Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:27:16 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: ./CsAu3Se2.save/ file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 114 86 23 4914 3206 469 Max 115 87 25 4917 3229 472 Sum 4105 3103 859 176957 115851 16931 bravais-lattice index = 14 lattice parameter (alat) = 11.8694 a.u. unit-cell volume = 1200.0669 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.869369 celldm(2)= 1.000000 celldm(3)= 0.828690 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 0.828690 ) 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 1.206724 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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. # 3 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Au 11.00 196.96660 Au( 1.00) Cs 9.00 132.90550 Cs( 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= 262 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 2) = ( 0.0172414 0.0099543 -0.0000000), wk = 0.0038168 k( 3) = ( 0.0344828 0.0199086 -0.0000000), wk = 0.0038168 k( 4) = ( 0.0517241 0.0298629 -0.0000000), wk = 0.0038168 k( 5) = ( 0.0689655 0.0398173 -0.0000000), wk = 0.0038168 k( 6) = ( 0.0862069 0.0497716 -0.0000000), wk = 0.0038168 k( 7) = ( 0.1034483 0.0597259 -0.0000000), wk = 0.0038168 k( 8) = ( 0.1206897 0.0696802 -0.0000000), wk = 0.0038168 k( 9) = ( 0.1379310 0.0796345 -0.0000000), wk = 0.0038168 k( 10) = ( 0.1551724 0.0895888 -0.0000000), wk = 0.0038168 k( 11) = ( 0.1724138 0.0995431 -0.0000000), wk = 0.0038168 k( 12) = ( 0.1896552 0.1094975 -0.0000000), wk = 0.0038168 k( 13) = ( 0.2068966 0.1194518 -0.0000000), wk = 0.0038168 k( 14) = ( 0.2241379 0.1294061 -0.0000000), wk = 0.0038168 k( 15) = ( 0.2413793 0.1393604 -0.0000000), wk = 0.0038168 k( 16) = ( 0.2586207 0.1493147 -0.0000000), wk = 0.0038168 k( 17) = ( 0.2758621 0.1592690 -0.0000000), wk = 0.0038168 k( 18) = ( 0.2931034 0.1692234 -0.0000000), wk = 0.0038168 k( 19) = ( 0.3103448 0.1791777 -0.0000000), wk = 0.0038168 k( 20) = ( 0.3275862 0.1891320 -0.0000000), wk = 0.0038168 k( 21) = ( 0.3448276 0.1990863 -0.0000000), wk = 0.0038168 k( 22) = ( 0.3620690 0.2090406 -0.0000000), wk = 0.0038168 k( 23) = ( 0.3793103 0.2189949 -0.0000000), wk = 0.0038168 k( 24) = ( 0.3965517 0.2289492 -0.0000000), wk = 0.0038168 k( 25) = ( 0.4137931 0.2389036 -0.0000000), wk = 0.0038168 k( 26) = ( 0.4310345 0.2488579 -0.0000000), wk = 0.0038168 k( 27) = ( 0.4482759 0.2588122 -0.0000000), wk = 0.0038168 k( 28) = ( 0.4655172 0.2687665 -0.0000000), wk = 0.0038168 k( 29) = ( 0.4827586 0.2787208 -0.0000000), wk = 0.0038168 k( 30) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0038168 k( 31) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0038168 k( 32) = ( 0.4901961 0.3056560 -0.0000000), wk = 0.0038168 k( 33) = ( 0.4803922 0.3226369 -0.0000000), wk = 0.0038168 k( 34) = ( 0.4705882 0.3396178 -0.0000000), wk = 0.0038168 k( 35) = ( 0.4607843 0.3565987 -0.0000000), wk = 0.0038168 k( 36) = ( 0.4509804 0.3735796 -0.0000000), wk = 0.0038168 k( 37) = ( 0.4411765 0.3905605 -0.0000000), wk = 0.0038168 k( 38) = ( 0.4313726 0.4075414 -0.0000000), wk = 0.0038168 k( 39) = ( 0.4215686 0.4245223 -0.0000000), wk = 0.0038168 k( 40) = ( 0.4117647 0.4415032 -0.0000000), wk = 0.0038168 k( 41) = ( 0.4019608 0.4584840 -0.0000000), wk = 0.0038168 k( 42) = ( 0.3921569 0.4754649 -0.0000000), wk = 0.0038168 k( 43) = ( 0.3823529 0.4924458 -0.0000000), wk = 0.0038168 k( 44) = ( 0.3725490 0.5094267 -0.0000000), wk = 0.0038168 k( 45) = ( 0.3627451 0.5264076 -0.0000000), wk = 0.0038168 k( 46) = ( 0.3529412 0.5433885 -0.0000000), wk = 0.0038168 k( 47) = ( 0.3431373 0.5603694 -0.0000000), wk = 0.0038168 k( 48) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0038168 k( 49) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0038168 k( 50) = ( 0.3235294 0.5603694 -0.0000000), wk = 0.0038168 k( 51) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0038168 k( 52) = ( 0.3039216 0.5264076 -0.0000000), wk = 0.0038168 k( 53) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0038168 k( 54) = ( 0.2843137 0.4924458 -0.0000000), wk = 0.0038168 k( 55) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0038168 k( 56) = ( 0.2647059 0.4584840 -0.0000000), wk = 0.0038168 k( 57) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0038168 k( 58) = ( 0.2450980 0.4245223 -0.0000000), wk = 0.0038168 k( 59) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0038168 k( 60) = ( 0.2254902 0.3905605 -0.0000000), wk = 0.0038168 k( 61) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0038168 k( 62) = ( 0.2058823 0.3565987 -0.0000000), wk = 0.0038168 k( 63) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0038168 k( 64) = ( 0.1862745 0.3226369 -0.0000000), wk = 0.0038168 k( 65) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0038168 k( 66) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0038168 k( 67) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0038168 k( 68) = ( 0.1470588 0.2547133 -0.0000000), wk = 0.0038168 k( 69) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0038168 k( 70) = ( 0.1274510 0.2207516 -0.0000000), wk = 0.0038168 k( 71) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0038168 k( 72) = ( 0.1078431 0.1867898 -0.0000000), wk = 0.0038168 k( 73) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0038168 k( 74) = ( 0.0882353 0.1528280 -0.0000000), wk = 0.0038168 k( 75) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0038168 k( 76) = ( 0.0686275 0.1188662 -0.0000000), wk = 0.0038168 k( 77) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0038168 k( 78) = ( 0.0490196 0.0849045 -0.0000000), wk = 0.0038168 k( 79) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0038168 k( 80) = ( 0.0294118 0.0509427 -0.0000000), wk = 0.0038168 k( 81) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0038168 k( 82) = ( 0.0098039 0.0169809 -0.0000000), wk = 0.0038168 k( 83) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 84) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 85) = ( 0.0000000 0.0000000 0.0194633), wk = 0.0038168 k( 86) = ( 0.0000000 0.0000000 0.0389266), wk = 0.0038168 k( 87) = ( 0.0000000 0.0000000 0.0583899), wk = 0.0038168 k( 88) = ( 0.0000000 0.0000000 0.0778532), wk = 0.0038168 k( 89) = ( 0.0000000 0.0000000 0.0973165), wk = 0.0038168 k( 90) = ( 0.0000000 0.0000000 0.1167798), wk = 0.0038168 k( 91) = ( 0.0000000 0.0000000 0.1362431), wk = 0.0038168 k( 92) = ( 0.0000000 0.0000000 0.1557064), wk = 0.0038168 k( 93) = ( 0.0000000 0.0000000 0.1751697), wk = 0.0038168 k( 94) = ( 0.0000000 0.0000000 0.1946329), wk = 0.0038168 k( 95) = ( 0.0000000 0.0000000 0.2140962), wk = 0.0038168 k( 96) = ( 0.0000000 0.0000000 0.2335595), wk = 0.0038168 k( 97) = ( 0.0000000 0.0000000 0.2530228), wk = 0.0038168 k( 98) = ( 0.0000000 0.0000000 0.2724861), wk = 0.0038168 k( 99) = ( 0.0000000 0.0000000 0.2919494), wk = 0.0038168 k( 100) = ( 0.0000000 0.0000000 0.3114127), wk = 0.0038168 k( 101) = ( 0.0000000 0.0000000 0.3308760), wk = 0.0038168 k( 102) = ( 0.0000000 0.0000000 0.3503393), wk = 0.0038168 k( 103) = ( 0.0000000 0.0000000 0.3698026), wk = 0.0038168 k( 104) = ( 0.0000000 0.0000000 0.3892659), wk = 0.0038168 k( 105) = ( 0.0000000 0.0000000 0.4087292), wk = 0.0038168 k( 106) = ( 0.0000000 0.0000000 0.4281925), wk = 0.0038168 k( 107) = ( 0.0000000 0.0000000 0.4476558), wk = 0.0038168 k( 108) = ( 0.0000000 0.0000000 0.4671191), wk = 0.0038168 k( 109) = ( 0.0000000 0.0000000 0.4865824), wk = 0.0038168 k( 110) = ( 0.0000000 0.0000000 0.5060457), wk = 0.0038168 k( 111) = ( 0.0000000 0.0000000 0.5255090), wk = 0.0038168 k( 112) = ( 0.0000000 0.0000000 0.5449723), wk = 0.0038168 k( 113) = ( 0.0000000 0.0000000 0.5644356), wk = 0.0038168 k( 114) = ( 0.0000000 0.0000000 0.5838989), wk = 0.0038168 k( 115) = ( 0.0000000 0.0000000 0.6033622), wk = 0.0038168 k( 116) = ( 0.0000000 0.0000000 0.6033622), wk = 0.0038168 k( 117) = ( 0.0172414 0.0099543 0.6033622), wk = 0.0038168 k( 118) = ( 0.0344828 0.0199086 0.6033622), wk = 0.0038168 k( 119) = ( 0.0517241 0.0298629 0.6033622), wk = 0.0038168 k( 120) = ( 0.0689655 0.0398173 0.6033622), wk = 0.0038168 k( 121) = ( 0.0862069 0.0497716 0.6033622), wk = 0.0038168 k( 122) = ( 0.1034483 0.0597259 0.6033622), wk = 0.0038168 k( 123) = ( 0.1206897 0.0696802 0.6033622), wk = 0.0038168 k( 124) = ( 0.1379310 0.0796345 0.6033622), wk = 0.0038168 k( 125) = ( 0.1551724 0.0895888 0.6033622), wk = 0.0038168 k( 126) = ( 0.1724138 0.0995431 0.6033622), wk = 0.0038168 k( 127) = ( 0.1896552 0.1094975 0.6033622), wk = 0.0038168 k( 128) = ( 0.2068966 0.1194518 0.6033622), wk = 0.0038168 k( 129) = ( 0.2241379 0.1294061 0.6033622), wk = 0.0038168 k( 130) = ( 0.2413793 0.1393604 0.6033622), wk = 0.0038168 k( 131) = ( 0.2586207 0.1493147 0.6033622), wk = 0.0038168 k( 132) = ( 0.2758621 0.1592690 0.6033622), wk = 0.0038168 k( 133) = ( 0.2931034 0.1692234 0.6033622), wk = 0.0038168 k( 134) = ( 0.3103448 0.1791777 0.6033622), wk = 0.0038168 k( 135) = ( 0.3275862 0.1891320 0.6033622), wk = 0.0038168 k( 136) = ( 0.3448276 0.1990863 0.6033622), wk = 0.0038168 k( 137) = ( 0.3620690 0.2090406 0.6033622), wk = 0.0038168 k( 138) = ( 0.3793103 0.2189949 0.6033622), wk = 0.0038168 k( 139) = ( 0.3965517 0.2289492 0.6033622), wk = 0.0038168 k( 140) = ( 0.4137931 0.2389036 0.6033622), wk = 0.0038168 k( 141) = ( 0.4310345 0.2488579 0.6033622), wk = 0.0038168 k( 142) = ( 0.4482759 0.2588122 0.6033622), wk = 0.0038168 k( 143) = ( 0.4655172 0.2687665 0.6033622), wk = 0.0038168 k( 144) = ( 0.4827586 0.2787208 0.6033622), wk = 0.0038168 k( 145) = ( 0.5000000 0.2886751 0.6033622), wk = 0.0038168 k( 146) = ( 0.5000000 0.2886751 0.6033622), wk = 0.0038168 k( 147) = ( 0.4901961 0.3056560 0.6033622), wk = 0.0038168 k( 148) = ( 0.4803922 0.3226369 0.6033622), wk = 0.0038168 k( 149) = ( 0.4705882 0.3396178 0.6033622), wk = 0.0038168 k( 150) = ( 0.4607843 0.3565987 0.6033622), wk = 0.0038168 k( 151) = ( 0.4509804 0.3735796 0.6033622), wk = 0.0038168 k( 152) = ( 0.4411765 0.3905605 0.6033622), wk = 0.0038168 k( 153) = ( 0.4313726 0.4075414 0.6033622), wk = 0.0038168 k( 154) = ( 0.4215686 0.4245223 0.6033622), wk = 0.0038168 k( 155) = ( 0.4117647 0.4415032 0.6033622), wk = 0.0038168 k( 156) = ( 0.4019608 0.4584840 0.6033622), wk = 0.0038168 k( 157) = ( 0.3921569 0.4754649 0.6033622), wk = 0.0038168 k( 158) = ( 0.3823529 0.4924458 0.6033622), wk = 0.0038168 k( 159) = ( 0.3725490 0.5094267 0.6033622), wk = 0.0038168 k( 160) = ( 0.3627451 0.5264076 0.6033622), wk = 0.0038168 k( 161) = ( 0.3529412 0.5433885 0.6033622), wk = 0.0038168 k( 162) = ( 0.3431373 0.5603694 0.6033622), wk = 0.0038168 k( 163) = ( 0.3333333 0.5773503 0.6033622), wk = 0.0038168 k( 164) = ( 0.3333333 0.5773503 0.6033622), wk = 0.0038168 k( 165) = ( 0.3235294 0.5603694 0.6033622), wk = 0.0038168 k( 166) = ( 0.3137255 0.5433885 0.6033622), wk = 0.0038168 k( 167) = ( 0.3039216 0.5264076 0.6033622), wk = 0.0038168 k( 168) = ( 0.2941177 0.5094267 0.6033622), wk = 0.0038168 k( 169) = ( 0.2843137 0.4924458 0.6033622), wk = 0.0038168 k( 170) = ( 0.2745098 0.4754649 0.6033622), wk = 0.0038168 k( 171) = ( 0.2647059 0.4584840 0.6033622), wk = 0.0038168 k( 172) = ( 0.2549020 0.4415031 0.6033622), wk = 0.0038168 k( 173) = ( 0.2450980 0.4245223 0.6033622), wk = 0.0038168 k( 174) = ( 0.2352941 0.4075414 0.6033622), wk = 0.0038168 k( 175) = ( 0.2254902 0.3905605 0.6033622), wk = 0.0038168 k( 176) = ( 0.2156863 0.3735796 0.6033622), wk = 0.0038168 k( 177) = ( 0.2058823 0.3565987 0.6033622), wk = 0.0038168 k( 178) = ( 0.1960784 0.3396178 0.6033622), wk = 0.0038168 k( 179) = ( 0.1862745 0.3226369 0.6033622), wk = 0.0038168 k( 180) = ( 0.1764706 0.3056560 0.6033622), wk = 0.0038168 k( 181) = ( 0.1666667 0.2886751 0.6033622), wk = 0.0038168 k( 182) = ( 0.1568627 0.2716943 0.6033622), wk = 0.0038168 k( 183) = ( 0.1470588 0.2547133 0.6033622), wk = 0.0038168 k( 184) = ( 0.1372549 0.2377325 0.6033622), wk = 0.0038168 k( 185) = ( 0.1274510 0.2207516 0.6033622), wk = 0.0038168 k( 186) = ( 0.1176471 0.2037707 0.6033622), wk = 0.0038168 k( 187) = ( 0.1078431 0.1867898 0.6033622), wk = 0.0038168 k( 188) = ( 0.0980392 0.1698089 0.6033622), wk = 0.0038168 k( 189) = ( 0.0882353 0.1528280 0.6033622), wk = 0.0038168 k( 190) = ( 0.0784314 0.1358471 0.6033622), wk = 0.0038168 k( 191) = ( 0.0686275 0.1188662 0.6033622), wk = 0.0038168 k( 192) = ( 0.0588235 0.1018853 0.6033622), wk = 0.0038168 k( 193) = ( 0.0490196 0.0849045 0.6033622), wk = 0.0038168 k( 194) = ( 0.0392157 0.0679236 0.6033622), wk = 0.0038168 k( 195) = ( 0.0294118 0.0509427 0.6033622), wk = 0.0038168 k( 196) = ( 0.0196078 0.0339618 0.6033622), wk = 0.0038168 k( 197) = ( 0.0098039 0.0169809 0.6033622), wk = 0.0038168 k( 198) = ( 0.0000000 0.0000000 0.6033622), wk = 0.0038168 k( 199) = ( 0.5000000 0.2886751 0.6033622), wk = 0.0038168 k( 200) = ( 0.5000000 0.2886751 0.5838989), wk = 0.0038168 k( 201) = ( 0.5000000 0.2886751 0.5644356), wk = 0.0038168 k( 202) = ( 0.5000000 0.2886751 0.5449723), wk = 0.0038168 k( 203) = ( 0.5000000 0.2886751 0.5255090), wk = 0.0038168 k( 204) = ( 0.5000000 0.2886751 0.5060457), wk = 0.0038168 k( 205) = ( 0.5000000 0.2886751 0.4865824), wk = 0.0038168 k( 206) = ( 0.5000000 0.2886751 0.4671191), wk = 0.0038168 k( 207) = ( 0.5000000 0.2886751 0.4476558), wk = 0.0038168 k( 208) = ( 0.5000000 0.2886751 0.4281925), wk = 0.0038168 k( 209) = ( 0.5000000 0.2886751 0.4087292), wk = 0.0038168 k( 210) = ( 0.5000000 0.2886751 0.3892659), wk = 0.0038168 k( 211) = ( 0.5000000 0.2886751 0.3698026), wk = 0.0038168 k( 212) = ( 0.5000000 0.2886751 0.3503393), wk = 0.0038168 k( 213) = ( 0.5000000 0.2886751 0.3308760), wk = 0.0038168 k( 214) = ( 0.5000000 0.2886751 0.3114127), wk = 0.0038168 k( 215) = ( 0.5000000 0.2886751 0.2919494), wk = 0.0038168 k( 216) = ( 0.5000000 0.2886751 0.2724861), wk = 0.0038168 k( 217) = ( 0.5000000 0.2886751 0.2530228), wk = 0.0038168 k( 218) = ( 0.5000000 0.2886751 0.2335595), wk = 0.0038168 k( 219) = ( 0.5000000 0.2886751 0.2140962), wk = 0.0038168 k( 220) = ( 0.5000000 0.2886751 0.1946329), wk = 0.0038168 k( 221) = ( 0.5000000 0.2886751 0.1751697), wk = 0.0038168 k( 222) = ( 0.5000000 0.2886751 0.1557064), wk = 0.0038168 k( 223) = ( 0.5000000 0.2886751 0.1362431), wk = 0.0038168 k( 224) = ( 0.5000000 0.2886751 0.1167798), wk = 0.0038168 k( 225) = ( 0.5000000 0.2886751 0.0973165), wk = 0.0038168 k( 226) = ( 0.5000000 0.2886751 0.0778532), wk = 0.0038168 k( 227) = ( 0.5000000 0.2886751 0.0583899), wk = 0.0038168 k( 228) = ( 0.5000000 0.2886751 0.0389266), wk = 0.0038168 k( 229) = ( 0.5000000 0.2886751 0.0194633), wk = 0.0038168 k( 230) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0038168 k( 231) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0038168 k( 232) = ( 0.3333333 0.5773503 0.0194633), wk = 0.0038168 k( 233) = ( 0.3333333 0.5773503 0.0389266), wk = 0.0038168 k( 234) = ( 0.3333333 0.5773503 0.0583899), wk = 0.0038168 k( 235) = ( 0.3333333 0.5773503 0.0778532), wk = 0.0038168 k( 236) = ( 0.3333333 0.5773503 0.0973165), wk = 0.0038168 k( 237) = ( 0.3333333 0.5773503 0.1167798), wk = 0.0038168 k( 238) = ( 0.3333333 0.5773503 0.1362431), wk = 0.0038168 k( 239) = ( 0.3333333 0.5773503 0.1557064), wk = 0.0038168 k( 240) = ( 0.3333333 0.5773503 0.1751697), wk = 0.0038168 k( 241) = ( 0.3333333 0.5773503 0.1946329), wk = 0.0038168 k( 242) = ( 0.3333333 0.5773503 0.2140962), wk = 0.0038168 k( 243) = ( 0.3333333 0.5773503 0.2335595), wk = 0.0038168 k( 244) = ( 0.3333333 0.5773503 0.2530228), wk = 0.0038168 k( 245) = ( 0.3333333 0.5773503 0.2724861), wk = 0.0038168 k( 246) = ( 0.3333333 0.5773503 0.2919494), wk = 0.0038168 k( 247) = ( 0.3333333 0.5773503 0.3114127), wk = 0.0038168 k( 248) = ( 0.3333333 0.5773503 0.3308760), wk = 0.0038168 k( 249) = ( 0.3333333 0.5773503 0.3503393), wk = 0.0038168 k( 250) = ( 0.3333333 0.5773503 0.3698026), wk = 0.0038168 k( 251) = ( 0.3333333 0.5773503 0.3892659), wk = 0.0038168 k( 252) = ( 0.3333333 0.5773503 0.4087292), wk = 0.0038168 k( 253) = ( 0.3333333 0.5773503 0.4281925), wk = 0.0038168 k( 254) = ( 0.3333333 0.5773503 0.4476558), wk = 0.0038168 k( 255) = ( 0.3333333 0.5773503 0.4671191), wk = 0.0038168 k( 256) = ( 0.3333333 0.5773503 0.4865824), wk = 0.0038168 k( 257) = ( 0.3333333 0.5773503 0.5060457), wk = 0.0038168 k( 258) = ( 0.3333333 0.5773503 0.5255090), wk = 0.0038168 k( 259) = ( 0.3333333 0.5773503 0.5449723), wk = 0.0038168 k( 260) = ( 0.3333333 0.5773503 0.5644356), wk = 0.0038168 k( 261) = ( 0.3333333 0.5773503 0.5838989), wk = 0.0038168 k( 262) = ( 0.3333333 0.5773503 0.6033622), wk = 0.0038168 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 2) = ( 0.0172414 0.0000000 -0.0000000), wk = 0.0038168 k( 3) = ( 0.0344828 0.0000000 -0.0000000), wk = 0.0038168 k( 4) = ( 0.0517241 0.0000000 -0.0000000), wk = 0.0038168 k( 5) = ( 0.0689655 0.0000000 -0.0000000), wk = 0.0038168 k( 6) = ( 0.0862069 0.0000000 0.0000000), wk = 0.0038168 k( 7) = ( 0.1034483 0.0000000 -0.0000000), wk = 0.0038168 k( 8) = ( 0.1206897 0.0000000 -0.0000000), wk = 0.0038168 k( 9) = ( 0.1379310 0.0000000 -0.0000000), wk = 0.0038168 k( 10) = ( 0.1551724 0.0000000 -0.0000000), wk = 0.0038168 k( 11) = ( 0.1724138 0.0000000 -0.0000000), wk = 0.0038168 k( 12) = ( 0.1896552 0.0000000 -0.0000000), wk = 0.0038168 k( 13) = ( 0.2068966 0.0000000 -0.0000000), wk = 0.0038168 k( 14) = ( 0.2241379 0.0000000 -0.0000000), wk = 0.0038168 k( 15) = ( 0.2413793 0.0000000 -0.0000000), wk = 0.0038168 k( 16) = ( 0.2586207 0.0000000 -0.0000000), wk = 0.0038168 k( 17) = ( 0.2758621 0.0000000 -0.0000000), wk = 0.0038168 k( 18) = ( 0.2931034 0.0000000 0.0000000), wk = 0.0038168 k( 19) = ( 0.3103448 0.0000000 -0.0000000), wk = 0.0038168 k( 20) = ( 0.3275862 0.0000000 -0.0000000), wk = 0.0038168 k( 21) = ( 0.3448276 0.0000000 -0.0000000), wk = 0.0038168 k( 22) = ( 0.3620690 0.0000000 -0.0000000), wk = 0.0038168 k( 23) = ( 0.3793103 0.0000000 -0.0000000), wk = 0.0038168 k( 24) = ( 0.3965517 0.0000000 -0.0000000), wk = 0.0038168 k( 25) = ( 0.4137931 0.0000000 -0.0000000), wk = 0.0038168 k( 26) = ( 0.4310345 0.0000000 -0.0000000), wk = 0.0038168 k( 27) = ( 0.4482759 0.0000000 -0.0000000), wk = 0.0038168 k( 28) = ( 0.4655172 0.0000000 -0.0000000), wk = 0.0038168 k( 29) = ( 0.4827586 0.0000000 -0.0000000), wk = 0.0038168 k( 30) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0038168 k( 31) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0038168 k( 32) = ( 0.4901961 0.0196078 -0.0000000), wk = 0.0038168 k( 33) = ( 0.4803922 0.0392157 -0.0000000), wk = 0.0038168 k( 34) = ( 0.4705882 0.0588235 -0.0000000), wk = 0.0038168 k( 35) = ( 0.4607843 0.0784314 -0.0000000), wk = 0.0038168 k( 36) = ( 0.4509804 0.0980392 -0.0000000), wk = 0.0038168 k( 37) = ( 0.4411765 0.1176471 0.0000000), wk = 0.0038168 k( 38) = ( 0.4313726 0.1372549 0.0000000), wk = 0.0038168 k( 39) = ( 0.4215686 0.1568628 -0.0000000), wk = 0.0038168 k( 40) = ( 0.4117647 0.1764706 -0.0000000), wk = 0.0038168 k( 41) = ( 0.4019608 0.1960784 -0.0000000), wk = 0.0038168 k( 42) = ( 0.3921569 0.2156863 -0.0000000), wk = 0.0038168 k( 43) = ( 0.3823529 0.2352941 0.0000000), wk = 0.0038168 k( 44) = ( 0.3725490 0.2549020 -0.0000000), wk = 0.0038168 k( 45) = ( 0.3627451 0.2745098 0.0000000), wk = 0.0038168 k( 46) = ( 0.3529412 0.2941177 -0.0000000), wk = 0.0038168 k( 47) = ( 0.3431373 0.3137255 -0.0000000), wk = 0.0038168 k( 48) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0038168 k( 49) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0038168 k( 50) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0038168 k( 51) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0038168 k( 52) = ( 0.3039216 0.3039216 0.0000000), wk = 0.0038168 k( 53) = ( 0.2941177 0.2941177 -0.0000000), wk = 0.0038168 k( 54) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0038168 k( 55) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0038168 k( 56) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0038168 k( 57) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0038168 k( 58) = ( 0.2450980 0.2450980 -0.0000000), wk = 0.0038168 k( 59) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0038168 k( 60) = ( 0.2254902 0.2254902 0.0000000), wk = 0.0038168 k( 61) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0038168 k( 62) = ( 0.2058823 0.2058824 -0.0000000), wk = 0.0038168 k( 63) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0038168 k( 64) = ( 0.1862745 0.1862745 -0.0000000), wk = 0.0038168 k( 65) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0038168 k( 66) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0038168 k( 67) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0038168 k( 68) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0038168 k( 69) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0038168 k( 70) = ( 0.1274510 0.1274510 -0.0000000), wk = 0.0038168 k( 71) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0038168 k( 72) = ( 0.1078431 0.1078431 -0.0000000), wk = 0.0038168 k( 73) = ( 0.0980392 0.0980392 0.0000000), wk = 0.0038168 k( 74) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0038168 k( 75) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0038168 k( 76) = ( 0.0686275 0.0686275 -0.0000000), wk = 0.0038168 k( 77) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0038168 k( 78) = ( 0.0490196 0.0490196 0.0000000), wk = 0.0038168 k( 79) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0038168 k( 80) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0038168 k( 81) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0038168 k( 82) = ( 0.0098039 0.0098039 -0.0000000), wk = 0.0038168 k( 83) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 84) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 85) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0038168 k( 86) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0038168 k( 87) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0038168 k( 88) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0038168 k( 89) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0038168 k( 90) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0038168 k( 91) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0038168 k( 92) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0038168 k( 93) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0038168 k( 94) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0038168 k( 95) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0038168 k( 96) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0038168 k( 97) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0038168 k( 98) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0038168 k( 99) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0038168 k( 100) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0038168 k( 101) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0038168 k( 102) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0038168 k( 103) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0038168 k( 104) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0038168 k( 105) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0038168 k( 106) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0038168 k( 107) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0038168 k( 108) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0038168 k( 109) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0038168 k( 110) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0038168 k( 111) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0038168 k( 112) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0038168 k( 113) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0038168 k( 114) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0038168 k( 115) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038168 k( 116) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038168 k( 117) = ( 0.0172414 0.0000000 0.5000000), wk = 0.0038168 k( 118) = ( 0.0344828 0.0000000 0.5000000), wk = 0.0038168 k( 119) = ( 0.0517241 0.0000000 0.5000000), wk = 0.0038168 k( 120) = ( 0.0689655 0.0000000 0.5000000), wk = 0.0038168 k( 121) = ( 0.0862069 0.0000000 0.5000000), wk = 0.0038168 k( 122) = ( 0.1034483 0.0000000 0.5000000), wk = 0.0038168 k( 123) = ( 0.1206897 0.0000000 0.5000000), wk = 0.0038168 k( 124) = ( 0.1379310 0.0000000 0.5000000), wk = 0.0038168 k( 125) = ( 0.1551724 0.0000000 0.5000000), wk = 0.0038168 k( 126) = ( 0.1724138 0.0000000 0.5000000), wk = 0.0038168 k( 127) = ( 0.1896552 0.0000000 0.5000000), wk = 0.0038168 k( 128) = ( 0.2068966 0.0000000 0.5000000), wk = 0.0038168 k( 129) = ( 0.2241379 0.0000000 0.5000000), wk = 0.0038168 k( 130) = ( 0.2413793 0.0000000 0.5000000), wk = 0.0038168 k( 131) = ( 0.2586207 0.0000000 0.5000000), wk = 0.0038168 k( 132) = ( 0.2758621 0.0000000 0.5000000), wk = 0.0038168 k( 133) = ( 0.2931034 0.0000000 0.5000000), wk = 0.0038168 k( 134) = ( 0.3103448 0.0000000 0.5000000), wk = 0.0038168 k( 135) = ( 0.3275862 0.0000000 0.5000000), wk = 0.0038168 k( 136) = ( 0.3448276 0.0000000 0.5000000), wk = 0.0038168 k( 137) = ( 0.3620690 0.0000000 0.5000000), wk = 0.0038168 k( 138) = ( 0.3793103 0.0000000 0.5000000), wk = 0.0038168 k( 139) = ( 0.3965517 0.0000000 0.5000000), wk = 0.0038168 k( 140) = ( 0.4137931 0.0000000 0.5000000), wk = 0.0038168 k( 141) = ( 0.4310345 0.0000000 0.5000000), wk = 0.0038168 k( 142) = ( 0.4482759 0.0000000 0.5000000), wk = 0.0038168 k( 143) = ( 0.4655172 0.0000000 0.5000000), wk = 0.0038168 k( 144) = ( 0.4827586 0.0000000 0.5000000), wk = 0.0038168 k( 145) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038168 k( 146) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038168 k( 147) = ( 0.4901961 0.0196078 0.5000000), wk = 0.0038168 k( 148) = ( 0.4803922 0.0392157 0.5000000), wk = 0.0038168 k( 149) = ( 0.4705882 0.0588235 0.5000000), wk = 0.0038168 k( 150) = ( 0.4607843 0.0784314 0.5000000), wk = 0.0038168 k( 151) = ( 0.4509804 0.0980392 0.5000000), wk = 0.0038168 k( 152) = ( 0.4411765 0.1176471 0.5000000), wk = 0.0038168 k( 153) = ( 0.4313726 0.1372549 0.5000000), wk = 0.0038168 k( 154) = ( 0.4215686 0.1568628 0.5000000), wk = 0.0038168 k( 155) = ( 0.4117647 0.1764706 0.5000000), wk = 0.0038168 k( 156) = ( 0.4019608 0.1960784 0.5000000), wk = 0.0038168 k( 157) = ( 0.3921569 0.2156863 0.5000000), wk = 0.0038168 k( 158) = ( 0.3823529 0.2352941 0.5000000), wk = 0.0038168 k( 159) = ( 0.3725490 0.2549020 0.5000000), wk = 0.0038168 k( 160) = ( 0.3627451 0.2745098 0.5000000), wk = 0.0038168 k( 161) = ( 0.3529412 0.2941177 0.5000000), wk = 0.0038168 k( 162) = ( 0.3431373 0.3137255 0.5000000), wk = 0.0038168 k( 163) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0038168 k( 164) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0038168 k( 165) = ( 0.3235294 0.3235294 0.5000000), wk = 0.0038168 k( 166) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0038168 k( 167) = ( 0.3039216 0.3039216 0.5000000), wk = 0.0038168 k( 168) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0038168 k( 169) = ( 0.2843137 0.2843137 0.5000000), wk = 0.0038168 k( 170) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0038168 k( 171) = ( 0.2647059 0.2647059 0.5000000), wk = 0.0038168 k( 172) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0038168 k( 173) = ( 0.2450980 0.2450980 0.5000000), wk = 0.0038168 k( 174) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0038168 k( 175) = ( 0.2254902 0.2254902 0.5000000), wk = 0.0038168 k( 176) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0038168 k( 177) = ( 0.2058823 0.2058824 0.5000000), wk = 0.0038168 k( 178) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0038168 k( 179) = ( 0.1862745 0.1862745 0.5000000), wk = 0.0038168 k( 180) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0038168 k( 181) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0038168 k( 182) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0038168 k( 183) = ( 0.1470588 0.1470588 0.5000000), wk = 0.0038168 k( 184) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0038168 k( 185) = ( 0.1274510 0.1274510 0.5000000), wk = 0.0038168 k( 186) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0038168 k( 187) = ( 0.1078431 0.1078431 0.5000000), wk = 0.0038168 k( 188) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0038168 k( 189) = ( 0.0882353 0.0882353 0.5000000), wk = 0.0038168 k( 190) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0038168 k( 191) = ( 0.0686275 0.0686275 0.5000000), wk = 0.0038168 k( 192) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0038168 k( 193) = ( 0.0490196 0.0490196 0.5000000), wk = 0.0038168 k( 194) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0038168 k( 195) = ( 0.0294118 0.0294118 0.5000000), wk = 0.0038168 k( 196) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0038168 k( 197) = ( 0.0098039 0.0098039 0.5000000), wk = 0.0038168 k( 198) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038168 k( 199) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038168 k( 200) = ( 0.5000000 0.0000000 0.4838710), wk = 0.0038168 k( 201) = ( 0.5000000 0.0000000 0.4677419), wk = 0.0038168 k( 202) = ( 0.5000000 0.0000000 0.4516129), wk = 0.0038168 k( 203) = ( 0.5000000 0.0000000 0.4354839), wk = 0.0038168 k( 204) = ( 0.5000000 0.0000000 0.4193548), wk = 0.0038168 k( 205) = ( 0.5000000 0.0000000 0.4032258), wk = 0.0038168 k( 206) = ( 0.5000000 0.0000000 0.3870968), wk = 0.0038168 k( 207) = ( 0.5000000 0.0000000 0.3709677), wk = 0.0038168 k( 208) = ( 0.5000000 0.0000000 0.3548387), wk = 0.0038168 k( 209) = ( 0.5000000 0.0000000 0.3387097), wk = 0.0038168 k( 210) = ( 0.5000000 0.0000000 0.3225807), wk = 0.0038168 k( 211) = ( 0.5000000 0.0000000 0.3064516), wk = 0.0038168 k( 212) = ( 0.5000000 0.0000000 0.2903226), wk = 0.0038168 k( 213) = ( 0.5000000 0.0000000 0.2741936), wk = 0.0038168 k( 214) = ( 0.5000000 0.0000000 0.2580645), wk = 0.0038168 k( 215) = ( 0.5000000 0.0000000 0.2419355), wk = 0.0038168 k( 216) = ( 0.5000000 0.0000000 0.2258064), wk = 0.0038168 k( 217) = ( 0.5000000 0.0000000 0.2096774), wk = 0.0038168 k( 218) = ( 0.5000000 0.0000000 0.1935484), wk = 0.0038168 k( 219) = ( 0.5000000 0.0000000 0.1774194), wk = 0.0038168 k( 220) = ( 0.5000000 0.0000000 0.1612903), wk = 0.0038168 k( 221) = ( 0.5000000 0.0000000 0.1451613), wk = 0.0038168 k( 222) = ( 0.5000000 0.0000000 0.1290323), wk = 0.0038168 k( 223) = ( 0.5000000 0.0000000 0.1129032), wk = 0.0038168 k( 224) = ( 0.5000000 0.0000000 0.0967742), wk = 0.0038168 k( 225) = ( 0.5000000 0.0000000 0.0806452), wk = 0.0038168 k( 226) = ( 0.5000000 0.0000000 0.0645161), wk = 0.0038168 k( 227) = ( 0.5000000 0.0000000 0.0483871), wk = 0.0038168 k( 228) = ( 0.5000000 0.0000000 0.0322581), wk = 0.0038168 k( 229) = ( 0.5000000 0.0000000 0.0161290), wk = 0.0038168 k( 230) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0038168 k( 231) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0038168 k( 232) = ( 0.3333333 0.3333333 0.0161290), wk = 0.0038168 k( 233) = ( 0.3333333 0.3333333 0.0322581), wk = 0.0038168 k( 234) = ( 0.3333333 0.3333333 0.0483871), wk = 0.0038168 k( 235) = ( 0.3333333 0.3333333 0.0645161), wk = 0.0038168 k( 236) = ( 0.3333333 0.3333333 0.0806452), wk = 0.0038168 k( 237) = ( 0.3333333 0.3333333 0.0967742), wk = 0.0038168 k( 238) = ( 0.3333333 0.3333333 0.1129032), wk = 0.0038168 k( 239) = ( 0.3333333 0.3333333 0.1290323), wk = 0.0038168 k( 240) = ( 0.3333333 0.3333333 0.1451613), wk = 0.0038168 k( 241) = ( 0.3333333 0.3333333 0.1612903), wk = 0.0038168 k( 242) = ( 0.3333333 0.3333333 0.1774194), wk = 0.0038168 k( 243) = ( 0.3333333 0.3333333 0.1935484), wk = 0.0038168 k( 244) = ( 0.3333333 0.3333333 0.2096774), wk = 0.0038168 k( 245) = ( 0.3333333 0.3333333 0.2258065), wk = 0.0038168 k( 246) = ( 0.3333333 0.3333333 0.2419355), wk = 0.0038168 k( 247) = ( 0.3333333 0.3333333 0.2580645), wk = 0.0038168 k( 248) = ( 0.3333333 0.3333333 0.2741936), wk = 0.0038168 k( 249) = ( 0.3333333 0.3333333 0.2903226), wk = 0.0038168 k( 250) = ( 0.3333333 0.3333333 0.3064516), wk = 0.0038168 k( 251) = ( 0.3333333 0.3333333 0.3225807), wk = 0.0038168 k( 252) = ( 0.3333333 0.3333333 0.3387097), wk = 0.0038168 k( 253) = ( 0.3333333 0.3333333 0.3548387), wk = 0.0038168 k( 254) = ( 0.3333333 0.3333333 0.3709677), wk = 0.0038168 k( 255) = ( 0.3333333 0.3333333 0.3870968), wk = 0.0038168 k( 256) = ( 0.3333333 0.3333333 0.4032258), wk = 0.0038168 k( 257) = ( 0.3333333 0.3333333 0.4193548), wk = 0.0038168 k( 258) = ( 0.3333333 0.3333333 0.4354839), wk = 0.0038168 k( 259) = ( 0.3333333 0.3333333 0.4516129), wk = 0.0038168 k( 260) = ( 0.3333333 0.3333333 0.4677419), wk = 0.0038168 k( 261) = ( 0.3333333 0.3333333 0.4838710), wk = 0.0038168 k( 262) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0038168 Dense grid: 176957 G-vectors FFT dimensions: ( 80, 80, 72) Smooth grid: 115851 G-vectors FFT dimensions: ( 72, 72, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.79 Mb ( 812, 64) NL pseudopotentials 1.19 Mb ( 406, 192) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.04 Mb ( 4916) G-vector shells 0.02 Mb ( 2270) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.17 Mb ( 812, 256) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.38 Mb ( 192, 2, 64) The potential is recalculated from file : ./CsAu3Se2.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 5.9 secs Computing kpt #: 3 total cpu time spent up to now is 7.7 secs Computing kpt #: 4 total cpu time spent up to now is 9.5 secs Computing kpt #: 5 total cpu time spent up to now is 11.4 secs Computing kpt #: 6 total cpu time spent up to now is 13.2 secs Computing kpt #: 7 total cpu time spent up to now is 15.1 secs Computing kpt #: 8 total cpu time spent up to now is 17.0 secs Computing kpt #: 9 total cpu time spent up to now is 18.9 secs Computing kpt #: 10 total cpu time spent up to now is 20.8 secs Computing kpt #: 11 total cpu time spent up to now is 22.7 secs Computing kpt #: 12 total cpu time spent up to now is 24.6 secs Computing kpt #: 13 total cpu time spent up to now is 26.6 secs Computing kpt #: 14 total cpu time spent up to now is 28.5 secs Computing kpt #: 15 total cpu time spent up to now is 30.4 secs Computing kpt #: 16 total cpu time spent up to now is 32.3 secs Computing kpt #: 17 total cpu time spent up to now is 34.2 secs Computing kpt #: 18 total cpu time spent up to now is 36.1 secs Computing kpt #: 19 total cpu time spent up to now is 38.1 secs Computing kpt #: 20 total cpu time spent up to now is 40.0 secs Computing kpt #: 21 total cpu time spent up to now is 41.9 secs Computing kpt #: 22 total cpu time spent up to now is 43.8 secs Computing kpt #: 23 total cpu time spent up to now is 45.7 secs Computing kpt #: 24 total cpu time spent up to now is 47.6 secs Computing kpt #: 25 total cpu time spent up to now is 49.5 secs Computing kpt #: 26 total cpu time spent up to now is 51.4 secs Computing kpt #: 27 total cpu time spent up to now is 53.2 secs Computing kpt #: 28 total cpu time spent up to now is 55.1 secs Computing kpt #: 29 total cpu time spent up to now is 56.9 secs Computing kpt #: 30 total cpu time spent up to now is 58.8 secs Computing kpt #: 31 total cpu time spent up to now is 60.6 secs Computing kpt #: 32 total cpu time spent up to now is 62.5 secs Computing kpt #: 33 total cpu time spent up to now is 64.3 secs Computing kpt #: 34 total cpu time spent up to now is 66.2 secs Computing kpt #: 35 total cpu time spent up to now is 68.1 secs Computing kpt #: 36 total cpu time spent up to now is 70.0 secs Computing kpt #: 37 total cpu time spent up to now is 71.9 secs Computing kpt #: 38 total cpu time spent up to now is 73.9 secs Computing kpt #: 39 total cpu time spent up to now is 75.8 secs Computing kpt #: 40 total cpu time spent up to now is 77.8 secs Computing kpt #: 41 total cpu time spent up to now is 79.7 secs Computing kpt #: 42 total cpu time spent up to now is 81.7 secs Computing kpt #: 43 total cpu time spent up to now is 83.6 secs Computing kpt #: 44 total cpu time spent up to now is 85.6 secs Computing kpt #: 45 total cpu time spent up to now is 87.6 secs Computing kpt #: 46 total cpu time spent up to now is 89.9 secs Computing kpt #: 47 total cpu time spent up to now is 91.9 secs Computing kpt #: 48 total cpu time spent up to now is 93.8 secs Computing kpt #: 49 total cpu time spent up to now is 95.7 secs Computing kpt #: 50 total cpu time spent up to now is 97.7 secs Computing kpt #: 51 total cpu time spent up to now is 99.6 secs Computing kpt #: 52 total cpu time spent up to now is 101.6 secs Computing kpt #: 53 total cpu time spent up to now is 103.5 secs Computing kpt #: 54 total cpu time spent up to now is 105.4 secs Computing kpt #: 55 total cpu time spent up to now is 107.3 secs Computing kpt #: 56 total cpu time spent up to now is 109.2 secs Computing kpt #: 57 total cpu time spent up to now is 111.1 secs Computing kpt #: 58 total cpu time spent up to now is 112.9 secs Computing kpt #: 59 total cpu time spent up to now is 114.8 secs Computing kpt #: 60 total cpu time spent up to now is 116.5 secs Computing kpt #: 61 total cpu time spent up to now is 118.2 secs Computing kpt #: 62 total cpu time spent up to now is 120.1 secs Computing kpt #: 63 total cpu time spent up to now is 121.9 secs Computing kpt #: 64 total cpu time spent up to now is 123.8 secs Computing kpt #: 65 total cpu time spent up to now is 125.7 secs Computing kpt #: 66 total cpu time spent up to now is 127.6 secs Computing kpt #: 67 total cpu time spent up to now is 129.4 secs Computing kpt #: 68 total cpu time spent up to now is 131.3 secs Computing kpt #: 69 total cpu time spent up to now is 133.2 secs Computing kpt #: 70 total cpu time spent up to now is 135.0 secs Computing kpt #: 71 total cpu time spent up to now is 136.9 secs Computing kpt #: 72 total cpu time spent up to now is 138.8 secs Computing kpt #: 73 total cpu time spent up to now is 140.6 secs Computing kpt #: 74 total cpu time spent up to now is 142.5 secs Computing kpt #: 75 total cpu time spent up to now is 144.4 secs Computing kpt #: 76 total cpu time spent up to now is 146.2 secs Computing kpt #: 77 total cpu time spent up to now is 148.0 secs Computing kpt #: 78 total cpu time spent up to now is 149.9 secs Computing kpt #: 79 total cpu time spent up to now is 151.7 secs Computing kpt #: 80 total cpu time spent up to now is 153.6 secs Computing kpt #: 81 total cpu time spent up to now is 155.4 secs Computing kpt #: 82 total cpu time spent up to now is 157.3 secs Computing kpt #: 83 total cpu time spent up to now is 159.1 secs Computing kpt #: 84 total cpu time spent up to now is 160.9 secs Computing kpt #: 85 total cpu time spent up to now is 163.1 secs Computing kpt #: 86 total cpu time spent up to now is 165.0 secs Computing kpt #: 87 total cpu time spent up to now is 167.0 secs Computing kpt #: 88 total cpu time spent up to now is 168.9 secs Computing kpt #: 89 total cpu time spent up to now is 170.8 secs Computing kpt #: 90 total cpu time spent up to now is 172.8 secs Computing kpt #: 91 total cpu time spent up to now is 174.8 secs Computing kpt #: 92 total cpu time spent up to now is 176.8 secs Computing kpt #: 93 total cpu time spent up to now is 178.7 secs Computing kpt #: 94 total cpu time spent up to now is 180.7 secs Computing kpt #: 95 total cpu time spent up to now is 182.7 secs Computing kpt #: 96 total cpu time spent up to now is 184.7 secs Computing kpt #: 97 total cpu time spent up to now is 186.6 secs Computing kpt #: 98 total cpu time spent up to now is 188.5 secs Computing kpt #: 99 total cpu time spent up to now is 190.4 secs Computing kpt #: 100 total cpu time spent up to now is 192.3 secs Computing kpt #: 101 total cpu time spent up to now is 194.1 secs Computing kpt #: 102 total cpu time spent up to now is 196.0 secs Computing kpt #: 103 total cpu time spent up to now is 197.8 secs Computing kpt #: 104 total cpu time spent up to now is 199.5 secs Computing kpt #: 105 total cpu time spent up to now is 201.1 secs Computing kpt #: 106 total cpu time spent up to now is 202.8 secs Computing kpt #: 107 total cpu time spent up to now is 204.4 secs Computing kpt #: 108 total cpu time spent up to now is 206.0 secs Computing kpt #: 109 total cpu time spent up to now is 207.6 secs Computing kpt #: 110 total cpu time spent up to now is 209.2 secs Computing kpt #: 111 total cpu time spent up to now is 210.8 secs Computing kpt #: 112 total cpu time spent up to now is 212.4 secs Computing kpt #: 113 total cpu time spent up to now is 213.9 secs Computing kpt #: 114 total cpu time spent up to now is 215.5 secs Computing kpt #: 115 total cpu time spent up to now is 217.1 secs Computing kpt #: 116 total cpu time spent up to now is 218.6 secs Computing kpt #: 117 total cpu time spent up to now is 220.2 secs Computing kpt #: 118 total cpu time spent up to now is 221.8 secs Computing kpt #: 119 total cpu time spent up to now is 223.4 secs Computing kpt #: 120 total cpu time spent up to now is 225.0 secs Computing kpt #: 121 total cpu time spent up to now is 226.7 secs Computing kpt #: 122 total cpu time spent up to now is 228.4 secs Computing kpt #: 123 total cpu time spent up to now is 230.0 secs Computing kpt #: 124 total cpu time spent up to now is 231.9 secs Computing kpt #: 125 total cpu time spent up to now is 233.8 secs Computing kpt #: 126 total cpu time spent up to now is 235.7 secs Computing kpt #: 127 total cpu time spent up to now is 237.6 secs Computing kpt #: 128 total cpu time spent up to now is 239.5 secs Computing kpt #: 129 total cpu time spent up to now is 241.5 secs Computing kpt #: 130 total cpu time spent up to now is 243.4 secs Computing kpt #: 131 total cpu time spent up to now is 245.3 secs Computing kpt #: 132 total cpu time spent up to now is 247.2 secs Computing kpt #: 133 total cpu time spent up to now is 249.1 secs Computing kpt #: 134 total cpu time spent up to now is 251.0 secs Computing kpt #: 135 total cpu time spent up to now is 252.9 secs Computing kpt #: 136 total cpu time spent up to now is 254.8 secs Computing kpt #: 137 total cpu time spent up to now is 256.7 secs Computing kpt #: 138 total cpu time spent up to now is 258.6 secs Computing kpt #: 139 total cpu time spent up to now is 260.5 secs Computing kpt #: 140 total cpu time spent up to now is 262.4 secs Computing kpt #: 141 total cpu time spent up to now is 264.3 secs Computing kpt #: 142 total cpu time spent up to now is 266.2 secs Computing kpt #: 143 total cpu time spent up to now is 268.5 secs Computing kpt #: 144 total cpu time spent up to now is 270.7 secs Computing kpt #: 145 total cpu time spent up to now is 273.0 secs Computing kpt #: 146 total cpu time spent up to now is 275.3 secs Computing kpt #: 147 total cpu time spent up to now is 277.6 secs Computing kpt #: 148 total cpu time spent up to now is 279.8 secs Computing kpt #: 149 total cpu time spent up to now is 282.1 secs Computing kpt #: 150 total cpu time spent up to now is 284.1 secs Computing kpt #: 151 total cpu time spent up to now is 286.4 secs Computing kpt #: 152 total cpu time spent up to now is 288.4 secs Computing kpt #: 153 total cpu time spent up to now is 290.7 secs Computing kpt #: 154 total cpu time spent up to now is 292.6 secs Computing kpt #: 155 total cpu time spent up to now is 294.6 secs Computing kpt #: 156 total cpu time spent up to now is 296.5 secs Computing kpt #: 157 total cpu time spent up to now is 298.4 secs Computing kpt #: 158 total cpu time spent up to now is 300.3 secs Computing kpt #: 159 total cpu time spent up to now is 302.3 secs Computing kpt #: 160 total cpu time spent up to now is 304.2 secs Computing kpt #: 161 total cpu time spent up to now is 306.2 secs Computing kpt #: 162 total cpu time spent up to now is 308.2 secs Computing kpt #: 163 total cpu time spent up to now is 310.2 secs Computing kpt #: 164 total cpu time spent up to now is 312.2 secs Computing kpt #: 165 total cpu time spent up to now is 314.2 secs Computing kpt #: 166 total cpu time spent up to now is 316.2 secs Computing kpt #: 167 total cpu time spent up to now is 318.1 secs Computing kpt #: 168 total cpu time spent up to now is 320.0 secs Computing kpt #: 169 total cpu time spent up to now is 321.8 secs Computing kpt #: 170 total cpu time spent up to now is 323.6 secs Computing kpt #: 171 total cpu time spent up to now is 325.4 secs Computing kpt #: 172 total cpu time spent up to now is 327.3 secs Computing kpt #: 173 total cpu time spent up to now is 329.1 secs Computing kpt #: 174 total cpu time spent up to now is 330.9 secs Computing kpt #: 175 total cpu time spent up to now is 332.8 secs Computing kpt #: 176 total cpu time spent up to now is 334.7 secs Computing kpt #: 177 total cpu time spent up to now is 336.5 secs Computing kpt #: 178 total cpu time spent up to now is 338.4 secs Computing kpt #: 179 total cpu time spent up to now is 340.3 secs Computing kpt #: 180 total cpu time spent up to now is 342.1 secs Computing kpt #: 181 total cpu time spent up to now is 344.0 secs Computing kpt #: 182 total cpu time spent up to now is 345.9 secs Computing kpt #: 183 total cpu time spent up to now is 347.8 secs Computing kpt #: 184 total cpu time spent up to now is 349.7 secs Computing kpt #: 185 total cpu time spent up to now is 351.7 secs Computing kpt #: 186 total cpu time spent up to now is 353.6 secs Computing kpt #: 187 total cpu time spent up to now is 355.5 secs Computing kpt #: 188 total cpu time spent up to now is 357.4 secs Computing kpt #: 189 total cpu time spent up to now is 359.2 secs Computing kpt #: 190 total cpu time spent up to now is 361.1 secs Computing kpt #: 191 total cpu time spent up to now is 362.9 secs Computing kpt #: 192 total cpu time spent up to now is 364.6 secs Computing kpt #: 193 total cpu time spent up to now is 366.3 secs Computing kpt #: 194 total cpu time spent up to now is 367.9 secs Computing kpt #: 195 total cpu time spent up to now is 369.5 secs Computing kpt #: 196 total cpu time spent up to now is 371.1 secs Computing kpt #: 197 total cpu time spent up to now is 372.7 secs Computing kpt #: 198 total cpu time spent up to now is 374.2 secs Computing kpt #: 199 total cpu time spent up to now is 376.5 secs Computing kpt #: 200 total cpu time spent up to now is 378.8 secs Computing kpt #: 201 total cpu time spent up to now is 380.7 secs Computing kpt #: 202 total cpu time spent up to now is 382.7 secs Computing kpt #: 203 total cpu time spent up to now is 384.7 secs Computing kpt #: 204 total cpu time spent up to now is 386.7 secs Computing kpt #: 205 total cpu time spent up to now is 388.7 secs Computing kpt #: 206 total cpu time spent up to now is 390.7 secs Computing kpt #: 207 total cpu time spent up to now is 392.6 secs Computing kpt #: 208 total cpu time spent up to now is 394.7 secs Computing kpt #: 209 total cpu time spent up to now is 396.9 secs Computing kpt #: 210 total cpu time spent up to now is 399.0 secs Computing kpt #: 211 total cpu time spent up to now is 401.0 secs Computing kpt #: 212 total cpu time spent up to now is 403.2 secs Computing kpt #: 213 total cpu time spent up to now is 405.3 secs Computing kpt #: 214 total cpu time spent up to now is 407.3 secs Computing kpt #: 215 total cpu time spent up to now is 409.3 secs Computing kpt #: 216 total cpu time spent up to now is 411.3 secs Computing kpt #: 217 total cpu time spent up to now is 413.2 secs Computing kpt #: 218 total cpu time spent up to now is 415.2 secs Computing kpt #: 219 total cpu time spent up to now is 417.1 secs Computing kpt #: 220 total cpu time spent up to now is 419.0 secs Computing kpt #: 221 total cpu time spent up to now is 420.9 secs Computing kpt #: 222 total cpu time spent up to now is 422.8 secs Computing kpt #: 223 total cpu time spent up to now is 424.7 secs Computing kpt #: 224 total cpu time spent up to now is 426.6 secs Computing kpt #: 225 total cpu time spent up to now is 428.5 secs Computing kpt #: 226 total cpu time spent up to now is 430.3 secs Computing kpt #: 227 total cpu time spent up to now is 432.2 secs Computing kpt #: 228 total cpu time spent up to now is 434.1 secs Computing kpt #: 229 total cpu time spent up to now is 435.9 secs Computing kpt #: 230 total cpu time spent up to now is 437.8 secs Computing kpt #: 231 total cpu time spent up to now is 439.7 secs Computing kpt #: 232 total cpu time spent up to now is 441.6 secs Computing kpt #: 233 total cpu time spent up to now is 443.5 secs Computing kpt #: 234 total cpu time spent up to now is 445.4 secs Computing kpt #: 235 total cpu time spent up to now is 447.3 secs Computing kpt #: 236 total cpu time spent up to now is 449.2 secs Computing kpt #: 237 total cpu time spent up to now is 451.1 secs Computing kpt #: 238 total cpu time spent up to now is 453.0 secs Computing kpt #: 239 total cpu time spent up to now is 454.8 secs Computing kpt #: 240 total cpu time spent up to now is 456.7 secs Computing kpt #: 241 total cpu time spent up to now is 458.4 secs Computing kpt #: 242 total cpu time spent up to now is 460.3 secs Computing kpt #: 243 total cpu time spent up to now is 462.3 secs Computing kpt #: 244 total cpu time spent up to now is 464.2 secs Computing kpt #: 245 total cpu time spent up to now is 466.2 secs Computing kpt #: 246 total cpu time spent up to now is 468.2 secs Computing kpt #: 247 total cpu time spent up to now is 470.2 secs Computing kpt #: 248 total cpu time spent up to now is 472.2 secs Computing kpt #: 249 total cpu time spent up to now is 474.1 secs Computing kpt #: 250 total cpu time spent up to now is 476.0 secs Computing kpt #: 251 total cpu time spent up to now is 478.0 secs Computing kpt #: 252 total cpu time spent up to now is 480.0 secs Computing kpt #: 253 total cpu time spent up to now is 481.9 secs Computing kpt #: 254 total cpu time spent up to now is 483.9 secs Computing kpt #: 255 total cpu time spent up to now is 485.9 secs Computing kpt #: 256 total cpu time spent up to now is 487.9 secs Computing kpt #: 257 total cpu time spent up to now is 489.8 secs Computing kpt #: 258 total cpu time spent up to now is 491.8 secs Computing kpt #: 259 total cpu time spent up to now is 493.8 secs Computing kpt #: 260 total cpu time spent up to now is 495.8 secs Computing kpt #: 261 total cpu time spent up to now is 497.8 secs Computing kpt #: 262 total cpu time spent up to now is 499.8 secs ethr = 1.85E-08, avg # of iterations = 26.0 total cpu time spent up to now is 499.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 14453 PWs) bands (ev): -13.2386 -13.2386 -6.9864 -6.9864 -5.9118 -5.9118 -2.0372 -2.0372 -0.6661 -0.6661 -0.5612 -0.5612 0.5826 0.5826 0.6081 0.6081 0.8743 0.8743 2.1854 2.1854 2.3417 2.3417 2.4547 2.4547 2.7095 2.7095 3.2873 3.2873 3.5931 3.5931 3.9097 3.9097 4.0566 4.0566 4.1590 4.1590 4.4058 4.4058 4.4536 4.4536 4.5664 4.5664 4.6466 4.6466 4.7000 4.7000 4.9275 4.9275 5.2745 5.2745 6.3084 6.3084 6.4505 6.4505 8.4977 8.4977 9.6946 9.6946 10.0196 10.0196 10.2704 10.2704 10.8135 10.8135 k = 0.0172 0.0100-0.0000 ( 14467 PWs) bands (ev): -13.2386 -13.2386 -6.9858 -6.9858 -5.9126 -5.9126 -2.0373 -2.0373 -0.6665 -0.6665 -0.5616 -0.5616 0.5841 0.5841 0.6096 0.6096 0.8760 0.8760 2.1859 2.1859 2.3419 2.3419 2.4548 2.4548 2.7098 2.7098 3.2868 3.2868 3.5921 3.5921 3.9069 3.9069 4.0517 4.0517 4.1566 4.1566 4.4003 4.4003 4.4591 4.4591 4.5684 4.5684 4.6401 4.6401 4.7036 4.7036 4.9361 4.9361 5.2745 5.2745 6.3058 6.3058 6.4474 6.4474 8.5014 8.5014 9.6966 9.6966 10.0174 10.0174 10.2663 10.2663 10.8167 10.8167 k = 0.0345 0.0199-0.0000 ( 14457 PWs) bands (ev): -13.2385 -13.2385 -6.9842 -6.9842 -5.9152 -5.9152 -2.0376 -2.0376 -0.6679 -0.6679 -0.5626 -0.5626 0.5885 0.5885 0.6140 0.6140 0.8813 0.8813 2.1873 2.1873 2.3423 2.3423 2.4551 2.4551 2.7109 2.7109 3.2853 3.2853 3.5892 3.5892 3.8976 3.8976 4.0387 4.0387 4.1500 4.1500 4.3845 4.3845 4.4744 4.4744 4.5690 4.5690 4.6274 4.6274 4.7143 4.7143 4.9591 4.9591 5.2744 5.2744 6.2980 6.2980 6.4386 6.4386 8.5123 8.5123 9.7022 9.7022 10.0102 10.0102 10.2555 10.2555 10.8253 10.8254 k = 0.0517 0.0299-0.0000 ( 14461 PWs) bands (ev): -13.2385 -13.2385 -6.9816 -6.9816 -5.9194 -5.9194 -2.0381 -2.0381 -0.6700 -0.6700 -0.5643 -0.5643 0.5954 0.5954 0.6215 0.6215 0.8900 0.8900 2.1895 2.1895 2.3429 2.3429 2.4557 2.4557 2.7126 2.7126 3.2826 3.2826 3.5842 3.5842 3.8802 3.8802 4.0222 4.0222 4.1406 4.1406 4.3619 4.3619 4.4931 4.4931 4.5578 4.5578 4.6240 4.6240 4.7316 4.7316 4.9908 4.9908 5.2747 5.2747 6.2844 6.2844 6.4252 6.4252 8.5299 8.5299 9.7113 9.7113 9.9962 9.9962 10.2419 10.2419 10.8381 10.8381 k = 0.0690 0.0398-0.0000 ( 14459 PWs) bands (ev): -13.2384 -13.2384 -6.9779 -6.9779 -5.9252 -5.9252 -2.0387 -2.0387 -0.6729 -0.6729 -0.5666 -0.5666 0.6044 0.6044 0.6324 0.6324 0.9022 0.9022 2.1924 2.1924 2.3438 2.3438 2.4565 2.4565 2.7150 2.7150 3.2788 3.2788 3.5770 3.5770 3.8532 3.8532 4.0072 4.0072 4.1285 4.1285 4.3362 4.3362 4.4966 4.4966 4.5480 4.5480 4.6332 4.6332 4.7548 4.7548 5.0265 5.0265 5.2756 5.2756 6.2642 6.2642 6.4090 6.4090 8.5536 8.5536 9.7232 9.7232 9.9739 9.9739 10.2304 10.2304 10.8535 10.8535 k = 0.0862 0.0498-0.0000 ( 14467 PWs) bands (ev): -13.2383 -13.2383 -6.9731 -6.9731 -5.9326 -5.9326 -2.0395 -2.0395 -0.6765 -0.6765 -0.5693 -0.5693 0.6152 0.6152 0.6465 0.6465 0.9178 0.9178 2.1958 2.1958 2.3449 2.3449 2.4575 2.4575 2.7180 2.7180 3.2735 3.2735 3.5672 3.5672 3.8177 3.8177 3.9959 3.9959 4.1136 4.1136 4.3098 4.3098 4.4714 4.4714 4.5574 4.5574 4.6502 4.6502 4.7824 4.7824 5.0629 5.0629 5.2780 5.2780 6.2369 6.2369 6.3915 6.3915 8.5824 8.5824 9.7365 9.7365 9.9432 9.9432 10.2243 10.2243 10.8707 10.8707 k = 0.1034 0.0597-0.0000 ( 14469 PWs) bands (ev): -13.2381 -13.2381 -6.9674 -6.9674 -5.9417 -5.9417 -2.0404 -2.0404 -0.6806 -0.6806 -0.5724 -0.5724 0.6275 0.6275 0.6638 0.6638 0.9368 0.9368 2.1996 2.1996 2.3461 2.3461 2.4587 2.4587 2.7217 2.7217 3.2667 3.2667 3.5544 3.5544 3.7768 3.7768 3.9879 3.9879 4.0954 4.0954 4.2844 4.2844 4.4372 4.4372 4.5682 4.5682 4.6727 4.6727 4.8126 4.8126 5.0979 5.0979 5.2829 5.2829 6.2029 6.2029 6.3741 6.3741 8.6151 8.6151 9.7487 9.7487 9.9076 9.9076 10.2249 10.2249 10.8894 10.8894 k = 0.1207 0.0697-0.0000 ( 14467 PWs) bands (ev): -13.2380 -13.2380 -6.9606 -6.9606 -5.9522 -5.9522 -2.0413 -2.0413 -0.6850 -0.6850 -0.5758 -0.5758 0.6413 0.6413 0.6840 0.6840 0.9590 0.9590 2.2033 2.2033 2.3475 2.3475 2.4601 2.4601 2.7258 2.7258 3.2579 3.2579 3.5379 3.5379 3.7342 3.7342 3.9815 3.9815 4.0743 4.0743 4.2612 4.2612 4.4026 4.4026 4.5749 4.5749 4.6980 4.6980 4.8440 4.8440 5.1294 5.1294 5.2915 5.2915 6.1632 6.1632 6.3573 6.3573 8.6504 8.6504 9.7533 9.7533 9.8757 9.8757 10.2313 10.2313 10.9095 10.9095 k = 0.1379 0.0796-0.0000 ( 14479 PWs) bands (ev): -13.2378 -13.2378 -6.9528 -6.9528 -5.9643 -5.9643 -2.0424 -2.0424 -0.6897 -0.6897 -0.5794 -0.5794 0.6565 0.6565 0.7067 0.7067 0.9844 0.9844 2.2067 2.2067 2.3489 2.3489 2.4616 2.4616 2.7305 2.7305 3.2468 3.2468 3.5166 3.5166 3.6934 3.6934 3.9746 3.9746 4.0515 4.0515 4.2407 4.2407 4.3695 4.3695 4.5782 4.5782 4.7228 4.7228 4.8754 4.8754 5.1563 5.1563 5.3050 5.3050 6.1194 6.1194 6.3412 6.3412 8.6871 8.6871 9.7386 9.7386 9.8616 9.8616 10.2422 10.2422 10.9309 10.9309 k = 0.1552 0.0896-0.0000 ( 14465 PWs) bands (ev): -13.2376 -13.2376 -6.9440 -6.9440 -5.9777 -5.9777 -2.0434 -2.0434 -0.6946 -0.6946 -0.5831 -0.5831 0.6729 0.6729 0.7315 0.7315 1.0126 1.0126 2.2093 2.2093 2.3503 2.3503 2.4633 2.4633 2.7356 2.7356 3.2327 3.2327 3.4899 3.4899 3.6575 3.6575 3.9639 3.9639 4.0306 4.0306 4.2229 4.2229 4.3389 4.3389 4.5793 4.5793 4.7447 4.7447 4.9058 4.9058 5.1783 5.1783 5.3237 5.3237 6.0736 6.0736 6.3255 6.3255 8.7235 8.7235 9.7042 9.7042 9.8675 9.8675 10.2566 10.2566 10.9534 10.9534 k = 0.1724 0.0995-0.0000 ( 14469 PWs) bands (ev): -13.2374 -13.2374 -6.9342 -6.9342 -5.9924 -5.9924 -2.0445 -2.0445 -0.6994 -0.6994 -0.5867 -0.5867 0.6907 0.6907 0.7581 0.7581 1.0435 1.0435 2.2106 2.2106 2.3517 2.3517 2.4652 2.4652 2.7410 2.7410 3.2149 3.2149 3.4584 3.4584 3.6279 3.6279 3.9453 3.9453 4.0163 4.0163 4.2077 4.2077 4.3110 4.3110 4.5789 4.5789 4.7622 4.7622 4.9341 4.9341 5.1965 5.1965 5.3465 5.3465 6.0278 6.0278 6.3102 6.3102 8.7578 8.7578 9.6624 9.6624 9.8828 9.8828 10.2735 10.2735 10.9768 10.9768 k = 0.1897 0.1095-0.0000 ( 14467 PWs) bands (ev): -13.2372 -13.2372 -6.9235 -6.9235 -6.0084 -6.0084 -2.0455 -2.0455 -0.7041 -0.7041 -0.5903 -0.5903 0.7096 0.7096 0.7863 0.7863 1.0767 1.0767 2.2100 2.2100 2.3531 2.3531 2.4671 2.4671 2.7467 2.7467 3.1923 3.1923 3.4244 3.4244 3.6047 3.6047 3.9188 3.9188 4.0094 4.0094 4.1944 4.1944 4.2859 4.2859 4.5774 4.5774 4.7742 4.7742 4.9593 4.9593 5.2125 5.2125 5.3717 5.3717 5.9842 5.9842 6.2952 6.2952 8.7881 8.7881 9.6214 9.6214 9.9005 9.9005 10.2922 10.2922 11.0006 11.0006 k = 0.2069 0.1195-0.0000 ( 14459 PWs) bands (ev): -13.2370 -13.2370 -6.9120 -6.9120 -6.0256 -6.0256 -2.0464 -2.0464 -0.7086 -0.7086 -0.5937 -0.5937 0.7295 0.7295 0.8160 0.8160 1.1120 1.1120 2.2070 2.2070 2.3546 2.3546 2.4693 2.4693 2.7524 2.7524 3.1638 3.1638 3.3915 3.3915 3.5865 3.5865 3.8882 3.8882 4.0071 4.0071 4.1826 4.1826 4.2635 4.2635 4.5750 4.5750 4.7804 4.7804 4.9806 4.9806 5.2273 5.2273 5.3978 5.3978 5.9449 5.9449 6.2806 6.2806 8.8123 8.8123 9.5857 9.5857 9.9173 9.9173 10.3124 10.3124 11.0246 11.0246 k = 0.2241 0.1294-0.0000 ( 14473 PWs) bands (ev): -13.2368 -13.2368 -6.8995 -6.8995 -6.0438 -6.0438 -2.0473 -2.0473 -0.7128 -0.7128 -0.5968 -0.5968 0.7503 0.7503 0.8469 0.8469 1.1489 1.1489 2.2011 2.2011 2.3561 2.3561 2.4714 2.4714 2.7581 2.7581 3.1286 3.1286 3.3626 3.3626 3.5723 3.5723 3.8565 3.8565 4.0070 4.0070 4.1717 4.1717 4.2442 4.2442 4.5719 4.5719 4.7809 4.7809 4.9968 4.9968 5.2415 5.2415 5.4236 5.4236 5.9118 5.9118 6.2662 6.2662 8.8283 8.8283 9.5580 9.5580 9.9314 9.9314 10.3337 10.3337 11.0483 11.0483 k = 0.2414 0.1394-0.0000 ( 14469 PWs) bands (ev): -13.2366 -13.2366 -6.8863 -6.8863 -6.0629 -6.0629 -2.0480 -2.0480 -0.7168 -0.7168 -0.5997 -0.5997 0.7717 0.7717 0.8789 0.8789 1.1871 1.1871 2.1918 2.1918 2.3578 2.3578 2.4736 2.4736 2.7637 2.7637 3.0871 3.0871 3.3393 3.3393 3.5612 3.5612 3.8253 3.8253 4.0078 4.0078 4.1610 4.1610 4.2282 4.2282 4.5681 4.5681 4.7761 4.7761 5.0069 5.0069 5.2552 5.2552 5.4487 5.4487 5.8866 5.8866 6.2523 6.2523 8.8345 8.8345 9.5400 9.5400 9.9417 9.9417 10.3558 10.3558 11.0717 11.0717 k = 0.2586 0.1493-0.0000 ( 14467 PWs) bands (ev): -13.2363 -13.2363 -6.8724 -6.8724 -6.0828 -6.0828 -2.0487 -2.0487 -0.7203 -0.7203 -0.6022 -0.6022 0.7936 0.7936 0.9120 0.9120 1.2261 1.2261 2.1790 2.1790 2.3594 2.3594 2.4757 2.4757 2.7689 2.7689 3.0405 3.0405 3.3221 3.3221 3.5527 3.5527 3.7956 3.7956 4.0089 4.0089 4.1501 4.1501 4.2159 4.2159 4.5636 4.5636 4.7667 4.7667 5.0099 5.0099 5.2682 5.2682 5.4732 5.4732 5.8702 5.8702 6.2389 6.2389 8.8304 8.8304 9.5319 9.5319 9.9477 9.9477 10.3787 10.3787 11.0947 11.0947 k = 0.2759 0.1593-0.0000 ( 14455 PWs) bands (ev): -13.2361 -13.2361 -6.8577 -6.8577 -6.1033 -6.1033 -2.0493 -2.0493 -0.7236 -0.7236 -0.6043 -0.6043 0.8158 0.8158 0.9460 0.9460 1.2655 1.2655 2.1627 2.1627 2.3610 2.3610 2.4775 2.4775 2.7735 2.7735 2.9905 2.9905 3.3102 3.3102 3.5466 3.5466 3.7680 3.7680 4.0097 4.0097 4.1385 4.1385 4.2077 4.2077 4.5584 4.5584 4.7534 4.7534 5.0050 5.0050 5.2808 5.2808 5.4972 5.4972 5.8626 5.8626 6.2260 6.2260 8.8166 8.8166 9.5326 9.5326 9.9497 9.9497 10.4020 10.4020 11.1175 11.1175 k = 0.2931 0.1692-0.0000 ( 14453 PWs) bands (ev): -13.2359 -13.2359 -6.8425 -6.8425 -6.1244 -6.1244 -2.0497 -2.0497 -0.7265 -0.7265 -0.6060 -0.6060 0.8380 0.8380 0.9809 0.9809 1.3047 1.3047 2.1432 2.1432 2.3625 2.3625 2.4789 2.4789 2.7773 2.7773 2.9389 2.9389 3.3031 3.3031 3.5428 3.5428 3.7429 3.7429 4.0095 4.0095 4.1263 4.1263 4.2035 4.2035 4.5522 4.5522 4.7370 4.7370 4.9924 4.9924 5.2934 5.2934 5.5210 5.5210 5.8628 5.8628 6.2138 6.2138 8.7945 8.7945 9.5393 9.5393 9.9491 9.9491 10.4255 10.4255 11.1405 11.1405 k = 0.3103 0.1792-0.0000 ( 14461 PWs) bands (ev): -13.2357 -13.2357 -6.8269 -6.8269 -6.1457 -6.1457 -2.0500 -2.0500 -0.7290 -0.7290 -0.6073 -0.6073 0.8601 0.8601 1.0164 1.0164 1.3432 1.3432 2.1209 2.1209 2.3636 2.3636 2.4797 2.4797 2.7797 2.7797 2.8877 2.8877 3.3000 3.3000 3.5408 3.5408 3.7207 3.7207 4.0079 4.0079 4.1141 4.1141 4.2029 4.2029 4.5452 4.5452 4.7184 4.7184 4.9732 4.9732 5.3061 5.3061 5.5447 5.5447 5.8693 5.8693 6.2024 6.2024 8.7664 8.7664 9.5489 9.5489 9.9478 9.9478 10.4488 10.4488 11.1635 11.1635 k = 0.3276 0.1891-0.0000 ( 14461 PWs) bands (ev): -13.2355 -13.2355 -6.8109 -6.8109 -6.1671 -6.1671 -2.0503 -2.0503 -0.7313 -0.7313 -0.6082 -0.6082 0.8816 0.8816 1.0525 1.0525 1.3805 1.3805 2.0965 2.0965 2.3642 2.3642 2.4798 2.4798 2.7779 2.7779 2.8404 2.8404 3.3004 3.3004 3.5402 3.5402 3.7021 3.7021 4.0045 4.0045 4.1023 4.1023 4.2057 4.2057 4.5369 4.5369 4.6981 4.6981 4.9492 4.9492 5.3190 5.3190 5.5681 5.5681 5.8803 5.8803 6.1918 6.1918 8.7344 8.7344 9.5577 9.5577 9.9483 9.9483 10.4717 10.4717 11.1858 11.1858 k = 0.3448 0.1991-0.0000 ( 14471 PWs) bands (ev): -13.2353 -13.2353 -6.7948 -6.7948 -6.1884 -6.1884 -2.0504 -2.0504 -0.7333 -0.7333 -0.6087 -0.6087 0.9024 0.9024 1.0891 1.0891 1.4156 1.4156 2.0710 2.0710 2.3641 2.3641 2.4792 2.4792 2.7601 2.7601 2.8100 2.8100 3.3037 3.3037 3.5400 3.5400 3.6878 3.6878 3.9989 3.9989 4.0912 4.0912 4.2115 4.2115 4.5274 4.5274 4.6769 4.6769 4.9225 4.9225 5.3317 5.3317 5.5909 5.5909 5.8941 5.8941 6.1823 6.1823 8.7005 8.7005 9.5629 9.5629 9.9531 9.9531 10.4937 10.4937 11.2061 11.2061 k = 0.3621 0.2090-0.0000 ( 14491 PWs) bands (ev): -13.2351 -13.2351 -6.7787 -6.7787 -6.2093 -6.2093 -2.0505 -2.0505 -0.7351 -0.7351 -0.6088 -0.6088 0.9221 0.9221 1.1258 1.1258 1.4479 1.4479 2.0456 2.0456 2.3631 2.3631 2.4781 2.4781 2.7209 2.7209 2.8027 2.8027 3.3097 3.3097 3.5387 3.5387 3.6792 3.6792 3.9907 3.9907 4.0812 4.0812 4.2199 4.2199 4.5165 4.5165 4.6553 4.6553 4.8950 4.8950 5.3441 5.3441 5.6128 5.6128 5.9092 5.9092 6.1740 6.1740 8.6661 8.6661 9.5628 9.5628 9.9637 9.9637 10.5145 10.5145 11.2225 11.2225 k = 0.3793 0.2190-0.0000 ( 14488 PWs) bands (ev): -13.2349 -13.2349 -6.7629 -6.7629 -6.2295 -6.2295 -2.0506 -2.0506 -0.7366 -0.7366 -0.6087 -0.6087 0.9404 0.9404 1.1625 1.1625 1.4761 1.4761 2.0214 2.0214 2.3608 2.3608 2.4764 2.4764 2.6777 2.6777 2.8021 2.8021 3.3178 3.3178 3.5346 3.5346 3.6776 3.6776 3.9798 3.9798 4.0724 4.0724 4.2305 4.2305 4.5042 4.5042 4.6339 4.6339 4.8686 4.8686 5.3557 5.3557 5.6333 5.6333 5.9243 5.9243 6.1670 6.1670 8.6327 8.6327 9.5574 9.5574 9.9801 9.9801 10.5338 10.5338 11.2321 11.2321 k = 0.3966 0.2289-0.0000 ( 14502 PWs) bands (ev): -13.2348 -13.2348 -6.7478 -6.7478 -6.2485 -6.2485 -2.0506 -2.0506 -0.7379 -0.7379 -0.6084 -0.6084 0.9572 0.9572 1.1987 1.1987 1.4991 1.4991 1.9999 1.9999 2.3570 2.3570 2.4746 2.4746 2.6368 2.6368 2.8028 2.8028 3.3277 3.3277 3.5269 3.5269 3.6834 3.6834 3.9663 3.9663 4.0649 4.0649 4.2431 4.2431 4.4905 4.4905 4.6133 4.6133 4.8445 4.8445 5.3663 5.3663 5.6521 5.6521 5.9384 5.9384 6.1614 6.1614 8.6014 8.6014 9.5479 9.5479 10.0009 10.0009 10.5513 10.5513 11.2330 11.2330 k = 0.4138 0.2389-0.0000 ( 14492 PWs) bands (ev): -13.2347 -13.2347 -6.7336 -6.7336 -6.2660 -6.2660 -2.0505 -2.0505 -0.7390 -0.7390 -0.6080 -0.6080 0.9719 0.9719 1.2339 1.2339 1.5157 1.5157 1.9824 1.9824 2.3514 2.3514 2.4729 2.4729 2.6002 2.6002 2.8037 2.8037 3.3392 3.3392 3.5160 3.5160 3.6958 3.6958 3.9503 3.9503 4.0586 4.0586 4.2571 4.2571 4.4756 4.4756 4.5943 4.5943 4.8237 4.8237 5.3756 5.3756 5.6688 5.6688 5.9507 5.9507 6.1574 6.1574 8.5732 8.5732 9.5361 9.5361 10.0240 10.0240 10.5668 10.5668 11.2250 11.2250 k = 0.4310 0.2489-0.0000 ( 14496 PWs) bands (ev): -13.2346 -13.2346 -6.7210 -6.7210 -6.2815 -6.2815 -2.0505 -2.0505 -0.7399 -0.7399 -0.6075 -0.6075 0.9845 0.9845 1.2674 1.2674 1.5252 1.5252 1.9698 1.9698 2.3443 2.3443 2.4718 2.4718 2.5691 2.5691 2.8045 2.8045 3.3517 3.3517 3.5027 3.5027 3.7130 3.7130 3.9321 3.9321 4.0535 4.0535 4.2721 4.2721 4.4600 4.4600 4.5773 4.5773 4.8066 4.8066 5.3835 5.3835 5.6831 5.6831 5.9607 5.9607 6.1548 6.1548 8.5489 8.5489 9.5240 9.5240 10.0470 10.0470 10.5800 10.5800 11.2110 11.2110 k = 0.4483 0.2588-0.0000 ( 14510 PWs) bands (ev): -13.2345 -13.2345 -6.7103 -6.7103 -6.2945 -6.2945 -2.0504 -2.0504 -0.7405 -0.7405 -0.6070 -0.6070 0.9945 0.9945 1.2979 1.2979 1.5280 1.5280 1.9622 1.9622 2.3362 2.3362 2.4715 2.4715 2.5442 2.5442 2.8052 2.8052 3.3648 3.3648 3.4885 3.4885 3.7333 3.7333 3.9123 3.9123 4.0496 4.0496 4.2872 4.2872 4.4444 4.4444 4.5632 4.5632 4.7935 4.7935 5.3897 5.3897 5.6947 5.6947 5.9682 5.9683 6.1534 6.1534 8.5292 8.5292 9.5130 9.5130 10.0678 10.0678 10.5907 10.5907 11.1948 11.1948 k = 0.4655 0.2688-0.0000 ( 14496 PWs) bands (ev): -13.2344 -13.2344 -6.7021 -6.7021 -6.3042 -6.3042 -2.0504 -2.0504 -0.7410 -0.7410 -0.6066 -0.6066 1.0019 1.0019 1.3234 1.3234 1.5256 1.5256 1.9585 1.9585 2.3285 2.3285 2.4721 2.4721 2.5257 2.5257 2.8057 2.8057 3.3775 3.3775 3.4747 3.4747 3.7542 3.7542 3.8924 3.8924 4.0468 4.0468 4.3011 4.3011 4.4301 4.4301 4.5527 4.5527 4.7842 4.7842 5.3943 5.3943 5.7031 5.7031 5.9734 5.9734 6.1529 6.1529 8.5147 8.5147 9.5044 9.5044 10.0843 10.0843 10.5986 10.5986 11.1803 11.1803 k = 0.4828 0.2787-0.0000 ( 14486 PWs) bands (ev): -13.2344 -13.2344 -6.6970 -6.6970 -6.3104 -6.3104 -2.0503 -2.0503 -0.7413 -0.7413 -0.6064 -0.6064 1.0063 1.0063 1.3411 1.3411 1.5215 1.5215 1.9574 1.9574 2.3229 2.3229 2.4733 2.4733 2.5139 2.5139 2.8061 2.8061 3.3877 3.3877 3.4638 3.4638 3.7720 3.7720 3.8753 3.8753 4.0451 4.0451 4.3118 4.3118 4.4192 4.4192 4.5461 4.5461 4.7787 4.7787 5.3970 5.3970 5.7083 5.7083 5.9764 5.9764 6.1528 6.1528 8.5058 8.5058 9.4990 9.4990 10.0949 10.0949 10.6034 10.6034 11.1704 11.1704 k = 0.5000 0.2887-0.0000 ( 14482 PWs) bands (ev): -13.2344 -13.2344 -6.6953 -6.6953 -6.3124 -6.3124 -2.0503 -2.0503 -0.7414 -0.7414 -0.6063 -0.6063 1.0078 1.0078 1.3476 1.3476 1.5195 1.5195 1.9572 1.9572 2.3208 2.3208 2.4739 2.4739 2.5098 2.5098 2.8062 2.8062 3.3919 3.3919 3.4592 3.4592 3.7798 3.7798 3.8678 3.8678 4.0445 4.0445 4.3160 4.3160 4.4149 4.4149 4.5439 4.5439 4.7769 4.7769 5.3979 5.3979 5.7101 5.7101 5.9773 5.9773 6.1528 6.1528 8.5028 8.5028 9.4971 9.4971 10.0986 10.0986 10.6050 10.6050 11.1669 11.1669 k = 0.5000 0.2887-0.0000 ( 14482 PWs) bands (ev): -13.2344 -13.2344 -6.6953 -6.6953 -6.3124 -6.3124 -2.0503 -2.0503 -0.7414 -0.7414 -0.6063 -0.6063 1.0078 1.0078 1.3476 1.3476 1.5195 1.5195 1.9572 1.9572 2.3208 2.3208 2.4739 2.4739 2.5098 2.5098 2.8062 2.8062 3.3919 3.3919 3.4592 3.4592 3.7798 3.7798 3.8678 3.8678 4.0445 4.0445 4.3160 4.3160 4.4149 4.4149 4.5439 4.5439 4.7769 4.7769 5.3979 5.3979 5.7101 5.7101 5.9773 5.9773 6.1528 6.1528 8.5028 8.5028 9.4971 9.4971 10.0986 10.0986 10.6050 10.6050 11.1669 11.1669 k = 0.4902 0.3057-0.0000 ( 14482 PWs) bands (ev): -13.2344 -13.2344 -6.6946 -6.6946 -6.3133 -6.3133 -2.0502 -2.0502 -0.7409 -0.7409 -0.6063 -0.6063 1.0073 1.0073 1.3475 1.3475 1.5200 1.5200 1.9576 1.9576 2.3198 2.3198 2.4673 2.4673 2.5166 2.5166 2.8065 2.8065 3.3911 3.3911 3.4598 3.4598 3.7747 3.7747 3.8739 3.8739 4.0448 4.0448 4.3160 4.3160 4.4147 4.4147 4.5437 4.5437 4.7772 4.7772 5.3995 5.3995 5.7096 5.7096 5.9759 5.9759 6.1492 6.1492 8.5092 8.5092 9.4945 9.4945 10.0918 10.0918 10.6064 10.6064 11.1691 11.1691 k = 0.4804 0.3226-0.0000 ( 14486 PWs) bands (ev): -13.2343 -13.2343 -6.6925 -6.6925 -6.3157 -6.3157 -2.0498 -2.0498 -0.7395 -0.7395 -0.6064 -0.6064 1.0058 1.0058 1.3474 1.3474 1.5212 1.5212 1.9589 1.9589 2.3171 2.3171 2.4539 2.4539 2.5306 2.5306 2.8076 2.8076 3.3886 3.3886 3.4613 3.4613 3.7623 3.7623 3.8891 3.8891 4.0456 4.0456 4.3158 4.3158 4.4141 4.4141 4.5433 4.5433 4.7780 4.7780 5.4041 5.4041 5.7082 5.7082 5.9716 5.9716 6.1389 6.1389 8.5283 8.5283 9.4871 9.4871 10.0719 10.0719 10.6105 10.6105 11.1755 11.1755 k = 0.4706 0.3396-0.0000 ( 14480 PWs) bands (ev): -13.2343 -13.2343 -6.6892 -6.6892 -6.3198 -6.3198 -2.0493 -2.0493 -0.7371 -0.7371 -0.6065 -0.6065 1.0033 1.0033 1.3474 1.3474 1.5231 1.5231 1.9610 1.9610 2.3127 2.3127 2.4383 2.4383 2.5468 2.5468 2.8093 2.8093 3.3847 3.3847 3.4635 3.4635 3.7468 3.7468 3.9091 3.9091 4.0469 4.0469 4.3156 4.3156 4.4130 4.4130 4.5426 4.5426 4.7796 4.7796 5.4112 5.4112 5.7052 5.7052 5.9641 5.9641 6.1238 6.1238 8.5592 8.5592 9.4752 9.4752 10.0404 10.0404 10.6172 10.6172 11.1852 11.1852 k = 0.4608 0.3566-0.0000 ( 14478 PWs) bands (ev): -13.2343 -13.2343 -6.6845 -6.6845 -6.3254 -6.3254 -2.0485 -2.0485 -0.7338 -0.7338 -0.6067 -0.6067 0.9998 0.9998 1.3479 1.3479 1.5254 1.5254 1.9639 1.9639 2.3069 2.3069 2.4218 2.4218 2.5642 2.5642 2.8115 2.8115 3.3800 3.3800 3.4660 3.4660 3.7305 3.7305 3.9314 3.9314 4.0490 4.0490 4.3154 4.3154 4.4115 4.4115 4.5419 4.5419 4.7822 4.7822 5.4200 5.4200 5.7001 5.7001 5.9529 5.9529 6.1062 6.1062 8.6005 8.6005 9.4596 9.4596 9.9996 9.9996 10.6262 10.6262 11.1967 11.1967 k = 0.4510 0.3736-0.0000 ( 14476 PWs) bands (ev): -13.2343 -13.2343 -6.6784 -6.6784 -6.3326 -6.3326 -2.0476 -2.0476 -0.7298 -0.7298 -0.6069 -0.6069 0.9955 0.9955 1.3492 1.3492 1.5277 1.5277 1.9675 1.9675 2.3001 2.3001 2.4047 2.4047 2.5822 2.5822 2.8139 2.8139 3.3746 3.3746 3.4686 3.4686 3.7143 3.7143 3.9544 3.9544 4.0519 4.0519 4.3150 4.3150 4.4096 4.4096 4.5413 4.5413 4.7862 4.7862 5.4293 5.4293 5.6922 5.6922 5.9384 5.9384 6.0891 6.0891 8.6505 8.6505 9.4411 9.4411 9.9518 9.9518 10.6370 10.6370 11.2088 11.2088 k = 0.4412 0.3906-0.0000 ( 14493 PWs) bands (ev): -13.2342 -13.2342 -6.6711 -6.6711 -6.3413 -6.3413 -2.0465 -2.0465 -0.7251 -0.7251 -0.6072 -0.6072 0.9905 0.9905 1.3516 1.3516 1.5297 1.5297 1.9718 1.9718 2.2925 2.2925 2.3870 2.3870 2.6006 2.6006 2.8163 2.8163 3.3690 3.3690 3.4709 3.4709 3.6988 3.6988 3.9770 3.9770 4.0562 4.0562 4.3147 4.3147 4.4072 4.4072 4.5411 4.5411 4.7917 4.7917 5.4369 5.4369 5.6809 5.6809 5.9215 5.9215 6.0743 6.0743 8.7075 8.7075 9.4208 9.4208 9.8994 9.8994 10.6488 10.6488 11.2197 11.2197 k = 0.4314 0.4075-0.0000 ( 14497 PWs) bands (ev): -13.2342 -13.2342 -6.6624 -6.6624 -6.3514 -6.3514 -2.0453 -2.0453 -0.7200 -0.7200 -0.6075 -0.6075 0.9850 0.9850 1.3552 1.3552 1.5314 1.5314 1.9768 1.9768 2.2844 2.2844 2.3688 2.3688 2.6193 2.6193 2.8185 2.8185 3.3633 3.3633 3.4727 3.4727 3.6842 3.6842 3.9977 3.9977 4.0627 4.0627 4.3144 4.3144 4.4044 4.4044 4.5416 4.5416 4.7991 4.7991 5.4398 5.4398 5.6674 5.6674 5.9046 5.9046 6.0629 6.0629 8.7693 8.7693 9.3996 9.3996 9.8444 9.8444 10.6610 10.6610 11.2278 11.2278 k = 0.4216 0.4245-0.0000 ( 14511 PWs) bands (ev): -13.2341 -13.2341 -6.6525 -6.6525 -6.3629 -6.3629 -2.0441 -2.0441 -0.7146 -0.7146 -0.6078 -0.6078 0.9794 0.9794 1.3602 1.3602 1.5324 1.5324 1.9823 1.9823 2.2760 2.2760 2.3505 2.3505 2.6380 2.6380 2.8202 2.8202 3.3580 3.3580 3.4736 3.4736 3.6708 3.6708 4.0147 4.0147 4.0727 4.0727 4.3143 4.3143 4.4010 4.4010 4.5431 4.5431 4.8087 4.8087 5.4331 5.4331 5.6553 5.6553 5.8896 5.8896 6.0546 6.0546 8.8340 8.8340 9.3786 9.3786 9.7885 9.7885 10.6730 10.6730 11.2318 11.2318 k = 0.4118 0.4415-0.0000 ( 14509 PWs) bands (ev): -13.2341 -13.2341 -6.6414 -6.6414 -6.3756 -6.3756 -2.0428 -2.0428 -0.7090 -0.7090 -0.6081 -0.6081 0.9737 0.9737 1.3663 1.3663 1.5328 1.5328 1.9882 1.9882 2.2676 2.2676 2.3321 2.3321 2.6566 2.6566 2.8212 2.8212 3.3532 3.3532 3.4735 3.4735 3.6587 3.6587 4.0266 4.0266 4.0868 4.0868 4.3146 4.3146 4.3971 4.3971 4.5458 4.5458 4.8205 4.8205 5.4126 5.4126 5.6494 5.6494 5.8771 5.8771 6.0490 6.0490 8.8992 8.8992 9.3587 9.3587 9.7333 9.7333 10.6844 10.6844 11.2313 11.2313 k = 0.4020 0.4585-0.0000 ( 14505 PWs) bands (ev): -13.2340 -13.2340 -6.6291 -6.6291 -6.3895 -6.3895 -2.0417 -2.0417 -0.7036 -0.7036 -0.6085 -0.6085 0.9685 0.9685 1.3733 1.3733 1.5327 1.5327 1.9944 1.9944 2.2593 2.2593 2.3142 2.3142 2.6748 2.6748 2.8214 2.8214 3.3492 3.3492 3.4721 3.4721 3.6482 3.6482 4.0343 4.0343 4.1037 4.1037 4.3156 4.3156 4.3924 4.3924 4.5500 4.5500 4.8347 4.8347 5.3776 5.3776 5.6518 5.6518 5.8669 5.8669 6.0456 6.0456 8.9628 8.9628 9.3410 9.3410 9.6798 9.6798 10.6948 10.6948 11.2274 11.2274 k = 0.3922 0.4755-0.0000 ( 14521 PWs) bands (ev): -13.2340 -13.2340 -6.6156 -6.6156 -6.4046 -6.4046 -2.0405 -2.0405 -0.6984 -0.6984 -0.6088 -0.6088 0.9638 0.9638 1.3810 1.3810 1.5321 1.5321 2.0006 2.0006 2.2512 2.2512 2.2969 2.2969 2.6926 2.6926 2.8205 2.8205 3.3462 3.3462 3.4693 3.4693 3.6395 3.6395 4.0392 4.0392 4.1213 4.1213 4.3174 4.3174 4.3869 4.3869 4.5558 4.5558 4.8513 4.8513 5.3314 5.3314 5.6613 5.6613 5.8578 5.8578 6.0440 6.0440 9.0221 9.0221 9.3270 9.3270 9.6290 9.6290 10.7039 10.7039 11.2223 11.2223 k = 0.3824 0.4924-0.0000 ( 14511 PWs) bands (ev): -13.2340 -13.2340 -6.6010 -6.6010 -6.4207 -6.4207 -2.0395 -2.0395 -0.6937 -0.6937 -0.6090 -0.6090 0.9598 0.9598 1.3889 1.3889 1.5312 1.5312 2.0067 2.0067 2.2436 2.2436 2.2808 2.2808 2.7096 2.7096 2.8184 2.8184 3.3442 3.3442 3.4652 3.4652 3.6325 3.6325 4.0424 4.0424 4.1382 4.1382 4.3201 4.3201 4.3807 4.3807 4.5630 4.5630 4.8702 4.8702 5.2787 5.2787 5.6751 5.6751 5.8492 5.8492 6.0438 6.0438 9.0740 9.0740 9.3185 9.3185 9.5816 9.5816 10.7115 10.7115 11.2190 11.2190 k = 0.3725 0.5094-0.0000 ( 14517 PWs) bands (ev): -13.2339 -13.2339 -6.5853 -6.5853 -6.4376 -6.4376 -2.0387 -2.0387 -0.6897 -0.6897 -0.6092 -0.6092 0.9568 0.9568 1.3963 1.3963 1.5303 1.5303 2.0123 2.0123 2.2366 2.2366 2.2664 2.2664 2.7258 2.7258 2.8149 2.8149 3.3434 3.3434 3.4600 3.4600 3.6273 3.6273 4.0445 4.0445 4.1532 4.1532 4.3238 4.3238 4.3738 4.3738 4.5711 4.5711 4.8911 4.8911 5.2239 5.2239 5.6908 5.6908 5.8405 5.8405 6.0446 6.0446 9.1152 9.1152 9.3177 9.3177 9.5385 9.5385 10.7176 10.7176 11.2207 11.2207 k = 0.3627 0.5264-0.0000 ( 14503 PWs) bands (ev): -13.2339 -13.2339 -6.5686 -6.5686 -6.4554 -6.4554 -2.0380 -2.0380 -0.6865 -0.6865 -0.6093 -0.6093 0.9547 0.9547 1.4028 1.4028 1.5297 1.5297 2.0172 2.0172 2.2303 2.2303 2.2544 2.2544 2.7409 2.7409 2.8100 2.8100 3.3436 3.3436 3.4542 3.4542 3.6237 3.6237 4.0459 4.0459 4.1658 4.1658 4.3284 4.3284 4.3665 4.3665 4.5794 4.5794 4.9135 4.9135 5.1709 5.1709 5.7066 5.7066 5.8317 5.8317 6.0459 6.0459 9.1430 9.1430 9.3261 9.3261 9.5001 9.5001 10.7220 10.7220 11.2298 11.2298 k = 0.3529 0.5434-0.0000 ( 14519 PWs) bands (ev): -13.2339 -13.2339 -6.5509 -6.5509 -6.4740 -6.4740 -2.0374 -2.0374 -0.6841 -0.6841 -0.6093 -0.6093 0.9535 0.9535 1.4079 1.4079 1.5294 1.5294 2.0210 2.0210 2.2251 2.2251 2.2454 2.2454 2.7545 2.7545 2.8038 2.8038 3.3447 3.3447 3.4487 3.4487 3.6214 3.6214 4.0467 4.0467 4.1755 4.1755 4.3336 4.3336 4.3592 4.3592 4.5869 4.5869 4.9358 4.9358 5.1237 5.1237 5.7207 5.7207 5.8233 5.8233 6.0474 6.0474 9.1581 9.1581 9.3419 9.3419 9.4676 9.4676 10.7250 10.7250 11.2478 11.2478 k = 0.3431 0.5604-0.0000 ( 14523 PWs) bands (ev): -13.2338 -13.2338 -6.5323 -6.5323 -6.4931 -6.4931 -2.0371 -2.0371 -0.6827 -0.6827 -0.6093 -0.6093 0.9530 0.9530 1.4110 1.4110 1.5294 1.5294 2.0234 2.0234 2.2214 2.2214 2.2400 2.2400 2.7658 2.7658 2.7969 2.7969 3.3460 3.3460 3.4444 3.4444 3.6202 3.6202 4.0471 4.0471 4.1817 4.1817 4.3392 4.3392 4.3522 4.3522 4.5922 4.5922 4.9543 4.9543 5.0888 5.0888 5.7311 5.7311 5.8166 5.8166 6.0485 6.0485 9.1643 9.1643 9.3586 9.3586 9.4433 9.4433 10.7266 10.7266 11.2743 11.2743 k = 0.3333 0.5774-0.0000 ( 14529 PWs) bands (ev): -13.2338 -13.2338 -6.5132 -6.5132 -6.5124 -6.5124 -2.0370 -2.0370 -0.6823 -0.6823 -0.6093 -0.6093 0.9529 0.9529 1.4121 1.4121 1.5295 1.5295 2.0242 2.0242 2.2199 2.2199 2.2382 2.2382 2.7713 2.7713 2.7929 2.7929 3.3466 3.3466 3.4427 3.4427 3.6199 3.6199 4.0473 4.0473 4.1839 4.1839 4.3437 4.3437 4.3472 4.3472 4.5941 4.5941 4.9618 4.9618 5.0755 5.0755 5.7350 5.7350 5.8140 5.8140 6.0489 6.0489 9.1658 9.1658 9.3664 9.3664 9.4335 9.4335 10.7271 10.7271 11.2954 11.2954 k = 0.3333 0.5774-0.0000 ( 14529 PWs) bands (ev): -13.2338 -13.2338 -6.5132 -6.5132 -6.5124 -6.5124 -2.0370 -2.0370 -0.6823 -0.6823 -0.6093 -0.6093 0.9529 0.9529 1.4121 1.4121 1.5295 1.5295 2.0242 2.0242 2.2199 2.2199 2.2382 2.2382 2.7713 2.7713 2.7929 2.7929 3.3466 3.3466 3.4427 3.4427 3.6199 3.6199 4.0473 4.0473 4.1839 4.1839 4.3437 4.3437 4.3472 4.3472 4.5941 4.5941 4.9618 4.9618 5.0755 5.0755 5.7350 5.7350 5.8140 5.8140 6.0489 6.0489 9.1658 9.1658 9.3664 9.3664 9.4335 9.4335 10.7271 10.7271 11.2954 11.2954 k = 0.3235 0.5604-0.0000 ( 14523 PWs) bands (ev): -13.2338 -13.2338 -6.5329 -6.5329 -6.4925 -6.4925 -2.0371 -2.0371 -0.6827 -0.6827 -0.6093 -0.6093 0.9529 0.9529 1.4110 1.4110 1.5293 1.5293 2.0234 2.0234 2.2216 2.2216 2.2399 2.2399 2.7657 2.7657 2.7971 2.7971 3.3457 3.3457 3.4447 3.4447 3.6202 3.6202 4.0472 4.0472 4.1816 4.1816 4.3391 4.3391 4.3522 4.3522 4.5921 4.5921 4.9565 4.9565 5.0869 5.0869 5.7310 5.7310 5.8166 5.8166 6.0484 6.0484 9.1649 9.1649 9.3598 9.3598 9.4418 9.4418 10.7266 10.7266 11.2711 11.2711 k = 0.3137 0.5434-0.0000 ( 14521 PWs) bands (ev): -13.2339 -13.2339 -6.5533 -6.5533 -6.4715 -6.4715 -2.0374 -2.0374 -0.6840 -0.6840 -0.6094 -0.6094 0.9525 0.9525 1.4076 1.4076 1.5284 1.5284 2.0210 2.0210 2.2271 2.2271 2.2452 2.2452 2.7539 2.7539 2.8046 2.8046 3.3429 3.3429 3.4509 3.4509 3.6211 3.6211 4.0470 4.0470 4.1744 4.1744 4.3329 4.3329 4.3594 4.3594 4.5867 4.5867 4.9488 4.9488 5.1131 5.1131 5.7203 5.7203 5.8232 5.8232 6.0468 6.0468 9.1629 9.1629 9.3471 9.3471 9.4592 9.4592 10.7255 10.7255 11.2339 11.2339 k = 0.3039 0.5264-0.0000 ( 14505 PWs) bands (ev): -13.2339 -13.2339 -6.5740 -6.5740 -6.4498 -6.4498 -2.0379 -2.0379 -0.6859 -0.6859 -0.6096 -0.6096 0.9514 0.9514 1.4018 1.4018 1.5267 1.5267 2.0174 2.0174 2.2356 2.2356 2.2548 2.2548 2.7396 2.7396 2.8120 2.8120 3.3383 3.3383 3.4609 3.4609 3.6225 3.6225 4.0467 4.0467 4.1627 4.1627 4.3253 4.3253 4.3679 4.3679 4.5796 4.5796 4.9457 4.9457 5.1457 5.1457 5.7051 5.7051 5.8314 5.8314 6.0439 6.0439 9.1603 9.1603 9.3343 9.3343 9.4801 9.4801 10.7237 10.7237 11.1984 11.1984 k = 0.2941 0.5094-0.0000 ( 14493 PWs) bands (ev): -13.2339 -13.2339 -6.5948 -6.5948 -6.4275 -6.4275 -2.0385 -2.0385 -0.6884 -0.6884 -0.6099 -0.6099 0.9491 0.9491 1.3930 1.3930 1.5241 1.5241 2.0133 2.0133 2.2456 2.2456 2.2703 2.2703 2.7238 2.7238 2.8186 2.8186 3.3327 3.3327 3.4736 3.4736 3.6247 3.6247 4.0463 4.0463 4.1472 4.1472 4.3155 4.3155 4.3780 4.3780 4.5732 4.5732 4.9485 4.9485 5.1812 5.1812 5.6871 5.6871 5.8396 5.8396 6.0400 6.0400 9.1573 9.1573 9.3229 9.3229 9.5032 9.5032 10.7214 10.7214 11.1663 11.1663 k = 0.2843 0.4924-0.0000 ( 14489 PWs) bands (ev): -13.2340 -13.2340 -6.6157 -6.6157 -6.4047 -6.4047 -2.0393 -2.0393 -0.6913 -0.6913 -0.6102 -0.6102 0.9453 0.9453 1.3809 1.3809 1.5206 1.5206 2.0094 2.0094 2.2559 2.2559 2.2922 2.2922 2.7071 2.7071 2.8243 2.8243 3.3266 3.3266 3.4876 3.4876 3.6282 3.6282 4.0455 4.0455 4.1290 4.1290 4.3034 4.3034 4.3895 4.3895 4.5694 4.5694 4.9562 4.9562 5.2177 5.2177 5.6672 5.6672 5.8469 5.8469 6.0353 6.0353 9.1541 9.1541 9.3128 9.3128 9.5290 9.5290 10.7189 10.7189 11.1381 11.1381 k = 0.2745 0.4755-0.0000 ( 14483 PWs) bands (ev): -13.2341 -13.2341 -6.6365 -6.6365 -6.3815 -6.3815 -2.0402 -2.0402 -0.6946 -0.6946 -0.6106 -0.6106 0.9398 0.9398 1.3651 1.3651 1.5160 1.5160 2.0067 2.0067 2.2663 2.2663 2.3200 2.3200 2.6899 2.6899 2.8291 2.8291 3.3206 3.3206 3.5012 3.5012 3.6337 3.6337 4.0439 4.0439 4.1100 4.1100 4.2895 4.2895 4.4021 4.4021 4.5693 4.5693 4.9676 4.9676 5.2540 5.2540 5.6459 5.6459 5.8529 5.8529 6.0302 6.0302 9.1509 9.1509 9.3037 9.3037 9.5577 9.5577 10.7162 10.7162 11.1135 11.1135 k = 0.2647 0.4585-0.0000 ( 14489 PWs) bands (ev): -13.2342 -13.2342 -6.6573 -6.6573 -6.3579 -6.3579 -2.0412 -2.0412 -0.6981 -0.6981 -0.6110 -0.6110 0.9326 0.9326 1.3455 1.3455 1.5100 1.5100 2.0062 2.0062 2.2769 2.2769 2.3526 2.3526 2.6726 2.6726 2.8331 2.8331 3.3149 3.3149 3.5127 3.5127 3.6420 3.6420 4.0401 4.0401 4.0927 4.0927 4.2746 4.2746 4.4155 4.4155 4.5730 4.5730 4.9812 4.9812 5.2891 5.2891 5.6238 5.6238 5.8571 5.8571 6.0255 6.0255 9.1480 9.1480 9.2949 9.2949 9.5895 9.5895 10.7136 10.7136 11.0917 11.0917 k = 0.2549 0.4415-0.0000 ( 14497 PWs) bands (ev): -13.2343 -13.2343 -6.6778 -6.6778 -6.3340 -6.3340 -2.0422 -2.0422 -0.7016 -0.7016 -0.6114 -0.6114 0.9236 0.9236 1.3222 1.3222 1.5018 1.5018 2.0087 2.0087 2.2876 2.2876 2.3890 2.3890 2.6559 2.6559 2.8365 2.8365 3.3097 3.3097 3.5208 3.5208 3.6540 3.6540 4.0323 4.0323 4.0804 4.0804 4.2597 4.2597 4.4292 4.4292 4.5804 4.5804 4.9961 4.9961 5.3218 5.3218 5.6011 5.6011 5.8592 5.8592 6.0220 6.0220 9.1457 9.1457 9.2861 9.2861 9.6243 9.6243 10.7113 10.7113 11.0713 11.0713 k = 0.2451 0.4245-0.0000 ( 14501 PWs) bands (ev): -13.2344 -13.2344 -6.6982 -6.6982 -6.3099 -6.3099 -2.0432 -2.0432 -0.7051 -0.7051 -0.6116 -0.6116 0.9129 0.9129 1.2956 1.2956 1.4907 1.4907 2.0148 2.0148 2.2982 2.2982 2.4276 2.4276 2.6409 2.6409 2.8395 2.8395 3.3053 3.3053 3.5248 3.5248 3.6696 3.6696 4.0203 4.0203 4.0747 4.0747 4.2453 4.2453 4.4429 4.4429 4.5912 4.5912 5.0114 5.0114 5.3513 5.3513 5.5786 5.5786 5.8588 5.8588 6.0209 6.0209 9.1442 9.1442 9.2770 9.2770 9.6615 9.6615 10.7097 10.7097 11.0500 11.0500 k = 0.2353 0.4075-0.0000 ( 14495 PWs) bands (ev): -13.2346 -13.2346 -6.7182 -6.7182 -6.2858 -6.2858 -2.0442 -2.0442 -0.7085 -0.7085 -0.6118 -0.6118 0.9007 0.9007 1.2660 1.2660 1.4761 1.4761 2.0248 2.0248 2.3085 2.3085 2.4659 2.4659 2.6294 2.6294 2.8423 2.8423 3.3015 3.3015 3.5253 3.5253 3.6879 3.6879 4.0074 4.0074 4.0735 4.0735 4.2319 4.2319 4.4563 4.4563 4.6050 4.6050 5.0263 5.0263 5.3760 5.3760 5.5570 5.5570 5.8558 5.8558 6.0230 6.0230 9.1431 9.1431 9.2678 9.2678 9.7005 9.7005 10.7091 10.7091 11.0250 11.0250 k = 0.2255 0.3906-0.0000 ( 14501 PWs) bands (ev): -13.2347 -13.2347 -6.7378 -6.7378 -6.2616 -6.2616 -2.0451 -2.0451 -0.7115 -0.7115 -0.6117 -0.6117 0.8872 0.8872 1.2339 1.2339 1.4576 1.4576 2.0384 2.0384 2.3184 2.3184 2.4987 2.4987 2.6259 2.6259 2.8455 2.8455 3.2985 3.2985 3.5233 3.5233 3.7078 3.7078 3.9963 3.9963 4.0749 4.0749 4.2198 4.2198 4.4692 4.4692 4.6214 4.6214 5.0402 5.0402 5.3944 5.3944 5.5376 5.5376 5.8503 5.8503 6.0290 6.0290 9.1417 9.1417 9.2596 9.2596 9.7403 9.7403 10.7099 10.7099 10.9932 10.9932 k = 0.2157 0.3736-0.0000 ( 14489 PWs) bands (ev): -13.2349 -13.2349 -6.7570 -6.7570 -6.2376 -6.2376 -2.0460 -2.0460 -0.7141 -0.7141 -0.6114 -0.6114 0.8727 0.8727 1.1998 1.1998 1.4354 1.4354 2.0552 2.0552 2.3277 2.3277 2.5179 2.5179 2.6374 2.6374 2.8499 2.8499 3.2962 3.2962 3.5200 3.5200 3.7281 3.7281 3.9885 3.9885 4.0779 4.0779 4.2094 4.2094 4.4812 4.4812 4.6401 4.6401 5.0523 5.0523 5.4042 5.4042 5.5223 5.5223 5.8432 5.8432 6.0391 6.0391 9.1381 9.1381 9.2542 9.2542 9.7797 9.7797 10.7127 10.7127 10.9526 10.9526 k = 0.2059 0.3566-0.0000 ( 14485 PWs) bands (ev): -13.2351 -13.2351 -6.7757 -6.7757 -6.2137 -6.2137 -2.0467 -2.0467 -0.7163 -0.7163 -0.6109 -0.6109 0.8572 0.8572 1.1641 1.1641 1.4096 1.4096 2.0742 2.0742 2.3362 2.3362 2.5212 2.5212 2.6646 2.6646 2.8569 2.8569 3.2948 3.2948 3.5165 3.5165 3.7481 3.7481 3.9843 3.9843 4.0822 4.0822 4.2009 4.2009 4.4925 4.4925 4.6606 4.6606 5.0619 5.0619 5.4036 5.4036 5.5129 5.5129 5.8354 5.8354 6.0531 6.0531 9.1300 9.1300 9.2543 9.2543 9.8172 9.8172 10.7178 10.7178 10.9036 10.9036 k = 0.1961 0.3396-0.0000 ( 14473 PWs) bands (ev): -13.2353 -13.2353 -6.7938 -6.7938 -6.1901 -6.1901 -2.0473 -2.0473 -0.7179 -0.7179 -0.6101 -0.6101 0.8412 0.8412 1.1272 1.1272 1.3807 1.3807 2.0946 2.0946 2.3438 2.3438 2.5154 2.5154 2.6976 2.6976 2.8692 2.8692 3.2944 3.2944 3.5138 3.5138 3.7675 3.7675 3.9836 3.9836 4.0875 4.0875 4.1947 4.1947 4.5029 4.5029 4.6824 4.6824 5.0683 5.0683 5.3935 5.3935 5.5084 5.5084 5.8286 5.8286 6.0704 6.0704 9.1156 9.1156 9.2619 9.2619 9.8515 9.8515 10.7254 10.7254 10.8483 10.8483 k = 0.1863 0.3226-0.0000 ( 14461 PWs) bands (ev): -13.2355 -13.2355 -6.8114 -6.8114 -6.1668 -6.1668 -2.0478 -2.0478 -0.7189 -0.7189 -0.6090 -0.6090 0.8246 0.8246 1.0895 1.0895 1.3493 1.3493 2.1153 2.1153 2.3502 2.3502 2.5067 2.5067 2.7265 2.7265 2.8902 2.8902 3.2954 3.2954 3.5127 3.5127 3.7861 3.7861 3.9856 3.9856 4.0936 4.0936 4.1913 4.1913 4.5125 4.5125 4.7048 4.7048 5.0707 5.0707 5.3772 5.3772 5.5055 5.5055 5.8244 5.8244 6.0905 6.0905 9.0950 9.0950 9.2772 9.2772 9.8812 9.8812 10.7337 10.7337 10.7915 10.7915 k = 0.1765 0.3057-0.0000 ( 14457 PWs) bands (ev): -13.2357 -13.2357 -6.8283 -6.8283 -6.1441 -6.1441 -2.0480 -2.0480 -0.7192 -0.7192 -0.6076 -0.6076 0.8078 0.8078 1.0513 1.0513 1.3158 1.3158 2.1354 2.1354 2.3552 2.3552 2.4975 2.4975 2.7462 2.7462 2.9222 2.9222 3.2985 3.2985 3.5136 3.5136 3.8042 3.8042 3.9894 3.9894 4.1006 4.1006 4.1911 4.1911 4.5213 4.5213 4.7271 4.7271 5.0686 5.0686 5.3579 5.3579 5.5009 5.5009 5.8244 5.8244 6.1127 6.1127 9.0692 9.0692 9.2995 9.2995 9.9050 9.9050 10.7150 10.7150 10.7636 10.7636 k = 0.1667 0.2887-0.0000 ( 14473 PWs) bands (ev): -13.2359 -13.2359 -6.8445 -6.8445 -6.1219 -6.1219 -2.0481 -2.0481 -0.7188 -0.7188 -0.6059 -0.6059 0.7908 0.7908 1.0129 1.0129 1.2809 1.2809 2.1540 2.1540 2.3588 2.3588 2.4891 2.4891 2.7566 2.7566 2.9631 2.9631 3.3041 3.3041 3.5169 3.5169 3.8222 3.8222 3.9940 3.9940 4.1083 4.1083 4.1945 4.1945 4.5294 4.5294 4.7486 4.7486 5.0617 5.0617 5.3373 5.3373 5.4927 5.4927 5.8302 5.8302 6.1362 6.1362 9.0392 9.0392 9.3279 9.3279 9.9222 9.9222 10.6584 10.6584 10.7767 10.7767 k = 0.1569 0.2717-0.0000 ( 14463 PWs) bands (ev): -13.2362 -13.2362 -6.8600 -6.8600 -6.1004 -6.1004 -2.0480 -2.0480 -0.7177 -0.7177 -0.6039 -0.6039 0.7739 0.7739 0.9747 0.9747 1.2450 1.2450 2.1704 2.1704 2.3608 2.3608 2.4821 2.4821 2.7606 2.7606 3.0087 3.0087 3.3133 3.3133 3.5227 3.5227 3.8405 3.8405 3.9988 3.9988 4.1168 4.1168 4.2018 4.2018 4.5369 4.5369 4.7682 4.7682 5.0500 5.0500 5.3164 5.3164 5.4803 5.4803 5.8427 5.8427 6.1604 6.1604 9.0059 9.0059 9.3618 9.3618 9.9322 9.9322 10.5994 10.5994 10.7961 10.7961 k = 0.1471 0.2547-0.0000 ( 14451 PWs) bands (ev): -13.2364 -13.2364 -6.8747 -6.8747 -6.0796 -6.0796 -2.0478 -2.0478 -0.7159 -0.7159 -0.6015 -0.6015 0.7570 0.7570 0.9369 0.9369 1.2088 1.2088 2.1842 2.1842 2.3613 2.3613 2.4766 2.4766 2.7606 2.7606 3.0550 3.0550 3.3270 3.3270 3.5311 3.5311 3.8594 3.8594 4.0033 4.0033 4.1261 4.1261 4.2128 4.2128 4.5437 4.5437 4.7850 4.7850 5.0338 5.0338 5.2957 5.2957 5.4636 5.4636 5.8621 5.8621 6.1849 6.1849 8.9699 8.9699 9.4006 9.4006 9.9354 9.9354 10.5425 10.5425 10.8170 10.8170 k = 0.1373 0.2377-0.0000 ( 14465 PWs) bands (ev): -13.2366 -13.2366 -6.8886 -6.8886 -6.0597 -6.0597 -2.0473 -2.0473 -0.7134 -0.7134 -0.5989 -0.5989 0.7404 0.7404 0.8999 0.8999 1.1725 1.1725 2.1950 2.1950 2.3606 2.3606 2.4725 2.4725 2.7583 2.7583 3.0988 3.0988 3.3460 3.3460 3.5422 3.5422 3.8790 3.8790 4.0076 4.0076 4.1366 4.1366 4.2273 4.2273 4.5498 4.5498 4.7978 4.7978 5.0139 5.0139 5.2755 5.2755 5.4431 5.4431 5.8882 5.8882 6.2091 6.2091 8.9319 8.9319 9.4438 9.4438 9.9321 9.9321 10.4888 10.4888 10.8374 10.8374 k = 0.1275 0.2208-0.0000 ( 14475 PWs) bands (ev): -13.2368 -13.2368 -6.9017 -6.9017 -6.0407 -6.0407 -2.0467 -2.0467 -0.7103 -0.7103 -0.5960 -0.5960 0.7241 0.7241 0.8639 0.8639 1.1369 1.1369 2.2029 2.2029 2.3590 2.3590 2.4695 2.4695 2.7546 2.7546 3.1378 3.1378 3.3709 3.3709 3.5562 3.5562 3.8989 3.8989 4.0119 4.0119 4.1486 4.1486 4.2448 4.2448 4.5553 4.5553 4.8054 4.8054 4.9910 4.9910 5.2559 5.2559 5.4197 5.4197 5.9202 5.9202 6.2327 6.2327 8.8922 8.8922 9.4908 9.4908 9.9233 9.9233 10.4389 10.4389 10.8556 10.8556 k = 0.1176 0.2038-0.0000 ( 14475 PWs) bands (ev): -13.2371 -13.2371 -6.9139 -6.9139 -6.0228 -6.0228 -2.0460 -2.0460 -0.7067 -0.7067 -0.5928 -0.5928 0.7082 0.7082 0.8291 0.8291 1.1021 1.1021 2.2079 2.2079 2.3570 2.3570 2.4673 2.4673 2.7500 2.7500 3.1706 3.1706 3.4008 3.4008 3.5737 3.5737 3.9187 3.9187 4.0172 4.0172 4.1623 4.1623 4.2651 4.2651 4.5600 4.5600 4.8065 4.8065 4.9662 4.9662 5.2370 5.2370 5.3945 5.3945 5.9570 5.9570 6.2555 6.2555 8.8514 8.8514 9.5409 9.5409 9.9102 9.9102 10.3934 10.3934 10.8703 10.8703 k = 0.1078 0.1868-0.0000 ( 14475 PWs) bands (ev): -13.2373 -13.2373 -6.9253 -6.9253 -6.0059 -6.0059 -2.0452 -2.0452 -0.7027 -0.7027 -0.5895 -0.5895 0.6928 0.6928 0.7959 0.7959 1.0688 1.0688 2.2103 2.2103 2.3548 2.3548 2.4655 2.4655 2.7450 2.7450 3.1972 3.1972 3.4339 3.4339 3.5954 3.5954 3.9370 3.9370 4.0246 4.0246 4.1779 4.1779 4.2880 4.2880 4.5640 4.5640 4.8003 4.8003 4.9404 4.9404 5.2186 5.2186 5.3686 5.3686 5.9976 5.9976 6.2774 6.2774 8.8099 8.8099 9.5931 9.5931 9.8943 9.8943 10.3525 10.3525 10.8808 10.8808 k = 0.0980 0.1698-0.0000 ( 14475 PWs) bands (ev): -13.2375 -13.2375 -6.9357 -6.9357 -5.9903 -5.9903 -2.0442 -2.0442 -0.6983 -0.6983 -0.5860 -0.5860 0.6779 0.6779 0.7646 0.7646 1.0372 1.0372 2.2105 2.2105 2.3528 2.3528 2.4639 2.4639 2.7398 2.7398 3.2183 3.2183 3.4667 3.4667 3.6225 3.6225 3.9524 3.9524 4.0352 4.0352 4.1954 4.1954 4.3135 4.3135 4.5670 4.5670 4.7863 4.7863 4.9142 4.9142 5.1999 5.1999 5.3436 5.3436 6.0407 6.0407 6.2982 6.2982 8.7683 8.7683 9.6456 9.6456 9.8775 9.8775 10.3166 10.3166 10.8869 10.8869 k = 0.0882 0.1528-0.0000 ( 14483 PWs) bands (ev): -13.2377 -13.2377 -6.9452 -6.9452 -5.9758 -5.9758 -2.0432 -2.0432 -0.6937 -0.6937 -0.5825 -0.5825 0.6636 0.6636 0.7354 0.7354 1.0077 1.0077 2.2090 2.2090 2.3508 2.3508 2.4625 2.4625 2.7347 2.7347 3.2350 3.2350 3.4962 3.4962 3.6557 3.6557 3.9642 3.9642 4.0494 4.0494 4.2149 4.2149 4.3417 4.3417 4.5688 4.5688 4.7653 4.7653 4.8877 4.8877 5.1794 5.1794 5.3213 5.3213 6.0847 6.0847 6.3181 6.3181 8.7271 8.7271 9.6953 9.6953 9.8631 9.8631 10.2859 10.2859 10.8886 10.8886 k = 0.0784 0.1358-0.0000 ( 14469 PWs) bands (ev): -13.2378 -13.2378 -6.9537 -6.9537 -5.9628 -5.9628 -2.0422 -2.0422 -0.6891 -0.6891 -0.5789 -0.5789 0.6500 0.6500 0.7087 0.7087 0.9806 0.9806 2.2063 2.2063 2.3491 2.3491 2.4611 2.4611 2.7298 2.7298 3.2483 3.2483 3.5208 3.5208 3.6945 3.6945 3.9730 3.9730 4.0662 4.0662 4.2364 4.2364 4.3725 4.3725 4.5690 4.5690 4.7390 4.7390 4.8606 4.8606 5.1556 5.1556 5.3033 5.3033 6.1283 6.1283 6.3372 6.3372 8.6870 8.6870 9.7344 9.7344 9.8584 9.8584 10.2610 10.2610 10.8866 10.8866 k = 0.0686 0.1189-0.0000 ( 14463 PWs) bands (ev): -13.2380 -13.2380 -6.9613 -6.9613 -5.9511 -5.9511 -2.0412 -2.0412 -0.6845 -0.6845 -0.5754 -0.5754 0.6371 0.6371 0.6846 0.6846 0.9563 0.9563 2.2029 2.2029 2.3475 2.3475 2.4598 2.4598 2.7253 2.7253 3.2590 3.2590 3.5404 3.5404 3.7368 3.7368 3.9801 3.9801 4.0839 4.0839 4.2598 4.2598 4.4056 4.4056 4.5669 4.5669 4.7097 4.7097 4.8330 4.8330 5.1275 5.1275 5.2905 5.2905 6.1697 6.1697 6.3558 6.3558 8.6486 8.6486 9.7511 9.7511 9.8745 9.8745 10.2425 10.2425 10.8812 10.8812 k = 0.0588 0.1019-0.0000 ( 14451 PWs) bands (ev): -13.2381 -13.2381 -6.9679 -6.9679 -5.9408 -5.9408 -2.0403 -2.0403 -0.6802 -0.6802 -0.5721 -0.5721 0.6250 0.6250 0.6636 0.6636 0.9348 0.9348 2.1992 2.1992 2.3461 2.3461 2.4586 2.4586 2.7213 2.7213 3.2674 3.2674 3.5560 3.5560 3.7798 3.7798 3.9873 3.9873 4.1010 4.1010 4.2848 4.2848 4.4403 4.4403 4.5616 4.5616 4.6804 4.6804 4.8051 4.8051 5.0954 5.0954 5.2824 5.2824 6.2074 6.2074 6.3741 6.3741 8.6128 8.6128 9.7471 9.7471 9.9081 9.9081 10.2310 10.2310 10.8730 10.8730 k = 0.0490 0.0849-0.0000 ( 14445 PWs) bands (ev): -13.2383 -13.2383 -6.9735 -6.9735 -5.9320 -5.9320 -2.0394 -2.0394 -0.6762 -0.6762 -0.5691 -0.5691 0.6138 0.6138 0.6460 0.6460 0.9165 0.9165 2.1956 2.1956 2.3448 2.3448 2.4574 2.4574 2.7178 2.7178 3.2740 3.2740 3.5681 3.5681 3.8203 3.8203 3.9960 3.9960 4.1164 4.1164 4.3110 4.3110 4.4740 4.4740 4.5524 4.5524 4.6545 4.6545 4.7777 4.7777 5.0605 5.0605 5.2778 5.2778 6.2397 6.2397 6.3922 6.3922 8.5803 8.5803 9.7353 9.7353 9.9444 9.9444 10.2274 10.2274 10.8624 10.8624 k = 0.0392 0.0679-0.0000 ( 14457 PWs) bands (ev): -13.2384 -13.2384 -6.9781 -6.9781 -5.9248 -5.9248 -2.0386 -2.0386 -0.6727 -0.6727 -0.5664 -0.5664 0.6036 0.6036 0.6318 0.6318 0.9013 0.9013 2.1922 2.1922 2.3438 2.3438 2.4565 2.4565 2.7148 2.7148 3.2791 3.2791 3.5775 3.5775 3.8550 3.8550 4.0077 4.0077 4.1299 4.1299 4.3375 4.3375 4.4978 4.4978 4.5456 4.5456 4.6351 4.6351 4.7522 4.7522 5.0244 5.0244 5.2755 5.2755 6.2657 6.2657 6.4098 6.4098 8.5521 8.5521 9.7223 9.7223 9.9750 9.9750 10.2319 10.2319 10.8500 10.8500 k = 0.0294 0.0509-0.0000 ( 14461 PWs) bands (ev): -13.2385 -13.2385 -6.9817 -6.9817 -5.9191 -5.9191 -2.0380 -2.0380 -0.6699 -0.6699 -0.5642 -0.5642 0.5950 0.5950 0.6212 0.6212 0.8895 0.8895 2.1893 2.1893 2.3429 2.3429 2.4557 2.4557 2.7125 2.7125 3.2828 3.2828 3.5845 3.5845 3.8811 3.8811 4.0229 4.0229 4.1412 4.1412 4.3630 4.3630 4.4924 4.4924 4.5578 4.5578 4.6247 4.6247 4.7304 4.7304 4.9893 4.9893 5.2747 5.2747 6.2852 6.2852 6.4259 6.4259 8.5290 8.5290 9.7108 9.7108 9.9969 9.9969 10.2427 10.2427 10.8369 10.8369 k = 0.0196 0.0340-0.0000 ( 14461 PWs) bands (ev): -13.2385 -13.2385 -6.9843 -6.9843 -5.9151 -5.9151 -2.0376 -2.0376 -0.6678 -0.6678 -0.5626 -0.5626 0.5883 0.5883 0.6138 0.6138 0.8810 0.8810 2.1872 2.1872 2.3422 2.3422 2.4551 2.4551 2.7108 2.7108 3.2854 3.2854 3.5893 3.5893 3.8980 3.8980 4.0391 4.0391 4.1503 4.1503 4.3851 4.3851 4.4738 4.4738 4.5691 4.5691 4.6278 4.6278 4.7138 4.7138 4.9582 4.9582 5.2744 5.2744 6.2983 6.2983 6.4389 6.4389 8.5119 8.5119 9.7020 9.7020 10.0105 10.0105 10.2559 10.2559 10.8250 10.8250 k = 0.0098 0.0170-0.0000 ( 14465 PWs) bands (ev): -13.2386 -13.2386 -6.9858 -6.9858 -5.9126 -5.9126 -2.0373 -2.0373 -0.6665 -0.6665 -0.5616 -0.5616 0.5841 0.5841 0.6095 0.6095 0.8760 0.8760 2.1859 2.1859 2.3418 2.3418 2.4548 2.4548 2.7098 2.7098 3.2869 3.2869 3.5922 3.5922 3.9070 3.9070 4.0518 4.0518 4.1567 4.1567 4.4005 4.4005 4.4589 4.4589 4.5684 4.5684 4.6403 4.6403 4.7035 4.7035 4.9358 4.9358 5.2745 5.2745 6.3059 6.3059 6.4475 6.4475 8.5013 8.5013 9.6965 9.6965 10.0175 10.0175 10.2664 10.2664 10.8166 10.8166 k = 0.0000 0.0000 0.0000 ( 14453 PWs) bands (ev): -13.2386 -13.2386 -6.9864 -6.9864 -5.9118 -5.9118 -2.0372 -2.0372 -0.6661 -0.6661 -0.5612 -0.5612 0.5826 0.5826 0.6081 0.6081 0.8743 0.8743 2.1854 2.1854 2.3417 2.3417 2.4547 2.4547 2.7095 2.7095 3.2873 3.2873 3.5931 3.5931 3.9097 3.9097 4.0566 4.0566 4.1590 4.1590 4.4058 4.4058 4.4536 4.4536 4.5664 4.5664 4.6466 4.6466 4.7000 4.7000 4.9275 4.9275 5.2745 5.2745 6.3084 6.3084 6.4505 6.4505 8.4977 8.4977 9.6946 9.6946 10.0196 10.0196 10.2704 10.2704 10.8135 10.8135 k = 0.0000 0.0000 0.0000 ( 14453 PWs) bands (ev): -13.2386 -13.2386 -6.9864 -6.9864 -5.9118 -5.9118 -2.0372 -2.0372 -0.6661 -0.6661 -0.5612 -0.5612 0.5826 0.5826 0.6081 0.6081 0.8743 0.8743 2.1854 2.1854 2.3417 2.3417 2.4547 2.4547 2.7095 2.7095 3.2873 3.2873 3.5931 3.5931 3.9097 3.9097 4.0566 4.0566 4.1590 4.1590 4.4058 4.4058 4.4536 4.4536 4.5664 4.5664 4.6466 4.6466 4.7000 4.7000 4.9275 4.9275 5.2745 5.2745 6.3084 6.3084 6.4505 6.4505 8.4977 8.4977 9.6946 9.6946 10.0196 10.0196 10.2704 10.2704 10.8135 10.8135 k = 0.0000 0.0000 0.0195 ( 14470 PWs) bands (ev): -13.2385 -13.2385 -6.9860 -6.9860 -5.9122 -5.9122 -2.0373 -2.0373 -0.6662 -0.6662 -0.5618 -0.5618 0.5833 0.5833 0.6086 0.6086 0.8748 0.8748 2.1860 2.1860 2.3417 2.3417 2.4548 2.4548 2.7098 2.7098 3.2876 3.2876 3.5926 3.5926 3.9089 3.9089 4.0563 4.0563 4.1590 4.1590 4.4015 4.4015 4.4568 4.4568 4.5637 4.5637 4.6444 4.6444 4.7008 4.7008 4.9285 4.9285 5.2745 5.2745 6.3099 6.3099 6.4517 6.4517 8.4964 8.4964 9.7022 9.7022 10.0132 10.0132 10.2647 10.2647 10.8121 10.8121 k = 0.0000 0.0000 0.0389 ( 14476 PWs) bands (ev): -13.2385 -13.2385 -6.9851 -6.9851 -5.9132 -5.9132 -2.0377 -2.0377 -0.6667 -0.6667 -0.5634 -0.5634 0.5852 0.5852 0.6101 0.6101 0.8765 0.8765 2.1875 2.1875 2.3418 2.3418 2.4551 2.4551 2.7108 2.7108 3.2886 3.2886 3.5910 3.5910 3.9065 3.9065 4.0556 4.0556 4.1588 4.1588 4.3911 4.3911 4.4635 4.4635 4.5561 4.5561 4.6382 4.6382 4.7029 4.7029 4.9313 4.9313 5.2746 5.2746 6.3144 6.3144 6.4552 6.4552 8.4928 8.4928 9.7243 9.7243 9.9942 9.9942 10.2483 10.2483 10.8079 10.8079 k = 0.0000 0.0000 0.0584 ( 14470 PWs) bands (ev): -13.2384 -13.2384 -6.9835 -6.9835 -5.9150 -5.9150 -2.0383 -2.0383 -0.6674 -0.6674 -0.5660 -0.5660 0.5885 0.5885 0.6126 0.6126 0.8792 0.8792 2.1902 2.1902 2.3418 2.3418 2.4557 2.4557 2.7124 2.7124 3.2901 3.2901 3.5884 3.5884 3.9025 3.9025 4.0544 4.0544 4.1585 4.1585 4.3779 4.3779 4.4700 4.4700 4.5447 4.5447 4.6288 4.6288 4.7057 4.7057 4.9351 4.9351 5.2747 5.2747 6.3219 6.3219 6.4610 6.4610 8.4880 8.4880 9.7590 9.7590 9.9635 9.9635 10.2231 10.2231 10.8005 10.8005 k = 0.0000 0.0000 0.0779 ( 14470 PWs) bands (ev): -13.2383 -13.2383 -6.9812 -6.9812 -5.9175 -5.9175 -2.0392 -2.0392 -0.6684 -0.6684 -0.5697 -0.5697 0.5929 0.5929 0.6161 0.6161 0.8830 0.8830 2.1939 2.1939 2.3419 2.3419 2.4565 2.4565 2.7147 2.7147 3.2922 3.2922 3.5846 3.5846 3.8973 3.8973 4.0526 4.0526 4.1580 4.1580 4.3636 4.3636 4.4729 4.4729 4.5321 4.5321 4.6167 4.6167 4.7085 4.7085 4.9390 4.9390 5.2748 5.2748 6.3322 6.3322 6.4690 6.4690 8.4834 8.4834 9.8025 9.8025 9.9223 9.9223 10.1929 10.1929 10.7898 10.7898 k = 0.0000 0.0000 0.0973 ( 14464 PWs) bands (ev): -13.2381 -13.2381 -6.9784 -6.9784 -5.9207 -5.9207 -2.0402 -2.0402 -0.6696 -0.6696 -0.5743 -0.5743 0.5986 0.5986 0.6204 0.6204 0.8878 0.8878 2.1988 2.1988 2.3421 2.3421 2.4575 2.4575 2.7175 2.7175 3.2949 3.2949 3.5797 3.5797 3.8910 3.8910 4.0504 4.0504 4.1574 4.1574 4.3489 4.3489 4.4681 4.4681 4.5227 4.5227 4.6025 4.6025 4.7112 4.7112 4.9418 4.9418 5.2750 5.2750 6.3451 6.3451 6.4791 6.4791 8.4809 8.4809 9.8478 9.8478 9.8723 9.8723 10.1646 10.1646 10.7758 10.7758 k = 0.0000 0.0000 0.1168 ( 14452 PWs) bands (ev): -13.2379 -13.2379 -6.9749 -6.9749 -5.9246 -5.9246 -2.0415 -2.0415 -0.6711 -0.6711 -0.5798 -0.5798 0.6055 0.6055 0.6256 0.6256 0.8936 0.8936 2.2048 2.2048 2.3423 2.3423 2.4587 2.4587 2.7208 2.7208 3.2982 3.2982 3.5735 3.5735 3.8839 3.8839 4.0476 4.0476 4.1566 4.1566 4.3343 4.3343 4.4531 4.4531 4.5193 4.5193 4.5863 4.5863 4.7135 4.7135 4.9427 4.9427 5.2753 5.2753 6.3606 6.3606 6.4912 6.4912 8.4820 8.4820 9.8148 9.8148 9.8807 9.8807 10.1525 10.1525 10.7586 10.7586 k = 0.0000 0.0000 0.1362 ( 14452 PWs) bands (ev): -13.2377 -13.2377 -6.9709 -6.9709 -5.9290 -5.9290 -2.0430 -2.0430 -0.6728 -0.6728 -0.5862 -0.5862 0.6134 0.6134 0.6314 0.6314 0.9003 0.9003 2.2120 2.2120 2.3427 2.3427 2.4602 2.4602 2.7246 2.7246 3.3021 3.3021 3.5661 3.5661 3.8763 3.8763 4.0443 4.0443 4.1555 4.1555 4.3200 4.3200 4.4311 4.4311 4.5194 4.5194 4.5683 4.5683 4.7155 4.7155 4.9408 4.9408 5.2755 5.2755 6.3782 6.3782 6.5052 6.5052 8.4880 8.4880 9.7515 9.7515 9.8823 9.8823 10.1753 10.1753 10.7385 10.7385 k = 0.0000 0.0000 0.1557 ( 14440 PWs) bands (ev): -13.2374 -13.2374 -6.9664 -6.9664 -5.9341 -5.9341 -2.0447 -2.0447 -0.6747 -0.6747 -0.5932 -0.5932 0.6223 0.6223 0.6379 0.6379 0.9079 0.9079 2.2203 2.2203 2.3432 2.3432 2.4618 2.4618 2.7289 2.7289 3.3065 3.3065 3.5576 3.5576 3.8686 3.8686 4.0404 4.0404 4.1540 4.1540 4.3061 4.3061 4.4054 4.4054 4.5200 4.5200 4.5489 4.5489 4.7171 4.7171 4.9358 4.9358 5.2759 5.2759 6.3979 6.3979 6.5209 6.5209 8.5002 8.5002 9.6838 9.6838 9.8514 9.8514 10.2342 10.2342 10.7161 10.7161 k = 0.0000 0.0000 0.1752 ( 14452 PWs) bands (ev): -13.2372 -13.2372 -6.9613 -6.9613 -5.9398 -5.9398 -2.0466 -2.0466 -0.6767 -0.6767 -0.6009 -0.6009 0.6322 0.6322 0.6449 0.6449 0.9162 0.9162 2.2299 2.2299 2.3440 2.3440 2.4637 2.4637 2.7334 2.7334 3.3114 3.3114 3.5479 3.5479 3.8610 3.8610 4.0359 4.0359 4.1521 4.1521 4.2925 4.2925 4.3782 4.3782 4.5196 4.5196 4.5281 4.5281 4.7184 4.7184 4.9273 4.9273 5.2763 5.2763 6.4193 6.4193 6.5382 6.5382 8.5194 8.5194 9.6129 9.6129 9.8017 9.8017 10.3149 10.3149 10.6923 10.6923 k = 0.0000 0.0000 0.1946 ( 14488 PWs) bands (ev): -13.2369 -13.2369 -6.9557 -6.9557 -5.9459 -5.9459 -2.0487 -2.0487 -0.6790 -0.6790 -0.6092 -0.6092 0.6430 0.6430 0.6523 0.6523 0.9252 0.9252 2.2405 2.2405 2.3451 2.3451 2.4658 2.4658 2.7383 2.7383 3.3167 3.3167 3.5372 3.5372 3.8537 3.8537 4.0309 4.0309 4.1494 4.1494 4.2788 4.2788 4.3508 4.3508 4.5062 4.5062 4.5176 4.5176 4.7195 4.7195 4.9154 4.9154 5.2767 5.2767 6.4421 6.4421 6.5568 6.5568 8.5459 8.5459 9.5398 9.5398 9.7432 9.7432 10.4069 10.4069 10.6682 10.6682 k = 0.0000 0.0000 0.2141 ( 14500 PWs) bands (ev): -13.2366 -13.2366 -6.9498 -6.9498 -5.9525 -5.9525 -2.0508 -2.0508 -0.6813 -0.6813 -0.6179 -0.6179 0.6545 0.6545 0.6599 0.6599 0.9349 0.9349 2.2522 2.2522 2.3469 2.3469 2.4681 2.4681 2.7433 2.7433 3.3226 3.3226 3.5259 3.5259 3.8468 3.8468 4.0252 4.0252 4.1455 4.1455 4.2643 4.2643 4.3249 4.3249 4.4834 4.4834 4.5133 4.5133 4.7204 4.7204 4.9004 4.9004 5.2773 5.2773 6.4661 6.4661 6.5767 6.5767 8.5801 8.5801 9.4655 9.4655 9.6809 9.6809 10.5017 10.5017 10.6477 10.6477 k = 0.0000 0.0000 0.2336 ( 14500 PWs) bands (ev): -13.2362 -13.2362 -6.9434 -6.9434 -5.9596 -5.9596 -2.0531 -2.0531 -0.6837 -0.6837 -0.6270 -0.6270 0.6666 0.6666 0.6677 0.6677 0.9452 0.9452 2.2645 2.2645 2.3495 2.3495 2.4705 2.4705 2.7485 2.7485 3.3289 3.3289 3.5141 3.5141 3.8404 3.8404 4.0188 4.0188 4.1396 4.1396 4.2482 4.2482 4.3023 4.3023 4.4600 4.4600 4.5066 4.5066 4.7210 4.7210 4.8828 4.8828 5.2779 5.2779 6.4910 6.4910 6.5975 6.5975 8.6215 8.6215 9.3908 9.3908 9.6175 9.6175 10.5701 10.5701 10.6578 10.6578 k = 0.0000 0.0000 0.2530 ( 14512 PWs) bands (ev): -13.2359 -13.2359 -6.9367 -6.9367 -5.9670 -5.9670 -2.0555 -2.0555 -0.6862 -0.6862 -0.6363 -0.6363 0.6754 0.6754 0.6793 0.6793 0.9559 0.9559 2.2771 2.2771 2.3535 2.3535 2.4732 2.4732 2.7537 2.7537 3.3355 3.3355 3.5021 3.5021 3.8344 3.8344 4.0116 4.0116 4.1305 4.1305 4.2307 4.2307 4.2843 4.2843 4.4363 4.4363 4.4970 4.4970 4.7216 4.7216 4.8634 4.8634 5.2786 5.2786 6.5166 6.5166 6.6192 6.6192 8.6699 8.6699 9.3165 9.3165 9.5548 9.5548 10.5670 10.5670 10.6840 10.6840 k = 0.0000 0.0000 0.2725 ( 14506 PWs) bands (ev): -13.2355 -13.2355 -6.9297 -6.9297 -5.9747 -5.9747 -2.0580 -2.0580 -0.6888 -0.6888 -0.6457 -0.6457 0.6831 0.6831 0.6924 0.6924 0.9670 0.9670 2.2891 2.2891 2.3600 2.3600 2.4760 2.4760 2.7589 2.7589 3.3426 3.3426 3.4903 3.4903 3.8287 3.8287 4.0037 4.0037 4.1165 4.1165 4.2139 4.2139 4.2706 4.2706 4.4124 4.4124 4.4841 4.4841 4.7220 4.7220 4.8430 4.8430 5.2793 5.2793 6.5426 6.5426 6.6415 6.6415 8.7241 8.7241 9.2430 9.2430 9.4942 9.4942 10.5450 10.5450 10.6601 10.6601 k = 0.0000 0.0000 0.2919 ( 14518 PWs) bands (ev): -13.2352 -13.2352 -6.9225 -6.9225 -5.9826 -5.9826 -2.0605 -2.0605 -0.6913 -0.6913 -0.6552 -0.6552 0.6905 0.6905 0.7057 0.7057 0.9783 0.9783 2.2994 2.2994 2.3698 2.3698 2.4789 2.4789 2.7642 2.7642 3.3500 3.3500 3.4790 3.4790 3.8231 3.8231 3.9949 3.9949 4.0963 4.0963 4.2004 4.2004 4.2599 4.2599 4.3888 4.3888 4.4677 4.4677 4.7224 4.7224 4.8226 4.8226 5.2800 5.2800 6.5687 6.5687 6.6642 6.6642 8.7826 8.7826 9.1710 9.1710 9.4376 9.4376 10.5208 10.5208 10.6370 10.6370 k = 0.0000 0.0000 0.3114 ( 14506 PWs) bands (ev): -13.2348 -13.2348 -6.9151 -6.9151 -5.9907 -5.9907 -2.0631 -2.0631 -0.6939 -0.6939 -0.6646 -0.6646 0.6976 0.6976 0.7192 0.7192 0.9899 0.9899 2.3072 2.3072 2.3837 2.3837 2.4820 2.4820 2.7693 2.7693 3.3576 3.3576 3.4685 3.4685 3.8174 3.8174 3.9852 3.9852 4.0704 4.0704 4.1909 4.1909 4.2512 4.2512 4.3657 4.3657 4.4478 4.4478 4.7227 4.7227 4.8031 4.8031 5.2808 5.2808 6.5947 6.5947 6.6872 6.6872 8.8429 8.8429 9.1009 9.1009 9.3874 9.3874 10.4967 10.4967 10.6152 10.6152 k = 0.0000 0.0000 0.3309 ( 14518 PWs) bands (ev): -13.2344 -13.2344 -6.9076 -6.9076 -5.9988 -5.9988 -2.0656 -2.0656 -0.6964 -0.6964 -0.6739 -0.6739 0.7042 0.7042 0.7328 0.7328 1.0016 1.0016 2.3126 2.3126 2.4017 2.4017 2.4852 2.4852 2.7743 2.7743 3.3656 3.3656 3.4590 3.4590 3.8113 3.8113 3.9746 3.9746 4.0404 4.0404 4.1845 4.1845 4.2439 4.2439 4.3434 4.3434 4.4245 4.4245 4.7229 4.7229 4.7851 4.7851 5.2815 5.2815 6.6205 6.6205 6.7102 6.7102 8.9006 8.9006 9.0331 9.0331 9.3477 9.3477 10.4736 10.4736 10.5946 10.5946 k = 0.0000 0.0000 0.3503 ( 14530 PWs) bands (ev): -13.2341 -13.2341 -6.9002 -6.9002 -6.0070 -6.0070 -2.0681 -2.0681 -0.6988 -0.6988 -0.6829 -0.6829 0.7103 0.7103 0.7461 0.7461 1.0133 1.0133 2.3162 2.3162 2.4231 2.4231 2.4884 2.4884 2.7793 2.7793 3.3737 3.3737 3.4508 3.4508 3.8046 3.8046 3.9631 3.9631 4.0078 4.0078 4.1800 4.1800 4.2376 4.2376 4.3222 4.3222 4.3983 4.3983 4.7232 4.7232 4.7690 4.7690 5.2823 5.2823 6.6458 6.6458 6.7331 6.7331 8.9481 8.9481 8.9680 8.9680 9.3257 9.3257 10.4519 10.4519 10.5756 10.5756 k = 0.0000 0.0000 0.3698 ( 14482 PWs) bands (ev): -13.2337 -13.2337 -6.8928 -6.8928 -6.0151 -6.0151 -2.0706 -2.0706 -0.7011 -0.7011 -0.6916 -0.6916 0.7158 0.7158 0.7593 0.7593 1.0249 1.0249 2.3186 2.3186 2.4470 2.4470 2.4917 2.4917 2.7842 2.7842 3.3819 3.3819 3.4441 3.4441 3.7969 3.7969 3.9507 3.9507 3.9737 3.9737 4.1767 4.1767 4.2320 4.2320 4.3023 4.3023 4.3700 4.3700 4.7234 4.7234 4.7552 4.7552 5.2830 5.2830 6.6703 6.6703 6.7556 6.7556 8.9060 8.9060 8.9754 8.9754 9.3307 9.3307 10.4317 10.4317 10.5581 10.5581 k = 0.0000 0.0000 0.3893 ( 14494 PWs) bands (ev): -13.2334 -13.2334 -6.8855 -6.8855 -6.0230 -6.0230 -2.0730 -2.0730 -0.7034 -0.7034 -0.6999 -0.6999 0.7208 0.7208 0.7720 0.7720 1.0362 1.0362 2.3202 2.3202 2.4727 2.4727 2.4950 2.4950 2.7890 2.7890 3.3903 3.3903 3.4389 3.4389 3.7878 3.7878 3.9375 3.9375 3.9390 3.9390 4.1741 4.1741 4.2271 4.2271 4.2840 4.2840 4.3407 4.3407 4.7236 4.7236 4.7434 4.7434 5.2838 5.2838 6.6940 6.6940 6.7775 6.7775 8.8474 8.8474 8.9776 8.9776 9.3669 9.3669 10.4131 10.4131 10.5423 10.5423 k = 0.0000 0.0000 0.4087 ( 14500 PWs) bands (ev): -13.2331 -13.2331 -6.8785 -6.8785 -6.0306 -6.0306 -2.0753 -2.0753 -0.7077 -0.7077 -0.7055 -0.7055 0.7251 0.7251 0.7842 0.7842 1.0471 1.0471 2.3213 2.3213 2.4983 2.4983 2.4996 2.4996 2.7939 2.7939 3.3987 3.3987 3.4354 3.4354 3.7769 3.7769 3.9044 3.9044 3.9236 3.9236 4.1718 4.1718 4.2227 4.2227 4.2673 4.2673 4.3116 4.3116 4.7238 4.7238 4.7336 4.7336 5.2845 5.2845 6.7165 6.7165 6.7987 6.7987 8.7925 8.7925 8.9612 8.9612 9.4271 9.4271 10.3963 10.3963 10.5281 10.5281 k = 0.0000 0.0000 0.4282 ( 14500 PWs) bands (ev): -13.2328 -13.2328 -6.8718 -6.8718 -6.0379 -6.0379 -2.0774 -2.0774 -0.7150 -0.7150 -0.7075 -0.7075 0.7288 0.7288 0.7957 0.7957 1.0576 1.0576 2.3221 2.3221 2.5014 2.5014 2.5271 2.5271 2.7989 2.7989 3.4070 3.4070 3.4337 3.4337 3.7635 3.7635 3.8707 3.8707 3.9093 3.9093 4.1695 4.1695 4.2187 4.2187 4.2524 4.2524 4.2839 4.2839 4.7240 4.7240 4.7254 4.7254 5.2851 5.2851 6.7376 6.7376 6.8188 6.8188 8.7415 8.7415 8.9353 8.9353 9.5011 9.5011 10.3812 10.3812 10.5155 10.5155 k = 0.0000 0.0000 0.4477 ( 14452 PWs) bands (ev): -13.2325 -13.2325 -6.8655 -6.8655 -6.0447 -6.0447 -2.0794 -2.0794 -0.7217 -0.7217 -0.7093 -0.7093 0.7320 0.7320 0.8064 0.8064 1.0674 1.0674 2.3226 2.3226 2.5044 2.5044 2.5545 2.5545 2.8042 2.8042 3.4152 3.4152 3.4339 3.4339 3.7467 3.7467 3.8392 3.8392 3.8949 3.8949 4.1671 4.1671 4.2149 4.2149 4.2393 4.2393 4.2588 4.2588 4.7186 4.7186 4.7242 4.7242 5.2857 5.2857 6.7573 6.7573 6.8377 6.8377 8.6950 8.6950 8.9061 8.9061 9.5816 9.5816 10.3678 10.3678 10.5046 10.5046 k = 0.0000 0.0000 0.4671 ( 14500 PWs) bands (ev): -13.2322 -13.2322 -6.8596 -6.8596 -6.0510 -6.0510 -2.0812 -2.0812 -0.7277 -0.7277 -0.7109 -0.7109 0.7346 0.7346 0.8161 0.8161 1.0765 1.0765 2.3230 2.3230 2.5073 2.5073 2.5811 2.5811 2.8098 2.8098 3.4230 3.4230 3.4361 3.4361 3.7252 3.7252 3.8116 3.8116 3.8807 3.8807 4.1641 4.1641 4.2111 4.2111 4.2279 4.2279 4.2377 4.2377 4.7131 4.7131 4.7244 4.7244 5.2863 5.2863 6.7751 6.7751 6.8551 6.8551 8.6530 8.6530 8.8771 8.8771 9.6638 9.6638 10.3560 10.3560 10.4951 10.4951 k = 0.0000 0.0000 0.4866 ( 14518 PWs) bands (ev): -13.2320 -13.2320 -6.8544 -6.8544 -6.0566 -6.0566 -2.0828 -2.0828 -0.7330 -0.7330 -0.7123 -0.7123 0.7368 0.7368 0.8248 0.8248 1.0847 1.0847 2.3233 2.3233 2.5099 2.5099 2.6059 2.6059 2.8159 2.8159 3.4304 3.4304 3.4404 3.4404 3.6989 3.6989 3.7890 3.7890 3.8671 3.8671 4.1602 4.1602 4.2062 4.2062 4.2183 4.2183 4.2223 4.2223 4.7087 4.7087 4.7246 4.7246 5.2868 5.2868 6.7911 6.7911 6.8707 6.8707 8.6159 8.6159 8.8500 8.8500 9.7442 9.7442 10.3458 10.3458 10.4872 10.4872 k = 0.0000 0.0000 0.5060 ( 14518 PWs) bands (ev): -13.2318 -13.2318 -6.8498 -6.8498 -6.0616 -6.0616 -2.0842 -2.0842 -0.7375 -0.7375 -0.7136 -0.7136 0.7385 0.7385 0.8324 0.8324 1.0918 1.0918 2.3235 2.3235 2.5121 2.5121 2.6282 2.6282 2.8225 2.8225 3.4372 3.4372 3.4470 3.4470 3.6687 3.6687 3.7711 3.7711 3.8546 3.8546 4.1552 4.1552 4.1992 4.1992 4.2103 4.2103 4.2142 4.2142 4.7051 4.7051 4.7247 4.7247 5.2872 5.2872 6.8049 6.8049 6.8845 6.8845 8.5839 8.5839 8.8259 8.8259 9.8199 9.8199 10.3371 10.3371 10.4806 10.4806 k = 0.0000 0.0000 0.5255 ( 14500 PWs) bands (ev): -13.2317 -13.2317 -6.8459 -6.8459 -6.0657 -6.0657 -2.0854 -2.0854 -0.7413 -0.7413 -0.7146 -0.7146 0.7398 0.7398 0.8387 0.8387 1.0978 1.0978 2.3236 2.3236 2.5141 2.5141 2.6471 2.6471 2.8293 2.8293 3.4432 3.4432 3.4560 3.4560 3.6368 3.6368 3.7571 3.7571 3.8435 3.8435 4.1492 4.1492 4.1925 4.1925 4.2040 4.2040 4.2106 4.2106 4.7023 4.7023 4.7249 4.7249 5.2875 5.2875 6.8165 6.8165 6.8961 6.8961 8.5574 8.5574 8.8056 8.8056 9.8881 9.8881 10.3299 10.3299 10.4754 10.4754 k = 0.0000 0.0000 0.5450 ( 14500 PWs) bands (ev): -13.2315 -13.2315 -6.8429 -6.8429 -6.0690 -6.0690 -2.0863 -2.0863 -0.7442 -0.7442 -0.7154 -0.7154 0.7407 0.7407 0.8437 0.8437 1.1026 1.1026 2.3237 2.3237 2.5157 2.5157 2.6620 2.6620 2.8359 2.8359 3.4482 3.4482 3.4677 3.4677 3.6050 3.6050 3.7464 3.7464 3.8344 3.8344 4.1434 4.1434 4.1880 4.1880 4.1991 4.1991 4.2086 4.2086 4.7002 4.7002 4.7250 4.7250 5.2878 5.2878 6.8257 6.8257 6.9053 6.9053 8.5365 8.5365 8.7893 8.7893 9.9456 9.9456 10.3240 10.3240 10.4714 10.4714 k = 0.0000 0.0000 0.5644 ( 14488 PWs) bands (ev): -13.2314 -13.2314 -6.8406 -6.8406 -6.0714 -6.0714 -2.0870 -2.0870 -0.7464 -0.7464 -0.7160 -0.7160 0.7414 0.7414 0.8473 0.8473 1.1061 1.1061 2.3238 2.3238 2.5168 2.5168 2.6728 2.6728 2.8416 2.8416 3.4519 3.4519 3.4824 3.4824 3.5747 3.5747 3.7388 3.7388 3.8275 3.8275 4.1386 4.1386 4.1854 4.1854 4.1957 4.1957 4.2073 4.2073 4.6988 4.6988 4.7251 4.7251 5.2880 5.2880 6.8323 6.8323 6.9121 6.9121 8.5215 8.5215 8.7776 8.7776 9.9896 9.9896 10.3196 10.3196 10.4686 10.4686 k = 0.0000 0.0000 0.5839 ( 14506 PWs) bands (ev): -13.2314 -13.2314 -6.8393 -6.8393 -6.0729 -6.0729 -2.0874 -2.0874 -0.7477 -0.7477 -0.7163 -0.7163 0.7418 0.7418 0.8495 0.8495 1.1082 1.1082 2.3238 2.3238 2.5175 2.5175 2.6791 2.6791 2.8455 2.8455 3.4542 3.4542 3.5002 3.5002 3.5469 3.5469 3.7341 3.7341 3.8233 3.8233 4.1355 4.1355 4.1840 4.1840 4.1936 4.1936 4.2066 4.2066 4.6979 4.6979 4.7251 4.7251 5.2881 5.2881 6.8363 6.8363 6.9162 6.9162 8.5124 8.5124 8.7704 8.7704 10.0174 10.0174 10.3168 10.3168 10.4669 10.4669 k = 0.0000 0.0000 0.6034 ( 14512 PWs) bands (ev): -13.2314 -13.2314 -6.8388 -6.8388 -6.0734 -6.0734 -2.0875 -2.0875 -0.7481 -0.7481 -0.7164 -0.7164 0.7419 0.7419 0.8502 0.8502 1.1089 1.1089 2.3238 2.3238 2.5177 2.5177 2.6813 2.6813 2.8469 2.8469 3.4550 3.4550 3.5184 3.5184 3.5254 3.5254 3.7326 3.7326 3.8218 3.8218 4.1345 4.1345 4.1836 4.1836 4.1929 4.1929 4.2064 4.2064 4.6976 4.6976 4.7251 4.7251 5.2882 5.2882 6.8376 6.8376 6.9175 6.9175 8.5093 8.5093 8.7680 8.7680 10.0269 10.0269 10.3158 10.3158 10.4664 10.4664 k = 0.0000 0.0000 0.6034 ( 14512 PWs) bands (ev): -13.2314 -13.2314 -6.8388 -6.8388 -6.0734 -6.0734 -2.0875 -2.0875 -0.7481 -0.7481 -0.7164 -0.7164 0.7419 0.7419 0.8502 0.8502 1.1089 1.1089 2.3238 2.3238 2.5177 2.5177 2.6813 2.6813 2.8469 2.8469 3.4550 3.4550 3.5184 3.5184 3.5254 3.5254 3.7326 3.7326 3.8218 3.8218 4.1345 4.1345 4.1836 4.1836 4.1929 4.1929 4.2064 4.2064 4.6976 4.6976 4.7251 4.7251 5.2882 5.2882 6.8376 6.8376 6.9175 6.9175 8.5093 8.5093 8.7680 8.7680 10.0269 10.0269 10.3158 10.3158 10.4664 10.4664 k = 0.0172 0.0100 0.6034 ( 14512 PWs) bands (ev): -13.2314 -13.2314 -6.8383 -6.8383 -6.0740 -6.0740 -2.0874 -2.0874 -0.7479 -0.7479 -0.7161 -0.7161 0.7425 0.7425 0.8501 0.8501 1.1091 1.1091 2.3235 2.3235 2.5177 2.5177 2.6798 2.6798 2.8468 2.8468 3.4502 3.4502 3.5162 3.5162 3.5257 3.5257 3.7345 3.7345 3.8226 3.8226 4.1351 4.1351 4.1862 4.1862 4.1935 4.1935 4.2097 4.2097 4.6981 4.6981 4.7251 4.7251 5.2868 5.2868 6.8331 6.8331 6.9135 6.9135 8.5155 8.5155 8.7735 8.7735 10.0254 10.0254 10.3164 10.3164 10.4655 10.4655 k = 0.0345 0.0199 0.6034 ( 14512 PWs) bands (ev): -13.2313 -13.2313 -6.8369 -6.8369 -6.0758 -6.0758 -2.0871 -2.0871 -0.7475 -0.7475 -0.7150 -0.7150 0.7442 0.7442 0.8499 0.8499 1.1098 1.1098 2.3226 2.3226 2.5178 2.5178 2.6754 2.6754 2.8466 2.8466 3.4366 3.4366 3.5106 3.5106 3.5258 3.5258 3.7387 3.7387 3.8257 3.8257 4.1368 4.1368 4.1917 4.1917 4.1961 4.1961 4.2205 4.2205 4.6994 4.6994 4.7252 4.7252 5.2825 5.2825 6.8196 6.8196 6.9016 6.9016 8.5338 8.5338 8.7898 8.7898 10.0207 10.0207 10.3185 10.3185 10.4630 10.4630 k = 0.0517 0.0299 0.6034 ( 14518 PWs) bands (ev): -13.2313 -13.2313 -6.8345 -6.8345 -6.0789 -6.0789 -2.0867 -2.0867 -0.7469 -0.7469 -0.7133 -0.7133 0.7470 0.7470 0.8496 0.8496 1.1109 1.1109 2.3209 2.3209 2.5178 2.5178 2.6683 2.6683 2.8462 2.8462 3.4156 3.4156 3.5032 3.5032 3.5246 3.5246 3.7418 3.7418 3.8334 3.8334 4.1395 4.1395 4.1933 4.1933 4.2058 4.2058 4.2395 4.2395 4.7017 4.7017 4.7255 4.7255 5.2754 5.2754 6.7977 6.7977 6.8827 6.8827 8.5631 8.5631 8.8161 8.8161 10.0124 10.0124 10.3226 10.3226 10.4602 10.4602 k = 0.0690 0.0398 0.6034 ( 14510 PWs) bands (ev): -13.2312 -13.2312 -6.8311 -6.8311 -6.0831 -6.0831 -2.0861 -2.0861 -0.7462 -0.7462 -0.7108 -0.7108 0.7509 0.7509 0.8492 0.8492 1.1126 1.1126 2.3185 2.3185 2.5178 2.5178 2.6589 2.6589 2.8458 2.8458 3.3889 3.3889 3.4954 3.4954 3.5216 3.5216 3.7411 3.7411 3.8465 3.8465 4.1429 4.1429 4.1937 4.1937 4.2193 4.2193 4.2660 4.2660 4.7049 4.7049 4.7263 4.7263 5.2656 5.2656 6.7684 6.7684 6.8578 6.8578 8.6018 8.6018 8.8517 8.8517 10.0001 10.0001 10.3293 10.3293 10.4586 10.4586 k = 0.0862 0.0498 0.6034 ( 14518 PWs) bands (ev): -13.2311 -13.2311 -6.8268 -6.8268 -6.0885 -6.0885 -2.0853 -2.0853 -0.7454 -0.7454 -0.7076 -0.7076 0.7559 0.7559 0.8488 0.8488 1.1151 1.1151 2.3152 2.3152 2.5178 2.5178 2.6474 2.6474 2.8453 2.8453 3.3581 3.3581 3.4878 3.4878 3.5166 3.5166 3.7368 3.7368 3.8640 3.8640 4.1470 4.1470 4.1941 4.1941 4.2350 4.2350 4.2983 4.2983 4.7090 4.7090 4.7281 4.7281 5.2533 5.2533 6.7327 6.7327 6.8283 6.8283 8.6479 8.6479 8.8954 8.8954 9.9842 9.9842 10.3382 10.3382 10.4606 10.4606 k = 0.1034 0.0597 0.6034 ( 14502 PWs) bands (ev): -13.2311 -13.2311 -6.8216 -6.8216 -6.0950 -6.0950 -2.0845 -2.0845 -0.7446 -0.7446 -0.7038 -0.7038 0.7620 0.7620 0.8486 0.8486 1.1183 1.1183 2.3109 2.3109 2.5178 2.5178 2.6344 2.6344 2.8447 2.8447 3.3241 3.3241 3.4807 3.4807 3.5098 3.5098 3.7302 3.7302 3.8838 3.8838 4.1517 4.1517 4.1947 4.1947 4.2521 4.2521 4.3348 4.3348 4.7138 4.7138 4.7316 4.7316 5.2385 5.2385 6.6920 6.6920 6.7955 6.7955 8.6989 8.6989 8.9464 8.9464 9.9658 9.9658 10.3475 10.3475 10.4694 10.4694 k = 0.1207 0.0697 0.6034 ( 14504 PWs) bands (ev): -13.2309 -13.2309 -6.8154 -6.8154 -6.1026 -6.1026 -2.0835 -2.0835 -0.7438 -0.7438 -0.6995 -0.6995 0.7691 0.7691 0.8487 0.8487 1.1225 1.1225 2.3055 2.3055 2.5177 2.5177 2.6205 2.6205 2.8441 2.8441 3.2879 3.2879 3.4740 3.4740 3.5016 3.5016 3.7223 3.7223 3.9040 3.9040 4.1565 4.1565 4.1958 4.1958 4.2700 4.2700 4.3740 4.3740 4.7192 4.7192 4.7378 4.7378 5.2215 5.2215 6.6474 6.6474 6.7603 6.7603 8.7520 8.7520 9.0038 9.0038 9.9468 9.9468 10.3549 10.3549 10.4881 10.4881 k = 0.1379 0.0796 0.6034 ( 14516 PWs) bands (ev): -13.2308 -13.2308 -6.8085 -6.8085 -6.1112 -6.1112 -2.0825 -2.0825 -0.7431 -0.7431 -0.6947 -0.6947 0.7769 0.7769 0.8494 0.8494 1.1277 1.1277 2.2986 2.2986 2.5175 2.5175 2.6062 2.6062 2.8435 2.8435 3.2498 3.2498 3.4674 3.4674 3.4932 3.4932 3.7140 3.7140 3.9234 3.9234 4.1612 4.1612 4.1976 4.1976 4.2880 4.2880 4.4139 4.4139 4.7256 4.7256 4.7474 4.7474 5.2027 5.2027 6.6002 6.6002 6.7239 6.7239 8.8045 8.8045 9.0669 9.0669 9.9294 9.9294 10.3596 10.3596 10.5176 10.5176 k = 0.1552 0.0896 0.6034 ( 14526 PWs) bands (ev): -13.2307 -13.2307 -6.8006 -6.8006 -6.1208 -6.1208 -2.0815 -2.0815 -0.7426 -0.7426 -0.6897 -0.6897 0.7852 0.7852 0.8513 0.8513 1.1341 1.1341 2.2903 2.2903 2.5170 2.5170 2.5921 2.5921 2.8427 2.8427 3.2103 3.2103 3.4599 3.4599 3.4857 3.4857 3.7055 3.7055 3.9414 3.9414 4.1653 4.1653 4.2005 4.2005 4.3052 4.3052 4.4528 4.4528 4.7336 4.7336 4.7608 4.7608 5.1824 5.1824 6.5515 6.5515 6.6870 6.6870 8.8536 8.8536 9.1353 9.1353 9.9157 9.9157 10.3628 10.3628 10.5567 10.5567 k = 0.1724 0.0995 0.6034 ( 14516 PWs) bands (ev): -13.2306 -13.2306 -6.7920 -6.7920 -6.1313 -6.1313 -2.0805 -2.0805 -0.7421 -0.7421 -0.6845 -0.6845 0.7936 0.7936 0.8549 0.8549 1.1416 1.1416 2.2802 2.2802 2.5162 2.5162 2.5790 2.5790 2.8419 2.8419 3.1697 3.1697 3.4508 3.4508 3.4805 3.4805 3.6970 3.6970 3.9577 3.9577 4.1683 4.1683 4.2046 4.2046 4.3212 4.3212 4.4884 4.4884 4.7441 4.7441 4.7786 4.7786 5.1612 5.1612 6.5023 6.5023 6.6503 6.6503 8.8972 8.8972 9.2080 9.2080 9.9077 9.9077 10.3664 10.3664 10.6029 10.6029 k = 0.1897 0.1095 0.6034 ( 14520 PWs) bands (ev): -13.2304 -13.2304 -6.7826 -6.7826 -6.1427 -6.1427 -2.0795 -2.0795 -0.7418 -0.7418 -0.6794 -0.6794 0.8015 0.8015 0.8611 0.8611 1.1502 1.1502 2.2682 2.2682 2.5148 2.5148 2.5674 2.5674 2.8408 2.8408 3.1282 3.1282 3.4402 3.4402 3.4779 3.4779 3.6886 3.6886 3.9720 3.9720 4.1701 4.1701 4.2097 4.2097 4.3354 4.3354 4.5189 4.5189 4.7571 4.7571 4.8016 4.8016 5.1397 5.1397 6.4535 6.4535 6.6141 6.6141 8.9343 8.9343 9.2835 9.2835 9.9065 9.9065 10.3722 10.3722 10.6529 10.6529 k = 0.2069 0.1195 0.6034 ( 14524 PWs) bands (ev): -13.2303 -13.2303 -6.7724 -6.7724 -6.1548 -6.1548 -2.0786 -2.0786 -0.7416 -0.7416 -0.6744 -0.6744 0.8082 0.8082 0.8706 0.8706 1.1600 1.1600 2.2542 2.2542 2.5124 2.5124 2.5580 2.5580 2.8394 2.8394 3.0862 3.0862 3.4290 3.4290 3.4773 3.4773 3.6802 3.6802 3.9845 3.9845 4.1710 4.1710 4.2151 4.2151 4.3475 4.3475 4.5431 4.5431 4.7720 4.7720 4.8302 4.8302 5.1190 5.1190 6.4057 6.4057 6.5790 6.5790 8.9647 8.9647 9.3601 9.3601 9.9123 9.9123 10.3824 10.3824 10.7019 10.7019 k = 0.2241 0.1294 0.6034 ( 14504 PWs) bands (ev): -13.2301 -13.2301 -6.7616 -6.7616 -6.1676 -6.1676 -2.0777 -2.0777 -0.7415 -0.7415 -0.6698 -0.6698 0.8136 0.8136 0.8836 0.8836 1.1708 1.1708 2.2382 2.2382 2.5088 2.5088 2.5512 2.5512 2.8375 2.8375 3.0439 3.0439 3.4179 3.4179 3.4782 3.4782 3.6718 3.6718 3.9954 3.9954 4.1711 4.1711 4.2203 4.2203 4.3572 4.3572 4.5609 4.5609 4.7875 4.7875 4.8638 4.8638 5.1004 5.1004 6.3595 6.3595 6.5451 6.5451 8.9893 8.9893 9.4353 9.4353 9.9245 9.9245 10.3989 10.3989 10.7422 10.7422 k = 0.2414 0.1394 0.6034 ( 14492 PWs) bands (ev): -13.2299 -13.2299 -6.7502 -6.7502 -6.1811 -6.1811 -2.0769 -2.0769 -0.7416 -0.7416 -0.6655 -0.6655 0.8180 0.8180 0.9001 0.9001 1.1828 1.1828 2.2202 2.2202 2.5042 2.5042 2.5468 2.5468 2.8348 2.8348 3.0019 3.0019 3.4075 3.4075 3.4805 3.4805 3.6635 3.6635 4.0048 4.0048 4.1706 4.1706 4.2250 4.2250 4.3643 4.3643 4.5731 4.5731 4.8023 4.8023 4.9001 4.9001 5.0865 5.0865 6.3154 6.3154 6.5126 6.5126 9.0094 9.0094 9.5064 9.5064 9.9417 9.9417 10.4238 10.4238 10.7642 10.7642 k = 0.2586 0.1493 0.6034 ( 14510 PWs) bands (ev): -13.2298 -13.2298 -6.7382 -6.7382 -6.1950 -6.1950 -2.0763 -2.0763 -0.7419 -0.7419 -0.6617 -0.6617 0.8218 0.8218 0.9195 0.9195 1.1956 1.1956 2.2004 2.2004 2.4991 2.4991 2.5444 2.5444 2.8304 2.8304 2.9611 2.9611 3.3980 3.3980 3.4837 3.4837 3.6553 3.6553 4.0130 4.0130 4.1697 4.1697 4.2289 4.2289 4.3691 4.3691 4.5809 4.5809 4.8147 4.8147 4.9352 4.9352 5.0812 5.0812 6.2735 6.2735 6.4817 6.4817 9.0268 9.0268 9.5710 9.5710 9.9621 9.9621 10.4589 10.4589 10.7646 10.7646 k = 0.2759 0.1593 0.6034 ( 14514 PWs) bands (ev): -13.2296 -13.2296 -6.7257 -6.7257 -6.2094 -6.2094 -2.0757 -2.0757 -0.7423 -0.7423 -0.6584 -0.6584 0.8254 0.8254 0.9414 0.9414 1.2093 1.2093 2.1791 2.1791 2.4939 2.4939 2.5433 2.5433 2.8229 2.8229 2.9233 2.9233 3.3899 3.3899 3.4877 3.4877 3.6471 3.6471 4.0202 4.0202 4.1684 4.1684 4.2319 4.2319 4.3716 4.3716 4.5849 4.5849 4.8228 4.8228 4.9641 4.9641 5.0898 5.0898 6.2341 6.2341 6.4524 6.4524 9.0432 9.0432 9.6267 9.6267 9.9836 9.9836 10.5050 10.5050 10.7509 10.7509 k = 0.2931 0.1692 0.6034 ( 14510 PWs) bands (ev): -13.2294 -13.2294 -6.7128 -6.7128 -6.2242 -6.2242 -2.0753 -2.0753 -0.7429 -0.7429 -0.6557 -0.6557 0.8289 0.8289 0.9654 0.9654 1.2237 1.2237 2.1563 2.1563 2.4890 2.4890 2.5430 2.5430 2.8090 2.8090 2.8921 2.8921 3.3832 3.3832 3.4921 3.4921 3.6392 3.6392 4.0265 4.0265 4.1666 4.1666 4.2343 4.2343 4.3721 4.3721 4.5856 4.5856 4.8252 4.8252 4.9849 4.9849 5.1145 5.1145 6.1971 6.1971 6.4248 6.4248 9.0600 9.0600 9.6722 9.6722 10.0040 10.0040 10.5600 10.5600 10.7358 10.7358 k = 0.3103 0.1792 0.6034 ( 14506 PWs) bands (ev): -13.2293 -13.2293 -6.6996 -6.6996 -6.2392 -6.2392 -2.0750 -2.0750 -0.7436 -0.7436 -0.6534 -0.6534 0.8325 0.8325 0.9913 0.9913 1.2388 1.2388 2.1326 2.1326 2.4845 2.4845 2.5431 2.5431 2.7852 2.7852 2.8714 2.8714 3.3781 3.3781 3.4967 3.4967 3.6317 3.6317 4.0319 4.0319 4.1645 4.1645 4.2361 4.2361 4.3710 4.3710 4.5835 4.5835 4.8218 4.8218 5.0014 5.0014 5.1509 5.1509 6.1624 6.1624 6.3989 6.3989 9.0783 9.0783 9.7072 9.7072 10.0214 10.0214 10.6129 10.6129 10.7373 10.7373 k = 0.3276 0.1891 0.6034 ( 14508 PWs) bands (ev): -13.2291 -13.2291 -6.6862 -6.6862 -6.2543 -6.2543 -2.0748 -2.0748 -0.7445 -0.7445 -0.6516 -0.6516 0.8361 0.8361 1.0185 1.0185 1.2544 1.2544 2.1080 2.1080 2.4803 2.4803 2.5435 2.5435 2.7533 2.7533 2.8599 2.8599 3.3746 3.3746 3.5010 3.5010 3.6247 3.6247 4.0367 4.0367 4.1621 4.1621 4.2373 4.2373 4.3688 4.3688 4.5786 4.5786 4.8140 4.8140 5.0176 5.0176 5.1928 5.1928 6.1299 6.1299 6.3748 6.3748 9.0986 9.0986 9.7325 9.7325 10.0341 10.0341 10.6397 10.6397 10.7822 10.7822 k = 0.3448 0.1991 0.6034 ( 14500 PWs) bands (ev): -13.2290 -13.2290 -6.6727 -6.6727 -6.2694 -6.2694 -2.0747 -2.0747 -0.7455 -0.7455 -0.6502 -0.6502 0.8396 0.8396 1.0465 1.0465 1.2704 1.2704 2.0829 2.0829 2.4764 2.4764 2.5439 2.5439 2.7182 2.7182 2.8533 2.8533 3.3728 3.3728 3.5046 3.5046 3.6187 3.6187 4.0408 4.0408 4.1594 4.1594 4.2381 4.2381 4.3661 4.3661 4.5711 4.5711 4.8035 4.8035 5.0347 5.0347 5.2365 5.2365 6.0994 6.0994 6.3526 6.3526 9.1212 9.1212 9.7497 9.7497 10.0407 10.0407 10.6467 10.6467 10.8647 10.8647 k = 0.3621 0.2090 0.6034 ( 14496 PWs) bands (ev): -13.2289 -13.2289 -6.6592 -6.6592 -6.2842 -6.2842 -2.0746 -2.0746 -0.7466 -0.7466 -0.6492 -0.6492 0.8432 0.8432 1.0747 1.0747 1.2866 1.2866 2.0576 2.0576 2.4726 2.4726 2.5442 2.5442 2.6832 2.6832 2.8490 2.8490 3.3726 3.3726 3.5070 3.5070 3.6140 3.6140 4.0444 4.0444 4.1566 4.1566 4.2383 4.2383 4.3634 4.3634 4.5612 4.5612 4.7923 4.7923 5.0522 5.0522 5.2802 5.2802 6.0707 6.0707 6.3323 6.3323 9.1458 9.1458 9.7605 9.7605 10.0410 10.0410 10.6535 10.6535 10.9635 10.9635 k = 0.3793 0.2190 0.6034 ( 14500 PWs) bands (ev): -13.2287 -13.2287 -6.6460 -6.6460 -6.2987 -6.2987 -2.0746 -2.0746 -0.7477 -0.7477 -0.6485 -0.6485 0.8465 0.8465 1.1024 1.1024 1.3030 1.3030 2.0326 2.0326 2.4686 2.4686 2.5443 2.5443 2.6504 2.6504 2.8459 2.8459 3.3739 3.3739 3.5077 3.5077 3.6108 3.6108 4.0474 4.0474 4.1539 4.1539 4.2378 4.2378 4.3615 4.3615 4.5494 4.5494 4.7813 4.7813 5.0695 5.0695 5.3225 5.3225 6.0437 6.0437 6.3140 6.3140 9.1719 9.1719 9.7666 9.7666 10.0354 10.0354 10.6658 10.6658 11.0701 11.0701 k = 0.3966 0.2289 0.6034 ( 14500 PWs) bands (ev): -13.2286 -13.2286 -6.6333 -6.6333 -6.3125 -6.3125 -2.0747 -2.0747 -0.7488 -0.7488 -0.6480 -0.6480 0.8496 0.8496 1.1288 1.1288 1.3192 1.3192 2.0083 2.0083 2.4642 2.4642 2.5439 2.5439 2.6212 2.6212 2.8434 2.8434 3.3764 3.3764 3.5065 3.5065 3.6093 3.6093 4.0498 4.0498 4.1515 4.1515 4.2365 4.2365 4.3609 4.3609 4.5360 4.5360 4.7714 4.7714 5.0858 5.0858 5.3625 5.3625 6.0184 6.0184 6.2978 6.2978 9.1986 9.1986 9.7695 9.7695 10.0255 10.0255 10.6836 10.6836 11.1800 11.1800 k = 0.4138 0.2389 0.6034 ( 14500 PWs) bands (ev): -13.2285 -13.2285 -6.6214 -6.6214 -6.3254 -6.3254 -2.0748 -2.0748 -0.7499 -0.7499 -0.6477 -0.6477 0.8524 0.8524 1.1528 1.1528 1.3351 1.3351 1.9853 1.9853 2.4593 2.4593 2.5427 2.5427 2.5971 2.5971 2.8414 2.8414 3.3799 3.3799 3.5036 3.5036 3.6093 3.6093 4.0518 4.0518 4.1495 4.1495 4.2341 4.2341 4.3620 4.3620 4.5219 4.5219 4.7629 4.7629 5.1006 5.1006 5.3994 5.3994 5.9950 5.9950 6.2839 6.2839 9.2247 9.2247 9.7703 9.7703 10.0132 10.0132 10.7051 10.7051 11.2897 11.2897 k = 0.4310 0.2489 0.6034 ( 14496 PWs) bands (ev): -13.2285 -13.2285 -6.6106 -6.6106 -6.3370 -6.3370 -2.0749 -2.0749 -0.7508 -0.7508 -0.6475 -0.6475 0.8548 0.8548 1.1737 1.1737 1.3501 1.3501 1.9643 1.9643 2.4537 2.4537 2.5400 2.5400 2.5794 2.5794 2.8398 2.8398 3.3841 3.3841 3.4994 3.4994 3.6104 3.6104 4.0533 4.0533 4.1480 4.1480 4.2311 4.2311 4.3648 4.3648 4.5077 4.5077 4.7559 4.7559 5.1133 5.1133 5.4323 5.4323 5.9740 5.9740 6.2722 6.2722 9.2489 9.2489 9.7699 9.7699 10.0002 10.0002 10.7280 10.7280 11.3948 11.3948 k = 0.4483 0.2588 0.6034 ( 14492 PWs) bands (ev): -13.2284 -13.2284 -6.6014 -6.6014 -6.3468 -6.3468 -2.0750 -2.0750 -0.7516 -0.7516 -0.6473 -0.6473 0.8568 0.8568 1.1907 1.1907 1.3635 1.3635 1.9463 1.9463 2.4479 2.4479 2.5357 2.5357 2.5686 2.5686 2.8385 2.8385 3.3885 3.3885 3.4947 3.4947 3.6119 3.6119 4.0545 4.0545 4.1470 4.1470 4.2278 4.2278 4.3690 4.3690 4.4943 4.4943 4.7505 4.7505 5.1236 5.1236 5.4599 5.4599 5.9559 5.9559 6.2631 6.2631 9.2697 9.2697 9.7689 9.7689 9.9883 9.9883 10.7498 10.7498 11.4897 11.4897 k = 0.4655 0.2688 0.6034 ( 14500 PWs) bands (ev): -13.2284 -13.2284 -6.5943 -6.5943 -6.3543 -6.3543 -2.0751 -2.0751 -0.7522 -0.7522 -0.6473 -0.6473 0.8582 0.8582 1.2031 1.2031 1.3742 1.3742 1.9324 1.9324 2.4427 2.4427 2.5310 2.5310 2.5632 2.5632 2.8377 2.8377 3.3924 3.3924 3.4903 3.4903 3.6135 3.6135 4.0552 4.0552 4.1464 4.1464 4.2249 4.2249 4.3737 4.3737 4.4829 4.4829 4.7467 4.7467 5.1312 5.1312 5.4810 5.4810 5.9418 5.9418 6.2564 6.2564 9.2858 9.2858 9.7679 9.7679 9.9787 9.9787 10.7678 10.7678 11.5661 11.5661 k = 0.4828 0.2787 0.6034 ( 14488 PWs) bands (ev): -13.2283 -13.2283 -6.5898 -6.5898 -6.3591 -6.3591 -2.0751 -2.0751 -0.7526 -0.7526 -0.6473 -0.6473 0.8591 0.8591 1.2107 1.2107 1.3812 1.3812 1.9235 1.9235 2.4390 2.4390 2.5276 2.5276 2.5609 2.5609 2.8371 2.8371 3.3951 3.3951 3.4872 3.4872 3.6145 3.6145 4.0557 4.0557 4.1462 4.1462 4.2228 4.2228 4.3775 4.3775 4.4750 4.4750 4.7444 4.7444 5.1359 5.1359 5.4944 5.4944 5.9327 5.9327 6.2524 6.2524 9.2960 9.2960 9.7671 9.7671 9.9726 9.9726 10.7797 10.7797 11.6152 11.6152 k = 0.5000 0.2887 0.6034 ( 14480 PWs) bands (ev): -13.2283 -13.2283 -6.5883 -6.5883 -6.3607 -6.3607 -2.0751 -2.0751 -0.7527 -0.7527 -0.6472 -0.6472 0.8594 0.8594 1.2132 1.2132 1.3837 1.3837 1.9205 1.9205 2.4376 2.4376 2.5265 2.5265 2.5603 2.5603 2.8369 2.8369 3.3961 3.3961 3.4861 3.4861 3.6149 3.6149 4.0558 4.0558 4.1461 4.1461 4.2220 4.2220 4.3790 4.3790 4.4722 4.4722 4.7437 4.7437 5.1374 5.1374 5.4990 5.4990 5.9296 5.9296 6.2511 6.2511 9.2995 9.2995 9.7669 9.7669 9.9705 9.9705 10.7839 10.7839 11.6317 11.6317 k = 0.5000 0.2887 0.6034 ( 14480 PWs) bands (ev): -13.2283 -13.2283 -6.5883 -6.5883 -6.3607 -6.3607 -2.0751 -2.0751 -0.7527 -0.7527 -0.6472 -0.6472 0.8594 0.8594 1.2132 1.2132 1.3837 1.3837 1.9205 1.9205 2.4376 2.4376 2.5265 2.5265 2.5603 2.5603 2.8369 2.8369 3.3961 3.3961 3.4861 3.4861 3.6149 3.6149 4.0558 4.0558 4.1461 4.1461 4.2220 4.2220 4.3790 4.3790 4.4722 4.4722 4.7437 4.7437 5.1374 5.1374 5.4990 5.4990 5.9296 5.9296 6.2511 6.2511 9.2995 9.2995 9.7669 9.7669 9.9705 9.9705 10.7839 10.7839 11.6317 11.6317 k = 0.4902 0.3057 0.6034 ( 14496 PWs) bands (ev): -13.2283 -13.2283 -6.5879 -6.5879 -6.3611 -6.3611 -2.0752 -2.0752 -0.7528 -0.7528 -0.6477 -0.6477 0.8608 0.8608 1.2144 1.2144 1.3834 1.3834 1.9209 1.9209 2.4360 2.4360 2.5195 2.5195 2.5664 2.5664 2.8372 2.8372 3.3967 3.3967 3.4858 3.4858 3.6153 3.6153 4.0503 4.0503 4.1454 4.1454 4.2267 4.2267 4.3790 4.3790 4.4730 4.4730 4.7431 4.7431 5.1377 5.1377 5.4985 5.4985 5.9305 5.9305 6.2492 6.2492 9.3029 9.3029 9.7683 9.7683 9.9707 9.9707 10.7873 10.7873 11.6306 11.6306 k = 0.4804 0.3226 0.6034 ( 14510 PWs) bands (ev): -13.2283 -13.2283 -6.5866 -6.5866 -6.3624 -6.3624 -2.0754 -2.0754 -0.7528 -0.7528 -0.6491 -0.6491 0.8651 0.8651 1.2181 1.2181 1.3826 1.3826 1.9220 1.9220 2.4310 2.4310 2.5050 2.5050 2.5785 2.5785 2.8378 2.8378 3.3982 3.3982 3.4849 3.4849 3.6164 3.6164 4.0348 4.0348 4.1445 4.1445 4.2382 4.2382 4.3790 4.3790 4.4757 4.4757 4.7415 4.7415 5.1386 5.1386 5.4968 5.4968 5.9333 5.9333 6.2439 6.2439 9.3131 9.3131 9.7727 9.7727 9.9714 9.9714 10.7976 10.7976 11.6275 11.6275 k = 0.4706 0.3396 0.6034 ( 14506 PWs) bands (ev): -13.2283 -13.2283 -6.5846 -6.5846 -6.3645 -6.3645 -2.0756 -2.0756 -0.7528 -0.7528 -0.6515 -0.6515 0.8722 0.8722 1.2240 1.2240 1.3813 1.3813 1.9239 1.9239 2.4229 2.4229 2.4879 2.4879 2.5917 2.5917 2.8388 2.8388 3.4006 3.4006 3.4837 3.4837 3.6181 3.6181 4.0122 4.0122 4.1449 4.1449 4.2520 4.2520 4.3792 4.3792 4.4804 4.4804 4.7390 4.7390 5.1398 5.1398 5.4942 5.4942 5.9377 5.9377 6.2354 6.2354 9.3297 9.3297 9.7799 9.7799 9.9726 9.9726 10.8145 10.8145 11.6224 11.6224 k = 0.4608 0.3566 0.6034 ( 14498 PWs) bands (ev): -13.2283 -13.2283 -6.5817 -6.5817 -6.3675 -6.3675 -2.0760 -2.0760 -0.7529 -0.7529 -0.6546 -0.6546 0.8818 0.8818 1.2320 1.2320 1.3797 1.3797 1.9264 1.9264 2.4117 2.4117 2.4694 2.4694 2.6048 2.6048 2.8400 2.8400 3.4038 3.4038 3.4824 3.4824 3.6201 3.6201 3.9853 3.9853 4.1468 4.1468 4.2647 4.2647 4.3797 4.3797 4.4872 4.4872 4.7359 4.7359 5.1412 5.1412 5.4909 5.4909 5.9431 5.9431 6.2243 6.2243 9.3523 9.3523 9.7897 9.7897 9.9741 9.9741 10.8381 10.8381 11.6155 11.6155 k = 0.4510 0.3736 0.6034 ( 14506 PWs) bands (ev): -13.2282 -13.2282 -6.5780 -6.5780 -6.3713 -6.3713 -2.0764 -2.0764 -0.7529 -0.7529 -0.6585 -0.6585 0.8939 0.8939 1.2419 1.2419 1.3777 1.3777 1.9296 1.9296 2.3977 2.3977 2.4500 2.4500 2.6177 2.6177 2.8412 2.8412 3.4076 3.4076 3.4814 3.4814 3.6223 3.6223 3.9561 3.9561 4.1499 4.1499 4.2747 4.2747 4.3805 4.3805 4.4965 4.4965 4.7326 4.7326 5.1423 5.1423 5.4870 5.4870 5.9490 5.9490 6.2116 6.2116 9.3802 9.3802 9.8018 9.8018 9.9759 9.9759 10.8679 10.8679 11.6071 11.6071 k = 0.4412 0.3906 0.6034 ( 14508 PWs) bands (ev): -13.2282 -13.2282 -6.5735 -6.5735 -6.3759 -6.3759 -2.0769 -2.0769 -0.7528 -0.7528 -0.6629 -0.6629 0.9081 0.9081 1.2534 1.2534 1.3757 1.3757 1.9332 1.9332 2.3813 2.3813 2.4300 2.4300 2.6302 2.6302 2.8425 2.8425 3.4117 3.4117 3.4810 3.4810 3.6244 3.6244 3.9259 3.9259 4.1540 4.1540 4.2812 4.2812 4.3809 4.3809 4.5083 4.5083 4.7292 4.7292 5.1431 5.1431 5.4826 5.4826 5.9548 5.9548 6.1981 6.1981 9.4128 9.4128 9.8159 9.8159 9.9777 9.9777 10.9038 10.9038 11.5977 11.5977 k = 0.4314 0.4075 0.6034 ( 14492 PWs) bands (ev): -13.2282 -13.2282 -6.5682 -6.5682 -6.3813 -6.3813 -2.0775 -2.0775 -0.7526 -0.7526 -0.6679 -0.6679 0.9240 0.9240 1.2660 1.2660 1.3738 1.3738 1.9371 1.9371 2.3629 2.3629 2.4097 2.4097 2.6423 2.6423 2.8436 2.8436 3.4161 3.4161 3.4816 3.4816 3.6260 3.6260 3.8958 3.8958 4.1588 4.1588 4.2847 4.2847 4.3805 4.3805 4.5224 4.5224 4.7262 4.7262 5.1431 5.1431 5.4781 5.4781 5.9598 5.9598 6.1848 6.1848 9.4493 9.4493 9.8316 9.8316 9.9793 9.9793 10.9450 10.9450 11.5878 11.5878 k = 0.4216 0.4245 0.6034 ( 14488 PWs) bands (ev): -13.2282 -13.2282 -6.5621 -6.5621 -6.3875 -6.3875 -2.0781 -2.0781 -0.7524 -0.7524 -0.6732 -0.6732 0.9413 0.9413 1.2793 1.2793 1.3722 1.3722 1.9412 1.9412 2.3429 2.3429 2.3892 2.3892 2.6538 2.6538 2.8445 2.8445 3.4205 3.4205 3.4832 3.4832 3.6268 3.6268 3.8666 3.8666 4.1642 4.1642 4.2859 4.2859 4.3787 4.3787 4.5383 4.5383 4.7236 4.7236 5.1424 5.1424 5.4734 5.4734 5.9635 5.9635 6.1728 6.1728 9.4889 9.4889 9.8484 9.8484 9.9804 9.9804 10.9909 10.9909 11.5779 11.5779 k = 0.4118 0.4415 0.6034 ( 14496 PWs) bands (ev): -13.2281 -13.2281 -6.5552 -6.5552 -6.3945 -6.3945 -2.0787 -2.0787 -0.7520 -0.7520 -0.6786 -0.6786 0.9594 0.9594 1.2926 1.2926 1.3715 1.3715 1.9453 1.9453 2.3222 2.3222 2.3689 2.3689 2.6646 2.6646 2.8452 2.8452 3.4249 3.4249 3.4861 3.4861 3.6262 3.6262 3.8393 3.8393 4.1699 4.1699 4.2858 4.2858 4.3752 4.3752 4.5554 4.5554 4.7215 4.7215 5.1408 5.1408 5.4687 5.4687 5.9654 5.9654 6.1628 6.1628 9.5308 9.5308 9.8655 9.8655 9.9806 9.9806 11.0404 11.0404 11.5690 11.5690 k = 0.4020 0.4585 0.6034 ( 14482 PWs) bands (ev): -13.2281 -13.2281 -6.5476 -6.5476 -6.4023 -6.4023 -2.0792 -2.0792 -0.7514 -0.7514 -0.6841 -0.6841 0.9776 0.9776 1.3053 1.3053 1.3719 1.3719 1.9491 1.9491 2.3013 2.3013 2.3490 2.3490 2.6747 2.6747 2.8457 2.8457 3.4295 3.4295 3.4901 3.4901 3.6237 3.6237 3.8147 3.8147 4.1757 4.1757 4.2850 4.2850 4.3700 4.3700 4.5728 4.5728 4.7197 4.7197 5.1384 5.1384 5.4641 5.4641 5.9654 5.9654 6.1552 6.1552 9.5743 9.5743 9.8823 9.8823 9.9795 9.9795 11.0923 11.0923 11.5620 11.5620 k = 0.3922 0.4755 0.6034 ( 14484 PWs) bands (ev): -13.2281 -13.2281 -6.5393 -6.5393 -6.4108 -6.4108 -2.0798 -2.0798 -0.7508 -0.7508 -0.6894 -0.6894 0.9954 0.9954 1.3167 1.3167 1.3738 1.3738 1.9524 1.9524 2.2811 2.2811 2.3300 2.3300 2.6838 2.6838 2.8460 2.8460 3.4342 3.4342 3.4952 3.4952 3.6186 3.6186 3.7937 3.7937 4.1814 4.1814 4.2842 4.2842 4.3635 4.3635 4.5901 4.5901 4.7179 4.7179 5.1355 5.1355 5.4598 5.4598 5.9638 5.9638 6.1499 6.1499 9.6187 9.6187 9.8977 9.8977 9.9765 9.9765 11.1449 11.1449 11.5576 11.5576 k = 0.3824 0.4924 0.6034 ( 14496 PWs) bands (ev): -13.2280 -13.2280 -6.5303 -6.5303 -6.4200 -6.4200 -2.0803 -2.0803 -0.7500 -0.7500 -0.6944 -0.6944 1.0120 1.0120 1.3267 1.3267 1.3771 1.3771 1.9551 1.9551 2.2622 2.2622 2.3123 2.3123 2.6917 2.6917 2.8461 2.8461 3.4391 3.4391 3.5010 3.5010 3.6106 3.6106 3.7771 3.7771 4.1866 4.1866 4.2842 4.2842 4.3557 4.3557 4.6069 4.6069 4.7156 4.7156 5.1323 5.1323 5.4559 5.4559 5.9612 5.9612 6.1467 6.1467 9.6636 9.6636 9.9108 9.9108 9.9711 9.9711 11.1965 11.1965 11.5561 11.5561 k = 0.3725 0.5094 0.6034 ( 14500 PWs) bands (ev): -13.2280 -13.2280 -6.5205 -6.5205 -6.4298 -6.4298 -2.0808 -2.0808 -0.7491 -0.7491 -0.6988 -0.6988 1.0265 1.0265 1.3355 1.3355 1.3810 1.3810 1.9570 1.9570 2.2454 2.2454 2.2968 2.2968 2.6984 2.6984 2.8462 2.8462 3.4443 3.4443 3.5075 3.5075 3.5998 3.5998 3.7649 3.7649 4.1909 4.1909 4.2853 4.2853 4.3472 4.3472 4.6228 4.6228 4.7125 4.7125 5.1293 5.1293 5.4526 5.4526 5.9581 5.9581 6.1451 6.1451 9.7084 9.7084 9.9201 9.9201 9.9629 9.9629 11.2453 11.2453 11.5556 11.5556 k = 0.3627 0.5264 0.6034 ( 14504 PWs) bands (ev): -13.2280 -13.2280 -6.5102 -6.5102 -6.4403 -6.4403 -2.0811 -2.0811 -0.7482 -0.7482 -0.7026 -0.7026 1.0384 1.0384 1.3438 1.3438 1.3840 1.3840 1.9580 1.9580 2.2313 2.2313 2.2839 2.2839 2.7036 2.7036 2.8463 2.8463 3.4494 3.4494 3.5144 3.5144 3.5871 3.5871 3.7568 3.7568 4.1943 4.1943 4.2879 4.2879 4.3382 4.3382 4.6377 4.6377 4.7079 4.7079 5.1266 5.1266 5.4500 5.4500 5.9551 5.9551 6.1443 6.1443 9.7529 9.7529 9.9237 9.9237 9.9525 9.9525 11.2903 11.2903 11.5504 11.5504 k = 0.3529 0.5434 0.6034 ( 14500 PWs) bands (ev): -13.2279 -13.2279 -6.4992 -6.4992 -6.4514 -6.4514 -2.0814 -2.0814 -0.7475 -0.7475 -0.7055 -0.7055 1.0471 1.0471 1.3523 1.3523 1.3849 1.3849 1.9584 1.9584 2.2204 2.2204 2.2744 2.2744 2.7073 2.7073 2.8464 2.8464 3.4542 3.4542 3.5212 3.5212 3.5743 3.5743 3.7518 3.7518 4.1966 4.1966 4.2921 4.2921 4.3291 4.3291 4.6514 4.6514 4.7017 4.7017 5.1248 5.1248 5.4482 5.4482 5.9526 5.9526 6.1441 6.1441 9.7966 9.7966 9.9181 9.9181 9.9422 9.9422 11.3308 11.3308 11.5348 11.5348 k = 0.3431 0.5604 0.6034 ( 14496 PWs) bands (ev): -13.2279 -13.2279 -6.4875 -6.4875 -6.4631 -6.4631 -2.0815 -2.0815 -0.7470 -0.7470 -0.7073 -0.7073 1.0522 1.0522 1.3608 1.3608 1.3828 1.3828 1.9584 1.9584 2.2134 2.2134 2.2687 2.2687 2.7095 2.7095 2.8465 2.8465 3.4579 3.4579 3.5270 3.5270 3.5639 3.5639 3.7493 3.7493 4.1978 4.1978 4.2974 4.2974 4.3209 4.3209 4.6633 4.6633 4.6942 4.6942 5.1237 5.1237 5.4472 5.4472 5.9510 5.9510 6.1440 6.1440 9.8388 9.8388 9.9009 9.9009 9.9341 9.9341 11.3643 11.3643 11.5127 11.5127 k = 0.3333 0.5774 0.6034 ( 14496 PWs) bands (ev): -13.2279 -13.2279 -6.4757 -6.4757 -6.4750 -6.4750 -2.0816 -2.0816 -0.7468 -0.7468 -0.7079 -0.7079 1.0539 1.0539 1.3661 1.3661 1.3799 1.3799 1.9583 1.9583 2.2109 2.2109 2.2668 2.2668 2.7102 2.7102 2.8466 2.8466 3.4593 3.4593 3.5293 3.5293 3.5597 3.5597 3.7485 3.7485 4.1981 4.1981 4.3009 4.3009 4.3165 4.3165 4.6697 4.6697 4.6892 4.6892 5.1234 5.1234 5.4469 5.4469 5.9504 5.9504 6.1440 6.1440 9.8729 9.8729 9.8777 9.8777 9.9287 9.9287 11.3799 11.3799 11.5003 11.5003 k = 0.3333 0.5774 0.6034 ( 14496 PWs) bands (ev): -13.2279 -13.2279 -6.4757 -6.4757 -6.4750 -6.4750 -2.0816 -2.0816 -0.7468 -0.7468 -0.7079 -0.7079 1.0539 1.0539 1.3661 1.3661 1.3799 1.3799 1.9583 1.9583 2.2109 2.2109 2.2668 2.2668 2.7102 2.7102 2.8466 2.8466 3.4593 3.4593 3.5293 3.5293 3.5597 3.5597 3.7485 3.7485 4.1981 4.1981 4.3009 4.3009 4.3165 4.3165 4.6697 4.6697 4.6892 4.6892 5.1234 5.1234 5.4469 5.4469 5.9504 5.9504 6.1440 6.1440 9.8729 9.8729 9.8777 9.8777 9.9287 9.9287 11.3799 11.3799 11.5003 11.5003 k = 0.3235 0.5604 0.6034 ( 14496 PWs) bands (ev): -13.2279 -13.2279 -6.4880 -6.4880 -6.4626 -6.4626 -2.0815 -2.0815 -0.7470 -0.7470 -0.7073 -0.7073 1.0523 1.0523 1.3588 1.3588 1.3845 1.3845 1.9585 1.9585 2.2135 2.2135 2.2686 2.2686 2.7095 2.7095 2.8465 2.8465 3.4576 3.4576 3.5280 3.5280 3.5631 3.5631 3.7492 3.7492 4.1979 4.1979 4.2970 4.2970 4.3212 4.3212 4.6629 4.6629 4.6947 4.6947 5.1236 5.1236 5.4471 5.4471 5.9510 5.9510 6.1440 6.1440 9.8436 9.8436 9.8860 9.8860 9.9444 9.9444 11.3627 11.3627 11.5136 11.5136 k = 0.3137 0.5434 0.6034 ( 14500 PWs) bands (ev): -13.2280 -13.2280 -6.5012 -6.5012 -6.4494 -6.4494 -2.0814 -2.0814 -0.7474 -0.7474 -0.7056 -0.7056 1.0479 1.0479 1.3430 1.3430 1.3918 1.3918 1.9594 1.9594 2.2218 2.2218 2.2737 2.2737 2.7076 2.7076 2.8463 2.8463 3.4523 3.4523 3.5270 3.5270 3.5702 3.5702 3.7516 3.7516 4.1972 4.1972 4.2901 4.2901 4.3309 4.3309 4.6496 4.6496 4.7046 4.7046 5.1238 5.1238 5.4474 5.4474 5.9530 5.9530 6.1443 6.1443 9.8070 9.8070 9.8701 9.8701 9.9816 9.9816 11.3222 11.3222 11.5341 11.5341 k = 0.3039 0.5264 0.6034 ( 14502 PWs) bands (ev): -13.2280 -13.2280 -6.5147 -6.5147 -6.4357 -6.4357 -2.0811 -2.0811 -0.7479 -0.7479 -0.7029 -0.7029 1.0410 1.0410 1.3223 1.3223 1.3979 1.3979 1.9614 1.9614 2.2354 2.2354 2.2821 2.2821 2.7046 2.7046 2.8460 2.8460 3.4444 3.4444 3.5280 3.5280 3.5780 3.5780 3.7560 3.7560 4.1964 4.1964 4.2832 4.2832 4.3423 4.3423 4.6343 4.6343 4.7148 4.7148 5.1236 5.1236 5.4474 5.4474 5.9564 5.9564 6.1449 6.1449 9.7659 9.7659 9.8457 9.8457 10.0233 10.0233 11.2712 11.2712 11.5306 11.5306 k = 0.2941 0.5094 0.6034 ( 14502 PWs) bands (ev): -13.2280 -13.2280 -6.5286 -6.5286 -6.4215 -6.4215 -2.0808 -2.0808 -0.7485 -0.7485 -0.6995 -0.6995 1.0321 1.0321 1.2977 1.2977 1.4014 1.4014 1.9650 1.9650 2.2534 2.2534 2.2939 2.2939 2.7007 2.7007 2.8455 2.8455 3.4352 3.4352 3.5305 3.5305 3.5849 3.5849 3.7628 3.7628 4.1955 4.1955 4.2767 4.2767 4.3546 4.3546 4.6183 4.6183 4.7248 4.7248 5.1225 5.1225 5.4464 5.4464 5.9616 5.9616 6.1462 6.1462 9.7214 9.7214 9.8170 9.8170 10.0661 10.0661 11.2140 11.2140 11.5001 11.5001 k = 0.2843 0.4924 0.6034 ( 14496 PWs) bands (ev): -13.2281 -13.2281 -6.5428 -6.5428 -6.4070 -6.4070 -2.0803 -2.0803 -0.7490 -0.7490 -0.6956 -0.6956 1.0215 1.0215 1.2701 1.2701 1.4017 1.4017 1.9706 1.9706 2.2734 2.2734 2.3106 2.3106 2.6960 2.6960 2.8450 2.8450 3.4258 3.4258 3.5336 3.5336 3.5899 3.5899 3.7726 3.7726 4.1947 4.1947 4.2707 4.2707 4.3676 4.3676 4.6024 4.6024 4.7344 4.7344 5.1201 5.1201 5.4437 5.4437 5.9686 5.9686 6.1487 6.1487 9.6742 9.6742 9.7857 9.7857 10.1095 10.1095 11.1522 11.1522 11.4539 11.4539 k = 0.2745 0.4755 0.6034 ( 14512 PWs) bands (ev): -13.2281 -13.2281 -6.5572 -6.5572 -6.3921 -6.3921 -2.0798 -2.0798 -0.7493 -0.7493 -0.6912 -0.6912 1.0097 1.0097 1.2403 1.2403 1.3985 1.3985 1.9788 1.9788 2.2922 2.2922 2.3344 2.3344 2.6907 2.6907 2.8445 2.8445 3.4168 3.4168 3.5368 3.5368 3.5929 3.5929 3.7856 3.7856 4.1938 4.1938 4.2653 4.2653 4.3810 4.3810 4.5873 4.5873 4.7435 4.7435 5.1162 5.1162 5.4384 5.4384 5.9777 5.9777 6.1527 6.1527 9.6255 9.6255 9.7529 9.7529 10.1533 10.1533 11.0867 11.0867 11.3982 11.3982 k = 0.2647 0.4585 0.6034 ( 14508 PWs) bands (ev): -13.2282 -13.2282 -6.5718 -6.5718 -6.3770 -6.3770 -2.0793 -2.0793 -0.7494 -0.7494 -0.6867 -0.6867 0.9969 0.9969 1.2091 1.2091 1.3919 1.3919 1.9894 1.9894 2.3085 2.3085 2.3651 2.3651 2.6851 2.6851 2.8441 2.8441 3.4086 3.4086 3.5393 3.5393 3.5942 3.5942 3.8013 3.8013 4.1931 4.1931 4.2604 4.2604 4.3943 4.3943 4.5735 4.5735 4.7520 4.7520 5.1105 5.1105 5.4297 5.4297 5.9893 5.9893 6.1586 6.1586 9.5763 9.5763 9.7196 9.7196 10.1973 10.1973 11.0178 11.0178 11.3361 11.3361 k = 0.2549 0.4415 0.6034 ( 14528 PWs) bands (ev): -13.2283 -13.2283 -6.5866 -6.5866 -6.3616 -6.3616 -2.0787 -2.0787 -0.7493 -0.7493 -0.6821 -0.6821 0.9834 0.9834 1.1772 1.1772 1.3821 1.3821 2.0025 2.0025 2.3233 2.3233 2.4009 2.4009 2.6792 2.6792 2.8440 2.8440 3.4014 3.4014 3.5406 3.5406 3.5947 3.5947 3.8193 3.8193 4.1924 4.1924 4.2557 4.2557 4.4073 4.4073 4.5616 4.5616 4.7601 4.7601 5.1031 5.1031 5.4169 5.4169 6.0036 6.0036 6.1667 6.1667 9.5277 9.5277 9.6862 9.6862 10.2415 10.2415 10.9462 10.9462 11.2697 11.2697 k = 0.2451 0.4245 0.6034 ( 14516 PWs) bands (ev): -13.2284 -13.2284 -6.6014 -6.6014 -6.3460 -6.3460 -2.0781 -2.0781 -0.7490 -0.7490 -0.6775 -0.6775 0.9694 0.9694 1.1451 1.1451 1.3695 1.3695 2.0178 2.0178 2.3374 2.3374 2.4396 2.4396 2.6736 2.6736 2.8443 2.8443 3.3953 3.3953 3.5401 3.5401 3.5954 3.5954 3.8388 3.8388 4.1919 4.1919 4.2512 4.2512 4.4193 4.4193 4.5522 4.5522 4.7676 4.7676 5.0942 5.0942 5.3993 5.3993 6.0207 6.0207 6.1772 6.1772 9.4806 9.4806 9.6533 9.6533 10.2855 10.2855 10.8722 10.8722 11.2008 11.2008 k = 0.2353 0.4075 0.6034 ( 14518 PWs) bands (ev): -13.2285 -13.2285 -6.6162 -6.6162 -6.3302 -6.3302 -2.0776 -2.0776 -0.7485 -0.7485 -0.6733 -0.6733 0.9551 0.9551 1.1135 1.1135 1.3547 1.3547 2.0349 2.0349 2.3511 2.3511 2.4797 2.4797 2.6687 2.6687 2.8451 2.8451 3.3903 3.3903 3.5375 3.5375 3.5971 3.5971 3.8589 3.8589 4.1915 4.1915 4.2466 4.2466 4.4298 4.4298 4.5458 4.5458 4.7745 4.7745 5.0840 5.0840 5.3767 5.3767 6.0407 6.0407 6.1904 6.1904 9.4359 9.4359 9.6210 9.6210 10.3288 10.3288 10.7966 10.7966 11.1309 11.1309 k = 0.2255 0.3906 0.6034 ( 14512 PWs) bands (ev): -13.2286 -13.2286 -6.6310 -6.6310 -6.3144 -6.3144 -2.0771 -2.0771 -0.7479 -0.7479 -0.6694 -0.6694 0.9408 0.9408 1.0826 1.0826 1.3383 1.3383 2.0535 2.0535 2.3646 2.3646 2.5191 2.5191 2.6660 2.6660 2.8465 2.8465 3.3866 3.3866 3.5330 3.5330 3.6001 3.6001 3.8790 3.8790 4.1914 4.1914 4.2420 4.2420 4.4380 4.4380 4.5426 4.5426 4.7808 4.7808 5.0729 5.0729 5.3491 5.3491 6.0635 6.0635 6.2062 6.2062 9.3944 9.3944 9.5893 9.5893 10.3704 10.3704 10.7201 10.7201 11.0621 11.0621 k = 0.2157 0.3736 0.6034 ( 14512 PWs) bands (ev): -13.2287 -13.2287 -6.6457 -6.6457 -6.2986 -6.2986 -2.0766 -2.0766 -0.7472 -0.7472 -0.6660 -0.6660 0.9266 0.9266 1.0529 1.0529 1.3207 1.3207 2.0731 2.0731 2.3777 2.3777 2.5545 2.5545 2.6680 2.6680 2.8488 2.8488 3.3841 3.3841 3.5272 3.5272 3.6044 3.6044 3.8984 3.8984 4.1916 4.1916 4.2372 4.2372 4.4433 4.4433 4.5429 4.5429 4.7865 4.7865 5.0613 5.0613 5.3168 5.3168 6.0890 6.0890 6.2248 6.2248 9.3567 9.3567 9.5581 9.5581 10.4080 10.4080 10.6446 10.6446 10.9966 10.9966 k = 0.2059 0.3566 0.6034 ( 14530 PWs) bands (ev): -13.2288 -13.2288 -6.6602 -6.6602 -6.2827 -6.2827 -2.0763 -2.0763 -0.7465 -0.7465 -0.6632 -0.6632 0.9128 0.9128 1.0246 1.0246 1.3025 1.3025 2.0934 2.0934 2.3906 2.3906 2.5799 2.5799 2.6802 2.6802 2.8521 2.8521 3.3828 3.3828 3.5208 3.5208 3.6096 3.6096 3.9163 3.9163 4.1919 4.1919 4.2325 4.2325 4.4455 4.4455 4.5460 4.5460 4.7915 4.7915 5.0497 5.0497 5.2803 5.2803 6.1167 6.1167 6.2462 6.2462 9.3230 9.3230 9.5268 9.5268 10.4352 10.4352 10.5749 10.5749 10.9376 10.9376 k = 0.1961 0.3396 0.6034 ( 14522 PWs) bands (ev): -13.2290 -13.2290 -6.6745 -6.6745 -6.2670 -6.2670 -2.0760 -2.0760 -0.7457 -0.7457 -0.6612 -0.6612 0.8995 0.8995 0.9980 0.9980 1.2841 1.2841 2.1141 2.1141 2.4032 2.4032 2.5915 2.5915 2.7054 2.7054 2.8571 2.8571 3.3829 3.3829 3.5143 3.5143 3.6155 3.6155 3.9325 3.9325 4.1923 4.1923 4.2280 4.2280 4.4448 4.4448 4.5508 4.5508 4.7954 4.7954 5.0388 5.0388 5.2404 5.2404 6.1465 6.1465 6.2705 6.2705 9.2934 9.2934 9.4952 9.4952 10.4292 10.4292 10.5311 10.5311 10.8894 10.8894 k = 0.1863 0.3226 0.6034 ( 14520 PWs) bands (ev): -13.2291 -13.2291 -6.6885 -6.6885 -6.2514 -6.2514 -2.0759 -2.0759 -0.7450 -0.7450 -0.6600 -0.6600 0.8869 0.8869 0.9731 0.9731 1.2657 1.2657 2.1348 2.1348 2.4156 2.4156 2.5936 2.5936 2.7381 2.7381 2.8648 2.8648 3.3842 3.3842 3.5080 3.5080 3.6219 3.6219 3.9464 3.9464 4.1925 4.1925 4.2240 4.2240 4.4418 4.4418 4.5560 4.5560 4.7981 4.7981 5.0288 5.0288 5.1985 5.1985 6.1780 6.1780 6.2976 6.2976 9.2676 9.2676 9.4626 9.4626 10.3748 10.3748 10.5243 10.5243 10.8579 10.8579 k = 0.1765 0.3057 0.6034 ( 14520 PWs) bands (ev): -13.2293 -13.2293 -6.7022 -6.7022 -6.2361 -6.2361 -2.0759 -2.0759 -0.7443 -0.7443 -0.6597 -0.6597 0.8751 0.8751 0.9500 0.9500 1.2478 1.2478 2.1553 2.1553 2.4278 2.4278 2.5912 2.5912 2.7706 2.7706 2.8775 2.8775 3.3869 3.3869 3.5024 3.5024 3.6286 3.6286 3.9577 3.9577 4.1922 4.1922 4.2208 4.2208 4.4367 4.4367 4.5605 4.5605 4.7988 4.7988 5.0194 5.0194 5.1569 5.1569 6.2109 6.2109 6.3275 6.3275 9.2448 9.2448 9.4287 9.4287 10.3043 10.3043 10.5190 10.5190 10.8474 10.8474 k = 0.1667 0.2887 0.6034 ( 14516 PWs) bands (ev): -13.2295 -13.2295 -6.7155 -6.7155 -6.2210 -6.2210 -2.0760 -2.0760 -0.7436 -0.7436 -0.6603 -0.6603 0.8641 0.8641 0.9290 0.9290 1.2306 1.2306 2.1753 2.1753 2.4400 2.4400 2.5873 2.5873 2.7966 2.7966 2.8986 2.8986 3.3908 3.3908 3.4976 3.4976 3.6358 3.6358 3.9663 3.9663 4.1911 4.1911 4.2186 4.2186 4.4294 4.4294 4.5633 4.5633 4.7971 4.7971 5.0078 5.0078 5.1200 5.1200 6.2452 6.2452 6.3601 6.3601 9.2233 9.2233 9.3937 9.3937 10.2321 10.2321 10.5029 10.5029 10.8558 10.8558 k = 0.1569 0.2717 0.6034 ( 14524 PWs) bands (ev): -13.2296 -13.2296 -6.7283 -6.7283 -6.2063 -6.2063 -2.0763 -2.0763 -0.7431 -0.7431 -0.6618 -0.6618 0.8539 0.8539 0.9101 0.9101 1.2143 1.2143 2.1946 2.1946 2.4520 2.4520 2.5831 2.5831 2.8137 2.8137 2.9293 2.9293 3.3958 3.3958 3.4939 3.4939 3.6432 3.6432 3.9721 3.9721 4.1891 4.1891 4.2175 4.2175 4.4201 4.4201 4.5639 4.5639 4.7926 4.7926 4.9877 4.9877 5.0958 5.0958 6.2806 6.2806 6.3952 6.3952 9.2010 9.2010 9.3581 9.3581 10.1623 10.1623 10.4794 10.4794 10.8719 10.8719 k = 0.1471 0.2547 0.6034 ( 14532 PWs) bands (ev): -13.2298 -13.2298 -6.7407 -6.7407 -6.1921 -6.1921 -2.0768 -2.0768 -0.7426 -0.7426 -0.6642 -0.6642 0.8443 0.8443 0.8935 0.8935 1.1990 1.1990 2.2128 2.2128 2.4640 2.4640 2.5792 2.5792 2.8239 2.8239 2.9666 2.9666 3.4019 3.4019 3.4912 3.4912 3.6508 3.6508 3.9750 3.9750 4.1864 4.1864 4.2169 4.2169 4.4086 4.4086 4.5616 4.5616 4.7855 4.7855 4.9555 4.9555 5.0889 5.0889 6.3174 6.3174 6.4326 6.4326 9.1747 9.1747 9.3231 9.3231 10.0974 10.0974 10.4542 10.4542 10.8709 10.8709 k = 0.1373 0.2377 0.6034 ( 14532 PWs) bands (ev): -13.2300 -13.2300 -6.7525 -6.7525 -6.1783 -6.1783 -2.0773 -2.0773 -0.7423 -0.7423 -0.6673 -0.6673 0.8348 0.8348 0.8796 0.8796 1.1849 1.1849 2.2298 2.2298 2.4756 2.4756 2.5763 2.5763 2.8303 2.8303 3.0073 3.0073 3.4089 3.4089 3.4898 3.4898 3.6588 3.6588 3.9751 3.9751 4.1832 4.1832 4.2163 4.2163 4.3951 4.3951 4.5557 4.5557 4.7762 4.7762 4.9164 4.9164 5.0949 5.0949 6.3556 6.3556 6.4718 6.4718 9.1413 9.1413 9.2896 9.2896 10.0398 10.0398 10.4308 10.4308 10.8311 10.8311 k = 0.1275 0.2208 0.6034 ( 14534 PWs) bands (ev): -13.2301 -13.2301 -6.7637 -6.7637 -6.1651 -6.1651 -2.0780 -2.0780 -0.7421 -0.7421 -0.6711 -0.6711 0.8251 0.8251 0.8687 0.8687 1.1720 1.1720 2.2454 2.2454 2.4867 2.4867 2.5750 2.5750 2.8344 2.8344 3.0494 3.0494 3.4165 3.4165 3.4897 3.4897 3.6670 3.6670 3.9725 3.9725 4.1799 4.1799 4.2154 4.2154 4.3795 4.3795 4.5453 4.5453 4.7656 4.7656 4.8767 4.8767 5.1082 5.1082 6.3953 6.3953 6.5125 6.5125 9.0994 9.0994 9.2570 9.2570 9.9920 9.9920 10.4111 10.4111 10.7714 10.7714 k = 0.1176 0.2038 0.6034 ( 14530 PWs) bands (ev): -13.2303 -13.2303 -6.7743 -6.7743 -6.1526 -6.1526 -2.0788 -2.0788 -0.7421 -0.7421 -0.6755 -0.6755 0.8150 0.8150 0.8607 0.8607 1.1604 1.1604 2.2595 2.2595 2.4967 2.4967 2.5759 2.5759 2.8373 2.8373 3.0917 3.0917 3.4246 3.4246 3.4908 3.4908 3.6755 3.6755 3.9671 3.9671 4.1763 4.1763 4.2138 4.2138 4.3623 4.3623 4.5293 4.5293 4.7547 4.7547 4.8400 4.8400 5.1256 5.1256 6.4365 6.4365 6.5541 6.5541 9.0497 9.0497 9.2229 9.2229 9.9560 9.9560 10.3957 10.3957 10.7091 10.7091 k = 0.1078 0.1868 0.6034 ( 14526 PWs) bands (ev): -13.2304 -13.2304 -6.7841 -6.7841 -6.1407 -6.1407 -2.0797 -2.0797 -0.7422 -0.7422 -0.6803 -0.6803 0.8048 0.8048 0.8552 0.8552 1.1502 1.1502 2.2720 2.2720 2.5048 2.5048 2.5798 2.5798 2.8395 2.8395 3.1337 3.1337 3.4330 3.4330 3.4933 3.4933 3.6842 3.6842 3.9589 3.9589 4.1727 4.1727 4.2117 4.2117 4.3437 4.3437 4.5070 4.5070 4.7443 4.7443 4.8086 4.8086 5.1451 5.1451 6.4792 6.4792 6.5963 6.5963 8.9943 8.9943 9.1848 9.1848 9.9331 9.9331 10.3841 10.3841 10.6500 10.6500 k = 0.0980 0.1698 0.6034 ( 14530 PWs) bands (ev): -13.2306 -13.2306 -6.7933 -6.7933 -6.1297 -6.1297 -2.0807 -2.0807 -0.7424 -0.7424 -0.6853 -0.6853 0.7948 0.7948 0.8518 0.8518 1.1413 1.1413 2.2828 2.2828 2.5106 2.5106 2.5871 2.5871 2.8411 2.8411 3.1750 3.1750 3.4416 3.4416 3.4968 3.4968 3.6932 3.6932 3.9480 3.9480 4.1688 4.1688 4.2090 4.2090 4.3242 4.3242 4.4785 4.4785 4.7353 4.7353 4.7832 4.7832 5.1655 5.1655 6.5229 6.5229 6.6385 6.6385 8.9352 8.9352 9.1413 9.1413 9.9232 9.9232 10.3758 10.3758 10.5965 10.5965 k = 0.0882 0.1528 0.6034 ( 14522 PWs) bands (ev): -13.2307 -13.2307 -6.8017 -6.8017 -6.1195 -6.1195 -2.0817 -2.0817 -0.7428 -0.7428 -0.6903 -0.6903 0.7852 0.7852 0.8497 0.8497 1.1337 1.1337 2.2921 2.2921 2.5142 2.5142 2.5973 2.5973 2.8423 2.8423 3.2153 3.2153 3.4501 3.4501 3.5013 3.5013 3.7025 3.7025 3.9345 3.9345 4.1646 4.1646 4.2062 4.2062 4.3043 4.3043 4.4448 4.4448 4.7279 4.7279 4.7635 4.7635 5.1859 5.1859 6.5674 6.5674 6.6803 6.6803 8.8743 8.8743 9.0930 9.0930 9.9245 9.9245 10.3695 10.3695 10.5501 10.5501 k = 0.0784 0.1358 0.6034 ( 14514 PWs) bands (ev): -13.2308 -13.2308 -6.8093 -6.8093 -6.1101 -6.1101 -2.0827 -2.0827 -0.7433 -0.7433 -0.6953 -0.6953 0.7764 0.7764 0.8487 0.8487 1.1273 1.1273 2.2998 2.2998 2.5161 2.5161 2.6095 2.6095 2.8432 2.8432 3.2543 3.2543 3.4588 3.4588 3.5063 3.5063 3.7118 3.7118 3.9185 3.9185 4.1602 4.1602 4.2034 4.2034 4.2844 4.2844 4.4077 4.4077 4.7221 4.7221 4.7488 4.7488 5.2054 5.2054 6.6120 6.6120 6.7209 6.7209 8.8134 8.8134 9.0414 9.0414 9.9345 9.9345 10.3636 10.3636 10.5124 10.5124 k = 0.0686 0.1189 0.6034 ( 14518 PWs) bands (ev): -13.2310 -13.2310 -6.8161 -6.8161 -6.1017 -6.1017 -2.0836 -2.0836 -0.7439 -0.7439 -0.6999 -0.6999 0.7685 0.7685 0.8484 0.8484 1.1222 1.1222 2.3062 2.3062 2.5171 2.5171 2.6227 2.6227 2.8440 2.8440 3.2918 3.2918 3.4676 3.4676 3.5114 3.5114 3.7209 3.7209 3.9006 3.9006 4.1556 4.1556 4.2009 4.2009 4.2652 4.2652 4.3694 4.3694 4.7173 4.7173 4.7384 4.7384 5.2236 5.2236 6.6557 6.6557 6.7599 6.7599 8.7539 8.7539 8.9890 8.9890 9.9500 9.9500 10.3566 10.3566 10.4849 10.4849 k = 0.0588 0.1019 0.6034 ( 14526 PWs) bands (ev): -13.2311 -13.2311 -6.8221 -6.8221 -6.0944 -6.0944 -2.0846 -2.0846 -0.7447 -0.7447 -0.7042 -0.7042 0.7615 0.7615 0.8485 0.8485 1.1181 1.1181 2.3114 2.3114 2.5175 2.5175 2.6359 2.6359 2.8447 2.8447 3.3275 3.3275 3.4765 3.4765 3.5162 3.5162 3.7294 3.7294 3.8815 3.8815 4.1510 4.1510 4.1988 4.1988 4.2471 4.2471 4.3316 4.3316 4.7128 4.7128 4.7318 4.7318 5.2400 5.2400 6.6976 6.6976 6.7964 6.7964 8.6973 8.6973 8.9380 8.9380 9.9680 9.9680 10.3477 10.3477 10.4680 10.4680 k = 0.0490 0.0849 0.6034 ( 14522 PWs) bands (ev): -13.2312 -13.2312 -6.8272 -6.8272 -6.0880 -6.0880 -2.0854 -2.0854 -0.7455 -0.7455 -0.7079 -0.7079 0.7556 0.7556 0.8488 0.8488 1.1149 1.1149 2.3155 2.3155 2.5177 2.5177 2.6484 2.6484 2.8453 2.8453 3.3607 3.3607 3.4855 3.4855 3.5203 3.5203 3.7364 3.7364 3.8625 3.8625 4.1466 4.1466 4.1971 4.1971 4.2306 4.2306 4.2961 4.2961 4.7085 4.7085 4.7281 4.7281 5.2543 5.2543 6.7364 6.7364 6.8298 6.8298 8.6453 8.6453 8.8906 8.8906 9.9856 9.9856 10.3378 10.3378 10.4602 10.4602 k = 0.0392 0.0679 0.6034 ( 14514 PWs) bands (ev): -13.2312 -13.2312 -6.8313 -6.8313 -6.0828 -6.0828 -2.0861 -2.0861 -0.7462 -0.7462 -0.7110 -0.7110 0.7507 0.7507 0.8492 0.8492 1.1125 1.1125 2.3187 2.3187 2.5178 2.5178 2.6595 2.6595 2.8458 2.8458 3.3908 3.3908 3.4945 3.4945 3.5234 3.5234 3.7409 3.7409 3.8456 3.8456 4.1427 4.1427 4.1958 4.1958 4.2160 4.2160 4.2646 4.2646 4.7046 4.7046 4.7263 4.7263 5.2663 5.2663 6.7706 6.7706 6.8592 6.8592 8.5995 8.5995 8.8490 8.8490 10.0010 10.0010 10.3289 10.3289 10.4586 10.4586 k = 0.0294 0.0509 0.6034 ( 14518 PWs) bands (ev): -13.2313 -13.2313 -6.8346 -6.8346 -6.0787 -6.0787 -2.0867 -2.0867 -0.7470 -0.7470 -0.7134 -0.7134 0.7468 0.7468 0.8496 0.8496 1.1109 1.1109 2.3210 2.3210 2.5178 2.5178 2.6687 2.6687 2.8462 2.8462 3.4167 3.4167 3.5031 3.5031 3.5252 3.5252 3.7416 3.7416 3.8329 3.8329 4.1393 4.1393 4.1946 4.1946 4.2038 4.2038 4.2388 4.2388 4.7015 4.7015 4.7255 4.7255 5.2758 5.2758 6.7989 6.7989 6.8836 6.8836 8.5616 8.5616 8.8147 8.8147 10.0129 10.0129 10.3224 10.3224 10.4603 10.4603 k = 0.0196 0.0340 0.6034 ( 14514 PWs) bands (ev): -13.2313 -13.2313 -6.8369 -6.8369 -6.0758 -6.0758 -2.0871 -2.0871 -0.7476 -0.7476 -0.7151 -0.7151 0.7441 0.7441 0.8499 0.8499 1.1097 1.1097 2.3226 2.3226 2.5178 2.5178 2.6756 2.6756 2.8466 2.8466 3.4371 3.4371 3.5107 3.5107 3.5259 3.5259 3.7386 3.7386 3.8256 3.8256 4.1367 4.1367 4.1921 4.1921 4.1953 4.1953 4.2201 4.2201 4.6994 4.6994 4.7252 4.7252 5.2826 5.2826 6.8201 6.8201 6.9021 6.9021 8.5331 8.5331 8.7891 8.7891 10.0209 10.0209 10.3184 10.3184 10.4631 10.4631 k = 0.0098 0.0170 0.6034 ( 14514 PWs) bands (ev): -13.2314 -13.2314 -6.8383 -6.8383 -6.0740 -6.0740 -2.0874 -2.0874 -0.7479 -0.7479 -0.7161 -0.7161 0.7425 0.7425 0.8501 0.8501 1.1091 1.1091 2.3235 2.3235 2.5177 2.5177 2.6798 2.6798 2.8468 2.8468 3.4504 3.4504 3.5162 3.5162 3.5257 3.5257 3.7344 3.7344 3.8225 3.8225 4.1351 4.1351 4.1861 4.1861 4.1934 4.1934 4.2096 4.2096 4.6980 4.6980 4.7251 4.7251 5.2868 5.2868 6.8332 6.8332 6.9136 6.9136 8.5153 8.5153 8.7734 8.7734 10.0255 10.0255 10.3164 10.3164 10.4655 10.4655 k = 0.0000 0.0000 0.6034 ( 14512 PWs) bands (ev): -13.2314 -13.2314 -6.8388 -6.8388 -6.0734 -6.0734 -2.0875 -2.0875 -0.7481 -0.7481 -0.7164 -0.7164 0.7419 0.7419 0.8502 0.8502 1.1089 1.1089 2.3238 2.3238 2.5177 2.5177 2.6813 2.6813 2.8469 2.8469 3.4550 3.4550 3.5184 3.5184 3.5254 3.5254 3.7326 3.7326 3.8218 3.8218 4.1345 4.1345 4.1836 4.1836 4.1929 4.1929 4.2064 4.2064 4.6976 4.6976 4.7251 4.7251 5.2882 5.2882 6.8376 6.8376 6.9175 6.9175 8.5093 8.5093 8.7680 8.7680 10.0269 10.0269 10.3158 10.3158 10.4664 10.4664 k = 0.5000 0.2887 0.6034 ( 14480 PWs) bands (ev): -13.2283 -13.2283 -6.5883 -6.5883 -6.3607 -6.3607 -2.0751 -2.0751 -0.7527 -0.7527 -0.6472 -0.6472 0.8594 0.8594 1.2132 1.2132 1.3837 1.3837 1.9205 1.9205 2.4376 2.4376 2.5265 2.5265 2.5603 2.5603 2.8369 2.8369 3.3961 3.3961 3.4861 3.4861 3.6149 3.6149 4.0558 4.0558 4.1461 4.1461 4.2220 4.2220 4.3790 4.3790 4.4722 4.4722 4.7437 4.7437 5.1374 5.1374 5.4990 5.4990 5.9296 5.9296 6.2511 6.2511 9.2995 9.2995 9.7669 9.7669 9.9705 9.9705 10.7839 10.7839 11.6317 11.6317 k = 0.5000 0.2887 0.5839 ( 14496 PWs) bands (ev): -13.2283 -13.2283 -6.5886 -6.5886 -6.3605 -6.3605 -2.0751 -2.0751 -0.7526 -0.7526 -0.6473 -0.6473 0.8598 0.8598 1.2134 1.2134 1.3840 1.3840 1.9206 1.9206 2.4374 2.4374 2.5263 2.5263 2.5602 2.5602 2.8369 2.8369 3.3961 3.3961 3.4860 3.4860 3.6153 3.6153 4.0558 4.0558 4.1447 4.1447 4.2234 4.2234 4.3788 4.3788 4.4723 4.4723 4.7435 4.7435 5.1386 5.1386 5.4979 5.4979 5.9304 5.9304 6.2509 6.2509 9.2988 9.2988 9.7671 9.7671 9.9735 9.9735 10.7755 10.7755 11.6330 11.6330 k = 0.5000 0.2887 0.5644 ( 14496 PWs) bands (ev): -13.2284 -13.2284 -6.5897 -6.5897 -6.3599 -6.3599 -2.0748 -2.0748 -0.7520 -0.7520 -0.6475 -0.6475 0.8613 0.8613 1.2138 1.2138 1.3849 1.3849 1.9208 1.9208 2.4367 2.4367 2.5260 2.5260 2.5602 2.5602 2.8367 2.8367 3.3960 3.3960 3.4858 3.4858 3.6165 3.6165 4.0559 4.0559 4.1408 4.1408 4.2273 4.2273 4.3784 4.3784 4.4728 4.4728 4.7431 4.7431 5.1422 5.1422 5.4946 5.4946 5.9326 5.9326 6.2505 6.2505 9.2968 9.2968 9.7678 9.7678 9.9826 9.9826 10.7509 10.7509 11.6367 11.6367 k = 0.5000 0.2887 0.5450 ( 14502 PWs) bands (ev): -13.2285 -13.2285 -6.5914 -6.5914 -6.3589 -6.3589 -2.0745 -2.0745 -0.7512 -0.7512 -0.6479 -0.6479 0.8636 0.8636 1.2145 1.2145 1.3865 1.3865 1.9213 1.9213 2.4354 2.4354 2.5255 2.5255 2.5600 2.5600 2.8364 2.8364 3.3958 3.3958 3.4855 3.4855 3.6185 3.6185 4.0559 4.0559 4.1350 4.1350 4.2329 4.2329 4.3776 4.3776 4.4736 4.4736 4.7424 4.7424 5.1481 5.1481 5.4894 5.4894 5.9361 5.9361 6.2498 6.2498 9.2937 9.2937 9.7690 9.7690 9.9973 9.9973 10.7118 10.7118 11.6425 11.6425 k = 0.5000 0.2887 0.5255 ( 14492 PWs) bands (ev): -13.2286 -13.2286 -6.5937 -6.5937 -6.3577 -6.3577 -2.0740 -2.0740 -0.7500 -0.7500 -0.6484 -0.6484 0.8669 0.8669 1.2156 1.2156 1.3887 1.3887 1.9219 1.9219 2.4338 2.4338 2.5246 2.5246 2.5598 2.5598 2.8359 2.8359 3.3955 3.3955 3.4852 3.4852 3.6212 3.6212 4.0559 4.0559 4.1280 4.1280 4.2395 4.2395 4.3767 4.3767 4.4747 4.4747 4.7415 4.7415 5.1562 5.1562 5.4829 5.4829 5.9404 5.9404 6.2488 6.2488 9.2896 9.2896 9.7709 9.7709 10.0170 10.0170 10.6607 10.6607 11.6499 11.6499 k = 0.5000 0.2887 0.5060 ( 14488 PWs) bands (ev): -13.2287 -13.2287 -6.5967 -6.5967 -6.3560 -6.3560 -2.0734 -2.0734 -0.7485 -0.7485 -0.6489 -0.6489 0.8710 0.8710 1.2169 1.2169 1.3915 1.3915 1.9227 1.9227 2.4317 2.4317 2.5236 2.5236 2.5595 2.5595 2.8354 2.8354 3.3950 3.3950 3.4849 3.4849 3.6245 3.6245 4.0558 4.0558 4.1204 4.1204 4.2464 4.2464 4.3758 4.3758 4.4762 4.4762 4.7405 4.7405 5.1661 5.1661 5.4758 5.4758 5.9452 5.9452 6.2475 6.2475 9.2849 9.2849 9.7737 9.7737 10.0409 10.0409 10.6000 10.6000 11.6586 11.6586 k = 0.5000 0.2887 0.4866 ( 14498 PWs) bands (ev): -13.2289 -13.2289 -6.6001 -6.6001 -6.3542 -6.3542 -2.0726 -2.0726 -0.7468 -0.7468 -0.6495 -0.6495 0.8758 0.8758 1.2186 1.2186 1.3950 1.3950 1.9236 1.9236 2.4293 2.4293 2.5222 2.5222 2.5591 2.5591 2.8346 2.8346 3.3944 3.3944 3.4847 3.4847 3.6283 3.6283 4.0556 4.0556 4.1124 4.1124 4.2533 4.2533 4.3749 4.3749 4.4781 4.4781 4.7393 4.7393 5.1778 5.1778 5.4687 5.4687 5.9501 5.9501 6.2458 6.2458 9.2796 9.2796 9.7775 9.7775 10.0682 10.0682 10.5320 10.5320 11.6684 11.6684 k = 0.5000 0.2887 0.4671 ( 14506 PWs) bands (ev): -13.2290 -13.2290 -6.6040 -6.6040 -6.3521 -6.3521 -2.0717 -2.0717 -0.7448 -0.7448 -0.6501 -0.6501 0.8814 0.8814 1.2206 1.2206 1.3990 1.3990 1.9246 1.9246 2.4266 2.4266 2.5206 2.5206 2.5586 2.5586 2.8337 2.8337 3.3937 3.3937 3.4847 3.4847 3.6327 3.6327 4.0551 4.0551 4.1044 4.1044 4.2597 4.2597 4.3743 4.3743 4.4804 4.4804 4.7380 4.7380 5.1909 5.1909 5.4622 5.4622 5.9547 5.9547 6.2436 6.2436 9.2738 9.2738 9.7827 9.7827 10.0980 10.0980 10.4589 10.4589 11.6789 11.6789 k = 0.5000 0.2887 0.4477 ( 14510 PWs) bands (ev): -13.2293 -13.2293 -6.6083 -6.6083 -6.3498 -6.3498 -2.0708 -2.0708 -0.7428 -0.7428 -0.6506 -0.6506 0.8877 0.8877 1.2230 1.2230 1.4036 1.4036 1.9257 1.9257 2.4235 2.4235 2.5186 2.5186 2.5579 2.5579 2.8327 2.8327 3.3927 3.3927 3.4848 3.4848 3.6374 3.6374 4.0543 4.0543 4.0965 4.0965 4.2653 4.2653 4.3741 4.3741 4.4831 4.4831 4.7367 4.7367 5.2050 5.2050 5.4570 5.4570 5.9586 5.9586 6.2409 6.2409 9.2673 9.2673 9.7894 9.7894 10.1292 10.1292 10.3826 10.3826 11.6895 11.6895 k = 0.5000 0.2887 0.4282 ( 14518 PWs) bands (ev): -13.2295 -13.2295 -6.6130 -6.6130 -6.3474 -6.3474 -2.0697 -2.0697 -0.7407 -0.7407 -0.6510 -0.6510 0.8945 0.8945 1.2257 1.2257 1.4088 1.4088 1.9269 1.9269 2.4202 2.4202 2.5164 2.5164 2.5571 2.5571 2.8314 2.8314 3.3917 3.3917 3.4851 3.4851 3.6426 3.6426 4.0528 4.0528 4.0889 4.0889 4.2699 4.2699 4.3744 4.3744 4.4863 4.4863 4.7355 4.7355 5.2199 5.2199 5.4537 5.4537 5.9618 5.9618 6.2377 6.2377 9.2599 9.2599 9.7981 9.7981 10.1603 10.1603 10.3051 10.3051 11.6981 11.6981 k = 0.5000 0.2887 0.4087 ( 14506 PWs) bands (ev): -13.2297 -13.2297 -6.6179 -6.6179 -6.3449 -6.3449 -2.0686 -2.0686 -0.7386 -0.7386 -0.6512 -0.6512 0.9017 0.9017 1.2289 1.2289 1.4145 1.4145 1.9282 1.9282 2.4166 2.4166 2.5139 2.5139 2.5562 2.5562 2.8300 2.8300 3.3906 3.3906 3.4854 3.4854 3.6481 3.6481 4.0505 4.0505 4.0820 4.0820 4.2736 4.2736 4.3753 4.3753 4.4899 4.4899 4.7344 4.7344 5.2352 5.2352 5.4528 5.4528 5.9641 5.9641 6.2340 6.2340 9.2508 9.2508 9.8089 9.8089 10.1856 10.1856 10.2326 10.2326 11.6978 11.6978 k = 0.5000 0.2887 0.3893 ( 14520 PWs) bands (ev): -13.2300 -13.2300 -6.6231 -6.6231 -6.3424 -6.3424 -2.0674 -2.0674 -0.7367 -0.7367 -0.6511 -0.6511 0.9093 0.9093 1.2325 1.2325 1.4207 1.4207 1.9295 1.9295 2.4128 2.4128 2.5112 2.5112 2.5550 2.5550 2.8285 2.8285 3.3894 3.3894 3.4858 3.4858 3.6538 3.6538 4.0469 4.0469 4.0760 4.0760 4.2762 4.2762 4.3768 4.3768 4.4938 4.4938 4.7335 4.7335 5.2505 5.2505 5.4547 5.4547 5.9655 5.9655 6.2298 6.2298 9.2396 9.2396 9.8219 9.8219 10.1419 10.1419 10.2288 10.2288 11.6689 11.6689 k = 0.5000 0.2887 0.3698 ( 14524 PWs) bands (ev): -13.2303 -13.2303 -6.6284 -6.6284 -6.3399 -6.3399 -2.0662 -2.0662 -0.7349 -0.7349 -0.6506 -0.6506 0.9171 0.9171 1.2365 1.2365 1.4274 1.4274 1.9309 1.9309 2.4089 2.4089 2.5083 2.5083 2.5535 2.5535 2.8269 2.8269 3.3882 3.3882 3.4862 3.4862 3.6598 3.6598 4.0419 4.0419 4.0711 4.0711 4.2781 4.2781 4.3788 4.3788 4.4982 4.4982 4.7328 4.7328 5.2655 5.2655 5.4595 5.4595 5.9661 5.9661 6.2250 6.2250 9.2251 9.2251 9.8373 9.8373 10.0691 10.0691 10.2544 10.2544 11.6104 11.6104 k = 0.5000 0.2887 0.3503 ( 14504 PWs) bands (ev): -13.2306 -13.2306 -6.6337 -6.6337 -6.3374 -6.3374 -2.0649 -2.0649 -0.7335 -0.7335 -0.6497 -0.6497 0.9250 0.9250 1.2410 1.2410 1.4344 1.4344 1.9323 1.9323 2.4047 2.4047 2.5052 2.5052 2.5518 2.5518 2.8251 2.8251 3.3871 3.3871 3.4865 3.4865 3.6661 3.6661 4.0354 4.0354 4.0672 4.0672 4.2795 4.2795 4.3811 4.3811 4.5028 4.5028 4.7325 4.7325 5.2801 5.2801 5.4673 5.4673 5.9658 5.9658 6.2196 6.2196 9.2066 9.2066 9.8542 9.8542 9.9997 9.9997 10.2781 10.2781 11.5449 11.5449 k = 0.5000 0.2887 0.3309 ( 14510 PWs) bands (ev): -13.2309 -13.2309 -6.6391 -6.6391 -6.3349 -6.3349 -2.0637 -2.0637 -0.7323 -0.7323 -0.6484 -0.6484 0.9330 0.9330 1.2460 1.2460 1.4417 1.4417 1.9337 1.9337 2.4004 2.4004 2.5020 2.5020 2.5498 2.5498 2.8233 2.8233 3.3860 3.3860 3.4865 3.4865 3.6725 3.6725 4.0277 4.0277 4.0641 4.0641 4.2806 4.2806 4.3836 4.3836 4.5075 4.5075 4.7325 4.7325 5.2941 5.2941 5.4780 5.4780 5.9651 5.9651 6.2138 6.2138 9.1828 9.1828 9.8673 9.8673 9.9417 9.9417 10.2976 10.2976 11.4822 11.4822 k = 0.5000 0.2887 0.3114 ( 14526 PWs) bands (ev): -13.2312 -13.2312 -6.6445 -6.6445 -6.3325 -6.3325 -2.0624 -2.0624 -0.7316 -0.7316 -0.6466 -0.6466 0.9408 0.9408 1.2514 1.2514 1.4492 1.4492 1.9351 1.9351 2.3958 2.3958 2.4987 2.4987 2.5476 2.5476 2.8214 2.8214 3.3851 3.3851 3.4864 3.4864 3.6792 3.6792 4.0190 4.0190 4.0614 4.0614 4.2817 4.2817 4.3862 4.3862 4.5123 4.5123 4.7331 4.7331 5.3074 5.3074 5.4911 5.4911 5.9640 5.9640 6.2075 6.2075 9.1531 9.1531 9.8477 9.8477 9.9254 9.9254 10.3119 10.3119 11.4252 11.4252 k = 0.5000 0.2887 0.2919 ( 14518 PWs) bands (ev): -13.2315 -13.2315 -6.6498 -6.6498 -6.3302 -6.3302 -2.0612 -2.0612 -0.7312 -0.7312 -0.6443 -0.6443 0.9485 0.9485 1.2574 1.2574 1.4568 1.4568 1.9366 1.9366 2.3911 2.3911 2.4954 2.4954 2.5452 2.5452 2.8196 2.8196 3.3843 3.3843 3.4859 3.4859 3.6859 3.6859 4.0096 4.0096 4.0590 4.0590 4.2829 4.2829 4.3888 4.3888 4.5170 4.5170 4.7341 4.7341 5.3200 5.3200 5.5064 5.5064 5.9628 5.9628 6.2009 6.2009 9.1170 9.1170 9.8006 9.8006 9.9466 9.9466 10.3202 10.3202 11.3755 11.3755 k = 0.5000 0.2887 0.2725 ( 14530 PWs) bands (ev): -13.2318 -13.2318 -6.6549 -6.6549 -6.3280 -6.3280 -2.0599 -2.0599 -0.7313 -0.7313 -0.6416 -0.6416 0.9559 0.9559 1.2638 1.2638 1.4644 1.4644 1.9380 1.9380 2.3861 2.3861 2.4921 2.4921 2.5425 2.5425 2.8178 2.8178 3.3837 3.3837 3.4852 3.4852 3.6928 3.6928 3.9995 3.9995 4.0568 4.0568 4.2845 4.2845 4.3914 4.3914 4.5215 4.5215 4.7357 4.7357 5.3320 5.3320 5.5233 5.5233 5.9619 5.9619 6.1940 6.1940 9.0745 9.0745 9.7541 9.7541 9.9772 9.9772 10.3223 10.3223 11.3333 11.3333 k = 0.5000 0.2887 0.2530 ( 14528 PWs) bands (ev): -13.2321 -13.2321 -6.6599 -6.6599 -6.3259 -6.3259 -2.0587 -2.0587 -0.7316 -0.7316 -0.6385 -0.6385 0.9630 0.9630 1.2707 1.2707 1.4718 1.4718 1.9395 1.9395 2.3809 2.3809 2.4889 2.4889 2.5397 2.5397 2.8161 2.8161 3.3834 3.3834 3.4841 3.4841 3.6998 3.6998 3.9890 3.9890 4.0548 4.0548 4.2865 4.2865 4.3939 4.3939 4.5256 4.5256 4.7378 4.7378 5.3432 5.3432 5.5412 5.5412 5.9614 5.9614 6.1869 6.1869 9.0264 9.0264 9.7128 9.7128 10.0123 10.0123 10.3185 10.3185 11.2986 11.2986 k = 0.5000 0.2887 0.2336 ( 14534 PWs) bands (ev): -13.2324 -13.2324 -6.6647 -6.6647 -6.3239 -6.3239 -2.0576 -2.0576 -0.7322 -0.7322 -0.6352 -0.6352 0.9696 0.9696 1.2779 1.2779 1.4790 1.4790 1.9411 1.9411 2.3754 2.3754 2.4859 2.4859 2.5367 2.5367 2.8145 2.8145 3.3832 3.3832 3.4827 3.4827 3.7070 3.7070 3.9779 3.9779 4.0530 4.0530 4.2888 4.2888 4.3964 4.3964 4.5293 4.5293 4.7405 4.7405 5.3536 5.3536 5.5598 5.5598 5.9615 5.9615 6.1799 6.1799 8.9737 8.9737 9.6769 9.6769 10.0509 10.0509 10.3096 10.3096 11.2708 11.2708 k = 0.5000 0.2887 0.2141 ( 14530 PWs) bands (ev): -13.2327 -13.2327 -6.6692 -6.6692 -6.3221 -6.3221 -2.0565 -2.0565 -0.7330 -0.7330 -0.6317 -0.6317 0.9758 0.9758 1.2855 1.2855 1.4858 1.4858 1.9426 1.9426 2.3696 2.3696 2.4832 2.4832 2.5337 2.5337 2.8130 2.8130 3.3833 3.3833 3.4809 3.4809 3.7141 3.7141 3.9666 3.9666 4.0513 4.0513 4.2915 4.2915 4.3987 4.3987 4.5326 4.5326 4.7437 4.7437 5.3630 5.3630 5.5785 5.5785 5.9625 5.9625 6.1732 6.1732 8.9180 8.9180 9.6457 9.6457 10.0918 10.0918 10.2974 10.2974 11.2489 11.2489 k = 0.5000 0.2887 0.1946 ( 14522 PWs) bands (ev): -13.2329 -13.2329 -6.6735 -6.6735 -6.3205 -6.3205 -2.0555 -2.0555 -0.7340 -0.7340 -0.6282 -0.6282 0.9814 0.9814 1.2932 1.2932 1.4922 1.4922 1.9443 1.9443 2.3637 2.3637 2.4808 2.4808 2.5306 2.5306 2.8117 2.8117 3.3836 3.3836 3.4789 3.4789 3.7214 3.7214 3.9550 3.9550 4.0499 4.0499 4.2945 4.2945 4.4010 4.4010 4.5354 4.5354 4.7473 4.7473 5.3713 5.3713 5.5971 5.5971 5.9642 5.9642 6.1668 6.1668 8.8610 8.8610 9.6187 9.6187 10.1325 10.1325 10.2851 10.2851 11.2319 11.2319 k = 0.5000 0.2887 0.1752 ( 14524 PWs) bands (ev): -13.2332 -13.2332 -6.6774 -6.6774 -6.3189 -6.3189 -2.0545 -2.0545 -0.7351 -0.7351 -0.6246 -0.6246 0.9865 0.9865 1.3011 1.3011 1.4979 1.4979 1.9460 1.9460 2.3576 2.3576 2.4787 2.4787 2.5275 2.5275 2.8105 2.8105 3.3842 3.3842 3.4766 3.4766 3.7287 3.7287 3.9433 3.9433 4.0486 4.0486 4.2976 4.2976 4.4032 4.4032 4.5376 4.5376 4.7511 4.7511 5.3783 5.3783 5.6151 5.6151 5.9666 5.9666 6.1611 6.1611 8.8041 8.8041 9.5951 9.5951 10.1665 10.1665 10.2802 10.2802 11.2186 11.2186 k = 0.5000 0.2887 0.1557 ( 14516 PWs) bands (ev): -13.2334 -13.2334 -6.6810 -6.6810 -6.3176 -6.3176 -2.0537 -2.0537 -0.7362 -0.7362 -0.6212 -0.6212 0.9911 0.9911 1.3090 1.3090 1.5030 1.5030 1.9477 1.9477 2.3515 2.3515 2.4771 2.4771 2.5245 2.5245 2.8095 2.8095 3.3850 3.3850 3.4741 3.4741 3.7360 3.7360 3.9316 3.9316 4.0476 4.0476 4.3008 4.3008 4.4053 4.4053 4.5395 4.5395 4.7552 4.7552 5.3842 5.3842 5.6324 5.6324 5.9693 5.9693 6.1564 6.1564 8.7490 8.7490 9.5744 9.5744 10.1808 10.1808 10.2964 10.2964 11.2082 11.2082 k = 0.5000 0.2887 0.1362 ( 14518 PWs) bands (ev): -13.2336 -13.2336 -6.6843 -6.6843 -6.3164 -6.3164 -2.0529 -2.0529 -0.7372 -0.7372 -0.6180 -0.6180 0.9951 0.9951 1.3166 1.3166 1.5073 1.5073 1.9494 1.9494 2.3455 2.3455 2.4758 2.4758 2.5216 2.5216 2.8086 2.8086 3.3859 3.3859 3.4716 3.4716 3.7433 3.7433 3.9202 3.9202 4.0467 4.0467 4.3039 4.3039 4.4073 4.4073 4.5409 4.5409 4.7594 4.7594 5.3887 5.3887 5.6486 5.6486 5.9720 5.9720 6.1528 6.1528 8.6969 8.6969 9.5564 9.5564 10.1744 10.1744 10.3352 10.3352 11.1998 11.1998 k = 0.5000 0.2887 0.1168 ( 14514 PWs) bands (ev): -13.2338 -13.2338 -6.6871 -6.6871 -6.3153 -6.3153 -2.0522 -2.0522 -0.7383 -0.7383 -0.6151 -0.6151 0.9985 0.9985 1.3238 1.3238 1.5110 1.5110 1.9511 1.9511 2.3398 2.3398 2.4749 2.4749 2.5188 2.5188 2.8079 2.8079 3.3870 3.3870 3.4690 3.4690 3.7506 3.7506 3.9091 3.9091 4.0460 4.0460 4.3068 4.3068 4.4091 4.4091 4.5419 4.5419 4.7634 4.7634 5.3921 5.3921 5.6634 5.6634 5.9744 5.9744 6.1506 6.1506 8.6490 8.6490 9.5408 9.5408 10.1598 10.1598 10.3841 10.3841 11.1928 11.1928 k = 0.5000 0.2887 0.0973 ( 14506 PWs) bands (ev): -13.2340 -13.2340 -6.6896 -6.6896 -6.3144 -6.3144 -2.0517 -2.0517 -0.7392 -0.7392 -0.6125 -0.6125 1.0014 1.0014 1.3304 1.3304 1.5139 1.5139 1.9527 1.9527 2.3345 2.3345 2.4743 2.4743 2.5163 2.5163 2.8074 2.8074 3.3882 3.3882 3.4664 3.4664 3.7576 3.7576 3.8986 3.8986 4.0455 4.0455 4.3095 4.3095 4.4107 4.4107 4.5427 4.5427 4.7671 4.7671 5.3945 5.3945 5.6767 5.6767 5.9762 5.9762 6.1496 6.1496 8.6065 8.6065 9.5276 9.5276 10.1435 10.1435 10.4359 10.4359 11.1867 11.1867 k = 0.5000 0.2887 0.0779 ( 14492 PWs) bands (ev): -13.2341 -13.2341 -6.6916 -6.6916 -6.3137 -6.3137 -2.0512 -2.0512 -0.7400 -0.7400 -0.6103 -0.6103 1.0037 1.0037 1.3363 1.3363 1.5161 1.5161 1.9542 1.9542 2.3299 2.3299 2.4740 2.4740 2.5141 2.5141 2.8069 2.8069 3.3893 3.3893 3.4641 3.4641 3.7643 3.7643 3.8889 3.8889 4.0451 4.0451 4.3117 4.3117 4.4122 4.4122 4.5432 4.5432 4.7704 4.7704 5.3961 5.3961 5.6882 5.6882 5.9772 5.9772 6.1497 6.1497 8.5704 8.5704 9.5167 9.5167 10.1285 10.1285 10.4867 10.4867 11.1812 11.1812 k = 0.5000 0.2887 0.0584 ( 14482 PWs) bands (ev): -13.2342 -13.2342 -6.6932 -6.6932 -6.3132 -6.3132 -2.0508 -2.0508 -0.7406 -0.7406 -0.6086 -0.6086 1.0055 1.0055 1.3410 1.3410 1.5177 1.5177 1.9554 1.9554 2.3260 2.3260 2.4739 2.4739 2.5123 2.5123 2.8066 2.8066 3.3903 3.3903 3.4621 3.4621 3.7704 3.7704 3.8805 3.8805 4.0449 4.0449 4.3136 4.3136 4.4133 4.4133 4.5436 4.5436 4.7732 4.7732 5.3971 5.3971 5.6975 5.6975 5.9776 5.9776 6.1506 6.1506 8.5413 8.5413 9.5081 9.5081 10.1158 10.1158 10.5330 10.5330 11.1761 11.1761 k = 0.5000 0.2887 0.0389 ( 14486 PWs) bands (ev): -13.2343 -13.2343 -6.6943 -6.6943 -6.3128 -6.3128 -2.0505 -2.0505 -0.7411 -0.7411 -0.6073 -0.6073 1.0068 1.0068 1.3446 1.3446 1.5187 1.5187 1.9564 1.9564 2.3232 2.3232 2.4739 2.4739 2.5109 2.5109 2.8063 2.8063 3.3912 3.3912 3.4606 3.4606 3.7753 3.7753 3.8738 3.8738 4.0447 4.0447 4.3149 4.3149 4.4142 4.4142 4.5438 4.5438 4.7752 4.7752 5.3976 5.3976 5.7044 5.7044 5.9776 5.9776 6.1516 6.1516 8.5201 8.5201 9.5020 9.5020 10.1064 10.1064 10.5709 10.5709 11.1716 11.1716 k = 0.5000 0.2887 0.0195 ( 14488 PWs) bands (ev): -13.2343 -13.2343 -6.6950 -6.6950 -6.3125 -6.3125 -2.0504 -2.0504 -0.7413 -0.7413 -0.6065 -0.6065 1.0076 1.0076 1.3468 1.3468 1.5193 1.5193 1.9570 1.9570 2.3214 2.3214 2.4739 2.4739 2.5101 2.5101 2.8062 2.8062 3.3917 3.3917 3.4596 3.4596 3.7787 3.7787 3.8694 3.8694 4.0446 4.0446 4.3157 4.3157 4.4148 4.4148 4.5439 4.5439 4.7765 4.7765 5.3979 5.3979 5.7086 5.7086 5.9774 5.9774 6.1524 6.1524 8.5071 8.5071 9.4983 9.4983 10.1006 10.1006 10.5961 10.5961 11.1682 11.1682 k = 0.5000 0.2887-0.0000 ( 14482 PWs) bands (ev): -13.2344 -13.2344 -6.6953 -6.6953 -6.3124 -6.3124 -2.0503 -2.0503 -0.7414 -0.7414 -0.6063 -0.6063 1.0078 1.0078 1.3476 1.3476 1.5195 1.5195 1.9572 1.9572 2.3208 2.3208 2.4739 2.4739 2.5098 2.5098 2.8062 2.8062 3.3919 3.3919 3.4592 3.4592 3.7798 3.7798 3.8678 3.8678 4.0445 4.0445 4.3160 4.3160 4.4149 4.4149 4.5439 4.5439 4.7769 4.7769 5.3979 5.3979 5.7101 5.7101 5.9773 5.9773 6.1528 6.1528 8.5028 8.5028 9.4971 9.4971 10.0986 10.0986 10.6050 10.6050 11.1669 11.1669 k = 0.3333 0.5774-0.0000 ( 14529 PWs) bands (ev): -13.2338 -13.2338 -6.5132 -6.5132 -6.5124 -6.5124 -2.0370 -2.0370 -0.6823 -0.6823 -0.6093 -0.6093 0.9529 0.9529 1.4121 1.4121 1.5295 1.5295 2.0242 2.0242 2.2199 2.2199 2.2382 2.2382 2.7713 2.7713 2.7929 2.7929 3.3466 3.3466 3.4427 3.4427 3.6199 3.6199 4.0473 4.0473 4.1839 4.1839 4.3437 4.3437 4.3472 4.3472 4.5941 4.5941 4.9618 4.9618 5.0755 5.0755 5.7350 5.7350 5.8140 5.8140 6.0489 6.0489 9.1658 9.1658 9.3664 9.3664 9.4335 9.4335 10.7271 10.7271 11.2954 11.2954 k = 0.3333 0.5774 0.0195 ( 14556 PWs) bands (ev): -13.2338 -13.2338 -6.5131 -6.5131 -6.5123 -6.5123 -2.0371 -2.0371 -0.6824 -0.6824 -0.6097 -0.6097 0.9534 0.9534 1.4117 1.4117 1.5290 1.5290 2.0241 2.0241 2.2199 2.2199 2.2384 2.2384 2.7711 2.7711 2.7931 2.7931 3.3466 3.3466 3.4432 3.4432 3.6197 3.6197 4.0475 4.0475 4.1828 4.1828 4.3438 4.3438 4.3473 4.3473 4.5943 4.5943 4.9607 4.9607 5.0760 5.0760 5.7353 5.7353 5.8130 5.8130 6.0487 6.0487 9.1677 9.1677 9.3700 9.3700 9.4371 9.4371 10.7277 10.7277 11.2902 11.2902 k = 0.3333 0.5774 0.0389 ( 14547 PWs) bands (ev): -13.2338 -13.2338 -6.5128 -6.5128 -6.5120 -6.5120 -2.0375 -2.0375 -0.6825 -0.6825 -0.6108 -0.6108 0.9546 0.9546 1.4106 1.4106 1.5276 1.5276 2.0237 2.0237 2.2199 2.2199 2.2389 2.2389 2.7705 2.7705 2.7936 2.7936 3.3467 3.3467 3.4446 3.4446 3.6191 3.6191 4.0483 4.0483 4.1793 4.1793 4.3440 4.3440 4.3478 4.3478 4.5947 4.5947 4.9575 4.9575 5.0774 5.0774 5.7362 5.7362 5.8099 5.8099 6.0481 6.0481 9.1735 9.1735 9.3808 9.3808 9.4478 9.4478 10.7296 10.7296 11.2748 11.2748 k = 0.3333 0.5774 0.0584 ( 14529 PWs) bands (ev): -13.2337 -13.2337 -6.5123 -6.5123 -6.5116 -6.5116 -2.0380 -2.0380 -0.6828 -0.6828 -0.6127 -0.6127 0.9568 0.9568 1.4088 1.4088 1.5253 1.5253 2.0230 2.0230 2.2199 2.2199 2.2397 2.2397 2.7695 2.7695 2.7943 2.7943 3.3469 3.3469 3.4469 3.4469 3.6181 3.6181 4.0494 4.0494 4.1738 4.1738 4.3444 4.3444 4.3484 4.3484 4.5955 4.5955 4.9523 4.9523 5.0798 5.0798 5.7378 5.7378 5.8048 5.8048 6.0472 6.0472 9.1832 9.1832 9.3987 9.3987 9.4654 9.4654 10.7327 10.7327 11.2501 11.2501 k = 0.3333 0.5774 0.0779 ( 14541 PWs) bands (ev): -13.2336 -13.2336 -6.5117 -6.5117 -6.5109 -6.5109 -2.0388 -2.0388 -0.6832 -0.6832 -0.6153 -0.6153 0.9597 0.9597 1.4062 1.4062 1.5220 1.5220 2.0221 2.0221 2.2199 2.2199 2.2408 2.2408 2.7682 2.7682 2.7954 2.7954 3.3472 3.3472 3.4500 3.4500 3.6167 3.6167 4.0509 4.0509 4.1664 4.1664 4.3448 4.3448 4.3491 4.3491 4.5966 4.5966 4.9451 4.9451 5.0830 5.0830 5.7399 5.7399 5.7979 5.7979 6.0459 6.0459 9.1966 9.1966 9.4235 9.4235 9.4897 9.4897 10.7372 10.7372 11.2173 11.2173 k = 0.3333 0.5774 0.0973 ( 14541 PWs) bands (ev): -13.2335 -13.2335 -6.5108 -6.5108 -6.5101 -6.5101 -2.0397 -2.0397 -0.6838 -0.6838 -0.6186 -0.6186 0.9634 0.9634 1.4031 1.4031 1.5180 1.5180 2.0209 2.0209 2.2198 2.2198 2.2421 2.2421 2.7665 2.7665 2.7968 2.7968 3.3477 3.3477 3.4539 3.4539 3.6149 3.6149 4.0526 4.0526 4.1574 4.1574 4.3454 4.3454 4.3497 4.3497 4.5981 4.5981 4.9360 4.9360 5.0869 5.0869 5.7428 5.7428 5.7891 5.7891 6.0445 6.0445 9.2135 9.2135 9.4549 9.4549 9.5204 9.5204 10.7429 10.7429 11.1778 11.1778 k = 0.3333 0.5774 0.1168 ( 14529 PWs) bands (ev): -13.2333 -13.2333 -6.5098 -6.5098 -6.5091 -6.5091 -2.0409 -2.0409 -0.6844 -0.6844 -0.6225 -0.6225 0.9678 0.9678 1.3995 1.3995 1.5131 1.5131 2.0195 2.0195 2.2198 2.2198 2.2437 2.2437 2.7646 2.7646 2.7984 2.7984 3.3483 3.3483 3.4585 3.4585 3.6128 3.6128 4.0542 4.0542 4.1474 4.1474 4.3460 4.3460 4.3501 4.3501 4.5999 4.5999 4.9254 4.9254 5.0915 5.0915 5.7464 5.7464 5.7786 5.7786 6.0429 6.0429 9.2339 9.2339 9.4925 9.4925 9.5572 9.5572 10.7500 10.7500 11.1333 11.1333 k = 0.3333 0.5774 0.1362 ( 14517 PWs) bands (ev): -13.2331 -13.2331 -6.5087 -6.5087 -6.5080 -6.5080 -2.0422 -2.0422 -0.6851 -0.6851 -0.6270 -0.6270 0.9728 0.9728 1.3954 1.3954 1.5075 1.5075 2.0179 2.0179 2.2197 2.2197 2.2454 2.2454 2.7623 2.7623 2.8003 2.8003 3.3491 3.3491 3.4637 3.4637 3.6104 3.6104 4.0552 4.0552 4.1369 4.1369 4.3467 4.3467 4.3503 4.3503 4.6021 4.6021 4.9134 4.9134 5.0965 5.0965 5.7507 5.7507 5.7666 5.7666 6.0414 6.0414 9.2575 9.2575 9.5361 9.5361 9.5994 9.5994 10.7582 10.7582 11.0853 11.0853 k = 0.3333 0.5774 0.1557 ( 14526 PWs) bands (ev): -13.2329 -13.2329 -6.5074 -6.5074 -6.5067 -6.5067 -2.0437 -2.0437 -0.6860 -0.6860 -0.6321 -0.6321 0.9783 0.9783 1.3910 1.3910 1.5013 1.5013 2.0160 2.0160 2.2196 2.2196 2.2473 2.2473 2.7598 2.7598 2.8024 2.8024 3.3501 3.3501 3.4693 3.4693 3.6077 3.6077 4.0548 4.0548 4.1269 4.1269 4.3473 4.3473 4.3501 4.3501 4.6047 4.6047 4.9001 4.9001 5.1017 5.1017 5.7531 5.7531 5.7557 5.7557 6.0401 6.0401 9.2841 9.2841 9.5850 9.5850 9.6466 9.6466 10.7672 10.7672 11.0359 11.0359 k = 0.3333 0.5774 0.1752 ( 14544 PWs) bands (ev): -13.2327 -13.2327 -6.5060 -6.5060 -6.5052 -6.5052 -2.0454 -2.0454 -0.6869 -0.6869 -0.6376 -0.6376 0.9843 0.9843 1.3864 1.3864 1.4945 1.4945 2.0139 2.0139 2.2194 2.2194 2.2492 2.2492 2.7571 2.7571 2.8047 2.8047 3.3514 3.3514 3.4754 3.4754 3.6048 3.6048 4.0517 4.0517 4.1187 4.1187 4.3479 4.3479 4.3496 4.3496 4.6076 4.6076 4.8859 4.8859 5.1072 5.1072 5.7384 5.7384 5.7616 5.7616 6.0392 6.0392 9.3134 9.3134 9.6387 9.6387 9.6979 9.6979 10.7756 10.7756 10.9875 10.9875 k = 0.3333 0.5774 0.1946 ( 14538 PWs) bands (ev): -13.2324 -13.2324 -6.5044 -6.5044 -6.5037 -6.5037 -2.0472 -2.0472 -0.6879 -0.6879 -0.6436 -0.6436 0.9906 0.9906 1.3818 1.3818 1.4873 1.4873 2.0116 2.0116 2.2192 2.2192 2.2511 2.2511 2.7543 2.7543 2.8071 2.8071 3.3531 3.3531 3.4817 3.4817 3.6016 3.6016 4.0448 4.0448 4.1138 4.1138 4.3484 4.3484 4.3486 4.3486 4.6109 4.6109 4.8711 4.8711 5.1126 5.1126 5.7225 5.7225 5.7683 5.7683 6.0388 6.0388 9.3451 9.3451 9.6965 9.6965 9.7524 9.7524 10.7802 10.7802 10.9448 10.9448 k = 0.3333 0.5774 0.2141 ( 14529 PWs) bands (ev): -13.2322 -13.2322 -6.5028 -6.5028 -6.5020 -6.5020 -2.0491 -2.0491 -0.6890 -0.6890 -0.6499 -0.6499 0.9972 0.9972 1.3772 1.3772 1.4796 1.4796 2.0091 2.0091 2.2190 2.2190 2.2530 2.2530 2.7513 2.7513 2.8097 2.8097 3.3551 3.3551 3.4882 3.4882 3.5982 3.5982 4.0338 4.0338 4.1125 4.1125 4.3473 4.3473 4.3487 4.3487 4.6144 4.6144 4.8558 4.8558 5.1179 5.1179 5.7057 5.7057 5.7758 5.7758 6.0390 6.0390 9.3788 9.3788 9.7576 9.7576 9.8090 9.8090 10.7741 10.7741 10.9162 10.9162 k = 0.3333 0.5774 0.2336 ( 14541 PWs) bands (ev): -13.2319 -13.2319 -6.5010 -6.5010 -6.5003 -6.5003 -2.0511 -2.0511 -0.6902 -0.6902 -0.6564 -0.6564 1.0038 1.0038 1.3729 1.3729 1.4717 1.4717 2.0065 2.0065 2.2187 2.2187 2.2548 2.2548 2.7482 2.7482 2.8123 2.8123 3.3575 3.3575 3.4947 3.4947 3.5947 3.5947 4.0195 4.0195 4.1140 4.1140 4.3456 4.3456 4.3488 4.3488 4.6182 4.6182 4.8403 4.8403 5.1228 5.1228 5.6881 5.6881 5.7840 5.7840 6.0401 6.0401 9.4143 9.4143 9.8207 9.8207 9.8664 9.8664 10.7508 10.7508 10.8932 10.8932 k = 0.3333 0.5774 0.2530 ( 14547 PWs) bands (ev): -13.2316 -13.2316 -6.4992 -6.4992 -6.4985 -6.4985 -2.0533 -2.0533 -0.6914 -0.6914 -0.6632 -0.6632 1.0104 1.0104 1.3689 1.3689 1.4636 1.4636 2.0037 2.0037 2.2183 2.2183 2.2565 2.2565 2.7451 2.7451 2.8151 2.8151 3.3603 3.3603 3.5012 3.5012 3.5911 3.5911 4.0030 4.0030 4.1173 4.1173 4.3436 4.3436 4.3486 4.3486 4.6221 4.6221 4.8249 4.8249 5.1274 5.1274 5.6698 5.6698 5.7930 5.7930 6.0421 6.0421 9.4510 9.4510 9.8845 9.8845 9.9225 9.9225 10.7159 10.7159 10.8499 10.8499 k = 0.3333 0.5774 0.2725 ( 14517 PWs) bands (ev): -13.2313 -13.2313 -6.4974 -6.4974 -6.4966 -6.4966 -2.0555 -2.0555 -0.6926 -0.6926 -0.6701 -0.6701 1.0168 1.0168 1.3653 1.3653 1.4553 1.4553 2.0007 2.0007 2.2180 2.2180 2.2581 2.2581 2.7420 2.7420 2.8178 2.8178 3.3636 3.3636 3.5076 3.5076 3.5874 3.5874 3.9851 3.9851 4.1218 4.1218 4.3413 4.3413 4.3481 4.3481 4.6262 4.6262 4.8099 4.8099 5.1314 5.1314 5.6512 5.6512 5.8027 5.8027 6.0450 6.0450 9.4887 9.4887 9.9467 9.9467 9.9751 9.9751 10.6791 10.6791 10.8140 10.8140 k = 0.3333 0.5774 0.2919 ( 14517 PWs) bands (ev): -13.2310 -13.2310 -6.4955 -6.4955 -6.4948 -6.4948 -2.0577 -2.0577 -0.6939 -0.6939 -0.6771 -0.6771 1.0229 1.0229 1.3624 1.3624 1.4470 1.4470 1.9976 1.9976 2.2175 2.2175 2.2596 2.2596 2.7389 2.7389 2.8206 2.8206 3.3674 3.3674 3.5137 3.5137 3.5837 3.5837 3.9664 3.9664 4.1271 4.1271 4.3388 4.3388 4.3473 4.3473 4.6303 4.6303 4.7953 4.7953 5.1348 5.1348 5.6322 5.6322 5.8130 5.8130 6.0490 6.0490 9.5270 9.5270 10.0043 10.0043 10.0210 10.0210 10.6477 10.6477 10.7883 10.7883 k = 0.3333 0.5774 0.3114 ( 14511 PWs) bands (ev): -13.2307 -13.2307 -6.4936 -6.4936 -6.4929 -6.4929 -2.0600 -2.0600 -0.6952 -0.6952 -0.6840 -0.6840 1.0286 1.0286 1.3601 1.3601 1.4388 1.4388 1.9945 1.9945 2.2171 2.2171 2.2609 2.2609 2.7358 2.7358 2.8233 2.8233 3.3717 3.3717 3.5196 3.5196 3.5799 3.5799 3.9471 3.9471 4.1328 4.1328 4.3360 4.3360 4.3462 4.3462 4.6344 4.6344 4.7815 4.7815 5.1375 5.1375 5.6133 5.6133 5.8239 5.8239 6.0539 6.0539 9.5653 9.5653 10.0530 10.0530 10.0569 10.0569 10.6275 10.6275 10.7763 10.7763 k = 0.3333 0.5774 0.3309 ( 14493 PWs) bands (ev): -13.2304 -13.2304 -6.4917 -6.4917 -6.4910 -6.4910 -2.0622 -2.0622 -0.6965 -0.6965 -0.6909 -0.6909 1.0337 1.0337 1.3586 1.3586 1.4307 1.4307 1.9912 1.9912 2.2165 2.2165 2.2621 2.2621 2.7329 2.7329 2.8259 2.8259 3.3764 3.3764 3.5251 3.5251 3.5761 3.5761 3.9277 3.9277 4.1387 4.1387 4.3331 4.3331 4.3447 4.3447 4.6384 4.6384 4.7685 4.7685 5.1395 5.1395 5.5945 5.5945 5.8352 5.8352 6.0598 6.0598 9.6034 9.6034 10.0800 10.0800 10.0877 10.0877 10.6243 10.6243 10.7808 10.7808 k = 0.3333 0.5774 0.3503 ( 14472 PWs) bands (ev): -13.2301 -13.2301 -6.4898 -6.4898 -6.4891 -6.4891 -2.0644 -2.0644 -0.6978 -0.6978 -0.6976 -0.6976 1.0383 1.0383 1.3579 1.3579 1.4228 1.4228 1.9879 1.9879 2.2160 2.2160 2.2631 2.2631 2.7300 2.7300 2.8285 2.8285 3.3817 3.3817 3.5302 3.5302 3.5724 3.5724 3.9083 3.9083 4.1448 4.1448 4.3301 4.3301 4.3428 4.3428 4.6424 4.6424 4.7565 4.7565 5.1408 5.1408 5.5761 5.5761 5.8468 5.8468 6.0664 6.0664 9.6408 9.6408 10.0890 10.0890 10.1049 10.1049 10.6420 10.6420 10.8029 10.8029 k = 0.3333 0.5774 0.3698 ( 14475 PWs) bands (ev): -13.2299 -13.2299 -6.4880 -6.4880 -6.4873 -6.4873 -2.0666 -2.0666 -0.7041 -0.7041 -0.6991 -0.6991 1.0422 1.0422 1.3579 1.3579 1.4153 1.4153 1.9845 1.9845 2.2154 2.2154 2.2640 2.2640 2.7273 2.7273 2.8310 2.8310 3.3875 3.3875 3.5349 3.5349 3.5687 3.5687 3.8891 3.8891 4.1509 4.1509 4.3270 4.3270 4.3406 4.3406 4.6462 4.6462 4.7455 4.7455 5.1413 5.1413 5.5584 5.5584 5.8585 5.8585 6.0737 6.0737 9.6771 9.6771 10.0850 10.0850 10.1046 10.1046 10.6805 10.6805 10.8413 10.8413 k = 0.3333 0.5774 0.3893 ( 14481 PWs) bands (ev): -13.2296 -13.2296 -6.4863 -6.4863 -6.4855 -6.4855 -2.0687 -2.0687 -0.7103 -0.7103 -0.7003 -0.7003 1.0455 1.0455 1.3587 1.3587 1.4080 1.4080 1.9812 1.9812 2.2149 2.2149 2.2647 2.2647 2.7247 2.7247 2.8333 2.8333 3.3937 3.3937 3.5392 3.5392 3.5650 3.5650 3.8703 3.8703 4.1570 4.1570 4.3239 4.3239 4.3382 4.3382 4.6498 4.6498 4.7356 4.7356 5.1412 5.1412 5.5415 5.5415 5.8703 5.8703 6.0816 6.0816 9.7121 9.7121 10.0709 10.0709 10.0909 10.0909 10.7357 10.7357 10.8931 10.8931 k = 0.3333 0.5774 0.4087 ( 14490 PWs) bands (ev): -13.2293 -13.2293 -6.4846 -6.4846 -6.4839 -6.4839 -2.0708 -2.0708 -0.7162 -0.7162 -0.7015 -0.7015 1.0481 1.0481 1.3602 1.3602 1.4012 1.4012 1.9779 1.9779 2.2143 2.2143 2.2652 2.2652 2.7223 2.7223 2.8355 2.8355 3.4003 3.4003 3.5431 3.5431 3.5613 3.5613 3.8522 3.8522 4.1629 4.1629 4.3208 4.3208 4.3355 4.3355 4.6531 4.6531 4.7267 4.7267 5.1404 5.1404 5.5256 5.5256 5.8818 5.8818 6.0897 6.0897 9.7452 9.7452 10.0500 10.0500 10.0689 10.0689 10.8022 10.8022 10.9545 10.9545 k = 0.3333 0.5774 0.4282 ( 14508 PWs) bands (ev): -13.2291 -13.2291 -6.4830 -6.4830 -6.4823 -6.4823 -2.0727 -2.0727 -0.7217 -0.7217 -0.7026 -0.7026 1.0502 1.0502 1.3622 1.3622 1.3949 1.3949 1.9747 1.9747 2.2138 2.2138 2.2657 2.2657 2.7201 2.7201 2.8375 2.8375 3.4073 3.4073 3.5465 3.5465 3.5576 3.5576 3.8349 3.8349 4.1686 4.1686 4.3177 4.3177 4.3328 4.3328 4.6562 4.6562 4.7189 4.7189 5.1390 5.1390 5.5109 5.5109 5.8931 5.8931 6.0980 6.0980 9.7762 9.7762 10.0253 10.0253 10.0426 10.0426 10.8756 10.8756 11.0223 11.0223 k = 0.3333 0.5774 0.4477 ( 14514 PWs) bands (ev): -13.2289 -13.2289 -6.4816 -6.4816 -6.4809 -6.4809 -2.0744 -2.0744 -0.7267 -0.7267 -0.7036 -0.7036 1.0516 1.0516 1.3646 1.3646 1.3891 1.3891 1.9717 1.9717 2.2132 2.2132 2.2660 2.2660 2.7181 2.7181 2.8393 2.8393 3.4145 3.4145 3.5494 3.5494 3.5538 3.5538 3.8186 3.8186 4.1740 4.1740 4.3148 4.3148 4.3300 4.3300 4.6590 4.6590 4.7122 4.7122 5.1371 5.1371 5.4976 5.4976 5.9038 5.9038 6.1061 6.1061 9.8047 9.8047 9.9991 9.9991 10.0150 10.0150 10.9524 10.9524 11.0937 11.0937 k = 0.3333 0.5774 0.4671 ( 14514 PWs) bands (ev): -13.2286 -13.2286 -6.4803 -6.4803 -6.4795 -6.4795 -2.0760 -2.0760 -0.7312 -0.7312 -0.7046 -0.7046 1.0527 1.0527 1.3672 1.3672 1.3839 1.3839 1.9689 1.9689 2.2127 2.2127 2.2663 2.2663 2.7162 2.7162 2.8410 2.8410 3.4220 3.4220 3.5500 3.5500 3.5520 3.5520 3.8034 3.8034 4.1791 4.1791 4.3120 4.3120 4.3273 4.3273 4.6615 4.6615 4.7065 4.7065 5.1350 5.1350 5.4857 5.4857 5.9138 5.9138 6.1139 6.1139 9.8305 9.8305 9.9731 9.9731 9.9882 9.9882 11.0300 11.0300 11.1663 11.1663 k = 0.3333 0.5774 0.4866 ( 14487 PWs) bands (ev): -13.2285 -13.2285 -6.4791 -6.4791 -6.4784 -6.4784 -2.0774 -2.0774 -0.7353 -0.7353 -0.7054 -0.7054 1.0533 1.0533 1.3700 1.3700 1.3792 1.3792 1.9663 1.9663 2.2123 2.2123 2.2665 2.2665 2.7147 2.7147 2.8424 2.8424 3.4295 3.4295 3.5462 3.5462 3.5541 3.5541 3.7898 3.7898 4.1837 4.1837 4.3093 4.3093 4.3247 4.3247 4.6637 4.6637 4.7016 4.7016 5.1326 5.1326 5.4754 5.4754 5.9229 5.9229 6.1212 6.1212 9.8530 9.8530 9.9487 9.9487 9.9635 9.9635 11.1060 11.1060 11.2378 11.2378 k = 0.3333 0.5774 0.5060 ( 14487 PWs) bands (ev): -13.2283 -13.2283 -6.4781 -6.4781 -6.4774 -6.4774 -2.0787 -2.0787 -0.7387 -0.7387 -0.7062 -0.7062 1.0537 1.0537 1.3726 1.3726 1.3753 1.3753 1.9640 1.9640 2.2119 2.2119 2.2666 2.2666 2.7133 2.7133 2.8437 2.8437 3.4368 3.4368 3.5423 3.5423 3.5559 3.5559 3.7777 3.7777 4.1879 4.1879 4.3069 4.3069 4.3223 4.3223 4.6655 4.6655 4.6977 4.6977 5.1302 5.1302 5.4666 5.4666 5.9309 5.9309 6.1278 6.1278 9.8717 9.8717 9.9268 9.9268 9.9424 9.9424 11.1780 11.1780 11.3060 11.3060 k = 0.3333 0.5774 0.5255 ( 14481 PWs) bands (ev): -13.2282 -13.2282 -6.4772 -6.4772 -6.4765 -6.4765 -2.0797 -2.0797 -0.7416 -0.7416 -0.7068 -0.7068 1.0539 1.0539 1.3720 1.3720 1.3751 1.3751 1.9620 1.9620 2.2115 2.2115 2.2667 2.2667 2.7122 2.7122 2.8447 2.8447 3.4437 3.4437 3.5386 3.5386 3.5573 3.5573 3.7675 3.7675 4.1914 4.1914 4.3049 4.3049 4.3203 4.3203 4.6670 4.6670 4.6946 4.6946 5.1280 5.1280 5.4595 5.4595 5.9378 5.9378 6.1334 6.1334 9.8848 9.8848 9.9080 9.9080 9.9268 9.9268 11.2435 11.2435 11.3684 11.3684 k = 0.3333 0.5774 0.5450 ( 14505 PWs) bands (ev): -13.2281 -13.2281 -6.4766 -6.4766 -6.4758 -6.4758 -2.0805 -2.0805 -0.7439 -0.7439 -0.7073 -0.7073 1.0539 1.0539 1.3694 1.3694 1.3771 1.3771 1.9604 1.9604 2.2112 2.2112 2.2667 2.2667 2.7113 2.7113 2.8455 2.8455 3.4499 3.4499 3.5350 3.5350 3.5583 3.5583 3.7593 3.7593 4.1943 4.1943 4.3032 4.3032 4.3187 4.3187 4.6682 4.6682 4.6922 4.6922 5.1261 5.1261 5.4540 5.4540 5.9432 5.9432 6.1379 6.1379 9.8885 9.8885 9.8929 9.8929 9.9209 9.9209 11.2995 11.2995 11.4222 11.4222 k = 0.3333 0.5774 0.5644 ( 14502 PWs) bands (ev): -13.2280 -13.2280 -6.4761 -6.4761 -6.4754 -6.4754 -2.0811 -2.0811 -0.7455 -0.7455 -0.7077 -0.7077 1.0539 1.0539 1.3676 1.3676 1.3786 1.3786 1.9593 1.9593 2.2110 2.2110 2.2667 2.2667 2.7107 2.7107 2.8461 2.8461 3.4549 3.4549 3.5320 3.5320 3.5591 3.5591 3.7534 3.7534 4.1964 4.1964 4.3019 4.3019 4.3175 4.3175 4.6691 4.6691 4.6905 4.6905 5.1246 5.1246 5.4500 5.4500 5.9472 5.9472 6.1413 6.1413 9.8819 9.8819 9.8842 9.8842 9.9237 9.9237 11.3429 11.3429 11.4641 11.4641 k = 0.3333 0.5774 0.5839 ( 14490 PWs) bands (ev): -13.2279 -13.2279 -6.4758 -6.4758 -6.4751 -6.4751 -2.0815 -2.0815 -0.7465 -0.7465 -0.7079 -0.7079 1.0539 1.0539 1.3664 1.3664 1.3796 1.3796 1.9586 1.9586 2.2109 2.2109 2.2668 2.2668 2.7103 2.7103 2.8464 2.8464 3.4582 3.4582 3.5300 3.5300 3.5595 3.5595 3.7497 3.7497 4.1977 4.1977 4.3011 4.3011 4.3167 4.3167 4.6696 4.6696 4.6895 4.6895 5.1237 5.1237 5.4477 5.4477 5.9496 5.9496 6.1433 6.1433 9.8752 9.8752 9.8795 9.8795 9.9273 9.9273 11.3705 11.3705 11.4910 11.4910 k = 0.3333 0.5774 0.6034 ( 14496 PWs) bands (ev): -13.2279 -13.2279 -6.4757 -6.4757 -6.4750 -6.4750 -2.0816 -2.0816 -0.7468 -0.7468 -0.7079 -0.7079 1.0539 1.0539 1.3661 1.3661 1.3799 1.3799 1.9583 1.9583 2.2109 2.2109 2.2668 2.2668 2.7102 2.7102 2.8466 2.8466 3.4593 3.4593 3.5293 3.5293 3.5597 3.5597 3.7485 3.7485 4.1981 4.1981 4.3009 4.3009 4.3165 4.3165 4.6697 4.6697 4.6892 4.6892 5.1234 5.1234 5.4469 5.4469 5.9504 5.9504 6.1440 6.1440 9.8729 9.8729 9.8777 9.8777 9.9287 9.9287 11.3799 11.3799 11.5003 11.5003 Writing output data file CsAu3Se2.save init_run : 0.63s CPU 0.80s WALL ( 1 calls) electrons : 493.27s CPU 497.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 493.26s CPU 497.67s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.16s CPU 0.22s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.17s CPU 0.26s WALL ( 262 calls) cegterg : 457.70s CPU 461.04s WALL ( 507 calls) Called by sum_band: Called by *egterg: h_psi : 302.68s CPU 304.99s WALL ( 7590 calls) s_psi : 20.50s CPU 20.38s WALL ( 7590 calls) g_psi : 1.05s CPU 1.12s WALL ( 6821 calls) cdiaghg : 81.12s CPU 82.07s WALL ( 7083 calls) cegterg:over : 27.79s CPU 27.83s WALL ( 6821 calls) cegterg:upda : 27.82s CPU 27.90s WALL ( 6821 calls) cegterg:last : 13.89s CPU 13.80s WALL ( 1324 calls) cdiaghg:chol : 4.76s CPU 4.79s WALL ( 7083 calls) cdiaghg:inve : 3.34s CPU 3.43s WALL ( 7083 calls) cdiaghg:para : 5.93s CPU 5.91s WALL ( 14166 calls) Called by h_psi: h_psi:vloc : 261.91s CPU 264.07s WALL ( 7590 calls) h_psi:vnl : 39.43s CPU 39.64s WALL ( 7590 calls) add_vuspsi : 21.48s CPU 21.49s WALL ( 7590 calls) General routines calbec : 17.91s CPU 18.13s WALL ( 7590 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 245.47s CPU 247.31s WALL ( 1074840 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.59s WALL ( 524 calls) Parallel routines fft_scatter : 72.40s CPU 73.35s WALL ( 1074863 calls) PWSCF : 8m49.96s CPU 9m11.60s WALL This run was terminated on: 13:36:28 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=