4142 10.4142 13.0929 13.0929 k = 0.3164 0.5480-0.0000 ( 2269 PWs) bands (ev): -10.5702 -10.5702 -10.5291 -10.5291 -0.5133 -0.5133 0.0671 0.0671 0.1327 0.1327 0.9442 0.9442 0.9945 0.9945 1.1135 1.1135 4.6974 4.6974 4.8980 4.8980 4.9858 4.9858 5.6274 5.6274 5.6847 5.6847 10.4176 10.4176 13.0595 13.0595 k = 0.3107 0.5382-0.0000 ( 2271 PWs) bands (ev): -10.5794 -10.5794 -10.5234 -10.5234 -0.5199 -0.5199 0.0663 0.0663 0.1513 0.1513 0.9422 0.9422 0.9774 0.9774 1.1382 1.1382 4.6968 4.6968 4.8964 4.8964 4.9844 4.9844 5.6209 5.6209 5.6972 5.6972 10.4226 10.4226 13.0208 13.0208 k = 0.3051 0.5284-0.0000 ( 2265 PWs) bands (ev): -10.5894 -10.5894 -10.5180 -10.5180 -0.5265 -0.5265 0.0644 0.0644 0.1743 0.1743 0.9315 0.9315 0.9690 0.9690 1.1647 1.1647 4.6961 4.6961 4.8944 4.8944 4.9826 4.9826 5.6149 5.6149 5.7107 5.7107 10.4293 10.4293 12.9801 12.9801 k = 0.2994 0.5186-0.0000 ( 2261 PWs) bands (ev): -10.6002 -10.6002 -10.5128 -10.5128 -0.5323 -0.5323 0.0619 0.0619 0.2008 0.2008 0.9111 0.9111 0.9704 0.9704 1.1926 1.1926 4.6953 4.6953 4.8921 4.8921 4.9806 4.9806 5.6093 5.6093 5.7248 5.7248 10.4379 10.4379 12.9378 12.9378 k = 0.2938 0.5089-0.0000 ( 2265 PWs) bands (ev): -10.6119 -10.6119 -10.5080 -10.5080 -0.5368 -0.5368 0.0593 0.0593 0.2295 0.2295 0.8864 0.8864 0.9764 0.9764 1.2220 1.2220 4.6944 4.6944 4.8896 4.8896 4.9784 4.9784 5.6041 5.6041 5.7392 5.7392 10.4483 10.4483 12.8938 12.8938 k = 0.2881 0.4991-0.0000 ( 2261 PWs) bands (ev): -10.6244 -10.6244 -10.5035 -10.5035 -0.5394 -0.5394 0.0569 0.0569 0.2599 0.2599 0.8597 0.8597 0.9849 0.9849 1.2526 1.2526 4.6933 4.6933 4.8872 4.8872 4.9760 4.9760 5.5994 5.5994 5.7539 5.7539 10.4606 10.4606 12.8476 12.8476 k = 0.2825 0.4893-0.0000 ( 2269 PWs) bands (ev): -10.6377 -10.6377 -10.4993 -10.4993 -0.5400 -0.5400 0.0549 0.0549 0.2911 0.2911 0.8317 0.8317 0.9953 0.9953 1.2844 1.2844 4.6919 4.6919 4.8847 4.8847 4.9734 4.9734 5.5950 5.5950 5.7686 5.7686 10.4748 10.4748 12.7988 12.7988 k = 0.2768 0.4795-0.0000 ( 2273 PWs) bands (ev): -10.6519 -10.6519 -10.4955 -10.4955 -0.5380 -0.5380 0.0536 0.0536 0.3228 0.3228 0.8030 0.8030 1.0075 1.0075 1.3172 1.3172 4.6901 4.6901 4.8824 4.8824 4.9708 4.9708 5.5910 5.5910 5.7830 5.7830 10.4910 10.4910 12.7471 12.7471 k = 0.2712 0.4697-0.0000 ( 2269 PWs) bands (ev): -10.6669 -10.6669 -10.4921 -10.4921 -0.5335 -0.5335 0.0531 0.0531 0.3541 0.3541 0.7740 0.7740 1.0213 1.0213 1.3511 1.3511 4.6880 4.6880 4.8803 4.8803 4.9683 4.9683 5.5874 5.5874 5.7972 5.7972 10.5090 10.5090 12.6922 12.6922 k = 0.2655 0.4599-0.0000 ( 2265 PWs) bands (ev): -10.6827 -10.6827 -10.4891 -10.4891 -0.5263 -0.5263 0.0536 0.0536 0.3845 0.3845 0.7454 0.7454 1.0367 1.0367 1.3858 1.3858 4.6856 4.6856 4.8784 4.8784 4.9659 4.9659 5.5841 5.5841 5.8107 5.8107 10.5289 10.5289 12.6342 12.6342 k = 0.2599 0.4501-0.0000 ( 2273 PWs) bands (ev): -10.6993 -10.6993 -10.4865 -10.4865 -0.5163 -0.5163 0.0551 0.0551 0.4129 0.4129 0.7180 0.7180 1.0537 1.0537 1.4213 1.4213 4.6826 4.6826 4.8765 4.8765 4.9637 4.9637 5.5811 5.5811 5.8235 5.8235 10.5505 10.5505 12.5731 12.5731 k = 0.2542 0.4404-0.0000 ( 2273 PWs) bands (ev): -10.7166 -10.7166 -10.4843 -10.4843 -0.5036 -0.5036 0.0579 0.0579 0.4378 0.4378 0.6935 0.6935 1.0722 1.0722 1.4576 1.4576 4.6794 4.6794 4.8747 4.8747 4.9619 4.9619 5.5784 5.5784 5.8353 5.8353 10.5737 10.5737 12.5092 12.5092 k = 0.2486 0.4306-0.0000 ( 2269 PWs) bands (ev): -10.7346 -10.7346 -10.4825 -10.4825 -0.4882 -0.4882 0.0620 0.0620 0.4569 0.4569 0.6742 0.6742 1.0921 1.0921 1.4945 1.4945 4.6758 4.6758 4.8728 4.8728 4.9606 4.9606 5.5762 5.5762 5.8462 5.8462 10.5983 10.5983 12.4429 12.4429 k = 0.2429 0.4208-0.0000 ( 2273 PWs) bands (ev): -10.7533 -10.7533 -10.4811 -10.4811 -0.4704 -0.4704 0.0675 0.0675 0.4670 0.4670 0.6635 0.6635 1.1136 1.1136 1.5320 1.5320 4.6718 4.6718 4.8704 4.8704 4.9599 4.9599 5.5743 5.5743 5.8558 5.8558 10.6242 10.6242 12.3745 12.3745 k = 0.2373 0.4110-0.0000 ( 2277 PWs) bands (ev): -10.7727 -10.7727 -10.4802 -10.4802 -0.4502 -0.4502 0.0744 0.0744 0.4658 0.4658 0.6637 0.6637 1.1364 1.1364 1.5699 1.5699 4.6676 4.6676 4.8676 4.8676 4.9598 4.9598 5.5728 5.5728 5.8641 5.8641 10.6510 10.6510 12.3045 12.3045 k = 0.2316 0.4012-0.0000 ( 2281 PWs) bands (ev): -10.7926 -10.7926 -10.4796 -10.4796 -0.4282 -0.4282 0.0828 0.0828 0.4546 0.4546 0.6742 0.6742 1.1606 1.1606 1.6082 1.6082 4.6634 4.6634 4.8641 4.8641 4.9603 4.9603 5.5717 5.5717 5.8711 5.8711 10.6783 10.6783 12.2334 12.2334 k = 0.2260 0.3914-0.0000 ( 2281 PWs) bands (ev): -10.8131 -10.8131 -10.4795 -10.4795 -0.4047 -0.4047 0.0927 0.0927 0.4369 0.4369 0.6918 0.6918 1.1862 1.1862 1.6469 1.6469 4.6590 4.6590 4.8599 4.8599 4.9615 4.9615 5.5712 5.5712 5.8765 5.8765 10.7057 10.7057 12.1619 12.1619 k = 0.2203 0.3816-0.0000 ( 2281 PWs) bands (ev): -10.8341 -10.8341 -10.4798 -10.4798 -0.3803 -0.3803 0.1041 0.1041 0.4165 0.4165 0.7131 0.7131 1.2131 1.2131 1.6858 1.6858 4.6547 4.6547 4.8550 4.8550 4.9632 4.9632 5.5713 5.5713 5.8805 5.8805 10.7325 10.7325 12.0909 12.0909 k = 0.2147 0.3719-0.0000 ( 2283 PWs) bands (ev): -10.8556 -10.8556 -10.4805 -10.4805 -0.3559 -0.3559 0.1172 0.1172 0.3964 0.3964 0.7362 0.7362 1.2412 1.2412 1.7248 1.7248 4.6505 4.6505 4.8492 4.8492 4.9652 4.9652 5.5720 5.5720 5.8829 5.8829 10.7577 10.7577 12.0213 12.0213 k = 0.2090 0.3621-0.0000 ( 2283 PWs) bands (ev): -10.8775 -10.8775 -10.4816 -10.4816 -0.3326 -0.3326 0.1318 0.1318 0.3788 0.3788 0.7599 0.7599 1.2706 1.2706 1.7640 1.7640 4.6464 4.6464 4.8428 4.8428 4.9673 4.9673 5.5733 5.5733 5.8837 5.8837 10.7803 10.7803 11.9545 11.9545 k = 0.2034 0.3523-0.0000 ( 2283 PWs) bands (ev): -10.8997 -10.8997 -10.4831 -10.4831 -0.3115 -0.3115 0.1480 0.1480 0.3655 0.3655 0.7834 0.7834 1.3012 1.3012 1.8031 1.8031 4.6426 4.6426 4.8357 4.8357 4.9693 4.9693 5.5754 5.5754 5.8830 5.8830 10.7985 10.7985 11.8922 11.8922 k = 0.1977 0.3425-0.0000 ( 2283 PWs) bands (ev): -10.9221 -10.9221 -10.4849 -10.4849 -0.2942 -0.2942 0.1658 0.1658 0.3583 0.3583 0.8063 0.8063 1.3328 1.3328 1.8421 1.8421 4.6389 4.6389 4.8280 4.8280 4.9712 4.9712 5.5782 5.5782 5.8809 5.8809 10.8105 10.8105 11.8364 11.8364 k = 0.1921 0.3327-0.0000 ( 2275 PWs) bands (ev): -10.9448 -10.9448 -10.4871 -10.4871 -0.2820 -0.2820 0.1854 0.1854 0.3589 0.3589 0.8284 0.8284 1.3655 1.3655 1.8811 1.8811 4.6355 4.6355 4.8198 4.8198 4.9726 4.9726 5.5818 5.5818 5.8773 5.8773 10.8138 10.8138 11.7897 11.7897 k = 0.1864 0.3229-0.0000 ( 2275 PWs) bands (ev): -10.9677 -10.9677 -10.4896 -10.4896 -0.2761 -0.2761 0.2067 0.2067 0.3684 0.3684 0.8495 0.8495 1.3991 1.3991 1.9197 1.9197 4.6324 4.6324 4.8109 4.8109 4.9734 4.9734 5.5863 5.5863 5.8724 5.8724 10.8062 10.8062 11.7544 11.7544 k = 0.1808 0.3131-0.0000 ( 2263 PWs) bands (ev): -10.9907 -10.9907 -10.4925 -10.4925 -0.2771 -0.2771 0.2296 0.2296 0.3876 0.3876 0.8695 0.8695 1.4337 1.4337 1.9581 1.9581 4.6296 4.6296 4.8018 4.8018 4.9736 4.9736 5.5917 5.5917 5.8664 5.8664 10.7857 10.7857 11.7328 11.7328 k = 0.1751 0.3034-0.0000 ( 2263 PWs) bands (ev): -11.0137 -11.0137 -10.4956 -10.4956 -0.2847 -0.2847 0.2541 0.2541 0.4163 0.4163 0.8883 0.8883 1.4691 1.4691 1.9960 1.9960 4.6270 4.6270 4.7921 4.7921 4.9729 4.9729 5.5978 5.5978 5.8592 5.8592 10.7513 10.7513 11.7258 11.7258 k = 0.1695 0.2936-0.0000 ( 2261 PWs) bands (ev): -11.0367 -11.0367 -10.4990 -10.4990 -0.2984 -0.2984 0.2799 0.2799 0.4540 0.4540 0.9059 0.9059 1.5052 1.5052 2.0334 2.0334 4.6246 4.6246 4.7820 4.7820 4.9714 4.9714 5.6048 5.6048 5.8510 5.8510 10.7032 10.7032 11.7333 11.7334 k = 0.1638 0.2838-0.0000 ( 2259 PWs) bands (ev): -11.0596 -11.0596 -10.5026 -10.5026 -0.3170 -0.3170 0.3069 0.3069 0.4998 0.4998 0.9222 0.9222 1.5420 1.5420 2.0702 2.0702 4.6224 4.6224 4.7716 4.7716 4.9690 4.9690 5.6126 5.6126 5.8421 5.8421 10.6431 10.6431 11.7541 11.7541 k = 0.1582 0.2740-0.0000 ( 2263 PWs) bands (ev): -11.0823 -11.0823 -10.5065 -10.5065 -0.3395 -0.3395 0.3350 0.3350 0.5525 0.5525 0.9373 0.9373 1.5793 1.5793 2.1063 2.1063 4.6205 4.6205 4.7608 4.7608 4.9656 4.9656 5.6210 5.6210 5.8326 5.8326 10.5726 10.5726 11.7862 11.7862 k = 0.1525 0.2642-0.0000 ( 2263 PWs) bands (ev): -11.1049 -11.1049 -10.5105 -10.5105 -0.3649 -0.3649 0.3640 0.3640 0.6111 0.6111 0.9513 0.9513 1.6170 1.6170 2.1416 2.1416 4.6186 4.6186 4.7498 4.7498 4.9614 4.9614 5.6301 5.6301 5.8228 5.8228 10.4939 10.4939 11.8277 11.8277 k = 0.1469 0.2544-0.0000 ( 2267 PWs) bands (ev): -11.1272 -11.1272 -10.5147 -10.5147 -0.3924 -0.3924 0.3939 0.3939 0.6745 0.6745 0.9642 0.9642 1.6550 1.6550 2.1760 2.1760 4.6169 4.6169 4.7385 4.7385 4.9563 4.9563 5.6398 5.6398 5.8127 5.8127 10.4088 10.4088 11.8770 11.8770 k = 0.1412 0.2446-0.0000 ( 2265 PWs) bands (ev): -11.1492 -11.1492 -10.5191 -10.5191 -0.4212 -0.4212 0.4246 0.4246 0.7419 0.7419 0.9763 0.9763 1.6932 1.6932 2.2094 2.2094 4.6152 4.6152 4.7270 4.7270 4.9502 4.9502 5.6499 5.6499 5.8028 5.8028 10.3187 10.3187 11.9316 11.9316 k = 0.1356 0.2349-0.0000 ( 2261 PWs) bands (ev): -11.1708 -11.1708 -10.5235 -10.5235 -0.4508 -0.4508 0.4560 0.4560 0.8123 0.8123 0.9877 0.9877 1.7315 1.7315 2.2418 2.2418 4.6136 4.6136 4.7154 4.7154 4.9434 4.9434 5.6604 5.6604 5.7931 5.7931 10.2250 10.2250 11.9475 11.9475 k = 0.1299 0.2251-0.0000 ( 2265 PWs) bands (ev): -11.1919 -11.1919 -10.5280 -10.5280 -0.4808 -0.4808 0.4880 0.4880 0.8840 0.8840 0.9995 0.9995 1.7697 1.7697 2.2730 2.2730 4.6119 4.6119 4.7036 4.7036 4.9358 4.9358 5.6711 5.6711 5.7839 5.7839 10.1286 10.1286 11.8454 11.8454 k = 0.1243 0.2153-0.0000 ( 2269 PWs) bands (ev): -11.2126 -11.2126 -10.5326 -10.5326 -0.5109 -0.5109 0.5205 0.5205 0.9518 0.9518 1.0167 1.0167 1.8078 1.8078 2.3029 2.3029 4.6100 4.6100 4.6918 4.6918 4.9275 4.9275 5.6818 5.6818 5.7754 5.7754 10.0304 10.0304 11.7380 11.7380 k = 0.1186 0.2055-0.0000 ( 2269 PWs) bands (ev): -11.2327 -11.2327 -10.5373 -10.5373 -0.5407 -0.5407 0.5534 0.5534 0.9926 0.9926 1.0619 1.0619 1.8455 1.8455 2.3314 2.3314 4.6079 4.6079 4.6800 4.6800 4.9187 4.9187 5.6925 5.6925 5.7678 5.7678 9.9312 9.9312 11.6307 11.6307 k = 0.1130 0.1957-0.0000 ( 2273 PWs) bands (ev): -11.2523 -11.2523 -10.5419 -10.5419 -0.5700 -0.5700 0.5865 0.5865 1.0069 1.0069 1.1342 1.1342 1.8826 1.8826 2.3585 2.3585 4.6056 4.6056 4.6682 4.6682 4.9093 4.9093 5.7031 5.7031 5.7613 5.7613 9.8315 9.8315 11.5241 11.5241 k = 0.1073 0.1859-0.0000 ( 2273 PWs) bands (ev): -11.2712 -11.2712 -10.5465 -10.5465 -0.5987 -0.5987 0.6197 0.6197 1.0149 1.0149 1.2131 1.2131 1.9192 1.9192 2.3840 2.3840 4.6029 4.6029 4.6566 4.6566 4.8995 4.8995 5.7132 5.7132 5.7562 5.7562 9.7320 9.7320 11.4186 11.4186 k = 0.1017 0.1761-0.0000 ( 2275 PWs) bands (ev): -11.2894 -11.2894 -10.5510 -10.5510 -0.6265 -0.6265 0.6528 0.6528 1.0207 1.0207 1.2939 1.2939 1.9550 1.9550 2.4079 2.4079 4.5998 4.5998 4.6452 4.6452 4.8894 4.8894 5.7227 5.7227 5.7529 5.7529 9.6333 9.6333 11.3144 11.3144 k = 0.0960 0.1664-0.0000 ( 2275 PWs) bands (ev): -11.3069 -11.3069 -10.5555 -10.5555 -0.6533 -0.6533 0.6857 0.6857 1.0254 1.0254 1.3755 1.3755 1.9899 1.9899 2.4302 2.4302 4.5960 4.5960 4.6342 4.6342 4.8790 4.8790 5.7307 5.7307 5.7520 5.7520 9.5358 9.5358 11.2120 11.2120 k = 0.0904 0.1566-0.0000 ( 2279 PWs) bands (ev): -11.3236 -11.3236 -10.5598 -10.5598 -0.6791 -0.6791 0.7182 0.7182 1.0292 1.0292 1.4570 1.4570 2.0237 2.0237 2.4507 2.4507 4.5916 4.5916 4.6236 4.6236 4.8685 4.8685 5.7364 5.7364 5.7544 5.7544 9.4402 9.4402 11.1117 11.1117 k = 0.0847 0.1468-0.0000 ( 2283 PWs) bands (ev): -11.3395 -11.3395 -10.5641 -10.5641 -0.7037 -0.7037 0.7501 0.7501 1.0324 1.0324 1.5380 1.5380 2.0564 2.0564 2.4695 2.4695 4.5863 4.5863 4.6136 4.6136 4.8581 4.8581 5.7400 5.7400 5.7600 5.7600 9.3469 9.3469 11.0139 11.0139 k = 0.0791 0.1370-0.0000 ( 2283 PWs) bands (ev): -11.3546 -11.3546 -10.5681 -10.5681 -0.7271 -0.7271 0.7812 0.7812 1.0351 1.0351 1.6178 1.6178 2.0878 2.0878 2.4865 2.4865 4.5802 4.5802 4.6043 4.6043 4.8478 4.8478 5.7430 5.7430 5.7671 5.7671 9.2564 9.2564 10.9191 10.9191 k = 0.0734 0.1272-0.0000 ( 2275 PWs) bands (ev): -11.3687 -11.3687 -10.5720 -10.5720 -0.7491 -0.7491 0.8114 0.8114 1.0373 1.0373 1.6959 1.6959 2.1178 2.1178 2.5018 2.5018 4.5733 4.5733 4.5955 4.5955 4.8379 4.8379 5.7466 5.7466 5.7743 5.7743 9.1693 9.1693 10.8276 10.8276 k = 0.0678 0.1174-0.0000 ( 2275 PWs) bands (ev): -11.3820 -11.3820 -10.5757 -10.5757 -0.7697 -0.7697 0.8403 0.8403 1.0392 1.0392 1.7717 1.7717 2.1463 2.1463 2.5155 2.5155 4.5658 4.5658 4.5872 4.5872 4.8282 4.8282 5.7510 5.7510 5.7813 5.7813 9.0861 9.0861 10.7401 10.7401 k = 0.0621 0.1076-0.0000 ( 2275 PWs) bands (ev): -11.3943 -11.3943 -10.5792 -10.5792 -0.7888 -0.7888 0.8679 0.8679 1.0409 1.0409 1.8446 1.8446 2.1733 2.1733 2.5274 2.5274 4.5581 4.5581 4.5789 4.5789 4.8191 4.8191 5.7564 5.7564 5.7878 5.7878 9.0072 9.0072 10.6568 10.6568 k = 0.0565 0.0979-0.0000 ( 2275 PWs) bands (ev): -11.4056 -11.4056 -10.5824 -10.5824 -0.8064 -0.8064 0.8937 0.8937 1.0425 1.0425 1.9139 1.9139 2.1988 2.1988 2.5379 2.5379 4.5505 4.5505 4.5706 4.5706 4.8106 4.8106 5.7625 5.7625 5.7937 5.7937 8.9333 8.9333 10.5785 10.5785 k = 0.0508 0.0881-0.0000 ( 2285 PWs) bands (ev): -11.4160 -11.4160 -10.5854 -10.5854 -0.8225 -0.8225 0.9176 0.9176 1.0440 1.0440 1.9788 1.9788 2.2227 2.2227 2.5468 2.5468 4.5430 4.5430 4.5622 4.5622 4.8028 4.8028 5.7692 5.7692 5.7990 5.7990 8.8646 8.8646 10.5055 10.5055 k = 0.0452 0.0783-0.0000 ( 2289 PWs) bands (ev): -11.4253 -11.4253 -10.5881 -10.5881 -0.8370 -0.8370 0.9393 0.9393 1.0456 1.0456 2.0383 2.0383 2.2453 2.2453 2.5545 2.5545 4.5361 4.5361 4.5537 4.5537 4.7957 4.7957 5.7762 5.7762 5.8037 5.8037 8.8018 8.8018 10.4385 10.4385 k = 0.0395 0.0685-0.0000 ( 2289 PWs) bands (ev): -11.4335 -11.4335 -10.5905 -10.5905 -0.8498 -0.8498 0.9584 0.9584 1.0476 1.0476 2.0918 2.0918 2.2667 2.2667 2.5609 2.5609 4.5298 4.5298 4.5453 4.5453 4.7896 4.7896 5.7832 5.7832 5.8079 5.8079 8.7453 8.7453 10.3778 10.3778 k = 0.0339 0.0587-0.0000 ( 2297 PWs) bands (ev): -11.4407 -11.4407 -10.5927 -10.5927 -0.8610 -0.8610 0.9747 0.9747 1.0499 1.0499 2.1380 2.1380 2.2870 2.2870 2.5662 2.5662 4.5240 4.5240 4.5372 4.5372 4.7842 4.7842 5.7899 5.7899 5.8116 5.8116 8.6954 8.6954 10.3241 10.3241 k = 0.0282 0.0489-0.0000 ( 2301 PWs) bands (ev): -11.4469 -11.4469 -10.5945 -10.5945 -0.8705 -0.8705 0.9879 0.9879 1.0528 1.0528 2.1763 2.1763 2.3065 2.3065 2.5705 2.5705 4.5189 4.5189 4.5298 4.5298 4.7797 4.7797 5.7960 5.7960 5.8148 5.8148 8.6525 8.6525 10.2778 10.2778 k = 0.0226 0.0391-0.0000 ( 2305 PWs) bands (ev): -11.4519 -11.4519 -10.5960 -10.5960 -0.8783 -0.8783 0.9978 0.9978 1.0561 1.0561 2.2062 2.2062 2.3248 2.3248 2.5740 2.5740 4.5145 4.5145 4.5233 4.5233 4.7761 4.7761 5.8011 5.8011 5.8177 5.8177 8.6169 8.6169 10.2392 10.2392 k = 0.0169 0.0294-0.0000 ( 2309 PWs) bands (ev): -11.4558 -11.4558 -10.5972 -10.5972 -0.8844 -0.8844 1.0048 1.0048 1.0596 1.0596 2.2280 2.2280 2.3411 2.3411 2.5767 2.5767 4.5107 4.5107 4.5182 4.5182 4.7733 4.7733 5.8051 5.8051 5.8202 5.8202 8.5890 8.5890 10.2089 10.2089 k = 0.0113 0.0196-0.0000 ( 2309 PWs) bands (ev): -11.4586 -11.4586 -10.5980 -10.5980 -0.8888 -0.8888 1.0093 1.0093 1.0628 1.0628 2.2426 2.2426 2.3541 2.3541 2.5786 2.5786 4.5077 4.5077 4.5147 4.5147 4.7713 4.7713 5.8078 5.8078 5.8223 5.8223 8.5689 8.5689 10.1869 10.1869 k = 0.0056 0.0098-0.0000 ( 2305 PWs) bands (ev): -11.4603 -11.4603 -10.5985 -10.5985 -0.8914 -0.8914 1.0118 1.0118 1.0649 1.0649 2.2509 2.2509 2.3625 2.3625 2.5797 2.5797 4.5057 4.5057 4.5127 4.5127 4.7701 4.7701 5.8095 5.8095 5.8236 5.8236 8.5567 8.5567 10.1737 10.1737 k = 0.0000 0.0000 0.0000 ( 2297 PWs) bands (ev): -11.4608 -11.4608 -10.5987 -10.5987 -0.8922 -0.8922 1.0125 1.0125 1.0657 1.0657 2.2536 2.2536 2.3654 2.3654 2.5801 2.5801 4.5050 4.5050 4.5120 4.5120 4.7698 4.7698 5.8100 5.8100 5.8242 5.8242 8.5527 8.5527 10.1693 10.1693 k = 0.0000 0.0000 0.0000 ( 2297 PWs) bands (ev): -11.4608 -11.4608 -10.5987 -10.5987 -0.8922 -0.8922 1.0125 1.0125 1.0657 1.0657 2.2536 2.2536 2.3654 2.3654 2.5801 2.5801 4.5050 4.5050 4.5120 4.5120 4.7698 4.7698 5.8100 5.8100 5.8242 5.8242 8.5527 8.5527 10.1693 10.1693 k = 0.0000 0.0000 0.0112 ( 2297 PWs) bands (ev): -11.4604 -11.4604 -10.5993 -10.5993 -0.8904 -0.8904 1.0127 1.0127 1.0658 1.0658 2.2532 2.2532 2.3651 2.3651 2.5767 2.5767 4.5050 4.5050 4.5120 4.5120 4.7701 4.7701 5.8103 5.8103 5.8244 5.8244 8.5563 8.5563 10.1699 10.1699 k = 0.0000 0.0000 0.0223 ( 2297 PWs) bands (ev): -11.4591 -11.4591 -10.6010 -10.6010 -0.8850 -0.8850 1.0132 1.0132 1.0663 1.0663 2.2519 2.2519 2.3642 2.3642 2.5665 2.5665 4.5050 4.5050 4.5120 4.5120 4.7708 4.7708 5.8111 5.8111 5.8252 5.8252 8.5671 8.5671 10.1717 10.1717 k = 0.0000 0.0000 0.0335 ( 2297 PWs) bands (ev): -11.4570 -11.4570 -10.6039 -10.6039 -0.8759 -0.8759 1.0140 1.0140 1.0671 1.0671 2.2496 2.2496 2.3627 2.3627 2.5497 2.5497 4.5050 4.5050 4.5119 4.5119 4.7720 4.7720 5.8124 5.8124 5.8265 5.8265 8.5849 8.5849 10.1748 10.1748 k = 0.0000 0.0000 0.0447 ( 2303 PWs) bands (ev): -11.4541 -11.4541 -10.6079 -10.6079 -0.8633 -0.8633 1.0151 1.0151 1.0682 1.0682 2.2464 2.2464 2.3606 2.3606 2.5266 2.5266 4.5050 4.5050 4.5117 4.5117 4.7736 4.7736 5.8142 5.8142 5.8282 5.8282 8.6097 8.6097 10.1790 10.1790 k = 0.0000 0.0000 0.0558 ( 2291 PWs) bands (ev): -11.4504 -11.4504 -10.6130 -10.6130 -0.8471 -0.8471 1.0165 1.0165 1.0696 1.0696 2.2421 2.2421 2.3581 2.3581 2.4978 2.4978 4.5051 4.5051 4.5117 4.5117 4.7756 4.7756 5.8166 5.8166 5.8304 5.8304 8.6410 8.6410 10.1842 10.1842 k = 0.0000 0.0000 0.0670 ( 2285 PWs) bands (ev): -11.4458 -11.4458 -10.6191 -10.6191 -0.8275 -0.8275 1.0182 1.0182 1.0712 1.0712 2.2364 2.2364 2.3550 2.3550 2.4637 2.4637 4.5051 4.5051 4.5115 4.5115 4.7780 4.7780 5.8194 5.8194 5.8331 5.8331 8.6786 8.6786 10.1905 10.1905 k = 0.0000 0.0000 0.0781 ( 2285 PWs) bands (ev): -11.4405 -11.4405 -10.6262 -10.6262 -0.8045 -0.8045 1.0201 1.0201 1.0731 1.0731 2.2288 2.2288 2.3514 2.3514 2.4254 2.4254 4.5051 4.5051 4.5113 4.5113 4.7806 4.7806 5.8226 5.8226 5.8362 5.8362 8.7222 8.7222 10.1977 10.1977 k = 0.0000 0.0000 0.0893 ( 2285 PWs) bands (ev): -11.4345 -11.4345 -10.6343 -10.6343 -0.7782 -0.7782 1.0223 1.0223 1.0753 1.0753 2.2181 2.2181 2.3473 2.3473 2.3845 2.3845 4.5050 4.5050 4.5111 4.5111 4.7833 4.7833 5.8262 5.8262 5.8396 5.8396 8.7712 8.7712 10.2057 10.2057 k = 0.0000 0.0000 0.1005 ( 2285 PWs) bands (ev): -11.4277 -11.4277 -10.6433 -10.6433 -0.7488 -0.7488 1.0247 1.0247 1.0776 1.0776 2.2023 2.2023 2.3429 2.3429 2.3438 2.3438 4.5050 4.5050 4.5108 4.5108 4.7861 4.7861 5.8301 5.8301 5.8433 5.8433 8.8253 8.8253 10.2142 10.2142 k = 0.0000 0.0000 0.1116 ( 2285 PWs) bands (ev): -11.4203 -11.4203 -10.6531 -10.6531 -0.7163 -0.7163 1.0273 1.0273 1.0802 1.0802 2.1774 2.1774 2.3074 2.3074 2.3382 2.3382 4.5049 4.5049 4.5105 4.5105 4.7890 4.7890 5.8343 5.8343 5.8473 5.8473 8.8839 8.8839 10.2232 10.2232 k = 0.0000 0.0000 0.1228 ( 2279 PWs) bands (ev): -11.4123 -11.4123 -10.6637 -10.6637 -0.6809 -0.6809 1.0300 1.0300 1.0829 1.0829 2.1400 2.1400 2.2797 2.2797 2.3332 2.3332 4.5048 4.5048 4.5102 4.5102 4.7918 4.7918 5.8387 5.8387 5.8516 5.8516 8.9464 8.9464 10.2325 10.2325 k = 0.0000 0.0000 0.1340 ( 2285 PWs) bands (ev): -11.4037 -11.4037 -10.6749 -10.6749 -0.6429 -0.6429 1.0329 1.0329 1.0857 1.0857 2.0906 2.0906 2.2606 2.2606 2.3280 2.3280 4.5047 4.5047 4.5099 4.5099 4.7946 4.7946 5.8433 5.8433 5.8560 5.8560 9.0123 9.0123 10.2418 10.2418 k = 0.0000 0.0000 0.1451 ( 2285 PWs) bands (ev): -11.3946 -11.3946 -10.6867 -10.6867 -0.6023 -0.6023 1.0359 1.0359 1.0886 1.0886 2.0329 2.0329 2.2471 2.2471 2.3226 2.3226 4.5046 4.5046 4.5095 4.5095 4.7973 4.7973 5.8480 5.8480 5.8605 5.8605 9.0811 9.0811 10.2510 10.2510 k = 0.0000 0.0000 0.1563 ( 2285 PWs) bands (ev): -11.3851 -11.3851 -10.6989 -10.6989 -0.5595 -0.5595 1.0389 1.0389 1.0916 1.0916 1.9699 1.9699 2.2367 2.2367 2.3171 2.3171 4.5044 4.5044 4.5092 4.5092 4.7999 4.7999 5.8528 5.8528 5.8651 5.8651 9.1521 9.1521 10.2597 10.2597 k = 0.0000 0.0000 0.1674 ( 2273 PWs) bands (ev): -11.3753 -11.3753 -10.7115 -10.7115 -0.5147 -0.5147 1.0420 1.0420 1.0946 1.0946 1.9037 1.9037 2.2280 2.2280 2.3117 2.3117 4.5043 4.5043 4.5089 4.5089 4.8025 4.8025 5.8576 5.8576 5.8697 5.8697 9.2246 9.2246 10.2676 10.2676 k = 0.0000 0.0000 0.1786 ( 2273 PWs) bands (ev): -11.3652 -11.3652 -10.7243 -10.7243 -0.4683 -0.4683 1.0450 1.0450 1.0976 1.0976 1.8357 1.8357 2.2204 2.2204 2.3062 2.3062 4.5042 4.5042 4.5086 4.5086 4.8048 4.8048 5.8623 5.8623 5.8743 5.8743 9.2980 9.2980 10.2746 10.2746 k = 0.0000 0.0000 0.1898 ( 2268 PWs) bands (ev): -11.3550 -11.3550 -10.7371 -10.7371 -0.4206 -0.4206 1.0480 1.0480 1.1006 1.1006 1.7667 1.7667 2.2135 2.2135 2.3009 2.3009 4.5041 4.5041 4.5083 4.5083 4.8070 4.8070 5.8670 5.8670 5.8787 5.8787 9.3718 9.3718 10.2803 10.2803 k = 0.0000 0.0000 0.2009 ( 2274 PWs) bands (ev): -11.3447 -11.3447 -10.7498 -10.7498 -0.3721 -0.3721 1.0509 1.0509 1.1034 1.1034 1.6979 1.6979 2.2073 2.2073 2.2958 2.2958 4.5038 4.5038 4.5079 4.5079 4.8089 4.8089 5.8713 5.8713 5.8829 5.8829 9.4450 9.4450 10.2843 10.2843 k = 0.0000 0.0000 0.2121 ( 2274 PWs) bands (ev): -11.3346 -11.3346 -10.7623 -10.7623 -0.3234 -0.3234 1.0537 1.0537 1.1061 1.1061 1.6300 1.6300 2.2016 2.2016 2.2910 2.2910 4.5037 4.5037 4.5076 4.5076 4.8107 4.8107 5.8755 5.8755 5.8869 5.8869 9.5171 9.5171 10.2864 10.2864 k = 0.0000 0.0000 0.2233 ( 2274 PWs) bands (ev): -11.3248 -11.3248 -10.7743 -10.7743 -0.2751 -0.2751 1.0563 1.0563 1.1087 1.1087 1.5639 1.5639 2.1964 2.1964 2.2864 2.2864 4.5035 4.5035 4.5074 4.5074 4.8122 4.8122 5.8794 5.8794 5.8906 5.8906 9.5873 9.5873 10.2864 10.2864 k = 0.0000 0.0000 0.2344 ( 2286 PWs) bands (ev): -11.3155 -11.3155 -10.7857 -10.7857 -0.2281 -0.2281 1.0587 1.0587 1.1110 1.1110 1.5007 1.5007 2.1917 2.1917 2.2823 2.2823 4.5033 4.5033 4.5071 4.5071 4.8134 4.8134 5.8829 5.8829 5.8940 5.8940 9.6547 9.6547 10.2839 10.2839 k = 0.0000 0.0000 0.2456 ( 2298 PWs) bands (ev): -11.3068 -11.3068 -10.7962 -10.7962 -0.1831 -0.1831 1.0608 1.0608 1.1131 1.1131 1.4415 1.4415 2.1876 2.1876 2.2785 2.2785 4.5031 4.5031 4.5067 4.5067 4.8144 4.8144 5.8861 5.8861 5.8971 5.8971 9.7185 9.7185 10.2789 10.2789 k = 0.0000 0.0000 0.2567 ( 2298 PWs) bands (ev): -11.2989 -11.2989 -10.8057 -10.8057 -0.1415 -0.1415 1.0628 1.0628 1.1149 1.1149 1.3876 1.3876 2.1841 2.1841 2.2753 2.2753 4.5030 4.5030 4.5065 4.5065 4.8154 4.8154 5.8888 5.8888 5.8997 5.8997 9.7777 9.7777 10.2714 10.2714 k = 0.0000 0.0000 0.2679 ( 2298 PWs) bands (ev): -11.2921 -11.2921 -10.8138 -10.8138 -0.1045 -0.1045 1.0644 1.0644 1.1165 1.1165 1.3403 1.3403 2.1811 2.1811 2.2726 2.2726 4.5029 4.5029 4.5064 4.5064 4.8162 4.8162 5.8911 5.8911 5.9019 5.9019 9.8309 9.8309 10.2618 10.2618 k = 0.0000 0.0000 0.2791 ( 2298 PWs) bands (ev): -11.2866 -11.2866 -10.8203 -10.8203 -0.0736 -0.0736 1.0657 1.0657 1.1177 1.1177 1.3013 1.3013 2.1788 2.1788 2.2704 2.2704 4.5028 4.5028 4.5062 4.5062 4.8169 4.8169 5.8930 5.8930 5.9037 5.9037 9.8766 9.8766 10.2510 10.2510 k = 0.0000 0.0000 0.2902 ( 2304 PWs) bands (ev): -11.2825 -11.2825 -10.8252 -10.8252 -0.0501 -0.0501 1.0667 1.0667 1.1186 1.1186 1.2720 1.2720 2.1771 2.1771 2.2689 2.2689 4.5027 4.5027 4.5061 4.5061 4.8171 4.8171 5.8943 5.8943 5.9049 5.9049 9.9126 9.9126 10.2403 10.2403 k = 0.0000 0.0000 0.3014 ( 2304 PWs) bands (ev): -11.2799 -11.2799 -10.8282 -10.8282 -0.0354 -0.0354 1.0673 1.0673 1.1191 1.1191 1.2538 1.2538 2.1761 2.1761 2.2679 2.2679 4.5027 4.5027 4.5061 4.5061 4.8174 4.8174 5.8951 5.8951 5.9057 5.9057 9.9362 9.9362 10.2322 10.2322 k = 0.0000 0.0000 0.3126 ( 2292 PWs) bands (ev): -11.2791 -11.2791 -10.8292 -10.8292 -0.0304 -0.0304 1.0675 1.0675 1.1194 1.1194 1.2476 1.2476 2.1758 2.1758 2.2676 2.2676 4.5028 4.5028 4.5062 4.5062 4.8175 4.8175 5.8954 5.8954 5.9060 5.9060 9.9444 9.9444 10.2292 10.2292 k = 0.0000 0.0000 0.3126 ( 2292 PWs) bands (ev): -11.2791 -11.2791 -10.8292 -10.8292 -0.0304 -0.0304 1.0675 1.0675 1.1194 1.1194 1.2476 1.2476 2.1758 2.1758 2.2676 2.2676 4.5028 4.5028 4.5062 4.5062 4.8175 4.8175 5.8954 5.8954 5.9060 5.9060 9.9444 9.9445 10.2292 10.2292 k = 0.0098 0.0057 0.3126 ( 2300 PWs) bands (ev): -11.2786 -11.2786 -10.8289 -10.8289 -0.0302 -0.0302 1.0612 1.0612 1.1127 1.1127 1.2598 1.2598 2.1736 2.1736 2.2653 2.2653 4.5034 4.5034 4.5068 4.5068 4.8182 4.8182 5.8942 5.8942 5.9049 5.9049 9.9468 9.9468 10.2335 10.2335 k = 0.0196 0.0113 0.3126 ( 2300 PWs) bands (ev): -11.2770 -11.2770 -10.8281 -10.8281 -0.0295 -0.0295 1.0398 1.0398 1.1032 1.1032 1.2884 1.2884 2.1667 2.1667 2.2585 2.2585 4.5053 4.5053 4.5090 4.5090 4.8201 4.8201 5.8900 5.8900 5.9022 5.9022 9.9538 9.9538 10.2466 10.2466 k = 0.0294 0.0170 0.3126 ( 2300 PWs) bands (ev): -11.2745 -11.2745 -10.8268 -10.8268 -0.0284 -0.0284 1.0057 1.0057 1.0984 1.0984 1.3236 1.3236 2.1549 2.1549 2.2478 2.2478 4.5077 4.5077 4.5130 4.5130 4.8234 4.8234 5.8821 5.8821 5.8988 5.8988 9.9654 9.9654 10.2682 10.2682 k = 0.0392 0.0226 0.3126 ( 2296 PWs) bands (ev): -11.2709 -11.2709 -10.8249 -10.8249 -0.0268 -0.0268 0.9651 0.9651 1.0963 1.0963 1.3610 1.3610 2.1375 2.1375 2.2342 2.2342 4.5105 4.5105 4.5191 4.5191 4.8281 4.8281 5.8705 5.8705 5.8951 5.8951 9.9815 9.9815 10.2981 10.2981 k = 0.0490 0.0283 0.3126 ( 2302 PWs) bands (ev): -11.2663 -11.2663 -10.8225 -10.8225 -0.0249 -0.0249 0.9216 0.9216 1.0952 1.0952 1.3988 1.3988 2.1142 2.1142 2.2185 2.2185 4.5135 4.5135 4.5269 4.5269 4.8339 4.8339 5.8554 5.8554 5.8909 5.8909 10.0017 10.0017 10.3358 10.3358 k = 0.0588 0.0340 0.3126 ( 2298 PWs) bands (ev): -11.2607 -11.2607 -10.8197 -10.8197 -0.0227 -0.0227 0.8764 0.8764 1.0946 1.0946 1.4361 1.4361 2.0848 2.0848 2.2015 2.2015 4.5165 4.5165 4.5363 4.5363 4.8411 4.8411 5.8375 5.8375 5.8861 5.8861 10.0258 10.0258 10.3808 10.3808 k = 0.0686 0.0396 0.3126 ( 2298 PWs) bands (ev): -11.2542 -11.2542 -10.8163 -10.8163 -0.0204 -0.0204 0.8302 0.8302 1.0942 1.0942 1.4725 1.4725 2.0495 2.0495 2.1835 2.1835 4.5194 4.5194 4.5472 4.5472 4.8493 4.8493 5.8172 5.8172 5.8808 5.8808 10.0535 10.0535 10.4326 10.4326 k = 0.0784 0.0453 0.3126 ( 2302 PWs) bands (ev): -11.2466 -11.2466 -10.8124 -10.8124 -0.0179 -0.0179 0.7835 0.7835 1.0938 1.0938 1.5075 1.5075 2.0092 2.0092 2.1646 2.1646 4.5220 4.5220 4.5592 4.5592 4.8586 4.8586 5.7951 5.7951 5.8748 5.8748 10.0842 10.0842 10.4904 10.4904 k = 0.0882 0.0509 0.3126 ( 2294 PWs) bands (ev): -11.2382 -11.2382 -10.8080 -10.8080 -0.0155 -0.0155 0.7365 0.7365 1.0936 1.0936 1.5408 1.5408 1.9645 1.9645 2.1448 2.1448 4.5242 4.5242 4.5725 4.5725 4.8689 4.8689 5.7717 5.7717 5.8683 5.8683 10.1176 10.1176 10.5535 10.5535 k = 0.0980 0.0566 0.3126 ( 2290 PWs) bands (ev): -11.2288 -11.2288 -10.8032 -10.8032 -0.0132 -0.0132 0.6893 0.6893 1.0934 1.0934 1.5721 1.5721 1.9165 1.9165 2.1241 2.1241 4.5258 4.5258 4.5867 4.5867 4.8798 4.8798 5.7474 5.7474 5.8614 5.8614 10.1530 10.1530 10.6211 10.6211 k = 0.1078 0.0623 0.3126 ( 2290 PWs) bands (ev): -11.2185 -11.2185 -10.7980 -10.7980 -0.0113 -0.0113 0.6419 0.6419 1.0932 1.0932 1.6009 1.6009 1.8663 1.8663 2.1025 2.1025 4.5267 4.5267 4.6017 4.6017 4.8912 4.8912 5.7226 5.7226 5.8541 5.8541 10.1898 10.1898 10.6920 10.6920 k = 0.1176 0.0679 0.3126 ( 2282 PWs) bands (ev): -11.2073 -11.2073 -10.7923 -10.7923 -0.0099 -0.0099 0.5946 0.5946 1.0930 1.0930 1.6261 1.6261 1.8156 1.8156 2.0800 2.0800 4.5269 4.5269 4.6173 4.6173 4.9029 4.9029 5.6980 5.6980 5.8466 5.8466 10.2273 10.2273 10.7652 10.7652 k = 0.1275 0.0736 0.3126 ( 2278 PWs) bands (ev): -11.1953 -11.1953 -10.7862 -10.7862 -0.0092 -0.0092 0.5475 0.5475 1.0927 1.0927 1.6446 1.6446 1.7680 1.7680 2.0567 2.0567 4.5264 4.5264 4.6335 4.6335 4.9147 4.9147 5.6740 5.6740 5.8389 5.8389 10.2648 10.2648 10.8395 10.8395 k = 0.1373 0.0792 0.3126 ( 2274 PWs) bands (ev): -11.1825 -11.1825 -10.7798 -10.7798 -0.0096 -0.0096 0.5004 0.5004 1.0924 1.0924 1.6458 1.6458 1.7349 1.7349 2.0328 2.0328 4.5252 4.5252 4.6499 4.6499 4.9262 4.9262 5.6510 5.6510 5.8310 5.8310 10.3013 10.3013 10.9134 10.9134 k = 0.1471 0.0849 0.3126 ( 2272 PWs) bands (ev): -11.1689 -11.1689 -10.7730 -10.7730 -0.0112 -0.0112 0.4536 0.4536 1.0920 1.0920 1.6158 1.6158 1.7306 1.7306 2.0083 2.0083 4.5233 4.5233 4.6664 4.6664 4.9374 4.9374 5.6296 5.6296 5.8231 5.8231 10.3361 10.3361 10.9854 10.9854 k = 0.1569 0.0906 0.3126 ( 2274 PWs) bands (ev): -11.1546 -11.1546 -10.7659 -10.7659 -0.0143 -0.0143 0.4070 0.4070 1.0916 1.0916 1.5693 1.5693 1.7411 1.7411 1.9835 1.9835 4.5208 4.5208 4.6830 4.6830 4.9480 4.9480 5.6100 5.6100 5.8153 5.8153 10.3682 10.3682 11.0539 11.0539 k = 0.1667 0.0962 0.3126 ( 2272 PWs) bands (ev): -11.1396 -11.1396 -10.7584 -10.7584 -0.0192 -0.0192 0.3607 0.3607 1.0911 1.0911 1.5193 1.5193 1.7539 1.7539 1.9585 1.9585 4.5177 4.5177 4.6994 4.6994 4.9578 4.9578 5.5926 5.5926 5.8077 5.8077 10.3969 10.3969 11.1171 11.1171 k = 0.1765 0.1019 0.3126 ( 2272 PWs) bands (ev): -11.1239 -11.1239 -10.7508 -10.7508 -0.0263 -0.0263 0.3147 0.3147 1.0905 1.0905 1.4697 1.4697 1.7655 1.7655 1.9336 1.9336 4.5140 4.5140 4.7155 4.7155 4.9667 4.9667 5.5778 5.5778 5.8004 5.8004 10.4212 10.4212 11.1734 11.1734 k = 0.1863 0.1075 0.3126 ( 2272 PWs) bands (ev): -11.1077 -11.1077 -10.7428 -10.7428 -0.0359 -0.0359 0.2691 0.2691 1.0898 1.0898 1.4221 1.4221 1.7746 1.7746 1.9092 1.9092 4.5098 4.5098 4.7312 4.7312 4.9745 4.9745 5.5659 5.5659 5.7934 5.7934 10.4406 10.4406 11.2211 11.2211 k = 0.1961 0.1132 0.3126 ( 2266 PWs) bands (ev): -11.0909 -11.0909 -10.7347 -10.7347 -0.0483 -0.0483 0.2240 0.2240 1.0890 1.0890 1.3775 1.3775 1.7804 1.7804 1.8860 1.8860 4.5053 4.5053 4.7464 4.7464 4.9814 4.9814 5.5569 5.5569 5.7869 5.7869 10.4544 10.4544 11.2591 11.2591 k = 0.2059 0.1189 0.3126 ( 2266 PWs) bands (ev): -11.0735 -11.0735 -10.7264 -10.7264 -0.0638 -0.0638 0.1794 0.1794 1.0880 1.0880 1.3365 1.3365 1.7816 1.7816 1.8651 1.8651 4.5003 4.5003 4.7609 4.7609 4.9872 4.9872 5.5509 5.5509 5.7809 5.7809 10.4623 10.4623 11.2868 11.2868 k = 0.2157 0.1245 0.3126 ( 2272 PWs) bands (ev): -11.0558 -11.0558 -10.7180 -10.7180 -0.0828 -0.0828 0.1357 0.1357 1.0869 1.0869 1.2997 1.2997 1.7766 1.7766 1.8481 1.8481 4.4948 4.4948 4.7747 4.7747 4.9917 4.9917 5.5481 5.5481 5.7754 5.7754 10.4640 10.4640 11.3041 11.3041 k = 0.2255 0.1302 0.3126 ( 2268 PWs) bands (ev): -11.0376 -11.0376 -10.7095 -10.7095 -0.1056 -0.1056 0.0930 0.0930 1.0856 1.0856 1.2673 1.2673 1.7646 1.7646 1.8362 1.8362 4.4892 4.4892 4.7877 4.7877 4.9955 4.9955 5.5484 5.5484 5.7706 5.7706 10.4597 10.4597 11.3115 11.3115 k = 0.2353 0.1358 0.3126 ( 2272 PWs) bands (ev): -11.0191 -11.0191 -10.7009 -10.7009 -0.1324 -0.1324 0.0517 0.0517 1.0841 1.0841 1.2396 1.2396 1.7470 1.7470 1.8281 1.8281 4.4832 4.4832 4.7998 4.7998 4.9981 4.9981 5.5516 5.5516 5.7665 5.7665 10.4496 10.4496 11.3097 11.3097 k = 0.2451 0.1415 0.3126 ( 2272 PWs) bands (ev): -11.0002 -11.0002 -10.6923 -10.6923 -0.1633 -0.1633 0.0121 0.0121 1.0824 1.0824 1.2166 1.2166 1.7261 1.7261 1.8216 1.8216 4.4770 4.4770 4.8111 4.8111 5.0001 5.0001 5.5576 5.5576 5.7630 5.7630 10.4341 10.4341 11.2999 11.2999 k = 0.2549 0.1472 0.3126 ( 2272 PWs) bands (ev): -10.9812 -10.9812 -10.6837 -10.6837 -0.1985 -0.1985 -0.0253 -0.0253 1.0804 1.0804 1.1981 1.1981 1.7038 1.7038 1.8150 1.8150 4.4707 4.4707 4.8214 4.8214 5.0014 5.0014 5.5664 5.5664 5.7603 5.7603 10.4137 10.4137 11.2830 11.2830 k = 0.2647 0.1528 0.3126 ( 2280 PWs) bands (ev): -10.9620 -10.9620 -10.6752 -10.6752 -0.2375 -0.2375 -0.0607 -0.0607 1.0783 1.0783 1.1839 1.1839 1.6810 1.6810 1.8078 1.8078 4.4642 4.4642 4.8307 4.8307 5.0020 5.0020 5.5775 5.5775 5.7582 5.7582 10.3892 10.3892 11.2603 11.2603 k = 0.2745 0.1585 0.3126 ( 2266 PWs) bands (ev): -10.9427 -10.9427 -10.6668 -10.6668 -0.2799 -0.2799 -0.0941 -0.0941 1.0762 1.0762 1.1736 1.1736 1.6583 1.6583 1.7996 1.7996 4.4577 4.4577 4.8391 4.8391 5.0024 5.0024 5.5910 5.5910 5.7569 5.7569 10.3612 10.3612 11.2326 11.2326 k = 0.2843 0.1641 0.3126 ( 2260 PWs) bands (ev): -10.9233 -10.9233 -10.6585 -10.6585 -0.3248 -0.3248 -0.1256 -0.1256 1.0740 1.0740 1.1668 1.1668 1.6358 1.6358 1.7905 1.7905 4.4512 4.4512 4.8465 4.8465 5.0023 5.0023 5.6064 5.6064 5.7563 5.7563 10.3304 10.3304 11.2010 11.2010 k = 0.2941 0.1698 0.3126 ( 2268 PWs) bands (ev): -10.9040 -10.9040 -10.6505 -10.6505 -0.3716 -0.3716 -0.1556 -0.1556 1.0719 1.0719 1.1628 1.1628 1.6139 1.6139 1.7805 1.7805 4.4446 4.4446 4.8529 4.8529 5.0018 5.0018 5.6234 5.6234 5.7563 5.7563 10.2975 10.2975 11.1662 11.1662 k = 0.3039 0.1755 0.3126 ( 2264 PWs) bands (ev): -10.8847 -10.8847 -10.6427 -10.6427 -0.4196 -0.4196 -0.1842 -0.1842 1.0700 1.0700 1.1612 1.1612 1.5926 1.5926 1.7698 1.7698 4.4380 4.4380 4.8586 4.8586 5.0012 5.0012 5.6420 5.6420 5.7569 5.7569 10.2631 10.2631 11.1290 11.1290 k = 0.3137 0.1811 0.3126 ( 2266 PWs) bands (ev): -10.8657 -10.8657 -10.6351 -10.6351 -0.4680 -0.4680 -0.2115 -0.2115 1.0682 1.0682 1.1617 1.1617 1.5721 1.5721 1.7586 1.7586 4.4314 4.4314 4.8635 4.8635 5.0002 5.0002 5.6617 5.6617 5.7581 5.7581 10.2279 10.2279 11.0901 11.0901 k = 0.3235 0.1868 0.3126 ( 2266 PWs) bands (ev): -10.8468 -10.8468 -10.6279 -10.6279 -0.5164 -0.5164 -0.2375 -0.2375 1.0665 1.0665 1.1637 1.1637 1.5524 1.5524 1.7472 1.7472 4.4249 4.4249 4.8675 4.8675 4.9992 4.9992 5.6824 5.6824 5.7598 5.7598 10.1923 10.1923 11.0501 11.0501 k = 0.3333 0.1925 0.3126 ( 2264 PWs) bands (ev): -10.8282 -10.8282 -10.6210 -10.6210 -0.5643 -0.5643 -0.2624 -0.2624 1.0648 1.0648 1.1670 1.1670 1.5336 1.5336 1.7357 1.7357 4.4186 4.4186 4.8709 4.8709 4.9981 4.9981 5.7037 5.7037 5.7620 5.7620 10.1567 10.1567 11.0094 11.0094 k = 0.3431 0.1981 0.3126 ( 2264 PWs) bands (ev): -10.8100 -10.8100 -10.6146 -10.6146 -0.6112 -0.6112 -0.2860 -0.2860 1.0632 1.0632 1.1712 1.1712 1.5158 1.5158 1.7244 1.7244 4.4124 4.4124 4.8737 4.8737 4.9968 4.9968 5.7254 5.7254 5.7648 5.7648 10.1217 10.1217 10.9687 10.9687 k = 0.3529 0.2038 0.3126 ( 2262 PWs) bands (ev): -10.7922 -10.7922 -10.6086 -10.6086 -0.6569 -0.6569 -0.3084 -0.3084 1.0615 1.0615 1.1760 1.1760 1.4989 1.4989 1.7134 1.7134 4.4064 4.4064 4.8758 4.8758 4.9955 4.9955 5.7465 5.7465 5.7686 5.7686 10.0876 10.0876 10.9283 10.9283 k = 0.3627 0.2094 0.3126 ( 2258 PWs) bands (ev): -10.7748 -10.7748 -10.6031 -10.6031 -0.7009 -0.7009 -0.3296 -0.3296 1.0598 1.0598 1.1811 1.1811 1.4830 1.4830 1.7030 1.7030 4.4005 4.4005 4.8776 4.8776 4.9941 4.9941 5.7630 5.7630 5.7773 5.7773 10.0546 10.0546 10.8886 10.8886 k = 0.3725 0.2151 0.3126 ( 2262 PWs) bands (ev): -10.7580 -10.7580 -10.5981 -10.5981 -0.7430 -0.7430 -0.3494 -0.3494 1.0581 1.0581 1.1862 1.1862 1.4682 1.4682 1.6934 1.6934 4.3949 4.3949 4.8789 4.8789 4.9926 4.9926 5.7697 5.7697 5.7955 5.7955 10.0231 10.0231 10.8501 10.8501 k = 0.3824 0.2208 0.3126 ( 2266 PWs) bands (ev): -10.7418 -10.7418 -10.5937 -10.5937 -0.7830 -0.7830 -0.3679 -0.3679 1.0564 1.0564 1.1911 1.1911 1.4545 1.4545 1.6846 1.6846 4.3895 4.3895 4.8798 4.8798 4.9911 4.9911 5.7736 5.7736 5.8163 5.8163 9.9932 9.9932 10.8130 10.8130 k = 0.3922 0.2264 0.3126 ( 2266 PWs) bands (ev): -10.7262 -10.7262 -10.5900 -10.5900 -0.8205 -0.8205 -0.3850 -0.3850 1.0547 1.0547 1.1957 1.1957 1.4419 1.4419 1.6767 1.6767 4.3844 4.3844 4.8804 4.8804 4.9897 4.9897 5.7770 5.7770 5.8369 5.8369 9.9652 9.9652 10.7778 10.7778 k = 0.4020 0.2321 0.3126 ( 2270 PWs) bands (ev): -10.7114 -10.7114 -10.5868 -10.5868 -0.8554 -0.8554 -0.4007 -0.4007 1.0530 1.0530 1.1997 1.1997 1.4303 1.4303 1.6699 1.6699 4.3796 4.3796 4.8807 4.8807 4.9882 4.9882 5.7801 5.7801 5.8567 5.8567 9.9392 9.9392 10.7446 10.7446 k = 0.4118 0.2377 0.3126 ( 2268 PWs) bands (ev): -10.6973 -10.6973 -10.5844 -10.5844 -0.8875 -0.8875 -0.4150 -0.4150 1.0513 1.0513 1.2033 1.2033 1.4199 1.4199 1.6641 1.6641 4.3752 4.3752 4.8809 4.8809 4.9869 4.9869 5.7831 5.7831 5.8754 5.8754 9.9153 9.9153 10.7137 10.7137 k = 0.4216 0.2434 0.3126 ( 2272 PWs) bands (ev): -10.6840 -10.6840 -10.5826 -10.5826 -0.9167 -0.9167 -0.4279 -0.4279 1.0497 1.0497 1.2062 1.2062 1.4106 1.4106 1.6593 1.6593 4.3711 4.3711 4.8809 4.8809 4.9855 4.9855 5.7858 5.7858 5.8928 5.8928 9.8938 9.8938 10.6854 10.6854 k = 0.4314 0.2491 0.3126 ( 2268 PWs) bands (ev): -10.6716 -10.6716 -10.5816 -10.5816 -0.9427 -0.9427 -0.4393 -0.4393 1.0483 1.0483 1.2085 1.2085 1.4024 1.4024 1.6554 1.6554 4.3674 4.3674 4.8809 4.8809 4.9843 4.9843 5.7884 5.7884 5.9087 5.9087 9.8746 9.8746 10.6599 10.6599 k = 0.4412 0.2547 0.3126 ( 2268 PWs) bands (ev): -10.6602 -10.6602 -10.5812 -10.5812 -0.9656 -0.9656 -0.4492 -0.4492 1.0469 1.0469 1.2103 1.2103 1.3954 1.3954 1.6524 1.6524 4.3642 4.3642 4.8808 4.8808 4.9832 4.9832 5.7906 5.7906 5.9229 5.9229 9.8578 9.8578 10.6374 10.6374 k = 0.4510 0.2604 0.3126 ( 2264 PWs) bands (ev): -10.6497 -10.6497 -10.5816 -10.5816 -0.9850 -0.9850 -0.4576 -0.4576 1.0457 1.0457 1.2117 1.2117 1.3894 1.3894 1.6501 1.6501 4.3614 4.3614 4.8806 4.8806 4.9823 4.9823 5.7926 5.7926 5.9352 5.9352 9.8435 9.8435 10.6181 10.6181 k = 0.4608 0.2660 0.3126 ( 2268 PWs) bands (ev): -10.6405 -10.6405 -10.5825 -10.5825 -1.0011 -1.0011 -0.4645 -0.4645 1.0447 1.0447 1.2126 1.2126 1.3845 1.3845 1.6485 1.6485 4.3591 4.3591 4.8804 4.8804 4.9815 4.9815 5.7942 5.7942 5.9454 5.9454 9.8318 9.8318 10.6021 10.6021 k = 0.4706 0.2717 0.3126 ( 2268 PWs) bands (ev): -10.6325 -10.6325 -10.5840 -10.5840 -1.0137 -1.0137 -0.4699 -0.4699 1.0439 1.0439 1.2132 1.2132 1.3808 1.3808 1.6473 1.6473 4.3572 4.3572 4.8803 4.8803 4.9809 4.9809 5.7955 5.7955 5.9535 5.9535 9.8226 9.8226 10.5895 10.5895 k = 0.4804 0.2774 0.3126 ( 2276 PWs) bands (ev): -10.6262 -10.6262 -10.5857 -10.5857 -1.0227 -1.0227 -0.4737 -0.4737 1.0433 1.0433 1.2136 1.2136 1.3781 1.3781 1.6465 1.6465 4.3559 4.3559 4.8801 4.8801 4.9803 4.9803 5.7964 5.7964 5.9594 5.9594 9.8160 9.8160 10.5804 10.5804 k = 0.4902 0.2830 0.3126 ( 2272 PWs) bands (ev): -10.6219 -10.6219 -10.5871 -10.5871 -1.0281 -1.0281 -0.4760 -0.4760 1.0429 1.0429 1.2138 1.2138 1.3765 1.3765 1.6461 1.6461 4.3551 4.3551 4.8800 4.8800 4.9801 4.9801 5.7970 5.7970 5.9629 5.9629 9.8121 9.8121 10.5749 10.5749 k = 0.5000 0.2887 0.3126 ( 2268 PWs) bands (ev): -10.6204 -10.6204 -10.5877 -10.5877 -1.0299 -1.0299 -0.4768 -0.4768 1.0428 1.0428 1.2138 1.2138 1.3759 1.3759 1.6460 1.6460 4.3548 4.3548 4.8800 4.8800 4.9800 4.9800 5.7972 5.7972 5.9641 5.9641 9.8108 9.8108 10.5731 10.5731 k = 0.5000 0.2887 0.3126 ( 2268 PWs) bands (ev): -10.6204 -10.6204 -10.5877 -10.5877 -1.0299 -1.0299 -0.4768 -0.4768 1.0428 1.0428 1.2138 1.2138 1.3759 1.3759 1.6460 1.6460 4.3548 4.3548 4.8800 4.8800 4.9800 4.9800 5.7972 5.7972 5.9641 5.9641 9.8108 9.8108 10.5731 10.5731 k = 0.4944 0.2983 0.3126 ( 2268 PWs) bands (ev): -10.6202 -10.6202 -10.5876 -10.5876 -1.0290 -1.0290 -0.4763 -0.4763 1.0418 1.0418 1.2109 1.2109 1.3759 1.3759 1.6454 1.6454 4.3561 4.3561 4.8800 4.8800 4.9799 4.9799 5.7968 5.7968 5.9642 5.9642 9.8138 9.8138 10.5767 10.5767 k = 0.4889 0.3079 0.3126 ( 2266 PWs) bands (ev): -10.6198 -10.6198 -10.5871 -10.5871 -1.0261 -1.0261 -0.4748 -0.4748 1.0389 1.0389 1.2020 1.2020 1.3758 1.3758 1.6435 1.6435 4.3600 4.3600 4.8802 4.8802 4.9795 4.9795 5.7957 5.7957 5.9643 5.9643 9.8227 9.8227 10.5874 10.5874 k = 0.4833 0.3175 0.3126 ( 2264 PWs) bands (ev): -10.6191 -10.6191 -10.5864 -10.5864 -1.0213 -1.0213 -0.4723 -0.4723 1.0340 1.0340 1.1873 1.1873 1.3758 1.3758 1.6405 1.6405 4.3663 4.3663 4.8805 4.8805 4.9789 4.9789 5.7938 5.7938 5.9646 5.9646 9.8375 9.8375 10.6052 10.6052 k = 0.4778 0.3272 0.3126 ( 2264 PWs) bands (ev): -10.6182 -10.6182 -10.5855 -10.5855 -1.0145 -1.0145 -0.4689 -0.4689 1.0271 1.0271 1.1666 1.1666 1.3761 1.3761 1.6363 1.6363 4.3750 4.3750 4.8808 4.8808 4.9780 4.9780 5.7912 5.7912 5.9648 5.9648 9.8581 9.8581 10.6298 10.6298 k = 0.4722 0.3368 0.3126 ( 2256 PWs) bands (ev): -10.6169 -10.6169 -10.5842 -10.5842 -1.0059 -1.0059 -0.4645 -0.4645 1.0183 1.0183 1.1403 1.1403 1.3767 1.3767 1.6311 1.6311 4.3859 4.3859 4.8811 4.8811 4.9768 4.9768 5.7882 5.7882 5.9652 5.9652 9.8843 9.8843 10.6610 10.6610 k = 0.4667 0.3464 0.3126 ( 2256 PWs) bands (ev): -10.6154 -10.6154 -10.5827 -10.5827 -0.9954 -0.9954 -0.4592 -0.4592 1.0074 1.0074 1.1087 1.1087 1.3778 1.3778 1.6249 1.6249 4.3986 4.3986 4.8815 4.8815 4.9754 4.9754 5.7848 5.7848 5.9654 5.9654 9.9160 9.9160 10.6984 10.6984 k = 0.4611 0.3560 0.3126 ( 2264 PWs) bands (ev): -10.6137 -10.6137 -10.5810 -10.5810 -0.9830 -0.9830 -0.4530 -0.4530 0.9941 0.9941 1.0724 1.0724 1.3793 1.3793 1.6178 1.6178 4.4130 4.4130 4.8819 4.8819 4.9738 4.9738 5.7810 5.7810 5.9656 5.9656 9.9528 9.9528 10.7417 10.7417 k = 0.4556 0.3657 0.3126 ( 2260 PWs) bands (ev): -10.6117 -10.6117 -10.5791 -10.5791 -0.9687 -0.9687 -0.4459 -0.4459 0.9778 0.9778 1.0328 1.0328 1.3813 1.3813 1.6099 1.6099 4.4288 4.4288 4.8823 4.8823 4.9721 4.9721 5.7772 5.7772 5.9657 5.9657 9.9946 9.9946 10.7903 10.7903 k = 0.4500 0.3753 0.3126 ( 2264 PWs) bands (ev): -10.6095 -10.6095 -10.5769 -10.5769 -0.9526 -0.9526 -0.4379 -0.4379 0.9551 0.9551 0.9935 0.9935 1.3837 1.3837 1.6013 1.6013 4.4458 4.4458 4.8827 4.8827 4.9701 4.9701 5.7734 5.7734 5.9655 5.9655 10.0410 10.0410 10.8439 10.8439 k = 0.4444 0.3849 0.3126 ( 2272 PWs) bands (ev): -10.6070 -10.6070 -10.5746 -10.5746 -0.9347 -0.9347 -0.4292 -0.4292 0.9183 0.9183 0.9630 0.9630 1.3865 1.3865 1.5921 1.5921 4.4637 4.4637 4.8829 4.8829 4.9681 4.9681 5.7699 5.7699 5.9651 5.9651 10.0917 10.0917 10.9018 10.9018 k = 0.4389 0.3945 0.3126 ( 2268 PWs) bands (ev): -10.6044 -10.6044 -10.5722 -10.5722 -0.9149 -0.9149 -0.4198 -0.4198 0.8693 0.8693 0.9399 0.9399 1.3896 1.3896 1.5824 1.5824 4.4822 4.4822 4.8830 4.8830 4.9661 4.9661 5.7669 5.7669 5.9644 5.9644 10.1463 10.1463 10.9636 10.9636 k = 0.4333 0.4041 0.3126 ( 2272 PWs) bands (ev): -10.6016 -10.6016 -10.5696 -10.5696 -0.8934 -0.8934 -0.4096 -0.4096 0.8144 0.8144 0.9184 0.9184 1.3930 1.3930 1.5724 1.5724 4.5010 4.5010 4.8829 4.8829 4.9640 4.9640 5.7644 5.7644 5.9633 5.9633 10.2043 10.2043 11.0288 11.0288 k = 0.4278 0.4138 0.3126 ( 2270 PWs) bands (ev): -10.5986 -10.5986 -10.5670 -10.5670 -0.8702 -0.8702 -0.3989 -0.3989 0.7563 0.7563 0.8967 0.8967 1.3967 1.3967 1.5622 1.5622 4.5202 4.5202 4.8826 4.8826 4.9620 4.9620 5.7626 5.7626 5.9619 5.9619 10.2652 10.2652 11.0967 11.0967 k = 0.4222 0.4234 0.3126 ( 2270 PWs) bands (ev): -10.5955 -10.5955 -10.5643 -10.5643 -0.8452 -0.8452 -0.3876 -0.3876 0.6958 0.6958 0.8744 0.8744 1.4006 1.4006 1.5518 1.5518 4.5392 4.5392 4.8820 4.8820 4.9600 4.9600 5.7616 5.7616 5.9600 5.9600 10.3287 10.3287 11.1668 11.1668 k = 0.4167 0.4330 0.3126 ( 2266 PWs) bands (ev): -10.5922 -10.5922 -10.5615 -10.5615 -0.8186 -0.8186 -0.3758 -0.3758 0.6337 0.6337 0.8514 0.8514 1.4046 1.4046 1.5414 1.5414 4.5581 4.5581 4.8811 4.8811 4.9582 4.9582 5.7615 5.7615 5.9576 5.9576 10.3941 10.3941 11.2386 11.2386 k = 0.4111 0.4426 0.3126 ( 2278 PWs) bands (ev): -10.5889 -10.5889 -10.5588 -10.5588 -0.7904 -0.7904 -0.3638 -0.3638 0.5703 0.5703 0.8279 0.8279 1.4086 1.4086 1.5312 1.5312 4.5765 4.5765 4.8798 4.8798 4.9564 4.9564 5.7623 5.7623 5.9545 5.9545 10.4610 10.4610 11.3115 11.3115 k = 0.4056 0.4523 0.3126 ( 2274 PWs) bands (ev): -10.5854 -10.5854 -10.5561 -10.5561 -0.7605 -0.7605 -0.3515 -0.3515 0.5062 0.5062 0.8042 0.8042 1.4128 1.4128 1.5212 1.5212 4.5943 4.5943 4.8783 4.8783 4.9549 4.9549 5.7643 5.7643 5.9511 5.9511 10.5286 10.5286 11.3851 11.3851 k = 0.4000 0.4619 0.3126 ( 2274 PWs) bands (ev): -10.5819 -10.5819 -10.5535 -10.5535 -0.7291 -0.7291 -0.3390 -0.3390 0.4418 0.4418 0.7803 0.7803 1.4169 1.4169 1.5115 1.5115 4.6114 4.6114 4.8766 4.8766 4.9535 4.9535 5.7672 5.7672 5.9470 5.9470 10.5965 10.5965 11.4586 11.4586 k = 0.3944 0.4715 0.3126 ( 2274 PWs) bands (ev): -10.5784 -10.5784 -10.5511 -10.5511 -0.6962 -0.6962 -0.3267 -0.3267 0.3773 0.3773 0.7566 0.7566 1.4209 1.4209 1.5023 1.5023 4.6275 4.6275 4.8747 4.8747 4.9523 4.9523 5.7713 5.7713 5.9424 5.9424 10.6639 10.6639 11.5316 11.5316 k = 0.3889 0.4811 0.3126 ( 2266 PWs) bands (ev): -10.5748 -10.5748 -10.5488 -10.5488 -0.6619 -0.6619 -0.3145 -0.3145 0.3132 0.3132 0.7333 0.7333 1.4247 1.4247 1.4937 1.4937 4.6427 4.6427 4.8727 4.8727 4.9513 4.9513 5.7764 5.7764 5.9373 5.9373 10.7301 10.7301 11.6036 11.6036 k = 0.3833 0.4907 0.3126 ( 2260 PWs) bands (ev): -10.5713 -10.5713 -10.5467 -10.5467 -0.6262 -0.6262 -0.3027 -0.3027 0.2498 0.2498 0.7108 0.7108 1.4283 1.4283 1.4858 1.4858 4.6566 4.6566 4.8707 4.8707 4.9503 4.9503 5.7824 5.7824 5.9316 5.9316 10.7945 10.7945 11.6738 11.6738 k = 0.3778 0.5004 0.3126 ( 2264 PWs) bands (ev): -10.5678 -10.5678 -10.5449 -10.5449 -0.5892 -0.5892 -0.2915 -0.2915 0.1874 0.1874 0.6893 0.6893 1.4316 1.4316 1.4786 1.4786 4.6691 4.6691 4.8688 4.8688 4.9494 4.9494 5.7893 5.7893 5.9253 5.9253 10.8562 10.8562 11.7416 11.7416 k = 0.3722 0.5100 0.3126 ( 2264 PWs) bands (ev): -10.5644 -10.5644 -10.5434 -10.5434 -0.5509 -0.5509 -0.2811 -0.2811 0.1261 0.1261 0.6693 0.6693 1.4344 1.4344 1.4723 1.4723 4.6802 4.6802 4.8672 4.8672 4.9486 4.9486 5.7970 5.7970 5.9186 5.9186 10.9144 10.9144 11.8062 11.8062 k = 0.3667 0.5196 0.3126 ( 2264 PWs) bands (ev): -10.5611 -10.5611 -10.5422 -10.5422 -0.5114 -0.5114 -0.2716 -0.2716 0.0664 0.0664 0.6510 0.6510 1.4367 1.4367 1.4671 1.4671 4.6896 4.6896 4.8658 4.8658 4.9479 4.9479 5.8053 5.8053 5.9114 5.9114 10.9680 10.9680 11.8666 11.8666 k = 0.3611 0.5292 0.3126 ( 2264 PWs) bands (ev): -10.5579 -10.5579 -10.5414 -10.5414 -0.4709 -0.4709 -0.2633 -0.2633 0.0085 0.0085 0.6348 0.6348 1.4384 1.4384 1.4630 1.4630 4.6975 4.6975 4.8649 4.8649 4.9472 4.9472 5.8142 5.8142 5.9038 5.9038 11.0160 11.0160 11.9216 11.9216 k = 0.3556 0.5389 0.3126 ( 2260 PWs) bands (ev): -10.5549 -10.5549 -10.5410 -10.5410 -0.4293 -0.4293 -0.2563 -0.2563 -0.0473 -0.0473 0.6211 0.6211 1.4392 1.4392 1.4602 1.4602 4.7036 4.7036 4.8644 4.8644 4.9466 4.9466 5.8235 5.8235 5.8959 5.8959 11.0572 11.0572 11.9700 11.9700 k = 0.3500 0.5485 0.3126 ( 2260 PWs) bands (ev): -10.5520 -10.5520 -10.5411 -10.5411 -0.3870 -0.3870 -0.2510 -0.2510 -0.1008 -0.1008 0.6100 0.6100 1.4394 1.4394 1.4585 1.4585 4.7081 4.7081 4.8642 4.8642 4.9462 4.9462 5.8331 5.8331 5.8876 5.8876 11.0905 11.0905 12.0103 12.0103 k = 0.3444 0.5581 0.3126 ( 2254 PWs) bands (ev): -10.5494 -10.5494 -10.5417 -10.5417 -0.3441 -0.3441 -0.2476 -0.2476 -0.1512 -0.1512 0.6020 0.6020 1.4392 1.4392 1.4576 1.4576 4.7111 4.7111 4.8643 4.8643 4.9459 4.9459 5.8426 5.8426 5.8791 5.8791 11.1148 11.1148 12.0406 12.0406 k = 0.3389 0.5677 0.3126 ( 2262 PWs) bands (ev): -10.5470 -10.5470 -10.5428 -10.5428 -0.3015 -0.3015 -0.2478 -0.2478 -0.1962 -0.1962 0.5970 0.5970 1.4390 1.4390 1.4572 1.4572 4.7127 4.7127 4.8644 4.8644 4.9456 4.9456 5.8520 5.8520 5.8704 5.8704 11.1294 11.1294 12.0584 12.0584 k = 0.3333 0.5774 0.3126 ( 2262 PWs) bands (ev): -10.5455 -10.5455 -10.5439 -10.5439 -0.2666 -0.2666 -0.2605 -0.2605 -0.2193 -0.2193 0.5954 0.5954 1.4389 1.4389 1.4571 1.4571 4.7132 4.7132 4.8645 4.8645 4.9455 4.9455 5.8598 5.8598 5.8629 5.8629 11.1342 11.1342 12.0623 12.0623 k = 0.3333 0.5774 0.3126 ( 2262 PWs) bands (ev): -10.5455 -10.5455 -10.5439 -10.5439 -0.2666 -0.2666 -0.2605 -0.2605 -0.2193 -0.2193 0.5954 0.5954 1.4389 1.4389 1.4571 1.4571 4.7132 4.7132 4.8645 4.8645 4.9455 4.9455 5.8598 5.8598 5.8629 5.8629 11.1342 11.1342 12.0623 12.0623 k = 0.3277 0.5676 0.3126 ( 2260 PWs) bands (ev): -10.5473 -10.5473 -10.5426 -10.5426 -0.3010 -0.3010 -0.2483 -0.2483 -0.1962 -0.1962 0.5971 0.5971 1.4389 1.4389 1.4573 1.4573 4.7128 4.7128 4.8644 4.8644 4.9456 4.9456 5.8520 5.8520 5.8703 5.8703 11.1296 11.1296 12.0622 12.0622 k = 0.3220 0.5578 0.3126 ( 2260 PWs) bands (ev): -10.5503 -10.5503 -10.5411 -10.5411 -0.3408 -0.3408 -0.2486 -0.2486 -0.1531 -0.1531 0.6022 0.6022 1.4387 1.4387 1.4581 1.4581 4.7116 4.7116 4.8639 4.8639 4.9458 4.9458 5.8429 5.8429 5.8785 5.8785 11.1164 11.1164 12.0607 12.0607 k = 0.3164 0.5480 0.3126 ( 2260 PWs) bands (ev): -10.5540 -10.5540 -10.5398 -10.5398 -0.3786 -0.3786 -0.2520 -0.2520 -0.1066 -0.1066 0.6106 0.6106 1.4377 1.4377 1.4600 1.4600 4.7098 4.7098 4.8629 4.8629 4.9460 4.9460 5.8337 5.8337 5.8858 5.8858 11.0964 11.0964 12.0501 12.0501 k = 0.3107 0.5382 0.3126 ( 2260 PWs) bands (ev): -10.5586 -10.5586 -10.5388 -10.5388 -0.4135 -0.4135 -0.2568 -0.2568 -0.0591 -0.0591 0.6221 0.6221 1.4356 1.4356 1.4633 1.4633 4.7077 4.7077 4.8615 4.8615 4.9463 4.9463 5.8246 5.8246 5.8921 5.8921 11.0711 11.0711 12.0311 12.0311 k = 0.3051 0.5284 0.3126 ( 2264 PWs) bands (ev): -10.5638 -10.5638 -10.5383 -10.5383 -0.4454 -0.4454 -0.2625 -0.2625 -0.0110 -0.0110 0.6366 0.6366 1.4323 1.4323 1.4683 1.4683 4.7053 4.7053 4.8595 4.8595 4.9465 4.9465 5.8157 5.8157 5.8973 5.8973 11.0422 11.0422 12.0073 12.0073 k = 0.2994 0.5186 0.3126 ( 2264 PWs) bands (ev): -10.5699 -10.5699 -10.5381 -10.5381 -0.4740 -0.4740 -0.2687 -0.2687 0.0375 0.0375 0.6538 0.6538 1.4277 1.4277 1.4747 1.4747 4.7028 4.7028 4.8571 4.8571 4.9466 4.9466 5.8069 5.8069 5.9012 5.9012 11.0110 11.0110 11.9812 11.9812 k = 0.2938 0.5089 0.3126 ( 2264 PWs) bands (ev): -10.5767 -10.5767 -10.5383 -10.5383 -0.4992 -0.4992 -0.2752 -0.2752 0.0860 0.0860 0.6734 0.6734 1.4220 1.4220 1.4824 1.4824 4.7002 4.7002 4.8542 4.8542 4.9466 4.9466 5.7983 5.7983 5.9036 5.9036 10.9787 10.9787 11.9542 11.9542 k = 0.2881 0.4991 0.3126 ( 2272 PWs) bands (ev): -10.5844 -10.5844 -10.5389 -10.5389 -0.5210 -0.5210 -0.2815 -0.2815 0.1345 0.1345 0.6953 0.6953 1.4153 1.4153 1.4914 1.4914 4.6977 4.6977 4.8509 4.8509 4.9464 4.9464 5.7899 5.7899 5.9045 5.9045 10.9461 10.9461 11.9275 11.9275 k = 0.2825 0.4893 0.3126 ( 2268 PWs) bands (ev): -10.5929 -10.5929 -10.5400 -10.5400 -0.5394 -0.5394 -0.2875 -0.2875 0.1829 0.1829 0.7192 0.7192 1.4076 1.4076 1.5015 1.5015 4.6953 4.6953 4.8473 4.8473 4.9462 4.9462 5.7819 5.7819 5.9038 5.9038 10.9139 10.9139 11.9019 11.9019 k = 0.2768 0.4795 0.3126 ( 2264 PWs) bands (ev): -10.6021 -10.6021 -10.5415 -10.5415 -0.5542 -0.5542 -0.2928 -0.2928 0.2310 0.2310 0.7449 0.7449 1.3989 1.3989 1.5128 1.5128 4.6929 4.6929 4.8433 4.8433 4.9458 4.9458 5.7741 5.7741 5.9014 5.9014 10.8826 10.8826 11.8781 11.8781 k = 0.2712 0.4697 0.3126 ( 2260 PWs) bands (ev): -10.6122 -10.6122 -10.5435 -10.5435 -0.5655 -0.5655 -0.2973 -0.2973 0.2787 0.2787 0.7722 0.7722 1.3894 1.3894 1.5251 1.5251 4.6907 4.6907 4.8391 4.8391 4.9454 4.9454 5.7667 5.7667 5.8973 5.8973 10.8526 10.8526 11.8566 11.8566 k = 0.2655 0.4599 0.3126 ( 2260 PWs) bands (ev): -10.6231 -10.6231 -10.5459 -10.5459 -0.5733 -0.5733 -0.3007 -0.3007 0.3258 0.3258 0.8009 0.8009 1.3790 1.3790 1.5384 1.5384 4.6886 4.6886 4.8346 4.8346 4.9451 4.9451 5.7596 5.7596 5.8914 5.8914 10.8241 10.8241 11.8376 11.8376 k = 0.2599 0.4501 0.3126 ( 2260 PWs) bands (ev): -10.6348 -10.6348 -10.5487 -10.5487 -0.5777 -0.5777 -0.3028 -0.3028 0.3724 0.3724 0.8309 0.8309 1.3679 1.3679 1.5525 1.5525 4.6865 4.6865 4.8299 4.8299 4.9448 4.9448 5.7528 5.7528 5.8837 5.8837 10.7973 10.7973 11.8213 11.8213 k = 0.2542 0.4404 0.3126 ( 2260 PWs) bands (ev): -10.6473 -10.6473 -10.5520 -10.5520 -0.5786 -0.5786 -0.3036 -0.3036 0.4181 0.4181 0.8621 0.8621 1.3560 1.3560 1.5675 1.5675 4.6845 4.6845 4.8251 4.8251 4.9447 4.9447 5.7464 5.7464 5.8743 5.8743 10.7725 10.7725 11.8078 11.8078 k = 0.2486 0.4306 0.3126 ( 2260 PWs) bands (ev): -10.6605 -10.6605 -10.5558 -10.5558 -0.5762 -0.5762 -0.3028 -0.3028 0.4630 0.4630 0.8943 0.8943 1.3436 1.3436 1.5831 1.5831 4.6825 4.6825 4.8200 4.8200 4.9449 4.9449 5.7404 5.7404 5.8634 5.8634 10.7497 10.7497 11.7973 11.7973 k = 0.2429 0.4208 0.3126 ( 2264 PWs) bands (ev): -10.6745 -10.6745 -10.5600 -10.5600 -0.5706 -0.5706 -0.3005 -0.3005 0.5070 0.5070 0.9274 0.9274 1.3306 1.3306 1.5993 1.5993 4.6805 4.6805 4.8148 4.8148 4.9455 4.9455 5.7346 5.7346 5.8507 5.8507 10.7289 10.7289 11.7896 11.7896 k = 0.2373 0.4110 0.3126 ( 2264 PWs) bands (ev): -10.6891 -10.6891 -10.5646 -10.5646 -0.5617 -0.5617 -0.2964 -0.2964 0.5498 0.5498 0.9613 0.9613 1.3172 1.3172 1.6160 1.6160 4.6784 4.6784 4.8095 4.8095 4.9466 4.9466 5.7293 5.7293 5.8367 5.8367 10.7101 10.7101 11.7846 11.7846 k = 0.2316 0.4012 0.3126 ( 2260 PWs) bands (ev): -10.7044 -10.7044 -10.5697 -10.5697 -0.5498 -0.5498 -0.2905 -0.2905 0.5915 0.5915 0.9960 0.9960 1.3036 1.3036 1.6331 1.6331 4.6762 4.6762 4.8041 4.8041 4.9483 4.9483 5.7244 5.7244 5.8213 5.8213 10.6934 10.6934 11.7823 11.7823 k = 0.2260 0.3914 0.3126 ( 2262 PWs) bands (ev): -10.7204 -10.7204 -10.5752 -10.5752 -0.5350 -0.5350 -0.2828 -0.2828 0.6320 0.6320 1.0313 1.0313 1.2898 1.2898 1.6504 1.6504 4.6740 4.6740 4.7986 4.7986 4.9504 4.9504 5.7198 5.7198 5.8047 5.8047 10.6788 10.6788 11.7824 11.7824 k = 0.2203 0.3816 0.3126 ( 2262 PWs) bands (ev): -10.7369 -10.7369 -10.5810 -10.5810 -0.5174 -0.5174 -0.2732 -0.2732 0.6711 0.6711 1.0671 1.0671 1.2761 1.2761 1.6679 1.6679 4.6716 4.6716 4.7929 4.7929 4.9531 4.9531 5.7156 5.7156 5.7872 5.7872 10.6660 10.6660 11.7847 11.7847 k = 0.2147 0.3719 0.3126 ( 2270 PWs) bands (ev): -10.7540 -10.7540 -10.5873 -10.5873 -0.4973 -0.4973 -0.2617 -0.2617 0.7088 0.7088 1.1034 1.1034 1.2628 1.2628 1.6853 1.6853 4.6690 4.6690 4.7871 4.7871 4.9564 4.9564 5.7117 5.7117 5.7688 5.7688 10.6552 10.6552 11.7889 11.7889 k = 0.2090 0.3621 0.3126 ( 2270 PWs) bands (ev): -10.7715 -10.7715 -10.5939 -10.5939 -0.4748 -0.4748 -0.2484 -0.2484 0.7451 0.7451 1.1398 1.1398 1.2502 1.2502 1.7025 1.7025 4.6664 4.6664 4.7812 4.7812 4.9602 4.9602 5.7082 5.7082 5.7500 5.7500 10.6460 10.6460 11.7946 11.7946 k = 0.2034 0.3523 0.3126 ( 2266 PWs) bands (ev): -10.7895 -10.7895 -10.6009 -10.6009 -0.4502 -0.4502 -0.2330 -0.2330 0.7798 0.7798 1.1755 1.1755 1.2393 1.2393 1.7194 1.7194 4.6637 4.6637 4.7753 4.7753 4.9646 4.9646 5.7046 5.7046 5.7314 5.7314 10.6385 10.6385 11.8013 11.8013 k = 0.1977 0.3425 0.3126 ( 2270 PWs) bands (ev): -10.8079 -10.8079 -10.6081 -10.6081 -0.4237 -0.4237 -0.2158 -0.2158 0.8130 0.8130 1.2045 1.2045 1.2365 1.2365 1.7357 1.7357 4.6609 4.6609 4.7691 4.7691 4.9693 4.9693 5.6992 5.6992 5.7149 5.7149 10.6324 10.6324 11.8087 11.8087 k = 0.1921 0.3327 0.3126 ( 2272 PWs) bands (ev): -10.8266 -10.8266 -10.6157 -10.6157 -0.3957 -0.3957 -0.1967 -0.1967 0.8446 0.8446 1.2074 1.2074 1.2611 1.2611 1.7515 1.7515 4.6580 4.6580 4.7629 4.7629 4.9743 4.9743 5.6863 5.6863 5.7067 5.7067 10.6275 10.6275 11.8160 11.8160 k = 0.1864 0.3229 0.3126 ( 2268 PWs) bands (ev): -10.8456 -10.8456 -10.6235 -10.6235 -0.3664 -0.3664 -0.1758 -0.1758 0.8745 0.8745 1.2007 1.2007 1.2972 1.2972 1.7665 1.7665 4.6551 4.6551 4.7565 4.7565 4.9794 4.9794 5.6686 5.6686 5.7043 5.7043 10.6235 10.6235 11.8225 11.8225 k = 0.1808 0.3131 0.3126 ( 2276 PWs) bands (ev): -10.8649 -10.8649 -10.6315 -10.6315 -0.3363 -0.3363 -0.1530 -0.1530 0.9025 0.9025 1.1942 1.1942 1.3352 1.3352 1.7805 1.7805 4.6521 4.6521 4.7500 4.7500 4.9843 4.9843 5.6503 5.6503 5.7035 5.7035 10.6203 10.6203 11.8274 11.8274 k = 0.1751 0.3034 0.3126 ( 2276 PWs) bands (ev): -10.8843 -10.8843 -10.6398 -10.6398 -0.3056 -0.3056 -0.1284 -0.1284 0.9287 0.9287 1.1896 1.1896 1.3736 1.3736 1.7934 1.7934 4.6491 4.6491 4.7433 4.7433 4.9892 4.9892 5.6327 5.6327 5.7038 5.7038 10.6175 10.6175 11.8297 11.8297 k = 0.1695 0.2936 0.3126 ( 2272 PWs) bands (ev): -10.9038 -10.9038 -10.6482 -10.6482 -0.2748 -0.2748 -0.1020 -0.1020 0.9527 0.9527 1.1878 1.1878 1.4123 1.4123 1.8051 1.8051 4.6461 4.6461 4.7366 4.7366 4.9937 4.9937 5.6161 5.6161 5.7050 5.7050 10.6147 10.6147 11.8281 11.8281 k = 0.1638 0.2838 0.3126 ( 2276 PWs) bands (ev): -10.9233 -10.9233 -10.6568 -10.6568 -0.2442 -0.2442 -0.0740 -0.0740 0.9744 0.9744 1.1894 1.1894 1.4510 1.4510 1.8155 1.8155 4.6430 4.6430 4.7295 4.7295 4.9976 4.9976 5.6008 5.6008 5.7071 5.7071 10.6117 10.6117 11.8215 11.8215 k = 0.1582 0.2740 0.3126 ( 2280 PWs) bands (ev): -10.9428 -10.9428 -10.6654 -10.6654 -0.2144 -0.2144 -0.0443 -0.0443 0.9934 0.9934 1.1951 1.1951 1.4896 1.4896 1.8244 1.8244 4.6399 4.6399 4.7222 4.7222 5.0008 5.0008 5.5871 5.5871 5.7101 5.7101 10.6079 10.6079 11.8087 11.8087 k = 0.1525 0.2642 0.3126 ( 2280 PWs) bands (ev): -10.9623 -10.9623 -10.6742 -10.6742 -0.1857 -0.1857 -0.0130 -0.0130 1.0096 1.0096 1.2055 1.2055 1.5279 1.5279 1.8318 1.8318 4.6369 4.6369 4.7147 4.7147 5.0032 5.0032 5.5754 5.5754 5.7140 5.7140 10.6030 10.6030 11.7884 11.7884 k = 0.1469 0.2544 0.3126 ( 2280 PWs) bands (ev): -10.9816 -10.9816 -10.6830 -10.6830 -0.1585 -0.1585 0.0198 0.0198 1.0230 1.0230 1.2209 1.2209 1.5657 1.5657 1.8377 1.8377 4.6338 4.6338 4.7069 4.7069 5.0045 5.0045 5.5658 5.5658 5.7188 5.7188 10.5965 10.5965 11.7599 11.7599 k = 0.1412 0.2446 0.3126 ( 2276 PWs) bands (ev): -11.0007 -11.0007 -10.6918 -10.6918 -0.1332 -0.1332 0.0541 0.0541 1.0339 1.0339 1.2413 1.2413 1.6027 1.6027 1.8421 1.8421 4.6306 4.6306 4.6989 4.6989 5.0048 5.0048 5.5586 5.5586 5.7245 5.7245 10.5880 10.5880 11.7228 11.7228 k = 0.1356 0.2349 0.3126 ( 2272 PWs) bands (ev): -11.0195 -11.0195 -10.7006 -10.7006 -0.1100 -0.1100 0.0898 0.0898 1.0429 1.0429 1.2664 1.2664 1.6384 1.6384 1.8454 1.8454 4.6273 4.6273 4.6905 4.6905 5.0039 5.0039 5.5540 5.5540 5.7310 5.7310 10.5771 10.5771 11.6769 11.6769 k = 0.1299 0.2251 0.3126 ( 2274 PWs) bands (ev): -11.0381 -11.0381 -10.7093 -10.7093 -0.0893 -0.0893 0.1267 0.1267 1.0503 1.0503 1.2960 1.2960 1.6723 1.6723 1.8480 1.8480 4.6239 4.6239 4.6817 4.6817 5.0017 5.0017 5.5520 5.5520 5.7383 5.7383 10.5635 10.5635 11.6229 11.6229 k = 0.1243 0.2153 0.3126 ( 2274 PWs) bands (ev): -11.0563 -11.0563 -10.7179 -10.7179 -0.0710 -0.0710 0.1650 0.1650 1.0566 1.0566 1.3296 1.3296 1.7030 1.7030 1.8509 1.8509 4.6203 4.6203 4.6728 4.6728 4.9981 4.9981 5.5528 5.5528 5.7463 5.7463 10.5468 10.5468 11.5616 11.5616 k = 0.1186 0.2055 0.3126 ( 2274 PWs) bands (ev): -11.0741 -11.0741 -10.7264 -10.7264 -0.0554 -0.0554 0.2044 0.2044 1.0621 1.0621 1.3670 1.3670 1.7285 1.7285 1.8562 1.8562 4.6164 4.6164 4.6636 4.6636 4.9933 4.9933 5.5565 5.5565 5.7549 5.7549 10.5270 10.5270 11.4939 11.4939 k = 0.1130 0.1957 0.3126 ( 2278 PWs) bands (ev): -11.0914 -11.0914 -10.7348 -10.7348 -0.0423 -0.0423 0.2448 0.2448 1.0669 1.0669 1.4077 1.4077 1.7458 1.7458 1.8667 1.8667 4.6122 4.6122 4.6542 4.6542 4.9872 4.9872 5.5630 5.5630 5.7640 5.7640 10.5038 10.5038 11.4210 11.4210 k = 0.1073 0.1859 0.3126 ( 2278 PWs) bands (ev): -11.1082 -11.1082 -10.7430 -10.7430 -0.0317 -0.0317 0.2863 0.2863 1.0712 1.0712 1.4515 1.4515 1.7530 1.7530 1.8841 1.8841 4.6076 4.6076 4.6448 4.6448 4.9798 4.9798 5.5724 5.5724 5.7736 5.7736 10.4774 10.4774 11.3441 11.3441 k = 0.1017 0.1761 0.3126 ( 2282 PWs) bands (ev): -11.1244 -11.1244 -10.7509 -10.7509 -0.0234 -0.0234 0.3287 0.3287 1.0751 1.0751 1.4977 1.4977 1.7513 1.7513 1.9074 1.9074 4.6025 4.6025 4.6355 4.6355 4.9713 4.9713 5.5845 5.5845 5.7834 5.7834 10.4479 10.4479 11.2641 11.2641 k = 0.0960 0.1664 0.3126 ( 2282 PWs) bands (ev): -11.1400 -11.1400 -10.7586 -10.7586 -0.0172 -0.0172 0.3720 0.3720 1.0784 1.0784 1.5457 1.5457 1.7433 1.7433 1.9342 1.9342 4.5968 4.5968 4.6264 4.6264 4.9617 4.9617 5.5991 5.5991 5.7935 5.7935 10.4157 10.4157 11.1821 11.1821 k = 0.0904 0.1566 0.3126 ( 2278 PWs) bands (ev): -11.1550 -11.1550 -10.7660 -10.7660 -0.0129 -0.0129 0.4160 0.4160 1.0814 1.0814 1.5942 1.5942 1.7319 1.7319 1.9623 1.9623 4.5905 4.5905 4.6175 4.6175 4.9513 4.9513 5.6161 5.6161 5.8036 5.8036 10.3810 10.3810 11.0990 11.0990 k = 0.0847 0.1468 0.3126 ( 2282 PWs) bands (ev): -11.1693 -11.1693 -10.7731 -10.7731 -0.0103 -0.0103 0.4607 0.4607 1.0840 1.0840 1.6390 1.6390 1.7218 1.7218 1.9906 1.9906 4.5836 4.5836 4.6090 4.6090 4.9401 4.9401 5.6352 5.6352 5.8136 5.8136 10.3444 10.3444 11.0156 11.0156 k = 0.0791 0.1370 0.3126 ( 2282 PWs) bands (ev): -11.1828 -11.1828 -10.7799 -10.7799 -0.0090 -0.0090 0.5060 0.5060 1.0861 1.0861 1.6616 1.6616 1.7315 1.7315 2.0186 2.0186 4.5761 4.5761 4.6007 4.6007 4.9283 4.9283 5.6560 5.6560 5.8234 5.8234 10.3065 10.3065 10.9328 10.9328 k = 0.0734 0.1272 0.3126 ( 2290 PWs) bands (ev): -11.1956 -11.1956 -10.7864 -10.7864 -0.0089 -0.0089 0.5518 0.5518 1.0879 1.0879 1.6511 1.6511 1.7718 1.7718 2.0457 2.0457 4.5683 4.5683 4.5924 4.5924 4.9163 4.9163 5.6782 5.6782 5.8330 5.8330 10.2678 10.2678 10.8514 10.8514 k = 0.0678 0.1174 0.3126 ( 2302 PWs) bands (ev): -11.2076 -11.2076 -10.7924 -10.7924 -0.0097 -0.0097 0.5980 0.5980 1.0894 1.0894 1.6288 1.6288 1.8210 1.8210 2.0717 2.0717 4.5603 4.5603 4.5842 4.5842 4.9040 4.9040 5.7015 5.7015 5.8421 5.8421 10.2289 10.2289 10.7720 10.7720 k = 0.0621 0.1076 0.3126 ( 2302 PWs) bands (ev): -11.2187 -11.2187 -10.7981 -10.7981 -0.0112 -0.0112 0.6445 0.6445 1.0907 1.0907 1.6021 1.6021 1.8713 1.8713 2.0965 2.0965 4.5524 4.5524 4.5758 4.5758 4.8919 4.8919 5.7254 5.7254 5.8509 5.8509 10.1905 10.1905 10.6955 10.6955 k = 0.0565 0.0979 0.3126 ( 2306 PWs) bands (ev): -11.2289 -11.2289 -10.8033 -10.8033 -0.0132 -0.0132 0.6912 0.6912 1.0916 1.0916 1.5726 1.5726 1.9205 1.9205 2.1200 2.1200 4.5449 4.5449 4.5673 4.5673 4.8802 4.8802 5.7495 5.7495 5.8591 5.8591 10.1531 10.1531 10.6226 10.6226 k = 0.0508 0.0881 0.3126 ( 2306 PWs) bands (ev): -11.2383 -11.2383 -10.8081 -10.8081 -0.0155 -0.0155 0.7380 0.7380 1.0925 1.0925 1.5408 1.5408 1.9675 1.9675 2.1422 2.1422 4.5377 4.5377 4.5586 4.5586 4.8691 4.8691 5.7733 5.7733 5.8668 5.8668 10.1174 10.1174 10.5540 10.5540 k = 0.0452 0.0783 0.3126 ( 2302 PWs) bands (ev): -11.2467 -11.2467 -10.8124 -10.8124 -0.0179 -0.0179 0.7847 0.7847 1.0931 1.0931 1.5073 1.5073 2.0112 2.0112 2.1631 2.1631 4.5311 4.5311 4.5499 4.5499 4.8587 4.8587 5.7963 5.7963 5.8738 5.8738 10.0839 10.0839 10.4903 10.4903 k = 0.0395 0.0685 0.3126 ( 2300 PWs) bands (ev): -11.2542 -11.2542 -10.8163 -10.8163 -0.0204 -0.0204 0.8311 0.8311 1.0937 1.0937 1.4722 1.4722 2.0508 2.0508 2.1827 2.1827 4.5251 4.5251 4.5413 4.5413 4.8493 4.8493 5.8181 5.8181 5.8802 5.8802 10.0532 10.0532 10.4322 10.4322 k = 0.0339 0.0587 0.3126 ( 2296 PWs) bands (ev): -11.2608 -11.2608 -10.8197 -10.8197 -0.0228 -0.0228 0.8771 0.8771 1.0943 1.0943 1.4358 1.4358 2.0855 2.0855 2.2012 2.2012 4.5198 4.5198 4.5329 4.5329 4.8411 4.8411 5.8381 5.8381 5.8858 5.8858 10.0256 10.0256 10.3804 10.3804 k = 0.0282 0.0489 0.3126 ( 2304 PWs) bands (ev): -11.2664 -11.2664 -10.8226 -10.8226 -0.0249 -0.0249 0.9220 0.9220 1.0951 1.0951 1.3985 1.3985 2.1146 2.1146 2.2185 2.2185 4.5150 4.5150 4.5251 4.5251 4.8339 4.8339 5.8557 5.8557 5.8908 5.8908 10.0015 10.0015 10.3354 10.3354 k = 0.0226 0.0391 0.3126 ( 2296 PWs) bands (ev): -11.2709 -11.2709 -10.8249 -10.8249 -0.0268 -0.0268 0.9655 0.9655 1.0962 1.0962 1.3608 1.3608 2.1377 2.1377 2.2343 2.2343 4.5112 4.5112 4.5184 4.5184 4.8280 4.8280 5.8706 5.8706 5.8951 5.8951 9.9813 9.9813 10.2978 10.2978 k = 0.0169 0.0294 0.3126 ( 2300 PWs) bands (ev): -11.2745 -11.2745 -10.8268 -10.8268 -0.0284 -0.0284 1.0059 1.0059 1.0984 1.0984 1.3234 1.3234 2.1550 2.1550 2.2479 2.2479 4.5079 4.5079 4.5128 4.5128 4.8234 4.8234 5.8822 5.8822 5.8988 5.8988 9.9654 9.9654 10.2681 10.2681 k = 0.0113 0.0196 0.3126 ( 2304 PWs) bands (ev): -11.2770 -11.2770 -10.8281 -10.8281 -0.0295 -0.0295 1.0399 1.0399 1.1032 1.1032 1.2883 1.2883 2.1667 2.1667 2.2585 2.2585 4.5053 4.5053 4.5089 4.5089 4.8201 4.8201 5.8900 5.8900 5.9022 5.9022 9.9538 9.9538 10.2466 10.2466 k = 0.0056 0.0098 0.3126 ( 2296 PWs) bands (ev): -11.2786 -11.2786 -10.8289 -10.8289 -0.0302 -0.0302 1.0612 1.0612 1.1127 1.1127 1.2597 1.2597 2.1736 2.1736 2.2653 2.2653 4.5035 4.5035 4.5068 4.5068 4.8182 4.8182 5.8942 5.8942 5.9049 5.9049 9.9468 9.9468 10.2335 10.2335 k = 0.0000 0.0000 0.3126 ( 2292 PWs) bands (ev): -11.2791 -11.2791 -10.8292 -10.8292 -0.0304 -0.0304 1.0675 1.0675 1.1194 1.1194 1.2476 1.2476 2.1758 2.1758 2.2676 2.2676 4.5028 4.5028 4.5062 4.5062 4.8175 4.8175 5.8954 5.8954 5.9060 5.9060 9.9444 9.9444 10.2292 10.2292 k = 0.5000 0.2887 0.3126 ( 2268 PWs) bands (ev): -10.6204 -10.6204 -10.5877 -10.5877 -1.0299 -1.0299 -0.4768 -0.4768 1.0428 1.0428 1.2138 1.2138 1.3759 1.3759 1.6460 1.6460 4.3548 4.3548 4.8800 4.8800 4.9800 4.9800 5.7972 5.7972 5.9641 5.9641 9.8108 9.8108 10.5731 10.5731 k = 0.5000 0.2887 0.3014 ( 2268 PWs) bands (ev): -10.6210 -10.6210 -10.5871 -10.5871 -1.0298 -1.0298 -0.4755 -0.4755 1.0430 1.0430 1.2126 1.2126 1.3756 1.3756 1.6450 1.6450 4.3549 4.3549 4.8800 4.8800 4.9801 4.9801 5.7976 5.7976 5.9640 5.9640 9.8093 9.8093 10.5770 10.5770 k = 0.5000 0.2887 0.2902 ( 2268 PWs) bands (ev): -10.6227 -10.6227 -10.5854 -10.5854 -1.0293 -1.0293 -0.4715 -0.4715 1.0435 1.0435 1.2089 1.2089 1.3747 1.3747 1.6420 1.6420 4.3550 4.3550 4.8800 4.8800 4.9801 4.9801 5.7987 5.7987 5.9637 5.9637 9.8051 9.8051 10.5884 10.5884 k = 0.5000 0.2887 0.2791 ( 2266 PWs) bands (ev): -10.6253 -10.6253 -10.5829 -10.5829 -1.0286 -1.0286 -0.4651 -0.4651 1.0444 1.0444 1.2029 1.2029 1.3732 1.3732 1.6371 1.6371 4.3553 4.3553 4.8800 4.8800 4.9802 4.9802 5.8005 5.8005 5.9632 5.9632 9.7987 9.7987 10.6065 10.6065 k = 0.5000 0.2887 0.2679 ( 2270 PWs) bands (ev): -10.6284 -10.6284 -10.5799 -10.5799 -1.0274 -1.0274 -0.4561 -0.4561 1.0456 1.0456 1.1947 1.1947 1.3711 1.3711 1.6302 1.6302 4.3556 4.3556 4.8801 4.8801 4.9802 4.9802 5.8030 5.8030 5.9624 5.9624 9.7911 9.7911 10.6303 10.6303 k = 0.5000 0.2887 0.2567 ( 2264 PWs) bands (ev): -10.6318 -10.6318 -10.5766 -10.5766 -1.0260 -1.0260 -0.4448 -0.4448 1.0471 1.0471 1.1845 1.1845 1.3685 1.3685 1.6213 1.6213 4.3560 4.3560 4.8801 4.8801 4.9803 4.9803 5.8061 5.8061 5.9614 5.9614 9.7831 9.7831 10.6585 10.6585 k = 0.5000 0.2887 0.2456 ( 2268 PWs) bands (ev): -10.6354 -10.6354 -10.5731 -10.5731 -1.0241 -1.0241 -0.4311 -0.4311 1.0487 1.0487 1.1724 1.1724 1.3652 1.3652 1.6105 1.6105 4.3565 4.3565 4.8802 4.8802 4.9804 4.9804 5.8098 5.8098 5.9601 5.9601 9.7758 9.7758 10.6898 10.6898 k = 0.5000 0.2887 0.2344 ( 2270 PWs) bands (ev): -10.6392 -10.6392 -10.5695 -10.5695 -1.0218 -1.0218 -0.4154 -0.4154 1.0505 1.0505 1.1590 1.1590 1.3613 1.3613 1.5977 1.5977 4.3570 4.3570 4.8802 4.8802 4.9804 4.9804 5.8142 5.8142 5.9585 5.9585 9.7701 9.7701 10.7230 10.7230 k = 0.5000 0.2887 0.2233 ( 2268 PWs) bands (ev): -10.6430 -10.6430 -10.5659 -10.5659 -1.0190 -1.0190 -0.3977 -0.3977 1.0521 1.0521 1.1446 1.1446 1.3568 1.3568 1.5830 1.5830 4.3576 4.3576 4.8803 4.8803 4.9805 4.9805 5.8191 5.8191 5.9567 5.9567 9.7665 9.7665 10.7569 10.7569 k = 0.5000 0.2887 0.2121 ( 2276 PWs) bands (ev): -10.6467 -10.6467 -10.5624 -10.5624 -1.0158 -1.0158 -0.3783 -0.3783 1.0530 1.0530 1.1300 1.1300 1.3517 1.3517 1.5665 1.5665 4.3581 4.3581 4.8803 4.8803 4.9806 4.9806 5.8243 5.8243 5.9545 5.9545 9.7657 9.7657 10.7905 10.7905 k = 0.5000 0.2887 0.2009 ( 2276 PWs) bands (ev): -10.6504 -10.6504 -10.5589 -10.5589 -1.0121 -1.0121 -0.3573 -0.3573 1.0523 1.0523 1.1163 1.1163 1.3460 1.3460 1.5483 1.5483 4.3588 4.3588 4.8804 4.8804 4.9808 4.9808 5.8300 5.8300 5.9520 5.9520 9.7682 9.7682 10.8230 10.8230 k = 0.5000 0.2887 0.1898 ( 2268 PWs) bands (ev): -10.6540 -10.6540 -10.5555 -10.5555 -1.0080 -1.0080 -0.3349 -0.3349 1.0485 1.0485 1.1056 1.1056 1.3398 1.3398 1.5284 1.5284 4.3594 4.3594 4.8805 4.8805 4.9810 4.9810 5.8361 5.8361 5.9494 5.9494 9.7741 9.7741 10.8537 10.8537 k = 0.5000 0.2887 0.1786 ( 2264 PWs) bands (ev): -10.6575 -10.6575 -10.5522 -10.5522 -1.0034 -1.0034 -0.3114 -0.3114 1.0399 1.0399 1.0996 1.0996 1.3331 1.3331 1.5070 1.5070 4.3601 4.3601 4.8806 4.8806 4.9811 4.9811 5.8424 5.8424 5.9464 5.9464 9.7837 9.7837 10.8822 10.8822 k = 0.5000 0.2887 0.1674 ( 2268 PWs) bands (ev): -10.6609 -10.6609 -10.5490 -10.5490 -0.9984 -0.9984 -0.2870 -0.2870 1.0268 1.0268 1.0983 1.0983 1.3257 1.3257 1.4842 1.4842 4.3607 4.3607 4.8806 4.8806 4.9812 4.9812 5.8488 5.8488 5.9432 5.9432 9.7970 9.7970 10.9080 10.9080 k = 0.5000 0.2887 0.1563 ( 2264 PWs) bands (ev): -10.6642 -10.6642 -10.5460 -10.5460 -0.9930 -0.9930 -0.2620 -0.2620 1.0112 1.0112 1.1002 1.1002 1.3178 1.3178 1.4603 1.4603 4.3613 4.3613 4.8807 4.8807 4.9814 4.9814 5.8553 5.8553 5.9398 5.9398 9.8139 9.8139 10.9311 10.9311 k = 0.5000 0.2887 0.1451 ( 2264 PWs) bands (ev): -10.6673 -10.6673 -10.5431 -10.5431 -0.9874 -0.9874 -0.2366 -0.2366 0.9947 0.9947 1.1040 1.1040 1.3093 1.3093 1.4354 1.4354 4.3619 4.3619 4.8808 4.8808 4.9816 4.9816 5.8618 5.8618 5.9362 5.9362 9.8342 9.8342 10.9513 10.9513 k = 0.5000 0.2887 0.1340 ( 2270 PWs) bands (ev): -10.6702 -10.6702 -10.5404 -10.5404 -0.9815 -0.9815 -0.2112 -0.2112 0.9782 0.9782 1.1088 1.1088 1.3002 1.3002 1.4100 1.4100 4.3623 4.3623 4.8808 4.8808 4.9816 4.9816 5.8682 5.8682 5.9326 5.9326 9.8576 9.8576 10.9687 10.9687 k = 0.5000 0.2887 0.1228 ( 2272 PWs) bands (ev): -10.6729 -10.6729 -10.5379 -10.5379 -0.9755 -0.9755 -0.1861 -0.1861 0.9624 0.9624 1.1145 1.1145 1.2902 1.2902 1.3844 1.3844 4.3628 4.3628 4.8809 4.8809 4.9818 4.9818 5.8743 5.8743 5.9290 5.9290 9.8837 9.8837 10.9834 10.9834 k = 0.5000 0.2887 0.1116 ( 2272 PWs) bands (ev): -10.6755 -10.6755 -10.5356 -10.5356 -0.9695 -0.9695 -0.1615 -0.1615 0.9479 0.9479 1.1207 1.1207 1.2791 1.2791 1.3593 1.3593 4.3632 4.3632 4.8809 4.8809 4.9819 4.9819 5.8801 5.8801 5.9255 5.9255 9.9120 9.9120 10.9956 10.9956 k = 0.5000 0.2887 0.1005 ( 2268 PWs) bands (ev): -10.6778 -10.6778 -10.5335 -10.5335 -0.9635 -0.9635 -0.1379 -0.1379 0.9349 0.9349 1.1274 1.1274 1.2667 1.2667 1.3354 1.3354 4.3636 4.3636 4.8810 4.8810 4.9820 4.9820 5.8855 5.8855 5.9224 5.9224 9.9418 9.9418 11.0054 11.0054 k = 0.5000 0.2887 0.0893 ( 2268 PWs) bands (ev): -10.6799 -10.6799 -10.5316 -10.5316 -0.9577 -0.9577 -0.1155 -0.1155 0.9238 0.9238 1.1343 1.1343 1.2524 1.2524 1.3135 1.3135 4.3639 4.3639 4.8811 4.8811 4.9821 4.9821 5.8903 5.8903 5.9196 5.9196 9.9724 9.9724 11.0131 11.0131 k = 0.5000 0.2887 0.0781 ( 2268 PWs) bands (ev): -10.6818 -10.6818 -10.5299 -10.5299 -0.9523 -0.9523 -0.0948 -0.0948 0.9146 0.9146 1.1414 1.1414 1.2362 1.2362 1.2944 1.2944 4.3642 4.3642 4.8811 4.8811 4.9822 4.9822 5.8941 5.8941 5.9174 5.9174 10.0029 10.0029 11.0189 11.0189 k = 0.5000 0.2887 0.0670 ( 2272 PWs) bands (ev): -10.6834 -10.6834 -10.5284 -10.5284 -0.9473 -0.9473 -0.0760 -0.0760 0.9076 0.9076 1.1483 1.1483 1.2188 1.2188 1.2782 1.2782 4.3645 4.3645 4.8811 4.8811 4.9823 4.9823 5.8968 5.8968 5.9162 5.9162 10.0325 10.0325 11.0232 11.0232 k = 0.5000 0.2887 0.0558 ( 2268 PWs) bands (ev): -10.6848 -10.6848 -10.5271 -10.5271 -0.9428 -0.9428 -0.0596 -0.0596 0.9027 0.9027 1.1543 1.1543 1.2023 1.2023 1.2643 1.2643 4.3647 4.3647 4.8812 4.8812 4.9824 4.9824 5.8981 5.8981 5.9161 5.9161 10.0601 10.0601 11.0260 11.0260 k = 0.5000 0.2887 0.0447 ( 2268 PWs) bands (ev): -10.6860 -10.6860 -10.5261 -10.5261 -0.9390 -0.9390 -0.0457 -0.0457 0.8996 0.8996 1.1567 1.1567 1.1904 1.1904 1.2519 1.2519 4.3649 4.3649 4.8812 4.8812 4.9824 4.9824 5.8983 5.8983 5.9169 5.9169 10.0847 10.0847 11.0278 11.0278 k = 0.5000 0.2887 0.0335 ( 2268 PWs) bands (ev): -10.6869 -10.6869 -10.5253 -10.5253 -0.9359 -0.9359 -0.0346 -0.0346 0.8979 0.8979 1.1520 1.1520 1.1883 1.1883 1.2405 1.2405 4.3651 4.3651 4.8812 4.8812 4.9825 4.9825 5.8979 5.8979 5.9181 5.9181 10.1052 10.1052 11.0289 11.0289 k = 0.5000 0.2887 0.0223 ( 2268 PWs) bands (ev): -10.6875 -10.6875 -10.5247 -10.5247 -0.9336 -0.9336 -0.0266 -0.0266 0.8973 0.8973 1.1437 1.1437 1.1934 1.1934 1.2299 1.2299 4.3652 4.3652 4.8812 4.8812 4.9825 4.9825 5.8974 5.8974 5.9192 5.9192 10.1206 10.1206 11.0294 11.0294 k = 0.5000 0.2887 0.0112 ( 2268 PWs) bands (ev): -10.6879 -10.6879 -10.5243 -10.5243 -0.9322 -0.9322 -0.0217 -0.0217 0.8973 0.8973 1.1373 1.1373 1.2012 1.2012 1.2199 1.2199 4.3652 4.3652 4.8812 4.8812 4.9825 4.9825 5.8970 5.8970 5.9199 5.9199 10.1302 10.1302 11.0296 11.0296 k = 0.5000 0.2887-0.0000 ( 2264 PWs) bands (ev): -10.6880 -10.6880 -10.5242 -10.5242 -0.9318 -0.9318 -0.0201 -0.0201 0.8973 0.8973 1.1350 1.1350 1.2087 1.2087 1.2116 1.2116 4.3653 4.3653 4.8812 4.8812 4.9826 4.9826 5.8969 5.8969 5.9202 5.9202 10.1334 10.1334 11.0296 11.0296 k = 0.3333 0.5774-0.0000 ( 2283 PWs) bands (ev): -10.5483 -10.5483 -10.5467 -10.5467 -0.5018 -0.5018 0.0632 0.0632 0.1112 0.1112 0.9436 0.9436 1.0444 1.0444 1.0568 1.0568 4.6983 4.6983 4.9002 4.9002 4.9877 4.9877 5.6443 5.6443 5.6592 5.6592 10.4117 10.4117 13.1187 13.1187 k = 0.3333 0.5774 0.0112 ( 2271 PWs) bands (ev): -10.5483 -10.5483 -10.5467 -10.5467 -0.5012 -0.5012 0.0618 0.0618 0.1097 0.1097 0.9429 0.9429 1.0461 1.0461 1.0584 1.0584 4.6984 4.6984 4.9001 4.9001 4.9876 4.9876 5.6450 5.6450 5.6599 5.6599 10.4136 10.4136 13.1186 13.1186 k = 0.3333 0.5774 0.0223 ( 2271 PWs) bands (ev): -10.5483 -10.5483 -10.5467 -10.5467 -0.4994 -0.4994 0.0576 0.0576 0.1052 0.1052 0.9406 0.9406 1.0510 1.0510 1.0630 1.0630 4.6985 4.6985 4.8998 4.8998 4.9871 4.9871 5.6470 5.6470 5.6617 5.6617 10.4196 10.4196 13.1181 13.1181 k = 0.3333 0.5774 0.0335 ( 2265 PWs) bands (ev): -10.5483 -10.5483 -10.5466 -10.5466 -0.4965 -0.4965 0.0508 0.0508 0.0979 0.0979 0.9367 0.9367 1.0590 1.0590 1.0706 1.0706 4.6989 4.6989 4.8991 4.8991 4.9863 4.9863 5.6502 5.6502 5.6647 5.6647 10.4294 10.4294 13.1170 13.1170 k = 0.3333 0.5774 0.0447 ( 2265 PWs) bands (ev): -10.5482 -10.5482 -10.5466 -10.5466 -0.4925 -0.4925 0.0414 0.0414 0.0880 0.0880 0.9310 0.9310 1.0699 1.0699 1.0812 1.0812 4.6992 4.6992 4.8983 4.8983 4.9852 4.9852 5.6546 5.6546 5.6688 5.6688 10.4430 10.4430 13.1124 13.1125 k = 0.3333 0.5774 0.0558 ( 2253 PWs) bands (ev): -10.5481 -10.5481 -10.5465 -10.5465 -0.4873 -0.4873 0.0299 0.0299 0.0759 0.0759 0.9235 0.9235 1.0833 1.0833 1.0945 1.0945 4.6998 4.6998 4.8972 4.8972 4.9839 4.9839 5.6603 5.6603 5.6741 5.6741 10.4603 10.4603 13.0842 13.0861 k = 0.3333 0.5774 0.0670 ( 2250 PWs) bands (ev): -10.5480 -10.5480 -10.5464 -10.5464 -0.4811 -0.4811 0.0165 0.0165 0.0617 0.0617 0.9142 0.9142 1.0991 1.0991 1.1102 1.1102 4.7002 4.7002 4.8960 4.8960 4.9824 4.9824 5.6671 5.6671 5.6805 5.6805 10.4811 10.4811 13.0393 13.0396 k = 0.3333 0.5774 0.0781 ( 2250 PWs) bands (ev): -10.5479 -10.5479 -10.5463 -10.5463 -0.4738 -0.4738 0.0015 0.0015 0.0460 0.0460 0.9031 0.9031 1.1167 1.1167 1.1280 1.1280 4.7008 4.7008 4.8945 4.8945 4.9806 4.9806 5.6749 5.6749 5.6878 5.6878 10.5053 10.5053 12.9879 12.9880 k = 0.3333 0.5774 0.0893 ( 2250 PWs) bands (ev): -10.5478 -10.5478 -10.5462 -10.5462 -0.4655 -0.4655 -0.0147 -0.0147 0.0290 0.0290 0.8904 0.8904 1.1359 1.1359 1.1475 1.1475 4.7014 4.7014 4.8928 4.8928 4.9786 4.9786 5.6836 5.6836 5.6959 5.6959 10.5327 10.5327 12.9324 12.9324 k = 0.3333 0.5774 0.1005 ( 2250 PWs) bands (ev): -10.5477 -10.5477 -10.5460 -10.5460 -0.4563 -0.4563 -0.0319 -0.0319 0.0110 0.0110 0.8763 0.8763 1.1563 1.1563 1.1683 1.1683 4.7021 4.7021 4.8911 4.8911 4.9764 4.9764 5.6932 5.6932 5.7049 5.7049 10.5629 10.5629 12.8735 12.8736 k = 0.3333 0.5774 0.1116 ( 2250 PWs) bands (ev): -10.5475 -10.5475 -10.5459 -10.5459 -0.4462 -0.4462 -0.0496 -0.0496 -0.0075 -0.0075 0.8608 0.8608 1.1776 1.1776 1.1900 1.1900 4.7029 4.7029 4.8892 4.8892 4.9742 4.9742 5.7035 5.7035 5.7146 5.7146 10.5957 10.5957 12.8124 12.8124 k = 0.3333 0.5774 0.1228 ( 2259 PWs) bands (ev): -10.5474 -10.5474 -10.5458 -10.5458 -0.4352 -0.4352 -0.0678 -0.0678 -0.0263 -0.0263 0.8441 0.8441 1.1994 1.1994 1.2123 1.2123 4.7036 4.7036 4.8872 4.8872 4.9718 4.9718 5.7143 5.7143 5.7248 5.7248 10.6309 10.6309 12.7500 12.7500 k = 0.3333 0.5774 0.1340 ( 2265 PWs) bands (ev): -10.5472 -10.5472 -10.5456 -10.5456 -0.4236 -0.4236 -0.0860 -0.0860 -0.0452 -0.0452 0.8264 0.8264 1.2214 1.2214 1.2348 1.2348 4.7044 4.7044 4.8852 4.8852 4.9694 4.9694 5.7257 5.7257 5.7355 5.7355 10.6679 10.6679 12.6870 12.6870 k = 0.3333 0.5774 0.1451 ( 2271 PWs) bands (ev): -10.5471 -10.5471 -10.5455 -10.5455 -0.4113 -0.4113 -0.1041 -0.1041 -0.0640 -0.0640 0.8079 0.8079 1.2434 1.2434 1.2573 1.2573 4.7053 4.7053 4.8831 4.8831 4.9670 4.9670 5.7374 5.7374 5.7465 5.7465 10.7065 10.7065 12.6242 12.6242 k = 0.3333 0.5774 0.1563 ( 2265 PWs) bands (ev): -10.5469 -10.5469 -10.5453 -10.5453 -0.3986 -0.3986 -0.1218 -0.1218 -0.0822 -0.0822 0.7888 0.7888 1.2651 1.2651 1.2796 1.2796 4.7062 4.7062 4.8811 4.8811 4.9646 4.9646 5.7494 5.7494 5.7579 5.7579 10.7461 10.7461 12.5623 12.5623 k = 0.3333 0.5774 0.1674 ( 2277 PWs) bands (ev): -10.5468 -10.5468 -10.5451 -10.5451 -0.3854 -0.3854 -0.1390 -0.1390 -0.1000 -0.1000 0.7693 0.7693 1.2862 1.2862 1.3012 1.3012 4.7068 4.7068 4.8791 4.8791 4.9623 4.9623 5.7613 5.7613 5.7692 5.7692 10.7865 10.7865 12.5019 12.5019 k = 0.3333 0.5774 0.1786 ( 2277 PWs) bands (ev): -10.5466 -10.5466 -10.5450 -10.5450 -0.3720 -0.3720 -0.1555 -0.1555 -0.1169 -0.1169 0.7496 0.7496 1.3066 1.3066 1.3220 1.3220 4.7076 4.7076 4.8772 4.8772 4.9601 4.9601 5.7733 5.7733 5.7806 5.7806 10.8270 10.8270 12.4436 12.4436 k = 0.3333 0.5774 0.1898 ( 2277 PWs) bands (ev): -10.5465 -10.5465 -10.5448 -10.5448 -0.3586 -0.3586 -0.1712 -0.1712 -0.1329 -0.1329 0.7300 0.7300 1.3260 1.3260 1.3419 1.3419 4.7084 4.7084 4.8754 4.8754 4.9579 4.9579 5.7850 5.7850 5.7917 5.7917 10.8671 10.8671 12.3879 12.3879 k = 0.3333 0.5774 0.2009 ( 2277 PWs) bands (ev): -10.5463 -10.5463 -10.5447 -10.5447 -0.3452 -0.3452 -0.1858 -0.1858 -0.1478 -0.1478 0.7107 0.7107 1.3443 1.3443 1.3606 1.3606 4.7092 4.7092 4.8736 4.8736 4.9559 4.9559 5.7963 5.7963 5.8025 5.8025 10.9064 10.9064 12.3354 12.3354 k = 0.3333 0.5774 0.2121 ( 2271 PWs) bands (ev): -10.5462 -10.5462 -10.5446 -10.5446 -0.3322 -0.3322 -0.1994 -0.1994 -0.1616 -0.1616 0.6920 0.6920 1.3614 1.3614 1.3780 1.3780 4.7098 4.7098 4.8720 4.8720 4.9541 4.9541 5.8072 5.8072 5.8128 5.8128 10.9442 10.9442 12.2864 12.2864 k = 0.3333 0.5774 0.2233 ( 2268 PWs) bands (ev): -10.5460 -10.5460 -10.5444 -10.5444 -0.3197 -0.3197 -0.2118 -0.2118 -0.1741 -0.1741 0.6741 0.6741 1.3770 1.3770 1.3940 1.3940 4.7106 4.7106 4.8705 4.8705 4.9523 4.9523 5.8173 5.8173 5.8224 5.8224 10.9801 10.9801 12.2415 12.2415 k = 0.3333 0.5774 0.2344 ( 2268 PWs) bands (ev): -10.5459 -10.5459 -10.5443 -10.5443 -0.3080 -0.3080 -0.2230 -0.2230 -0.1852 -0.1852 0.6574 0.6574 1.3911 1.3911 1.4083 1.4083 4.7111 4.7111 4.8692 4.8692 4.9508 4.9508 5.8266 5.8266 5.8313 5.8313 11.0134 11.0134 12.2009 12.2009 k = 0.3333 0.5774 0.2456 ( 2262 PWs) bands (ev): -10.5458 -10.5458 -10.5442 -10.5442 -0.2973 -0.2973 -0.2327 -0.2327 -0.1948 -0.1948 0.6421 0.6421 1.4035 1.4035 1.4210 1.4210 4.7117 4.7117 4.8680 4.8680 4.9494 4.9494 5.8351 5.8351 5.8393 5.8393 11.0436 11.0436 12.1650 12.1650 k = 0.3333 0.5774 0.2567 ( 2262 PWs) bands (ev): -10.5457 -10.5457 -10.5441 -10.5441 -0.2879 -0.2879 -0.2411 -0.2411 -0.2028 -0.2028 0.6286 0.6286 1.4142 1.4142 1.4319 1.4319 4.7122 4.7122 4.8669 4.8669 4.9483 4.9483 5.8424 5.8424 5.8463 5.8463 11.0701 11.0701 12.1342 12.1342 k = 0.3333 0.5774 0.2679 ( 2265 PWs) bands (ev): -10.5457 -10.5457 -10.5440 -10.5440 -0.2801 -0.2801 -0.2481 -0.2481 -0.2092 -0.2092 0.6170 0.6170 1.4230 1.4230 1.4409 1.4409 4.7126 4.7126 4.8660 4.8660 4.9473 4.9473 5.8485 5.8485 5.8521 5.8521 11.0926 11.0926 12.1086 12.1086 k = 0.3333 0.5774 0.2791 ( 2259 PWs) bands (ev): -10.5456 -10.5456 -10.5440 -10.5440 -0.2740 -0.2740 -0.2535 -0.2535 -0.2139 -0.2139 0.6077 0.6077 1.4299 1.4299 1.4479 1.4479 4.7129 4.7129 4.8654 4.8654 4.9465 4.9465 5.8534 5.8534 5.8568 5.8568 11.1105 11.1105 12.0884 12.0884 k = 0.3333 0.5774 0.2902 ( 2259 PWs) bands (ev): -10.5455 -10.5455 -10.5439 -10.5439 -0.2698 -0.2698 -0.2574 -0.2574 -0.2170 -0.2170 0.6009 0.6009 1.4349 1.4349 1.4530 1.4530 4.7131 4.7131 4.8649 4.8649 4.9460 4.9460 5.8569 5.8569 5.8602 5.8602 11.1236 11.1236 12.0739 12.0739 k = 0.3333 0.5774 0.3014 ( 2259 PWs) bands (ev): -10.5455 -10.5455 -10.5439 -10.5439 -0.2674 -0.2674 -0.2597 -0.2597 -0.2188 -0.2188 0.5968 0.5968 1.4379 1.4379 1.4561 1.4561 4.7132 4.7132 4.8646 4.8646 4.9457 4.9457 5.8590 5.8590 5.8622 5.8622 11.1316 11.1316 12.0652 12.0652 k = 0.3333 0.5774 0.3126 ( 2262 PWs) bands (ev): -10.5455 -10.5455 -10.5439 -10.5439 -0.2666 -0.2666 -0.2605 -0.2605 -0.2193 -0.2193 0.5954 0.5954 1.4389 1.4389 1.4571 1.4571 4.7132 4.7132 4.8645 4.8645 4.9455 4.9455 5.8598 5.8598 5.8629 5.8629 11.1342 11.1342 12.0623 12.0623 Writing output data file FeCl2.save init_run : 0.15s CPU 0.28s WALL ( 1 calls) electrons : 58.30s CPU 60.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.00s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 58.30s CPU 60.86s 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 : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 373 calls) cegterg : 52.94s CPU 53.89s WALL ( 455 calls) Called by sum_band: Called by *egterg: h_psi : 28.45s CPU 29.36s WALL ( 7487 calls) s_psi : 1.63s CPU 1.70s WALL ( 7487 calls) g_psi : 0.08s CPU 0.07s WALL ( 6659 calls) cdiaghg : 21.92s CPU 22.20s WALL ( 7032 calls) cegterg:over : 1.70s CPU 1.65s WALL ( 6659 calls) cegterg:upda : 1.16s CPU 1.14s WALL ( 6659 calls) cegterg:last : 0.68s CPU 0.70s WALL ( 1201 calls) cdiaghg:chol : 1.14s CPU 1.15s WALL ( 7032 calls) cdiaghg:inve : 0.41s CPU 0.42s WALL ( 7032 calls) cdiaghg:para : 1.26s CPU 1.40s WALL ( 14064 calls) Called by h_psi: h_psi:vloc : 24.63s CPU 25.47s WALL ( 7487 calls) h_psi:vnl : 3.79s CPU 3.85s WALL ( 7487 calls) add_vuspsi : 2.09s CPU 2.13s WALL ( 7487 calls) General routines calbec : 1.67s CPU 1.70s WALL ( 7487 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 23.43s CPU 24.12s WALL ( 450068 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.11s WALL ( 746 calls) Parallel routines fft_scatter : 9.79s CPU 10.13s WALL ( 450091 calls) PWSCF : 1m 7.25s CPU 1m38.64s WALL This run was terminated on: 16:48:45 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=