Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:27:21 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: ./CsAu3S2.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 111 84 23 4669 3042 447 Max 113 85 24 4672 3071 450 Sum 4021 3037 847 168111 110011 16139 bravais-lattice index = 14 lattice parameter (alat) = 11.7012 a.u. unit-cell volume = 1138.2895 (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)= 11.701183 celldm(2)= 1.000000 celldm(3)= 0.820413 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 0.820413 ) 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 1.218898 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 S 6.00 32.06500 S( 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= 264 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 2) = ( 0.0166667 0.0096225 -0.0000000), wk = 0.0037879 k( 3) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0037879 k( 4) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0037879 k( 5) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0037879 k( 6) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0037879 k( 7) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0037879 k( 8) = ( 0.1166667 0.0673575 -0.0000000), wk = 0.0037879 k( 9) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0037879 k( 10) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0037879 k( 11) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0037879 k( 12) = ( 0.1833333 0.1058475 -0.0000000), wk = 0.0037879 k( 13) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0037879 k( 14) = ( 0.2166667 0.1250926 -0.0000000), wk = 0.0037879 k( 15) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0037879 k( 16) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0037879 k( 17) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0037879 k( 18) = ( 0.2833333 0.1635826 -0.0000000), wk = 0.0037879 k( 19) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0037879 k( 20) = ( 0.3166667 0.1828276 -0.0000000), wk = 0.0037879 k( 21) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0037879 k( 22) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0037879 k( 23) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0037879 k( 24) = ( 0.3833333 0.2213176 -0.0000000), wk = 0.0037879 k( 25) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0037879 k( 26) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0037879 k( 27) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0037879 k( 28) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0037879 k( 29) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0037879 k( 30) = ( 0.4833333 0.2790526 -0.0000000), wk = 0.0037879 k( 31) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037879 k( 32) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037879 k( 33) = ( 0.4901961 0.3056560 -0.0000000), wk = 0.0037879 k( 34) = ( 0.4803922 0.3226369 -0.0000000), wk = 0.0037879 k( 35) = ( 0.4705882 0.3396178 -0.0000000), wk = 0.0037879 k( 36) = ( 0.4607843 0.3565987 -0.0000000), wk = 0.0037879 k( 37) = ( 0.4509804 0.3735796 -0.0000000), wk = 0.0037879 k( 38) = ( 0.4411765 0.3905605 -0.0000000), wk = 0.0037879 k( 39) = ( 0.4313726 0.4075414 -0.0000000), wk = 0.0037879 k( 40) = ( 0.4215686 0.4245223 -0.0000000), wk = 0.0037879 k( 41) = ( 0.4117647 0.4415032 -0.0000000), wk = 0.0037879 k( 42) = ( 0.4019608 0.4584840 -0.0000000), wk = 0.0037879 k( 43) = ( 0.3921569 0.4754649 -0.0000000), wk = 0.0037879 k( 44) = ( 0.3823529 0.4924458 -0.0000000), wk = 0.0037879 k( 45) = ( 0.3725490 0.5094267 -0.0000000), wk = 0.0037879 k( 46) = ( 0.3627451 0.5264076 -0.0000000), wk = 0.0037879 k( 47) = ( 0.3529412 0.5433885 -0.0000000), wk = 0.0037879 k( 48) = ( 0.3431373 0.5603694 -0.0000000), wk = 0.0037879 k( 49) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037879 k( 50) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037879 k( 51) = ( 0.3235294 0.5603694 -0.0000000), wk = 0.0037879 k( 52) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0037879 k( 53) = ( 0.3039216 0.5264076 -0.0000000), wk = 0.0037879 k( 54) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0037879 k( 55) = ( 0.2843137 0.4924458 -0.0000000), wk = 0.0037879 k( 56) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0037879 k( 57) = ( 0.2647059 0.4584840 -0.0000000), wk = 0.0037879 k( 58) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0037879 k( 59) = ( 0.2450980 0.4245223 -0.0000000), wk = 0.0037879 k( 60) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0037879 k( 61) = ( 0.2254902 0.3905605 -0.0000000), wk = 0.0037879 k( 62) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0037879 k( 63) = ( 0.2058823 0.3565987 -0.0000000), wk = 0.0037879 k( 64) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0037879 k( 65) = ( 0.1862745 0.3226369 -0.0000000), wk = 0.0037879 k( 66) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0037879 k( 67) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0037879 k( 68) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0037879 k( 69) = ( 0.1470588 0.2547133 -0.0000000), wk = 0.0037879 k( 70) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0037879 k( 71) = ( 0.1274510 0.2207516 -0.0000000), wk = 0.0037879 k( 72) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0037879 k( 73) = ( 0.1078431 0.1867898 -0.0000000), wk = 0.0037879 k( 74) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0037879 k( 75) = ( 0.0882353 0.1528280 -0.0000000), wk = 0.0037879 k( 76) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0037879 k( 77) = ( 0.0686275 0.1188662 -0.0000000), wk = 0.0037879 k( 78) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0037879 k( 79) = ( 0.0490196 0.0849045 -0.0000000), wk = 0.0037879 k( 80) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0037879 k( 81) = ( 0.0294118 0.0509427 -0.0000000), wk = 0.0037879 k( 82) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0037879 k( 83) = ( 0.0098039 0.0169809 -0.0000000), wk = 0.0037879 k( 84) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 85) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 86) = ( 0.0000000 0.0000000 0.0196596), wk = 0.0037879 k( 87) = ( 0.0000000 0.0000000 0.0393193), wk = 0.0037879 k( 88) = ( 0.0000000 0.0000000 0.0589789), wk = 0.0037879 k( 89) = ( 0.0000000 0.0000000 0.0786386), wk = 0.0037879 k( 90) = ( 0.0000000 0.0000000 0.0982982), wk = 0.0037879 k( 91) = ( 0.0000000 0.0000000 0.1179578), wk = 0.0037879 k( 92) = ( 0.0000000 0.0000000 0.1376175), wk = 0.0037879 k( 93) = ( 0.0000000 0.0000000 0.1572771), wk = 0.0037879 k( 94) = ( 0.0000000 0.0000000 0.1769368), wk = 0.0037879 k( 95) = ( 0.0000000 0.0000000 0.1965964), wk = 0.0037879 k( 96) = ( 0.0000000 0.0000000 0.2162560), wk = 0.0037879 k( 97) = ( 0.0000000 0.0000000 0.2359157), wk = 0.0037879 k( 98) = ( 0.0000000 0.0000000 0.2555753), wk = 0.0037879 k( 99) = ( 0.0000000 0.0000000 0.2752349), wk = 0.0037879 k( 100) = ( 0.0000000 0.0000000 0.2948946), wk = 0.0037879 k( 101) = ( 0.0000000 0.0000000 0.3145542), wk = 0.0037879 k( 102) = ( 0.0000000 0.0000000 0.3342139), wk = 0.0037879 k( 103) = ( 0.0000000 0.0000000 0.3538735), wk = 0.0037879 k( 104) = ( 0.0000000 0.0000000 0.3735331), wk = 0.0037879 k( 105) = ( 0.0000000 0.0000000 0.3931928), wk = 0.0037879 k( 106) = ( 0.0000000 0.0000000 0.4128524), wk = 0.0037879 k( 107) = ( 0.0000000 0.0000000 0.4325121), wk = 0.0037879 k( 108) = ( 0.0000000 0.0000000 0.4521717), wk = 0.0037879 k( 109) = ( 0.0000000 0.0000000 0.4718313), wk = 0.0037879 k( 110) = ( 0.0000000 0.0000000 0.4914910), wk = 0.0037879 k( 111) = ( 0.0000000 0.0000000 0.5111506), wk = 0.0037879 k( 112) = ( 0.0000000 0.0000000 0.5308103), wk = 0.0037879 k( 113) = ( 0.0000000 0.0000000 0.5504699), wk = 0.0037879 k( 114) = ( 0.0000000 0.0000000 0.5701295), wk = 0.0037879 k( 115) = ( 0.0000000 0.0000000 0.5897892), wk = 0.0037879 k( 116) = ( 0.0000000 0.0000000 0.6094488), wk = 0.0037879 k( 117) = ( 0.0000000 0.0000000 0.6094488), wk = 0.0037879 k( 118) = ( 0.0166667 0.0096225 0.6094488), wk = 0.0037879 k( 119) = ( 0.0333333 0.0192450 0.6094488), wk = 0.0037879 k( 120) = ( 0.0500000 0.0288675 0.6094488), wk = 0.0037879 k( 121) = ( 0.0666667 0.0384900 0.6094488), wk = 0.0037879 k( 122) = ( 0.0833333 0.0481125 0.6094488), wk = 0.0037879 k( 123) = ( 0.1000000 0.0577350 0.6094488), wk = 0.0037879 k( 124) = ( 0.1166667 0.0673575 0.6094488), wk = 0.0037879 k( 125) = ( 0.1333333 0.0769800 0.6094488), wk = 0.0037879 k( 126) = ( 0.1500000 0.0866025 0.6094488), wk = 0.0037879 k( 127) = ( 0.1666667 0.0962250 0.6094488), wk = 0.0037879 k( 128) = ( 0.1833333 0.1058475 0.6094488), wk = 0.0037879 k( 129) = ( 0.2000000 0.1154701 0.6094488), wk = 0.0037879 k( 130) = ( 0.2166667 0.1250926 0.6094488), wk = 0.0037879 k( 131) = ( 0.2333333 0.1347151 0.6094488), wk = 0.0037879 k( 132) = ( 0.2500000 0.1443376 0.6094488), wk = 0.0037879 k( 133) = ( 0.2666667 0.1539601 0.6094488), wk = 0.0037879 k( 134) = ( 0.2833333 0.1635826 0.6094488), wk = 0.0037879 k( 135) = ( 0.3000000 0.1732051 0.6094488), wk = 0.0037879 k( 136) = ( 0.3166667 0.1828276 0.6094488), wk = 0.0037879 k( 137) = ( 0.3333333 0.1924501 0.6094488), wk = 0.0037879 k( 138) = ( 0.3500000 0.2020726 0.6094488), wk = 0.0037879 k( 139) = ( 0.3666667 0.2116951 0.6094488), wk = 0.0037879 k( 140) = ( 0.3833333 0.2213176 0.6094488), wk = 0.0037879 k( 141) = ( 0.4000000 0.2309401 0.6094488), wk = 0.0037879 k( 142) = ( 0.4166667 0.2405626 0.6094488), wk = 0.0037879 k( 143) = ( 0.4333333 0.2501851 0.6094488), wk = 0.0037879 k( 144) = ( 0.4500000 0.2598076 0.6094488), wk = 0.0037879 k( 145) = ( 0.4666667 0.2694301 0.6094488), wk = 0.0037879 k( 146) = ( 0.4833333 0.2790526 0.6094488), wk = 0.0037879 k( 147) = ( 0.5000000 0.2886751 0.6094488), wk = 0.0037879 k( 148) = ( 0.5000000 0.2886751 0.6094488), wk = 0.0037879 k( 149) = ( 0.4901961 0.3056560 0.6094488), wk = 0.0037879 k( 150) = ( 0.4803922 0.3226369 0.6094488), wk = 0.0037879 k( 151) = ( 0.4705882 0.3396178 0.6094488), wk = 0.0037879 k( 152) = ( 0.4607843 0.3565987 0.6094488), wk = 0.0037879 k( 153) = ( 0.4509804 0.3735796 0.6094488), wk = 0.0037879 k( 154) = ( 0.4411765 0.3905605 0.6094488), wk = 0.0037879 k( 155) = ( 0.4313726 0.4075414 0.6094488), wk = 0.0037879 k( 156) = ( 0.4215686 0.4245223 0.6094488), wk = 0.0037879 k( 157) = ( 0.4117647 0.4415032 0.6094488), wk = 0.0037879 k( 158) = ( 0.4019608 0.4584840 0.6094488), wk = 0.0037879 k( 159) = ( 0.3921569 0.4754649 0.6094488), wk = 0.0037879 k( 160) = ( 0.3823529 0.4924458 0.6094488), wk = 0.0037879 k( 161) = ( 0.3725490 0.5094267 0.6094488), wk = 0.0037879 k( 162) = ( 0.3627451 0.5264076 0.6094488), wk = 0.0037879 k( 163) = ( 0.3529412 0.5433885 0.6094488), wk = 0.0037879 k( 164) = ( 0.3431373 0.5603694 0.6094488), wk = 0.0037879 k( 165) = ( 0.3333333 0.5773503 0.6094488), wk = 0.0037879 k( 166) = ( 0.3333333 0.5773503 0.6094488), wk = 0.0037879 k( 167) = ( 0.3235294 0.5603694 0.6094488), wk = 0.0037879 k( 168) = ( 0.3137255 0.5433885 0.6094488), wk = 0.0037879 k( 169) = ( 0.3039216 0.5264076 0.6094488), wk = 0.0037879 k( 170) = ( 0.2941177 0.5094267 0.6094488), wk = 0.0037879 k( 171) = ( 0.2843137 0.4924458 0.6094488), wk = 0.0037879 k( 172) = ( 0.2745098 0.4754649 0.6094488), wk = 0.0037879 k( 173) = ( 0.2647059 0.4584840 0.6094488), wk = 0.0037879 k( 174) = ( 0.2549020 0.4415031 0.6094488), wk = 0.0037879 k( 175) = ( 0.2450980 0.4245223 0.6094488), wk = 0.0037879 k( 176) = ( 0.2352941 0.4075414 0.6094488), wk = 0.0037879 k( 177) = ( 0.2254902 0.3905605 0.6094488), wk = 0.0037879 k( 178) = ( 0.2156863 0.3735796 0.6094488), wk = 0.0037879 k( 179) = ( 0.2058823 0.3565987 0.6094488), wk = 0.0037879 k( 180) = ( 0.1960784 0.3396178 0.6094488), wk = 0.0037879 k( 181) = ( 0.1862745 0.3226369 0.6094488), wk = 0.0037879 k( 182) = ( 0.1764706 0.3056560 0.6094488), wk = 0.0037879 k( 183) = ( 0.1666667 0.2886751 0.6094488), wk = 0.0037879 k( 184) = ( 0.1568627 0.2716943 0.6094488), wk = 0.0037879 k( 185) = ( 0.1470588 0.2547133 0.6094488), wk = 0.0037879 k( 186) = ( 0.1372549 0.2377325 0.6094488), wk = 0.0037879 k( 187) = ( 0.1274510 0.2207516 0.6094488), wk = 0.0037879 k( 188) = ( 0.1176471 0.2037707 0.6094488), wk = 0.0037879 k( 189) = ( 0.1078431 0.1867898 0.6094488), wk = 0.0037879 k( 190) = ( 0.0980392 0.1698089 0.6094488), wk = 0.0037879 k( 191) = ( 0.0882353 0.1528280 0.6094488), wk = 0.0037879 k( 192) = ( 0.0784314 0.1358471 0.6094488), wk = 0.0037879 k( 193) = ( 0.0686275 0.1188662 0.6094488), wk = 0.0037879 k( 194) = ( 0.0588235 0.1018853 0.6094488), wk = 0.0037879 k( 195) = ( 0.0490196 0.0849045 0.6094488), wk = 0.0037879 k( 196) = ( 0.0392157 0.0679236 0.6094488), wk = 0.0037879 k( 197) = ( 0.0294118 0.0509427 0.6094488), wk = 0.0037879 k( 198) = ( 0.0196078 0.0339618 0.6094488), wk = 0.0037879 k( 199) = ( 0.0098039 0.0169809 0.6094488), wk = 0.0037879 k( 200) = ( 0.0000000 0.0000000 0.6094488), wk = 0.0037879 k( 201) = ( 0.5000000 0.2886751 0.6094488), wk = 0.0037879 k( 202) = ( 0.5000000 0.2886751 0.5897892), wk = 0.0037879 k( 203) = ( 0.5000000 0.2886751 0.5701295), wk = 0.0037879 k( 204) = ( 0.5000000 0.2886751 0.5504699), wk = 0.0037879 k( 205) = ( 0.5000000 0.2886751 0.5308103), wk = 0.0037879 k( 206) = ( 0.5000000 0.2886751 0.5111506), wk = 0.0037879 k( 207) = ( 0.5000000 0.2886751 0.4914910), wk = 0.0037879 k( 208) = ( 0.5000000 0.2886751 0.4718313), wk = 0.0037879 k( 209) = ( 0.5000000 0.2886751 0.4521717), wk = 0.0037879 k( 210) = ( 0.5000000 0.2886751 0.4325121), wk = 0.0037879 k( 211) = ( 0.5000000 0.2886751 0.4128524), wk = 0.0037879 k( 212) = ( 0.5000000 0.2886751 0.3931928), wk = 0.0037879 k( 213) = ( 0.5000000 0.2886751 0.3735331), wk = 0.0037879 k( 214) = ( 0.5000000 0.2886751 0.3538735), wk = 0.0037879 k( 215) = ( 0.5000000 0.2886751 0.3342139), wk = 0.0037879 k( 216) = ( 0.5000000 0.2886751 0.3145542), wk = 0.0037879 k( 217) = ( 0.5000000 0.2886751 0.2948946), wk = 0.0037879 k( 218) = ( 0.5000000 0.2886751 0.2752349), wk = 0.0037879 k( 219) = ( 0.5000000 0.2886751 0.2555753), wk = 0.0037879 k( 220) = ( 0.5000000 0.2886751 0.2359157), wk = 0.0037879 k( 221) = ( 0.5000000 0.2886751 0.2162560), wk = 0.0037879 k( 222) = ( 0.5000000 0.2886751 0.1965964), wk = 0.0037879 k( 223) = ( 0.5000000 0.2886751 0.1769368), wk = 0.0037879 k( 224) = ( 0.5000000 0.2886751 0.1572771), wk = 0.0037879 k( 225) = ( 0.5000000 0.2886751 0.1376175), wk = 0.0037879 k( 226) = ( 0.5000000 0.2886751 0.1179578), wk = 0.0037879 k( 227) = ( 0.5000000 0.2886751 0.0982982), wk = 0.0037879 k( 228) = ( 0.5000000 0.2886751 0.0786386), wk = 0.0037879 k( 229) = ( 0.5000000 0.2886751 0.0589789), wk = 0.0037879 k( 230) = ( 0.5000000 0.2886751 0.0393193), wk = 0.0037879 k( 231) = ( 0.5000000 0.2886751 0.0196596), wk = 0.0037879 k( 232) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037879 k( 233) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037879 k( 234) = ( 0.3333333 0.5773503 0.0196596), wk = 0.0037879 k( 235) = ( 0.3333333 0.5773503 0.0393193), wk = 0.0037879 k( 236) = ( 0.3333333 0.5773503 0.0589789), wk = 0.0037879 k( 237) = ( 0.3333333 0.5773503 0.0786386), wk = 0.0037879 k( 238) = ( 0.3333333 0.5773503 0.0982982), wk = 0.0037879 k( 239) = ( 0.3333333 0.5773503 0.1179578), wk = 0.0037879 k( 240) = ( 0.3333333 0.5773503 0.1376175), wk = 0.0037879 k( 241) = ( 0.3333333 0.5773503 0.1572771), wk = 0.0037879 k( 242) = ( 0.3333333 0.5773503 0.1769368), wk = 0.0037879 k( 243) = ( 0.3333333 0.5773503 0.1965964), wk = 0.0037879 k( 244) = ( 0.3333333 0.5773503 0.2162560), wk = 0.0037879 k( 245) = ( 0.3333333 0.5773503 0.2359157), wk = 0.0037879 k( 246) = ( 0.3333333 0.5773503 0.2555753), wk = 0.0037879 k( 247) = ( 0.3333333 0.5773503 0.2752349), wk = 0.0037879 k( 248) = ( 0.3333333 0.5773503 0.2948946), wk = 0.0037879 k( 249) = ( 0.3333333 0.5773503 0.3145542), wk = 0.0037879 k( 250) = ( 0.3333333 0.5773503 0.3342139), wk = 0.0037879 k( 251) = ( 0.3333333 0.5773503 0.3538735), wk = 0.0037879 k( 252) = ( 0.3333333 0.5773503 0.3735331), wk = 0.0037879 k( 253) = ( 0.3333333 0.5773503 0.3931928), wk = 0.0037879 k( 254) = ( 0.3333333 0.5773503 0.4128524), wk = 0.0037879 k( 255) = ( 0.3333333 0.5773503 0.4325121), wk = 0.0037879 k( 256) = ( 0.3333333 0.5773503 0.4521717), wk = 0.0037879 k( 257) = ( 0.3333333 0.5773503 0.4718313), wk = 0.0037879 k( 258) = ( 0.3333333 0.5773503 0.4914910), wk = 0.0037879 k( 259) = ( 0.3333333 0.5773503 0.5111506), wk = 0.0037879 k( 260) = ( 0.3333333 0.5773503 0.5308103), wk = 0.0037879 k( 261) = ( 0.3333333 0.5773503 0.5504699), wk = 0.0037879 k( 262) = ( 0.3333333 0.5773503 0.5701295), wk = 0.0037879 k( 263) = ( 0.3333333 0.5773503 0.5897892), wk = 0.0037879 k( 264) = ( 0.3333333 0.5773503 0.6094488), wk = 0.0037879 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 2) = ( 0.0166667 0.0000000 -0.0000000), wk = 0.0037879 k( 3) = ( 0.0333333 -0.0000000 0.0000000), wk = 0.0037879 k( 4) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0037879 k( 5) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0037879 k( 6) = ( 0.0833333 0.0000000 -0.0000000), wk = 0.0037879 k( 7) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0037879 k( 8) = ( 0.1166667 0.0000000 0.0000000), wk = 0.0037879 k( 9) = ( 0.1333333 -0.0000000 -0.0000000), wk = 0.0037879 k( 10) = ( 0.1500000 0.0000000 -0.0000000), wk = 0.0037879 k( 11) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0037879 k( 12) = ( 0.1833333 -0.0000000 0.0000000), wk = 0.0037879 k( 13) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0037879 k( 14) = ( 0.2166667 0.0000000 -0.0000000), wk = 0.0037879 k( 15) = ( 0.2333333 0.0000000 -0.0000000), wk = 0.0037879 k( 16) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0037879 k( 17) = ( 0.2666667 -0.0000000 0.0000000), wk = 0.0037879 k( 18) = ( 0.2833333 -0.0000000 0.0000000), wk = 0.0037879 k( 19) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0037879 k( 20) = ( 0.3166667 0.0000000 -0.0000000), wk = 0.0037879 k( 21) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0037879 k( 22) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0037879 k( 23) = ( 0.3666667 0.0000000 -0.0000000), wk = 0.0037879 k( 24) = ( 0.3833333 0.0000000 -0.0000000), wk = 0.0037879 k( 25) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0037879 k( 26) = ( 0.4166667 -0.0000000 0.0000000), wk = 0.0037879 k( 27) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0037879 k( 28) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0037879 k( 29) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0037879 k( 30) = ( 0.4833333 0.0000000 0.0000000), wk = 0.0037879 k( 31) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037879 k( 32) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037879 k( 33) = ( 0.4901961 0.0196078 0.0000000), wk = 0.0037879 k( 34) = ( 0.4803922 0.0392157 0.0000000), wk = 0.0037879 k( 35) = ( 0.4705882 0.0588235 -0.0000000), wk = 0.0037879 k( 36) = ( 0.4607843 0.0784314 0.0000000), wk = 0.0037879 k( 37) = ( 0.4509804 0.0980392 -0.0000000), wk = 0.0037879 k( 38) = ( 0.4411765 0.1176471 0.0000000), wk = 0.0037879 k( 39) = ( 0.4313726 0.1372549 0.0000000), wk = 0.0037879 k( 40) = ( 0.4215686 0.1568628 -0.0000000), wk = 0.0037879 k( 41) = ( 0.4117647 0.1764706 -0.0000000), wk = 0.0037879 k( 42) = ( 0.4019608 0.1960784 -0.0000000), wk = 0.0037879 k( 43) = ( 0.3921569 0.2156863 -0.0000000), wk = 0.0037879 k( 44) = ( 0.3823529 0.2352941 0.0000000), wk = 0.0037879 k( 45) = ( 0.3725490 0.2549020 0.0000000), wk = 0.0037879 k( 46) = ( 0.3627451 0.2745098 0.0000000), wk = 0.0037879 k( 47) = ( 0.3529412 0.2941177 -0.0000000), wk = 0.0037879 k( 48) = ( 0.3431373 0.3137255 0.0000000), wk = 0.0037879 k( 49) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0037879 k( 50) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0037879 k( 51) = ( 0.3235294 0.3235294 0.0000000), wk = 0.0037879 k( 52) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0037879 k( 53) = ( 0.3039216 0.3039216 0.0000000), wk = 0.0037879 k( 54) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0037879 k( 55) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0037879 k( 56) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0037879 k( 57) = ( 0.2647059 0.2647059 0.0000000), wk = 0.0037879 k( 58) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0037879 k( 59) = ( 0.2450980 0.2450980 0.0000000), wk = 0.0037879 k( 60) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0037879 k( 61) = ( 0.2254902 0.2254902 -0.0000000), wk = 0.0037879 k( 62) = ( 0.2156863 0.2156863 0.0000000), wk = 0.0037879 k( 63) = ( 0.2058823 0.2058824 0.0000000), wk = 0.0037879 k( 64) = ( 0.1960784 0.1960784 0.0000000), wk = 0.0037879 k( 65) = ( 0.1862745 0.1862745 0.0000000), wk = 0.0037879 k( 66) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0037879 k( 67) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0037879 k( 68) = ( 0.1568627 0.1568627 0.0000000), wk = 0.0037879 k( 69) = ( 0.1470588 0.1470588 0.0000000), wk = 0.0037879 k( 70) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0037879 k( 71) = ( 0.1274510 0.1274510 0.0000000), wk = 0.0037879 k( 72) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0037879 k( 73) = ( 0.1078431 0.1078431 0.0000000), wk = 0.0037879 k( 74) = ( 0.0980392 0.0980392 0.0000000), wk = 0.0037879 k( 75) = ( 0.0882353 0.0882353 0.0000000), wk = 0.0037879 k( 76) = ( 0.0784314 0.0784314 0.0000000), wk = 0.0037879 k( 77) = ( 0.0686275 0.0686275 -0.0000000), wk = 0.0037879 k( 78) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0037879 k( 79) = ( 0.0490196 0.0490196 0.0000000), wk = 0.0037879 k( 80) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0037879 k( 81) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0037879 k( 82) = ( 0.0196078 0.0196078 0.0000000), wk = 0.0037879 k( 83) = ( 0.0098039 0.0098039 0.0000000), wk = 0.0037879 k( 84) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 85) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 86) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0037879 k( 87) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0037879 k( 88) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0037879 k( 89) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0037879 k( 90) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0037879 k( 91) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0037879 k( 92) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0037879 k( 93) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0037879 k( 94) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0037879 k( 95) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0037879 k( 96) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0037879 k( 97) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0037879 k( 98) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0037879 k( 99) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0037879 k( 100) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0037879 k( 101) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0037879 k( 102) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0037879 k( 103) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0037879 k( 104) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0037879 k( 105) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0037879 k( 106) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0037879 k( 107) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0037879 k( 108) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0037879 k( 109) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0037879 k( 110) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0037879 k( 111) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0037879 k( 112) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0037879 k( 113) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0037879 k( 114) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0037879 k( 115) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0037879 k( 116) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037879 k( 117) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037879 k( 118) = ( 0.0166667 0.0000000 0.5000000), wk = 0.0037879 k( 119) = ( 0.0333333 -0.0000000 0.5000000), wk = 0.0037879 k( 120) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0037879 k( 121) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0037879 k( 122) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0037879 k( 123) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0037879 k( 124) = ( 0.1166667 0.0000000 0.5000000), wk = 0.0037879 k( 125) = ( 0.1333333 -0.0000000 0.5000000), wk = 0.0037879 k( 126) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0037879 k( 127) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0037879 k( 128) = ( 0.1833333 -0.0000000 0.5000000), wk = 0.0037879 k( 129) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0037879 k( 130) = ( 0.2166667 0.0000000 0.5000000), wk = 0.0037879 k( 131) = ( 0.2333333 0.0000000 0.5000000), wk = 0.0037879 k( 132) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0037879 k( 133) = ( 0.2666667 -0.0000000 0.5000000), wk = 0.0037879 k( 134) = ( 0.2833333 -0.0000000 0.5000000), wk = 0.0037879 k( 135) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0037879 k( 136) = ( 0.3166667 0.0000000 0.5000000), wk = 0.0037879 k( 137) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0037879 k( 138) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0037879 k( 139) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0037879 k( 140) = ( 0.3833333 0.0000000 0.5000000), wk = 0.0037879 k( 141) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0037879 k( 142) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0037879 k( 143) = ( 0.4333333 -0.0000000 0.5000000), wk = 0.0037879 k( 144) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0037879 k( 145) = ( 0.4666667 0.0000000 0.5000000), wk = 0.0037879 k( 146) = ( 0.4833333 0.0000000 0.5000000), wk = 0.0037879 k( 147) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037879 k( 148) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037879 k( 149) = ( 0.4901961 0.0196078 0.5000000), wk = 0.0037879 k( 150) = ( 0.4803922 0.0392157 0.5000000), wk = 0.0037879 k( 151) = ( 0.4705882 0.0588235 0.5000000), wk = 0.0037879 k( 152) = ( 0.4607843 0.0784314 0.5000000), wk = 0.0037879 k( 153) = ( 0.4509804 0.0980392 0.5000000), wk = 0.0037879 k( 154) = ( 0.4411765 0.1176471 0.5000000), wk = 0.0037879 k( 155) = ( 0.4313726 0.1372549 0.5000000), wk = 0.0037879 k( 156) = ( 0.4215686 0.1568628 0.5000000), wk = 0.0037879 k( 157) = ( 0.4117647 0.1764706 0.5000000), wk = 0.0037879 k( 158) = ( 0.4019608 0.1960784 0.5000000), wk = 0.0037879 k( 159) = ( 0.3921569 0.2156863 0.5000000), wk = 0.0037879 k( 160) = ( 0.3823529 0.2352941 0.5000000), wk = 0.0037879 k( 161) = ( 0.3725490 0.2549020 0.5000000), wk = 0.0037879 k( 162) = ( 0.3627451 0.2745098 0.5000000), wk = 0.0037879 k( 163) = ( 0.3529412 0.2941177 0.5000000), wk = 0.0037879 k( 164) = ( 0.3431373 0.3137255 0.5000000), wk = 0.0037879 k( 165) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037879 k( 166) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037879 k( 167) = ( 0.3235294 0.3235294 0.5000000), wk = 0.0037879 k( 168) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0037879 k( 169) = ( 0.3039216 0.3039216 0.5000000), wk = 0.0037879 k( 170) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0037879 k( 171) = ( 0.2843137 0.2843137 0.5000000), wk = 0.0037879 k( 172) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0037879 k( 173) = ( 0.2647059 0.2647059 0.5000000), wk = 0.0037879 k( 174) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0037879 k( 175) = ( 0.2450980 0.2450980 0.5000000), wk = 0.0037879 k( 176) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0037879 k( 177) = ( 0.2254902 0.2254902 0.5000000), wk = 0.0037879 k( 178) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0037879 k( 179) = ( 0.2058823 0.2058824 0.5000000), wk = 0.0037879 k( 180) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0037879 k( 181) = ( 0.1862745 0.1862745 0.5000000), wk = 0.0037879 k( 182) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0037879 k( 183) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0037879 k( 184) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0037879 k( 185) = ( 0.1470588 0.1470588 0.5000000), wk = 0.0037879 k( 186) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0037879 k( 187) = ( 0.1274510 0.1274510 0.5000000), wk = 0.0037879 k( 188) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0037879 k( 189) = ( 0.1078431 0.1078431 0.5000000), wk = 0.0037879 k( 190) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0037879 k( 191) = ( 0.0882353 0.0882353 0.5000000), wk = 0.0037879 k( 192) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0037879 k( 193) = ( 0.0686275 0.0686275 0.5000000), wk = 0.0037879 k( 194) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0037879 k( 195) = ( 0.0490196 0.0490196 0.5000000), wk = 0.0037879 k( 196) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0037879 k( 197) = ( 0.0294118 0.0294118 0.5000000), wk = 0.0037879 k( 198) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0037879 k( 199) = ( 0.0098039 0.0098039 0.5000000), wk = 0.0037879 k( 200) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037879 k( 201) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037879 k( 202) = ( 0.5000000 0.0000000 0.4838710), wk = 0.0037879 k( 203) = ( 0.5000000 0.0000000 0.4677419), wk = 0.0037879 k( 204) = ( 0.5000000 0.0000000 0.4516129), wk = 0.0037879 k( 205) = ( 0.5000000 0.0000000 0.4354839), wk = 0.0037879 k( 206) = ( 0.5000000 0.0000000 0.4193548), wk = 0.0037879 k( 207) = ( 0.5000000 0.0000000 0.4032258), wk = 0.0037879 k( 208) = ( 0.5000000 0.0000000 0.3870968), wk = 0.0037879 k( 209) = ( 0.5000000 0.0000000 0.3709677), wk = 0.0037879 k( 210) = ( 0.5000000 0.0000000 0.3548387), wk = 0.0037879 k( 211) = ( 0.5000000 0.0000000 0.3387097), wk = 0.0037879 k( 212) = ( 0.5000000 0.0000000 0.3225807), wk = 0.0037879 k( 213) = ( 0.5000000 0.0000000 0.3064516), wk = 0.0037879 k( 214) = ( 0.5000000 0.0000000 0.2903226), wk = 0.0037879 k( 215) = ( 0.5000000 0.0000000 0.2741936), wk = 0.0037879 k( 216) = ( 0.5000000 0.0000000 0.2580645), wk = 0.0037879 k( 217) = ( 0.5000000 0.0000000 0.2419355), wk = 0.0037879 k( 218) = ( 0.5000000 0.0000000 0.2258065), wk = 0.0037879 k( 219) = ( 0.5000000 0.0000000 0.2096774), wk = 0.0037879 k( 220) = ( 0.5000000 0.0000000 0.1935484), wk = 0.0037879 k( 221) = ( 0.5000000 0.0000000 0.1774194), wk = 0.0037879 k( 222) = ( 0.5000000 0.0000000 0.1612903), wk = 0.0037879 k( 223) = ( 0.5000000 0.0000000 0.1451613), wk = 0.0037879 k( 224) = ( 0.5000000 0.0000000 0.1290323), wk = 0.0037879 k( 225) = ( 0.5000000 0.0000000 0.1129032), wk = 0.0037879 k( 226) = ( 0.5000000 0.0000000 0.0967742), wk = 0.0037879 k( 227) = ( 0.5000000 0.0000000 0.0806452), wk = 0.0037879 k( 228) = ( 0.5000000 0.0000000 0.0645161), wk = 0.0037879 k( 229) = ( 0.5000000 0.0000000 0.0483871), wk = 0.0037879 k( 230) = ( 0.5000000 0.0000000 0.0322581), wk = 0.0037879 k( 231) = ( 0.5000000 0.0000000 0.0161290), wk = 0.0037879 k( 232) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037879 k( 233) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0037879 k( 234) = ( 0.3333333 0.3333333 0.0161290), wk = 0.0037879 k( 235) = ( 0.3333333 0.3333333 0.0322581), wk = 0.0037879 k( 236) = ( 0.3333333 0.3333333 0.0483871), wk = 0.0037879 k( 237) = ( 0.3333333 0.3333333 0.0645161), wk = 0.0037879 k( 238) = ( 0.3333333 0.3333333 0.0806452), wk = 0.0037879 k( 239) = ( 0.3333333 0.3333333 0.0967742), wk = 0.0037879 k( 240) = ( 0.3333333 0.3333333 0.1129032), wk = 0.0037879 k( 241) = ( 0.3333333 0.3333333 0.1290323), wk = 0.0037879 k( 242) = ( 0.3333333 0.3333333 0.1451613), wk = 0.0037879 k( 243) = ( 0.3333333 0.3333333 0.1612903), wk = 0.0037879 k( 244) = ( 0.3333333 0.3333333 0.1774194), wk = 0.0037879 k( 245) = ( 0.3333333 0.3333333 0.1935484), wk = 0.0037879 k( 246) = ( 0.3333333 0.3333333 0.2096774), wk = 0.0037879 k( 247) = ( 0.3333333 0.3333333 0.2258064), wk = 0.0037879 k( 248) = ( 0.3333333 0.3333333 0.2419355), wk = 0.0037879 k( 249) = ( 0.3333333 0.3333333 0.2580645), wk = 0.0037879 k( 250) = ( 0.3333333 0.3333333 0.2741936), wk = 0.0037879 k( 251) = ( 0.3333333 0.3333333 0.2903226), wk = 0.0037879 k( 252) = ( 0.3333333 0.3333333 0.3064516), wk = 0.0037879 k( 253) = ( 0.3333333 0.3333333 0.3225807), wk = 0.0037879 k( 254) = ( 0.3333333 0.3333333 0.3387097), wk = 0.0037879 k( 255) = ( 0.3333333 0.3333333 0.3548387), wk = 0.0037879 k( 256) = ( 0.3333333 0.3333333 0.3709677), wk = 0.0037879 k( 257) = ( 0.3333333 0.3333333 0.3870968), wk = 0.0037879 k( 258) = ( 0.3333333 0.3333333 0.4032258), wk = 0.0037879 k( 259) = ( 0.3333333 0.3333333 0.4193548), wk = 0.0037879 k( 260) = ( 0.3333333 0.3333333 0.4354839), wk = 0.0037879 k( 261) = ( 0.3333333 0.3333333 0.4516129), wk = 0.0037879 k( 262) = ( 0.3333333 0.3333333 0.4677419), wk = 0.0037879 k( 263) = ( 0.3333333 0.3333333 0.4838710), wk = 0.0037879 k( 264) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037879 Dense grid: 168111 G-vectors FFT dimensions: ( 80, 80, 64) Smooth grid: 110011 G-vectors FFT dimensions: ( 72, 72, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.75 Mb ( 770, 64) NL pseudopotentials 1.36 Mb ( 385, 232) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.04 Mb ( 4670) G-vector shells 0.02 Mb ( 2156) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.01 Mb ( 770, 256) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.45 Mb ( 232, 2, 64) The potential is recalculated from file : ./CsAu3S2.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 4.6 secs Computing kpt #: 2 total cpu time spent up to now is 6.5 secs Computing kpt #: 3 total cpu time spent up to now is 8.4 secs Computing kpt #: 4 total cpu time spent up to now is 10.3 secs Computing kpt #: 5 total cpu time spent up to now is 12.2 secs Computing kpt #: 6 total cpu time spent up to now is 14.2 secs Computing kpt #: 7 total cpu time spent up to now is 16.1 secs Computing kpt #: 8 total cpu time spent up to now is 18.0 secs Computing kpt #: 9 total cpu time spent up to now is 20.0 secs Computing kpt #: 10 total cpu time spent up to now is 21.9 secs Computing kpt #: 11 total cpu time spent up to now is 23.9 secs Computing kpt #: 12 total cpu time spent up to now is 26.2 secs Computing kpt #: 13 total cpu time spent up to now is 28.1 secs Computing kpt #: 14 total cpu time spent up to now is 30.2 secs Computing kpt #: 15 total cpu time spent up to now is 32.1 secs Computing kpt #: 16 total cpu time spent up to now is 34.1 secs Computing kpt #: 17 total cpu time spent up to now is 36.0 secs Computing kpt #: 18 total cpu time spent up to now is 38.0 secs Computing kpt #: 19 total cpu time spent up to now is 39.9 secs Computing kpt #: 20 total cpu time spent up to now is 41.8 secs Computing kpt #: 21 total cpu time spent up to now is 43.8 secs Computing kpt #: 22 total cpu time spent up to now is 45.7 secs Computing kpt #: 23 total cpu time spent up to now is 47.6 secs Computing kpt #: 24 total cpu time spent up to now is 49.6 secs Computing kpt #: 25 total cpu time spent up to now is 51.6 secs Computing kpt #: 26 total cpu time spent up to now is 53.5 secs Computing kpt #: 27 total cpu time spent up to now is 55.4 secs Computing kpt #: 28 total cpu time spent up to now is 57.3 secs Computing kpt #: 29 total cpu time spent up to now is 59.2 secs Computing kpt #: 30 total cpu time spent up to now is 61.1 secs Computing kpt #: 31 total cpu time spent up to now is 63.0 secs Computing kpt #: 32 total cpu time spent up to now is 64.9 secs Computing kpt #: 33 total cpu time spent up to now is 66.7 secs Computing kpt #: 34 total cpu time spent up to now is 68.6 secs Computing kpt #: 35 total cpu time spent up to now is 70.5 secs Computing kpt #: 36 total cpu time spent up to now is 72.4 secs Computing kpt #: 37 total cpu time spent up to now is 74.3 secs Computing kpt #: 38 total cpu time spent up to now is 76.3 secs Computing kpt #: 39 total cpu time spent up to now is 78.2 secs Computing kpt #: 40 total cpu time spent up to now is 80.2 secs Computing kpt #: 41 total cpu time spent up to now is 82.1 secs Computing kpt #: 42 total cpu time spent up to now is 84.2 secs Computing kpt #: 43 total cpu time spent up to now is 86.2 secs Computing kpt #: 44 total cpu time spent up to now is 88.3 secs Computing kpt #: 45 total cpu time spent up to now is 90.3 secs Computing kpt #: 46 total cpu time spent up to now is 92.9 secs Computing kpt #: 47 total cpu time spent up to now is 95.2 secs Computing kpt #: 48 total cpu time spent up to now is 97.6 secs Computing kpt #: 49 total cpu time spent up to now is 99.5 secs Computing kpt #: 50 total cpu time spent up to now is 101.4 secs Computing kpt #: 51 total cpu time spent up to now is 103.7 secs Computing kpt #: 52 total cpu time spent up to now is 105.8 secs Computing kpt #: 53 total cpu time spent up to now is 107.7 secs Computing kpt #: 54 total cpu time spent up to now is 109.6 secs Computing kpt #: 55 total cpu time spent up to now is 111.5 secs Computing kpt #: 56 total cpu time spent up to now is 113.4 secs Computing kpt #: 57 total cpu time spent up to now is 115.3 secs Computing kpt #: 58 total cpu time spent up to now is 117.1 secs Computing kpt #: 59 total cpu time spent up to now is 119.0 secs Computing kpt #: 60 total cpu time spent up to now is 120.9 secs Computing kpt #: 61 total cpu time spent up to now is 122.6 secs Computing kpt #: 62 total cpu time spent up to now is 124.4 secs Computing kpt #: 63 total cpu time spent up to now is 126.1 secs Computing kpt #: 64 total cpu time spent up to now is 127.8 secs Computing kpt #: 65 total cpu time spent up to now is 129.6 secs Computing kpt #: 66 total cpu time spent up to now is 131.5 secs Computing kpt #: 67 total cpu time spent up to now is 133.4 secs Computing kpt #: 68 total cpu time spent up to now is 135.3 secs Computing kpt #: 69 total cpu time spent up to now is 137.2 secs Computing kpt #: 70 total cpu time spent up to now is 139.1 secs Computing kpt #: 71 total cpu time spent up to now is 140.9 secs Computing kpt #: 72 total cpu time spent up to now is 142.8 secs Computing kpt #: 73 total cpu time spent up to now is 144.7 secs Computing kpt #: 74 total cpu time spent up to now is 146.6 secs Computing kpt #: 75 total cpu time spent up to now is 148.5 secs Computing kpt #: 76 total cpu time spent up to now is 150.4 secs Computing kpt #: 77 total cpu time spent up to now is 152.3 secs Computing kpt #: 78 total cpu time spent up to now is 154.2 secs Computing kpt #: 79 total cpu time spent up to now is 156.1 secs Computing kpt #: 80 total cpu time spent up to now is 158.0 secs Computing kpt #: 81 total cpu time spent up to now is 159.9 secs Computing kpt #: 82 total cpu time spent up to now is 161.8 secs Computing kpt #: 83 total cpu time spent up to now is 163.8 secs Computing kpt #: 84 total cpu time spent up to now is 165.8 secs Computing kpt #: 85 total cpu time spent up to now is 167.8 secs Computing kpt #: 86 total cpu time spent up to now is 169.7 secs Computing kpt #: 87 total cpu time spent up to now is 171.6 secs Computing kpt #: 88 total cpu time spent up to now is 173.6 secs Computing kpt #: 89 total cpu time spent up to now is 175.6 secs Computing kpt #: 90 total cpu time spent up to now is 177.6 secs Computing kpt #: 91 total cpu time spent up to now is 179.6 secs Computing kpt #: 92 total cpu time spent up to now is 181.7 secs Computing kpt #: 93 total cpu time spent up to now is 183.7 secs Computing kpt #: 94 total cpu time spent up to now is 185.8 secs Computing kpt #: 95 total cpu time spent up to now is 187.8 secs Computing kpt #: 96 total cpu time spent up to now is 189.8 secs Computing kpt #: 97 total cpu time spent up to now is 191.9 secs Computing kpt #: 98 total cpu time spent up to now is 193.9 secs Computing kpt #: 99 total cpu time spent up to now is 195.9 secs Computing kpt #: 100 total cpu time spent up to now is 197.9 secs Computing kpt #: 101 total cpu time spent up to now is 199.8 secs Computing kpt #: 102 total cpu time spent up to now is 201.7 secs Computing kpt #: 103 total cpu time spent up to now is 203.7 secs Computing kpt #: 104 total cpu time spent up to now is 205.5 secs Computing kpt #: 105 total cpu time spent up to now is 207.4 secs Computing kpt #: 106 total cpu time spent up to now is 209.3 secs Computing kpt #: 107 total cpu time spent up to now is 211.0 secs Computing kpt #: 108 total cpu time spent up to now is 212.6 secs Computing kpt #: 109 total cpu time spent up to now is 214.3 secs Computing kpt #: 110 total cpu time spent up to now is 216.0 secs Computing kpt #: 111 total cpu time spent up to now is 217.6 secs Computing kpt #: 112 total cpu time spent up to now is 219.2 secs Computing kpt #: 113 total cpu time spent up to now is 220.8 secs Computing kpt #: 114 total cpu time spent up to now is 222.4 secs Computing kpt #: 115 total cpu time spent up to now is 224.1 secs Computing kpt #: 116 total cpu time spent up to now is 225.7 secs Computing kpt #: 117 total cpu time spent up to now is 227.3 secs Computing kpt #: 118 total cpu time spent up to now is 228.9 secs Computing kpt #: 119 total cpu time spent up to now is 230.6 secs Computing kpt #: 120 total cpu time spent up to now is 232.2 secs Computing kpt #: 121 total cpu time spent up to now is 233.9 secs Computing kpt #: 122 total cpu time spent up to now is 235.8 secs Computing kpt #: 123 total cpu time spent up to now is 237.6 secs Computing kpt #: 124 total cpu time spent up to now is 239.5 secs Computing kpt #: 125 total cpu time spent up to now is 241.5 secs Computing kpt #: 126 total cpu time spent up to now is 243.4 secs Computing kpt #: 127 total cpu time spent up to now is 245.4 secs Computing kpt #: 128 total cpu time spent up to now is 247.5 secs Computing kpt #: 129 total cpu time spent up to now is 249.6 secs Computing kpt #: 130 total cpu time spent up to now is 251.8 secs Computing kpt #: 131 total cpu time spent up to now is 253.9 secs Computing kpt #: 132 total cpu time spent up to now is 255.9 secs Computing kpt #: 133 total cpu time spent up to now is 257.9 secs Computing kpt #: 134 total cpu time spent up to now is 260.0 secs Computing kpt #: 135 total cpu time spent up to now is 262.1 secs Computing kpt #: 136 total cpu time spent up to now is 264.1 secs Computing kpt #: 137 total cpu time spent up to now is 266.1 secs Computing kpt #: 138 total cpu time spent up to now is 268.0 secs Computing kpt #: 139 total cpu time spent up to now is 270.0 secs Computing kpt #: 140 total cpu time spent up to now is 271.9 secs Computing kpt #: 141 total cpu time spent up to now is 273.9 secs Computing kpt #: 142 total cpu time spent up to now is 275.9 secs Computing kpt #: 143 total cpu time spent up to now is 277.9 secs Computing kpt #: 144 total cpu time spent up to now is 279.8 secs Computing kpt #: 145 total cpu time spent up to now is 281.8 secs Computing kpt #: 146 total cpu time spent up to now is 283.9 secs Computing kpt #: 147 total cpu time spent up to now is 286.2 secs Computing kpt #: 148 total cpu time spent up to now is 288.6 secs Computing kpt #: 149 total cpu time spent up to now is 290.9 secs Computing kpt #: 150 total cpu time spent up to now is 293.2 secs Computing kpt #: 151 total cpu time spent up to now is 295.3 secs Computing kpt #: 152 total cpu time spent up to now is 297.2 secs Computing kpt #: 153 total cpu time spent up to now is 299.3 secs Computing kpt #: 154 total cpu time spent up to now is 301.3 secs Computing kpt #: 155 total cpu time spent up to now is 303.3 secs Computing kpt #: 156 total cpu time spent up to now is 305.3 secs Computing kpt #: 157 total cpu time spent up to now is 307.7 secs Computing kpt #: 158 total cpu time spent up to now is 309.7 secs Computing kpt #: 159 total cpu time spent up to now is 312.0 secs Computing kpt #: 160 total cpu time spent up to now is 314.0 secs Computing kpt #: 161 total cpu time spent up to now is 316.0 secs Computing kpt #: 162 total cpu time spent up to now is 318.0 secs Computing kpt #: 163 total cpu time spent up to now is 320.0 secs Computing kpt #: 164 total cpu time spent up to now is 322.0 secs Computing kpt #: 165 total cpu time spent up to now is 324.1 secs Computing kpt #: 166 total cpu time spent up to now is 326.1 secs Computing kpt #: 167 total cpu time spent up to now is 328.0 secs Computing kpt #: 168 total cpu time spent up to now is 330.0 secs Computing kpt #: 169 total cpu time spent up to now is 332.0 secs Computing kpt #: 170 total cpu time spent up to now is 333.9 secs Computing kpt #: 171 total cpu time spent up to now is 335.8 secs Computing kpt #: 172 total cpu time spent up to now is 337.6 secs Computing kpt #: 173 total cpu time spent up to now is 339.5 secs Computing kpt #: 174 total cpu time spent up to now is 341.4 secs Computing kpt #: 175 total cpu time spent up to now is 343.3 secs Computing kpt #: 176 total cpu time spent up to now is 345.2 secs Computing kpt #: 177 total cpu time spent up to now is 347.1 secs Computing kpt #: 178 total cpu time spent up to now is 349.0 secs Computing kpt #: 179 total cpu time spent up to now is 350.9 secs Computing kpt #: 180 total cpu time spent up to now is 352.9 secs Computing kpt #: 181 total cpu time spent up to now is 354.8 secs Computing kpt #: 182 total cpu time spent up to now is 356.8 secs Computing kpt #: 183 total cpu time spent up to now is 358.7 secs Computing kpt #: 184 total cpu time spent up to now is 360.7 secs Computing kpt #: 185 total cpu time spent up to now is 362.8 secs Computing kpt #: 186 total cpu time spent up to now is 365.0 secs Computing kpt #: 187 total cpu time spent up to now is 367.2 secs Computing kpt #: 188 total cpu time spent up to now is 369.3 secs Computing kpt #: 189 total cpu time spent up to now is 371.4 secs Computing kpt #: 190 total cpu time spent up to now is 373.5 secs Computing kpt #: 191 total cpu time spent up to now is 375.5 secs Computing kpt #: 192 total cpu time spent up to now is 377.4 secs Computing kpt #: 193 total cpu time spent up to now is 379.3 secs Computing kpt #: 194 total cpu time spent up to now is 381.1 secs Computing kpt #: 195 total cpu time spent up to now is 383.0 secs Computing kpt #: 196 total cpu time spent up to now is 384.8 secs Computing kpt #: 197 total cpu time spent up to now is 386.5 secs Computing kpt #: 198 total cpu time spent up to now is 388.2 secs Computing kpt #: 199 total cpu time spent up to now is 389.8 secs Computing kpt #: 200 total cpu time spent up to now is 391.5 secs Computing kpt #: 201 total cpu time spent up to now is 394.3 secs Computing kpt #: 202 total cpu time spent up to now is 396.6 secs Computing kpt #: 203 total cpu time spent up to now is 398.6 secs Computing kpt #: 204 total cpu time spent up to now is 400.7 secs Computing kpt #: 205 total cpu time spent up to now is 402.8 secs Computing kpt #: 206 total cpu time spent up to now is 404.8 secs Computing kpt #: 207 total cpu time spent up to now is 406.8 secs Computing kpt #: 208 total cpu time spent up to now is 408.9 secs Computing kpt #: 209 total cpu time spent up to now is 410.9 secs Computing kpt #: 210 total cpu time spent up to now is 413.1 secs Computing kpt #: 211 total cpu time spent up to now is 415.0 secs Computing kpt #: 212 total cpu time spent up to now is 417.8 secs Computing kpt #: 213 total cpu time spent up to now is 420.2 secs Computing kpt #: 214 total cpu time spent up to now is 422.3 secs Computing kpt #: 215 total cpu time spent up to now is 424.6 secs Computing kpt #: 216 total cpu time spent up to now is 426.8 secs Computing kpt #: 217 total cpu time spent up to now is 428.9 secs Computing kpt #: 218 total cpu time spent up to now is 431.2 secs Computing kpt #: 219 total cpu time spent up to now is 433.2 secs Computing kpt #: 220 total cpu time spent up to now is 435.2 secs Computing kpt #: 221 total cpu time spent up to now is 437.2 secs Computing kpt #: 222 total cpu time spent up to now is 439.2 secs Computing kpt #: 223 total cpu time spent up to now is 441.2 secs Computing kpt #: 224 total cpu time spent up to now is 443.1 secs Computing kpt #: 225 total cpu time spent up to now is 445.0 secs Computing kpt #: 226 total cpu time spent up to now is 446.9 secs Computing kpt #: 227 total cpu time spent up to now is 448.8 secs Computing kpt #: 228 total cpu time spent up to now is 450.7 secs Computing kpt #: 229 total cpu time spent up to now is 452.6 secs Computing kpt #: 230 total cpu time spent up to now is 454.4 secs Computing kpt #: 231 total cpu time spent up to now is 456.3 secs Computing kpt #: 232 total cpu time spent up to now is 458.2 secs Computing kpt #: 233 total cpu time spent up to now is 460.1 secs Computing kpt #: 234 total cpu time spent up to now is 462.0 secs Computing kpt #: 235 total cpu time spent up to now is 463.9 secs Computing kpt #: 236 total cpu time spent up to now is 465.8 secs Computing kpt #: 237 total cpu time spent up to now is 467.7 secs Computing kpt #: 238 total cpu time spent up to now is 469.6 secs Computing kpt #: 239 total cpu time spent up to now is 471.5 secs Computing kpt #: 240 total cpu time spent up to now is 473.4 secs Computing kpt #: 241 total cpu time spent up to now is 475.3 secs Computing kpt #: 242 total cpu time spent up to now is 477.3 secs Computing kpt #: 243 total cpu time spent up to now is 479.3 secs Computing kpt #: 244 total cpu time spent up to now is 481.3 secs Computing kpt #: 245 total cpu time spent up to now is 483.3 secs Computing kpt #: 246 total cpu time spent up to now is 485.3 secs Computing kpt #: 247 total cpu time spent up to now is 487.3 secs Computing kpt #: 248 total cpu time spent up to now is 489.3 secs Computing kpt #: 249 total cpu time spent up to now is 491.3 secs Computing kpt #: 250 total cpu time spent up to now is 493.3 secs Computing kpt #: 251 total cpu time spent up to now is 495.2 secs Computing kpt #: 252 total cpu time spent up to now is 497.2 secs Computing kpt #: 253 total cpu time spent up to now is 499.2 secs Computing kpt #: 254 total cpu time spent up to now is 501.2 secs Computing kpt #: 255 total cpu time spent up to now is 503.2 secs Computing kpt #: 256 total cpu time spent up to now is 505.2 secs Computing kpt #: 257 total cpu time spent up to now is 507.2 secs Computing kpt #: 258 total cpu time spent up to now is 509.2 secs Computing kpt #: 259 total cpu time spent up to now is 511.2 secs Computing kpt #: 260 total cpu time spent up to now is 513.2 secs Computing kpt #: 261 total cpu time spent up to now is 515.2 secs Computing kpt #: 262 total cpu time spent up to now is 517.2 secs Computing kpt #: 263 total cpu time spent up to now is 519.2 secs Computing kpt #: 264 total cpu time spent up to now is 521.3 secs ethr = 1.85E-08, avg # of iterations = 28.8 total cpu time spent up to now is 521.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13719 PWs) bands (ev): -13.0823 -13.0823 -7.0460 -7.0460 -5.7507 -5.7507 -1.8717 -1.8717 -0.4960 -0.4960 -0.4024 -0.4024 0.1633 0.1633 0.3307 0.3307 0.6989 0.6989 2.1711 2.1711 2.2696 2.2696 2.3930 2.3930 2.6675 2.6675 3.2706 3.2706 3.5939 3.5939 3.9037 3.9037 4.0345 4.0345 4.1569 4.1569 4.1586 4.1586 4.1715 4.1715 4.3016 4.3016 4.4980 4.4980 4.7041 4.7041 5.0826 5.0826 5.3235 5.3235 6.5171 6.5171 6.5968 6.5968 8.7537 8.7537 10.0576 10.0576 10.0942 10.0942 10.3700 10.3700 11.2219 11.2219 k = 0.0167 0.0096-0.0000 ( 13709 PWs) bands (ev): -13.0823 -13.0823 -7.0454 -7.0454 -5.7516 -5.7516 -1.8718 -1.8718 -0.4967 -0.4967 -0.4030 -0.4030 0.1650 0.1650 0.3325 0.3325 0.7005 0.7005 2.1712 2.1712 2.2698 2.2698 2.3930 2.3930 2.6679 2.6679 3.2698 3.2698 3.5919 3.5919 3.8993 3.8993 4.0250 4.0250 4.1320 4.1320 4.1623 4.1623 4.1972 4.1972 4.3027 4.3027 4.5022 4.5022 4.7056 4.7056 5.0857 5.0857 5.3230 5.3230 6.5143 6.5143 6.5937 6.5937 8.7576 8.7576 10.0581 10.0581 10.0939 10.0939 10.3672 10.3672 11.2234 11.2234 k = 0.0333 0.0192-0.0000 ( 13721 PWs) bands (ev): -13.0822 -13.0822 -7.0436 -7.0436 -5.7546 -5.7546 -1.8723 -1.8723 -0.4989 -0.4989 -0.4048 -0.4048 0.1702 0.1702 0.3378 0.3378 0.7052 0.7052 2.1718 2.1718 2.2706 2.2706 2.3931 2.3931 2.6689 2.6689 3.2675 3.2675 3.5859 3.5859 3.8849 3.8849 4.0038 4.0038 4.1059 4.1059 4.1645 4.1645 4.2242 4.2242 4.3115 4.3115 4.5135 4.5135 4.7101 4.7101 5.0948 5.0948 5.3213 5.3213 6.5054 6.5054 6.5849 6.5849 8.7692 8.7692 10.0589 10.0589 10.0928 10.0928 10.3602 10.3602 11.2272 11.2272 k = 0.0500 0.0289-0.0000 ( 13731 PWs) bands (ev): -13.0822 -13.0822 -7.0405 -7.0405 -5.7595 -5.7595 -1.8730 -1.8730 -0.5023 -0.5023 -0.4078 -0.4078 0.1787 0.1787 0.3466 0.3466 0.7131 0.7131 2.1725 2.1725 2.2718 2.2718 2.3932 2.3932 2.6706 2.6706 3.2635 3.2635 3.5757 3.5757 3.8579 3.8579 3.9831 3.9831 4.0805 4.0805 4.1640 4.1640 4.2360 4.2360 4.3371 4.3371 4.5295 4.5295 4.7180 4.7180 5.1095 5.1095 5.3186 5.3186 6.4895 6.4895 6.5721 6.5721 8.7877 8.7877 10.0571 10.0571 10.0921 10.0921 10.3519 10.3519 11.2319 11.2319 k = 0.0667 0.0385-0.0000 ( 13735 PWs) bands (ev): -13.0821 -13.0821 -7.0363 -7.0363 -5.7663 -5.7663 -1.8740 -1.8740 -0.5069 -0.5069 -0.4116 -0.4116 0.1901 0.1901 0.3587 0.3587 0.7241 0.7241 2.1732 2.1732 2.2736 2.2736 2.3933 2.3933 2.6730 2.6730 3.2579 3.2579 3.5613 3.5613 3.8197 3.8197 3.9678 3.9678 4.0544 4.0544 4.1595 4.1595 4.2372 4.2372 4.3747 4.3747 4.5477 4.5477 4.7295 4.7295 5.1289 5.1289 5.3151 5.3151 6.4653 6.4653 6.5574 6.5574 8.8125 8.8125 10.0472 10.0472 10.0948 10.0948 10.3464 10.3464 11.2368 11.2368 k = 0.0833 0.0481-0.0000 ( 13737 PWs) bands (ev): -13.0820 -13.0820 -7.0309 -7.0309 -5.7749 -5.7749 -1.8753 -1.8753 -0.5126 -0.5126 -0.4163 -0.4163 0.2042 0.2042 0.3739 0.3739 0.7383 0.7383 2.1737 2.1737 2.2760 2.2760 2.3933 2.3933 2.6760 2.6760 3.2503 3.2503 3.5423 3.5423 3.7751 3.7751 3.9561 3.9561 4.0277 4.0277 4.1517 4.1517 4.2354 4.2354 4.4155 4.4155 4.5660 4.5660 4.7451 4.7451 5.1520 5.1520 5.3112 5.3112 6.4326 6.4326 6.5423 6.5423 8.8424 8.8424 10.0260 10.0260 10.1023 10.1023 10.3472 10.3472 11.2422 11.2422 k = 0.1000 0.0577-0.0000 ( 13735 PWs) bands (ev): -13.0818 -13.0818 -7.0243 -7.0243 -5.7855 -5.7855 -1.8767 -1.8767 -0.5190 -0.5190 -0.4214 -0.4214 0.2207 0.2207 0.3920 0.3920 0.7554 0.7554 2.1735 2.1735 2.2789 2.2789 2.3934 2.3934 2.6796 2.6796 3.2406 3.2406 3.5186 3.5186 3.7284 3.7284 3.9440 3.9440 4.0029 4.0029 4.1426 4.1426 4.2329 4.2329 4.4553 4.4553 4.5833 4.5833 4.7650 4.7650 5.1773 5.1773 5.3074 5.3074 6.3923 6.3923 6.5271 6.5271 8.8761 8.8761 9.9951 9.9951 10.1134 10.1134 10.3558 10.3558 11.2482 11.2482 k = 0.1167 0.0674-0.0000 ( 13753 PWs) bands (ev): -13.0817 -13.0817 -7.0165 -7.0165 -5.7977 -5.7977 -1.8784 -1.8784 -0.5259 -0.5259 -0.4269 -0.4269 0.2392 0.2392 0.4128 0.4128 0.7756 0.7756 2.1723 2.1723 2.2824 2.2824 2.3933 2.3933 2.6838 2.6838 3.2285 3.2285 3.4900 3.4900 3.6829 3.6829 3.9267 3.9267 3.9841 3.9841 4.1336 4.1336 4.2297 4.2297 4.4915 4.4915 4.5997 4.5997 4.7888 4.7888 5.2032 5.2032 5.3051 5.3051 6.3462 6.3462 6.5118 6.5118 8.9120 8.9120 9.9573 9.9573 10.1268 10.1268 10.3718 10.3718 11.2549 11.2549 k = 0.1333 0.0770-0.0000 ( 13765 PWs) bands (ev): -13.0815 -13.0815 -7.0076 -7.0076 -5.8117 -5.8117 -1.8801 -1.8801 -0.5332 -0.5332 -0.4326 -0.4326 0.2595 0.2595 0.4359 0.4359 0.7986 0.7986 2.1697 2.1697 2.2863 2.2863 2.3933 2.3933 2.6885 2.6885 3.2136 3.2136 3.4569 3.4569 3.6404 3.6404 3.9025 3.9025 3.9735 3.9735 4.1256 4.1256 4.2256 4.2256 4.5220 4.5220 4.6162 4.6162 4.8156 4.8156 5.2266 5.2266 5.3065 5.3065 6.2960 6.2960 6.4961 6.4961 8.9484 8.9484 9.9162 9.9162 10.1417 10.1417 10.3939 10.3939 11.2623 11.2623 k = 0.1500 0.0866-0.0000 ( 13783 PWs) bands (ev): -13.0814 -13.0814 -6.9976 -6.9976 -5.8274 -5.8274 -1.8819 -1.8819 -0.5406 -0.5406 -0.4383 -0.4383 0.2812 0.2812 0.4611 0.4611 0.8243 0.8243 2.1651 2.1651 2.2905 2.2905 2.3932 2.3932 2.6937 2.6937 3.1953 3.1953 3.4205 3.4205 3.6019 3.6019 3.8745 3.8745 3.9686 3.9686 4.1188 4.1188 4.2205 4.2205 4.5450 4.5450 4.6344 4.6344 4.8441 4.8441 5.2435 5.2435 5.3155 5.3155 6.2433 6.2433 6.4801 6.4801 8.9833 8.9833 9.8749 9.8749 10.1575 10.1575 10.4206 10.4206 11.2705 11.2705 k = 0.1667 0.0962-0.0000 ( 13783 PWs) bands (ev): -13.0812 -13.0812 -6.9865 -6.9865 -5.8445 -5.8445 -1.8837 -1.8837 -0.5480 -0.5480 -0.4440 -0.4440 0.3042 0.3042 0.4882 0.4882 0.8525 0.8525 2.1583 2.1583 2.2948 2.2948 2.3931 2.3931 2.6993 2.6993 3.1726 3.1726 3.3829 3.3829 3.5674 3.5674 3.8459 3.8459 3.9668 3.9668 4.1133 4.1133 4.2146 4.2146 4.5604 4.5604 4.6546 4.6546 4.8729 4.8729 5.2522 5.2522 5.3333 5.3333 6.1899 6.1899 6.4637 6.4637 9.0147 9.0147 9.8365 9.8365 10.1734 10.1734 10.4507 10.4507 11.2794 11.2794 k = 0.1833 0.1058-0.0000 ( 13785 PWs) bands (ev): -13.0810 -13.0810 -6.9743 -6.9743 -5.8632 -5.8632 -1.8855 -1.8855 -0.5552 -0.5552 -0.4494 -0.4494 0.3283 0.3283 0.5168 0.5168 0.8831 0.8831 2.1489 2.1489 2.2987 2.2987 2.3931 2.3931 2.7051 2.7051 3.1446 3.1446 3.3469 3.3469 3.5365 3.5365 3.8185 3.8185 3.9667 3.9667 4.1087 4.1087 4.2079 4.2079 4.5695 4.5695 4.6752 4.6752 4.9003 4.9003 5.2564 5.2564 5.3563 5.3563 6.1373 6.1373 6.4472 6.4472 9.0402 9.0402 9.8036 9.8036 10.1888 10.1888 10.4831 10.4831 11.2889 11.2889 k = 0.2000 0.1155-0.0000 ( 13791 PWs) bands (ev): -13.0807 -13.0807 -6.9610 -6.9610 -5.8831 -5.8831 -1.8873 -1.8873 -0.5620 -0.5620 -0.4546 -0.4546 0.3533 0.3533 0.5469 0.5469 0.9157 0.9157 2.1364 2.1364 2.3020 2.3020 2.3932 2.3932 2.7112 2.7112 3.1104 3.1104 3.3152 3.3152 3.5090 3.5090 3.7932 3.7932 3.9677 3.9677 4.1050 4.1050 4.2008 4.2008 4.5742 4.5742 4.6943 4.6943 4.9252 4.9252 5.2601 5.2601 5.3803 5.3803 6.0873 6.0873 6.4307 6.4307 9.0576 9.0576 9.7785 9.7785 10.2029 10.2029 10.5171 10.5171 11.2988 11.2988 k = 0.2167 0.1251-0.0000 ( 13789 PWs) bands (ev): -13.0805 -13.0805 -6.9469 -6.9469 -5.9043 -5.9043 -1.8890 -1.8890 -0.5685 -0.5685 -0.4594 -0.4594 0.3789 0.3789 0.5782 0.5782 0.9501 0.9501 2.1207 2.1207 2.3043 2.3043 2.3935 2.3935 2.7173 2.7173 3.0700 3.0700 3.2893 3.2893 3.4845 3.4845 3.7703 3.7703 3.9693 3.9693 4.1018 4.1018 4.1937 4.1937 4.5761 4.5761 4.7101 4.7101 4.9463 4.9463 5.2656 5.2656 5.4027 5.4027 6.0418 6.0418 6.4143 6.4143 9.0651 9.0651 9.7628 9.7628 10.2152 10.2152 10.5520 10.5520 11.3089 11.3089 k = 0.2333 0.1347-0.0000 ( 13787 PWs) bands (ev): -13.0803 -13.0803 -6.9317 -6.9317 -5.9265 -5.9265 -1.8906 -1.8906 -0.5746 -0.5746 -0.4638 -0.4638 0.4051 0.4051 0.6105 0.6105 0.9859 0.9859 2.1016 2.1016 2.3053 2.3053 2.3939 2.3939 2.7234 2.7234 3.0244 3.0244 3.2696 3.2696 3.4632 3.4632 3.7499 3.7499 3.9712 3.9712 4.0989 4.0989 4.1871 4.1871 4.5759 4.5759 4.7217 4.7217 4.9627 4.9627 5.2738 5.2738 5.4223 5.4223 6.0026 6.0026 6.3982 6.3982 9.0622 9.0622 9.7568 9.7568 10.2250 10.2250 10.5873 10.5873 11.3190 11.3190 k = 0.2500 0.1443-0.0000 ( 13779 PWs) bands (ev): -13.0801 -13.0801 -6.9158 -6.9158 -5.9497 -5.9497 -1.8921 -1.8921 -0.5802 -0.5802 -0.4677 -0.4677 0.4317 0.4317 0.6439 0.6439 1.0228 1.0228 2.0789 2.0789 2.3050 2.3050 2.3943 2.3943 2.7291 2.7291 2.9752 2.9752 3.2555 3.2555 3.4452 3.4452 3.7321 3.7321 3.9731 3.9731 4.0958 4.0958 4.1815 4.1815 4.5742 4.5742 4.7286 4.7286 4.9740 4.9740 5.2844 5.2844 5.4383 5.4383 5.9712 5.9712 6.3825 6.3825 9.0494 9.0494 9.7593 9.7593 10.2323 10.2323 10.6226 10.6226 11.3287 11.3287 k = 0.2667 0.1540-0.0000 ( 13789 PWs) bands (ev): -13.0798 -13.0798 -6.8990 -6.8990 -5.9737 -5.9737 -1.8934 -1.8934 -0.5853 -0.5853 -0.4710 -0.4710 0.4584 0.4584 0.6782 0.6782 1.0605 1.0605 2.0530 2.0530 2.3032 2.3032 2.3943 2.3943 2.7344 2.7344 2.9242 2.9242 3.2461 3.2461 3.4309 3.4309 3.7167 3.7167 3.9744 3.9744 4.0923 4.0923 4.1777 4.1777 4.5711 4.5711 4.7305 4.7305 4.9798 4.9798 5.2967 5.2967 5.4508 5.4508 5.9489 5.9489 6.3673 6.3673 9.0283 9.0283 9.7679 9.7679 10.2372 10.2372 10.6574 10.6574 11.3379 11.3379 k = 0.2833 0.1636-0.0000 ( 13767 PWs) bands (ev): -13.0796 -13.0796 -6.8815 -6.8815 -5.9983 -5.9983 -1.8946 -1.8946 -0.5900 -0.5900 -0.4739 -0.4739 0.4851 0.4851 0.7133 0.7133 1.0983 1.0983 2.0241 2.0241 2.3000 2.3000 2.3939 2.3939 2.7386 2.7386 2.8731 2.8731 3.2407 3.2407 3.4205 3.4205 3.7033 3.7033 3.9750 3.9750 4.0879 4.0879 4.1761 4.1761 4.5668 4.5668 4.7277 4.7277 4.9801 4.9801 5.3094 5.3094 5.4610 5.4610 5.9358 5.9358 6.3529 6.3529 9.0009 9.0009 9.7797 9.7797 10.2406 10.2406 10.6916 10.6916 11.3465 11.3465 k = 0.3000 0.1732-0.0000 ( 13759 PWs) bands (ev): -13.0794 -13.0794 -6.8635 -6.8635 -6.0233 -6.0233 -1.8957 -1.8957 -0.5942 -0.5942 -0.4762 -0.4762 0.5115 0.5115 0.7492 0.7492 1.1359 1.1359 1.9926 1.9926 2.2954 2.2954 2.3926 2.3926 2.7403 2.7403 2.8245 2.8245 3.2385 3.2385 3.4143 3.4143 3.6920 3.6920 3.9745 3.9745 4.0826 4.0826 4.1773 4.1773 4.5613 4.5613 4.7208 4.7208 4.9748 4.9748 5.3214 5.3214 5.4706 5.4706 5.9313 5.9313 6.3392 6.3392 8.9695 8.9695 9.7913 9.7913 10.2438 10.2438 10.7246 10.7246 11.3544 11.3544 k = 0.3167 0.1828-0.0000 ( 13759 PWs) bands (ev): -13.0792 -13.0792 -6.8450 -6.8450 -6.0486 -6.0486 -1.8966 -1.8966 -0.5981 -0.5981 -0.4779 -0.4779 0.5373 0.5373 0.7858 0.7858 1.1726 1.1726 1.9594 1.9594 2.2895 2.2895 2.3902 2.3902 2.7327 2.7327 2.7859 2.7859 3.2390 3.2390 3.4122 3.4122 3.6827 3.6827 3.9725 3.9725 4.0765 4.0765 4.1813 4.1813 4.5545 4.5545 4.7105 4.7105 4.9641 4.9641 5.3318 5.3318 5.4811 5.4811 5.9338 5.9338 6.3265 6.3265 8.9357 8.9357 9.8001 9.8001 10.2484 10.2484 10.7561 10.7561 11.3611 11.3611 k = 0.3333 0.1925-0.0000 ( 13763 PWs) bands (ev): -13.0790 -13.0790 -6.8261 -6.8261 -6.0738 -6.0738 -1.8974 -1.8974 -0.6015 -0.6015 -0.4791 -0.4791 0.5624 0.5624 0.8231 0.8231 1.2078 1.2078 1.9252 1.9252 2.2823 2.2823 2.3863 2.3863 2.7027 2.7027 2.7715 2.7715 3.2415 3.2415 3.4138 3.4138 3.6755 3.6755 3.9689 3.9689 4.0698 4.0698 4.1880 4.1880 4.5462 4.5462 4.6975 4.6975 4.9488 4.9488 5.3406 5.3406 5.4934 5.4934 5.9415 5.9415 6.3147 6.3147 8.9012 8.9012 9.8042 9.8042 10.2561 10.2561 10.7857 10.7857 11.3660 11.3660 k = 0.3500 0.2021-0.0000 ( 13769 PWs) bands (ev): -13.0788 -13.0788 -6.8072 -6.8072 -6.0988 -6.0988 -1.8981 -1.8981 -0.6046 -0.6046 -0.4799 -0.4799 0.5865 0.5865 0.8609 0.8609 1.2404 1.2404 1.8912 1.8912 2.2739 2.2739 2.3806 2.3806 2.6620 2.6620 2.7704 2.7704 3.2459 3.2459 3.4181 3.4181 3.6708 3.6708 3.9634 3.9634 4.0631 4.0631 4.1973 4.1973 4.5364 4.5364 4.6828 4.6828 4.9299 4.9299 5.3483 5.3483 5.5073 5.5073 5.9527 5.9527 6.3041 6.3041 8.8671 8.8671 9.8025 9.8025 10.2677 10.2677 10.8130 10.8130 11.3681 11.3681 k = 0.3667 0.2117-0.0000 ( 13763 PWs) bands (ev): -13.0786 -13.0786 -6.7885 -6.7885 -6.1232 -6.1232 -1.8986 -1.8986 -0.6073 -0.6073 -0.4803 -0.4803 0.6092 0.6092 0.8992 0.8992 1.2695 1.2695 1.8587 1.8587 2.2645 2.2645 2.3728 2.3728 2.6221 2.6221 2.7723 2.7723 3.2517 3.2517 3.4241 3.4241 3.6690 3.6690 3.9557 3.9557 4.0565 4.0565 4.2087 4.2087 4.5249 4.5249 4.6671 4.6671 4.9088 4.9088 5.3553 5.3553 5.5222 5.5222 5.9658 5.9658 6.2946 6.2946 8.8343 8.8343 9.7955 9.7955 10.2832 10.2832 10.8378 10.8378 11.3666 11.3666 k = 0.3833 0.2213-0.0000 ( 13755 PWs) bands (ev): -13.0784 -13.0784 -6.7701 -6.7701 -6.1467 -6.1467 -1.8990 -1.8990 -0.6097 -0.6097 -0.4804 -0.4804 0.6302 0.6302 0.9378 0.9378 1.2935 1.2935 1.8290 1.8290 2.2542 2.2542 2.3625 2.3625 2.5865 2.5865 2.7747 2.7747 3.2587 3.2587 3.4304 3.4304 3.6709 3.6709 3.9458 3.9458 4.0504 4.0504 4.2221 4.2221 4.5116 4.5116 4.6510 4.6510 4.8871 4.8871 5.3620 5.3620 5.5372 5.5372 5.9794 5.9794 6.2863 6.2863 8.8036 8.8036 9.7842 9.7842 10.3019 10.3019 10.8597 10.8597 11.3611 11.3611 k = 0.4000 0.2309-0.0000 ( 13759 PWs) bands (ev): -13.0783 -13.0783 -6.7526 -6.7526 -6.1688 -6.1688 -1.8994 -1.8994 -0.6117 -0.6117 -0.4802 -0.4802 0.6492 0.6492 0.9765 0.9765 1.3111 1.3111 1.8039 1.8039 2.2431 2.2431 2.3497 2.3497 2.5567 2.5567 2.7772 2.7772 3.2666 3.2666 3.4354 3.4354 3.6771 3.6771 3.9337 3.9337 4.0449 4.0449 4.2370 4.2370 4.4965 4.4965 4.6354 4.6354 4.8663 4.8663 5.3684 5.3684 5.5515 5.5515 5.9927 5.9927 6.2794 6.2794 8.7757 8.7757 9.7704 9.7704 10.3223 10.3223 10.8787 10.8787 11.3522 11.3522 k = 0.4167 0.2406-0.0000 ( 13757 PWs) bands (ev): -13.0781 -13.0781 -6.7362 -6.7362 -6.1890 -6.1890 -1.8997 -1.8997 -0.6135 -0.6135 -0.4798 -0.4798 0.6660 0.6660 1.0149 1.0149 1.3206 1.3206 1.7847 1.7847 2.2315 2.2315 2.3351 2.3351 2.5332 2.5332 2.7795 2.7795 3.2752 3.2752 3.4384 3.4384 3.6879 3.6879 3.9192 3.9192 4.0401 4.0401 4.2533 4.2533 4.4800 4.4800 4.6207 4.6207 4.8475 4.8475 5.3743 5.3743 5.5646 5.5646 6.0048 6.0048 6.2737 6.2737 8.7512 8.7512 9.7558 9.7558 10.3430 10.3430 10.8948 10.8948 11.3408 11.3408 k = 0.4333 0.2502-0.0000 ( 13742 PWs) bands (ev): -13.0780 -13.0780 -6.7217 -6.7217 -6.2069 -6.2069 -1.8999 -1.8999 -0.6149 -0.6149 -0.4794 -0.4794 0.6802 0.6802 1.0526 1.0526 1.3215 1.3215 1.7720 1.7720 2.2197 2.2197 2.3200 2.3200 2.5159 2.5159 2.7815 2.7815 3.2839 3.2839 3.4390 3.4390 3.7029 3.7029 3.9027 3.9027 4.0362 4.0362 4.2705 4.2705 4.4623 4.4623 4.6076 4.6076 4.8316 4.8316 5.3795 5.3795 5.5758 5.5758 6.0152 6.0152 6.2693 6.2693 8.7304 8.7304 9.7418 9.7418 10.3625 10.3625 10.9078 10.9078 11.3285 11.3285 k = 0.4500 0.2598-0.0000 ( 13746 PWs) bands (ev): -13.0780 -13.0780 -6.7094 -6.7094 -6.2217 -6.2217 -1.9000 -1.9000 -0.6160 -0.6160 -0.4790 -0.4790 0.6916 0.6916 1.0884 1.0884 1.3143 1.3143 1.7653 1.7653 2.2084 2.2084 2.3064 2.3064 2.5039 2.5039 2.7830 2.7830 3.2920 3.2920 3.4377 3.4377 3.7210 3.7210 3.8846 3.8846 4.0331 4.0331 4.2879 4.2879 4.4442 4.4442 4.5966 4.5966 4.8190 4.8190 5.3838 5.3838 5.5849 5.5849 6.0235 6.0235 6.2661 6.2661 8.7138 8.7138 9.7297 9.7297 10.3793 10.3793 10.9180 10.9180 11.3167 11.3167 k = 0.4667 0.2694-0.0000 ( 13754 PWs) bands (ev): -13.0779 -13.0779 -6.7001 -6.7001 -6.2329 -6.2329 -1.9001 -1.9001 -0.6168 -0.6168 -0.4787 -0.4787 0.6999 0.6999 1.1206 1.1206 1.3013 1.3013 1.7629 1.7629 2.1986 2.1986 2.2957 2.2957 2.4962 2.4962 2.7842 2.7842 3.2988 3.2988 3.4355 3.4355 3.7403 3.7403 3.8661 3.8661 4.0309 4.0309 4.3045 4.3045 4.4270 4.4270 4.5883 4.5883 4.8100 4.8100 5.3870 5.3870 5.5916 5.5916 6.0296 6.0296 6.2639 6.2639 8.7017 8.7017 9.7204 9.7204 10.3924 10.3924 10.9252 10.9252 11.3070 11.3070 k = 0.4833 0.2791-0.0000 ( 13748 PWs) bands (ev): -13.0779 -13.0779 -6.6942 -6.6942 -6.2399 -6.2399 -1.9002 -1.9002 -0.6173 -0.6173 -0.4785 -0.4785 0.7049 0.7049 1.1453 1.1453 1.2876 1.2876 1.7627 1.7627 2.1918 2.1918 2.2891 2.2891 2.4919 2.4919 2.7849 2.7849 3.3034 3.3034 3.4335 3.4335 3.7572 3.7572 3.8499 3.8499 4.0296 4.0296 4.3177 4.3177 4.4133 4.4133 4.5832 4.5832 4.8046 4.8046 5.3890 5.3890 5.5956 5.5956 6.0332 6.0332 6.2627 6.2627 8.6943 8.6943 9.7146 9.7146 10.4006 10.4006 10.9295 10.9295 11.3006 11.3006 k = 0.5000 0.2887-0.0000 ( 13736 PWs) bands (ev): -13.0778 -13.0778 -6.6922 -6.6922 -6.2423 -6.2423 -1.9002 -1.9002 -0.6174 -0.6174 -0.4784 -0.4784 0.7066 0.7066 1.1553 1.1553 1.2812 1.2812 1.7629 1.7629 2.1894 2.1894 2.2869 2.2869 2.4905 2.4905 2.7852 2.7852 3.3050 3.3050 3.4327 3.4327 3.7648 3.7648 3.8427 3.8427 4.0292 4.0292 4.3232 4.3232 4.4077 4.4077 4.5815 4.5815 4.8028 4.8028 5.3897 5.3897 5.5970 5.5970 6.0345 6.0345 6.2623 6.2623 8.6919 8.6919 9.7126 9.7126 10.4035 10.4035 10.9310 10.9310 11.2984 11.2984 k = 0.5000 0.2887-0.0000 ( 13736 PWs) bands (ev): -13.0778 -13.0778 -6.6922 -6.6922 -6.2423 -6.2423 -1.9002 -1.9002 -0.6174 -0.6174 -0.4784 -0.4784 0.7066 0.7066 1.1553 1.1553 1.2812 1.2812 1.7629 1.7629 2.1894 2.1894 2.2869 2.2869 2.4905 2.4905 2.7852 2.7852 3.3050 3.3050 3.4327 3.4327 3.7648 3.7648 3.8427 3.8427 4.0292 4.0292 4.3232 4.3232 4.4077 4.4077 4.5815 4.5815 4.8028 4.8028 5.3897 5.3897 5.5970 5.5970 6.0345 6.0345 6.2623 6.2623 8.6919 8.6919 9.7126 9.7126 10.4035 10.4035 10.9310 10.9310 11.2984 11.2984 k = 0.4902 0.3057-0.0000 ( 13738 PWs) bands (ev): -13.0778 -13.0778 -6.6914 -6.6914 -6.2433 -6.2433 -1.9000 -1.9000 -0.6168 -0.6168 -0.4784 -0.4784 0.7057 0.7057 1.1554 1.1554 1.2819 1.2819 1.7633 1.7633 2.1884 2.1884 2.2839 2.2839 2.4934 2.4934 2.7855 2.7855 3.3046 3.3046 3.4331 3.4331 3.7583 3.7583 3.8499 3.8499 4.0295 4.0295 4.3230 4.3230 4.4076 4.4076 4.5809 4.5809 4.8032 4.8032 5.3917 5.3917 5.5968 5.5968 6.0333 6.0333 6.2574 6.2574 8.6987 8.6987 9.7110 9.7110 10.3968 10.3968 10.9298 10.9298 11.3020 11.3020 k = 0.4804 0.3226-0.0000 ( 13744 PWs) bands (ev): -13.0778 -13.0778 -6.6890 -6.6890 -6.2461 -6.2461 -1.8997 -1.8997 -0.6148 -0.6148 -0.4783 -0.4783 0.7029 0.7029 1.1558 1.1558 1.2839 1.2839 1.7648 1.7648 2.1852 2.1852 2.2754 2.2754 2.5017 2.5017 2.7867 2.7867 3.3033 3.3033 3.4343 3.4343 3.7434 3.7434 3.8671 3.8671 4.0307 4.0307 4.3225 4.3225 4.4076 4.4076 4.5792 4.5792 4.8044 4.8044 5.3977 5.3977 5.5960 5.5960 6.0296 6.0296 6.2432 6.2432 8.7189 8.7189 9.7063 9.7063 10.3773 10.3773 10.9268 10.9268 11.3121 11.3121 k = 0.4706 0.3396-0.0000 ( 13754 PWs) bands (ev): -13.0778 -13.0778 -6.6851 -6.6851 -6.2509 -6.2509 -1.8991 -1.8991 -0.6115 -0.6115 -0.4781 -0.4781 0.6984 0.6984 1.1567 1.1567 1.2871 1.2871 1.7671 1.7671 2.1800 2.1800 2.2625 2.2625 2.5143 2.5143 2.7884 2.7884 3.3013 3.3013 3.4361 3.4361 3.7255 3.7255 3.8886 3.8886 4.0328 4.0328 4.3216 4.3216 4.4074 4.4074 4.5765 4.5765 4.8066 4.8066 5.4073 5.4073 5.5945 5.5945 6.0231 6.0231 6.2212 6.2212 8.7516 8.7516 9.6988 9.6988 10.3467 10.3467 10.9226 10.9226 11.3273 11.3273 k = 0.4608 0.3566-0.0000 ( 13754 PWs) bands (ev): -13.0778 -13.0778 -6.6796 -6.6796 -6.2575 -6.2575 -1.8982 -1.8982 -0.6071 -0.6071 -0.4779 -0.4779 0.6923 0.6923 1.1580 1.1580 1.2912 1.2912 1.7704 1.7704 2.1729 2.1729 2.2465 2.2465 2.5300 2.5300 2.7907 2.7907 3.2986 3.2986 3.4384 3.4384 3.7069 3.7069 3.9114 3.9114 4.0361 4.0361 4.3204 4.3204 4.4071 4.4071 4.5730 4.5730 4.8100 4.8100 5.4199 5.4199 5.5917 5.5917 6.0132 6.0132 6.1938 6.1938 8.7951 8.7951 9.6888 9.6888 10.3072 10.3072 10.9184 10.9184 11.3453 11.3453 k = 0.4510 0.3736-0.0000 ( 13762 PWs) bands (ev): -13.0778 -13.0778 -6.6725 -6.6725 -6.2659 -6.2659 -1.8972 -1.8972 -0.6017 -0.6017 -0.4776 -0.4776 0.6851 0.6851 1.1600 1.1600 1.2960 1.2960 1.7746 1.7746 2.1640 2.1640 2.2285 2.2285 2.5478 2.5478 2.7934 2.7934 3.2956 3.2956 3.4409 3.4409 3.6886 3.6886 3.9338 3.9338 4.0413 4.0413 4.3192 4.3192 4.4066 4.4066 4.5692 4.5692 4.8148 4.8148 5.4343 5.4343 5.5873 5.5873 5.9990 5.9990 6.1643 6.1643 8.8478 8.8478 9.6767 9.6767 10.2610 10.2610 10.9151 10.9151 11.3639 11.3639 k = 0.4412 0.3906-0.0000 ( 13746 PWs) bands (ev): -13.0777 -13.0777 -6.6639 -6.6639 -6.2761 -6.2761 -1.8961 -1.8961 -0.5955 -0.5955 -0.4772 -0.4772 0.6769 0.6769 1.1626 1.1626 1.3015 1.3015 1.7796 1.7796 2.1534 2.1534 2.2092 2.2092 2.5668 2.5668 2.7961 2.7961 3.2924 3.2924 3.4434 3.4434 3.6710 3.6710 3.9544 3.9544 4.0491 4.0491 4.3180 4.3180 4.4058 4.4058 4.5654 4.5654 4.8214 4.8214 5.4490 5.4490 5.5810 5.5810 5.9800 5.9800 6.1362 6.1362 8.9075 8.9075 9.6633 9.6633 10.2105 10.2105 10.9138 10.9138 11.3804 11.3804 k = 0.4314 0.4075-0.0000 ( 13758 PWs) bands (ev): -13.0777 -13.0777 -6.6538 -6.6538 -6.2880 -6.2880 -1.8948 -1.8948 -0.5886 -0.5886 -0.4768 -0.4768 0.6681 0.6681 1.1658 1.1658 1.3073 1.3073 1.7853 1.7853 2.1411 2.1411 2.1897 2.1897 2.5865 2.5865 2.7988 2.7988 3.2892 3.2892 3.4457 3.4457 3.6544 3.6544 3.9715 3.9715 4.0605 4.0605 4.3171 4.3171 4.4045 4.4045 4.5620 4.5620 4.8298 4.8298 5.4605 5.4605 5.5742 5.5742 5.9565 5.9565 6.1121 6.1121 8.9719 8.9719 9.6492 9.6492 10.1577 10.1577 10.9151 10.9151 11.3925 11.3925 k = 0.4216 0.4245-0.0000 ( 13756 PWs) bands (ev): -13.0776 -13.0776 -6.6422 -6.6422 -6.3014 -6.3014 -1.8935 -1.8935 -0.5814 -0.5814 -0.4763 -0.4763 0.6593 0.6593 1.1694 1.1694 1.3135 1.3135 1.7916 1.7916 2.1270 2.1270 2.1707 2.1707 2.6065 2.6065 2.8011 2.8011 3.2862 3.2862 3.4474 3.4474 3.6390 3.6390 3.9844 3.9844 4.0758 4.0758 4.3167 4.3167 4.4028 4.4028 4.5594 4.5594 4.8405 4.8405 5.4624 5.4624 5.5710 5.5710 5.9307 5.9307 6.0928 6.0928 9.0387 9.0387 9.6353 9.6353 10.1041 10.1041 10.9196 10.9196 11.3984 11.3984 k = 0.4118 0.4415-0.0000 ( 13748 PWs) bands (ev): -13.0776 -13.0776 -6.6292 -6.6292 -6.3164 -6.3164 -1.8922 -1.8922 -0.5740 -0.5740 -0.4758 -0.4758 0.6506 0.6506 1.1732 1.1732 1.3201 1.3201 1.7985 1.7985 2.1112 2.1112 2.1527 2.1527 2.6264 2.6264 2.8030 2.8030 3.2835 3.2835 3.4482 3.4482 3.6249 3.6249 3.9933 3.9933 4.0938 4.0938 4.3173 4.3173 4.4005 4.4005 4.5581 4.5581 4.8534 4.8534 5.4475 5.4475 5.5770 5.5770 5.9057 5.9057 6.0778 6.0778 9.1054 9.1054 9.6226 9.6226 10.0510 10.0510 10.9278 10.9278 11.3970 11.3970 k = 0.4020 0.4585-0.0000 ( 13736 PWs) bands (ev): -13.0775 -13.0775 -6.6147 -6.6147 -6.3328 -6.3328 -1.8910 -1.8910 -0.5668 -0.5668 -0.4752 -0.4752 0.6426 0.6426 1.1770 1.1770 1.3271 1.3271 1.8056 1.8056 2.0942 2.0942 2.1361 2.1361 2.6458 2.6458 2.8042 2.8042 3.2815 3.2815 3.4479 3.4479 3.6125 3.6125 3.9993 3.9993 4.1129 4.1129 4.3190 4.3190 4.3974 4.3974 4.5582 4.5582 4.8687 4.8687 5.4159 5.4159 5.5917 5.5917 5.8836 5.8836 6.0660 6.0660 9.1693 9.1693 9.6122 9.6122 9.9998 9.9998 10.9402 10.9402 11.3888 11.3888 k = 0.3922 0.4755-0.0000 ( 13744 PWs) bands (ev): -13.0775 -13.0775 -6.5989 -6.5989 -6.3504 -6.3504 -1.8898 -1.8898 -0.5601 -0.5601 -0.4746 -0.4746 0.6355 0.6355 1.1805 1.1805 1.3343 1.3343 1.8128 1.8128 2.0769 2.0769 2.1209 2.1209 2.6643 2.6643 2.8045 2.8045 3.2801 3.2801 3.4463 3.4463 3.6020 3.6020 4.0034 4.0034 4.1315 4.1315 4.3222 4.3222 4.3934 4.3934 4.5601 4.5601 4.8864 4.8864 5.3723 5.3723 5.6110 5.6110 5.8652 5.8652 6.0568 6.0568 9.2275 9.2275 9.6056 9.6056 9.9512 9.9512 10.9569 10.9569 11.3754 11.3754 k = 0.3824 0.4924-0.0000 ( 13742 PWs) bands (ev): -13.0774 -13.0774 -6.5818 -6.5818 -6.3693 -6.3693 -1.8888 -1.8888 -0.5540 -0.5540 -0.4739 -0.4739 0.6296 0.6296 1.1835 1.1835 1.3418 1.3418 1.8197 1.8197 2.0604 2.0604 2.1068 2.1068 2.6817 2.6817 2.8039 2.8039 3.2795 3.2795 3.4433 3.4433 3.5935 3.5935 4.0062 4.0062 4.1485 4.1485 4.3267 4.3267 4.3886 4.3886 4.5636 4.5636 4.9066 4.9066 5.3216 5.3216 5.6318 5.6318 5.8502 5.8502 6.0495 6.0495 9.2772 9.2772 9.6042 9.6042 9.9062 9.9062 10.9776 10.9776 11.3597 11.3597 k = 0.3725 0.5094-0.0000 ( 13736 PWs) bands (ev): -13.0774 -13.0774 -6.5633 -6.5633 -6.3893 -6.3893 -1.8879 -1.8879 -0.5489 -0.5489 -0.4732 -0.4732 0.6250 0.6250 1.1859 1.1859 1.3492 1.3492 1.8258 1.8258 2.0458 2.0458 2.0939 2.0939 2.6976 2.6976 2.8023 2.8023 3.2797 3.2797 3.4393 3.4393 3.5871 3.5871 4.0080 4.0080 4.1633 4.1633 4.3325 4.3325 4.3830 4.3830 4.5685 4.5685 4.9291 4.9291 5.2677 5.2677 5.6524 5.6524 5.8377 5.8377 6.0441 6.0441 9.3157 9.3157 9.6092 9.6092 9.8655 9.8655 11.0012 11.0012 11.3454 11.3454 k = 0.3627 0.5264-0.0000 ( 13744 PWs) bands (ev): -13.0774 -13.0774 -6.5437 -6.5437 -6.4103 -6.4103 -1.8872 -1.8872 -0.5448 -0.5448 -0.4726 -0.4726 0.6217 0.6217 1.1877 1.1877 1.3561 1.3561 1.8309 1.8309 2.0341 2.0341 2.0823 2.0823 2.7115 2.7115 2.7999 2.7999 3.2805 3.2805 3.4346 3.4346 3.5825 3.5825 4.0092 4.0092 4.1753 4.1753 4.3389 4.3389 4.3771 4.3771 4.5741 4.5741 4.9534 4.9534 5.2143 5.2143 5.6712 5.6712 5.8272 5.8272 6.0402 6.0402 9.3422 9.3422 9.6202 9.6202 9.8303 9.8303 11.0254 11.0254 11.3374 11.3374 k = 0.3529 0.5434-0.0000 ( 13744 PWs) bands (ev): -13.0773 -13.0773 -6.5228 -6.5228 -6.4321 -6.4321 -1.8866 -1.8866 -0.5420 -0.5420 -0.4720 -0.4720 0.6197 0.6197 1.1889 1.1889 1.3618 1.3618 1.8345 1.8345 2.0259 2.0259 2.0727 2.0727 2.7227 2.7227 2.7969 2.7969 3.2818 3.2818 3.4302 3.4302 3.5796 3.5796 4.0099 4.0099 4.1843 4.1843 4.3453 4.3453 4.3711 4.3711 4.5794 4.5794 4.9784 4.9784 5.1657 5.1657 5.6870 5.6870 5.8184 5.8184 6.0378 6.0378 9.3577 9.3577 9.6342 9.6342 9.8020 9.8020 11.0462 11.0462 11.3413 11.3413 k = 0.3431 0.5604-0.0000 ( 13748 PWs) bands (ev): -13.0773 -13.0773 -6.5009 -6.5009 -6.4547 -6.4547 -1.8863 -1.8863 -0.5403 -0.5403 -0.4716 -0.4716 0.6187 0.6187 1.1896 1.1896 1.3656 1.3656 1.8366 1.8366 2.0213 2.0213 2.0660 2.0660 2.7303 2.7303 2.7944 2.7944 3.2830 3.2830 3.4268 3.4268 3.5781 3.5781 4.0103 4.0103 4.1901 4.1901 4.3510 4.3510 4.3658 4.3658 4.5833 4.5833 5.0003 5.0003 5.1279 5.1279 5.6977 5.6977 5.8123 5.8123 6.0365 6.0365 9.3650 9.3650 9.6461 9.6461 9.7832 9.7832 11.0595 11.0595 11.3614 11.3614 k = 0.3333 0.5774-0.0000 ( 13734 PWs) bands (ev): -13.0773 -13.0773 -6.4780 -6.4780 -6.4778 -6.4778 -1.8862 -1.8862 -0.5397 -0.5397 -0.4715 -0.4715 0.6185 0.6185 1.1899 1.1899 1.3670 1.3670 1.8373 1.8373 2.0199 2.0199 2.0634 2.0634 2.7330 2.7330 2.7933 2.7933 3.2835 3.2835 3.4255 3.4255 3.5776 3.5776 4.0104 4.0104 4.1922 4.1922 4.3538 4.3538 4.3631 4.3631 4.5848 4.5848 5.0099 5.0099 5.1126 5.1126 5.7015 5.7015 5.8101 5.8101 6.0361 6.0361 9.3669 9.3669 9.6507 9.6507 9.7767 9.7767 11.0637 11.0637 11.3872 11.3872 k = 0.3333 0.5774-0.0000 ( 13734 PWs) bands (ev): -13.0773 -13.0773 -6.4780 -6.4780 -6.4778 -6.4778 -1.8862 -1.8862 -0.5397 -0.5397 -0.4715 -0.4715 0.6185 0.6185 1.1899 1.1899 1.3670 1.3670 1.8373 1.8373 2.0199 2.0199 2.0634 2.0634 2.7330 2.7330 2.7933 2.7933 3.2835 3.2835 3.4255 3.4255 3.5776 3.5776 4.0104 4.0104 4.1922 4.1922 4.3538 4.3538 4.3631 4.3631 4.5848 4.5848 5.0099 5.0099 5.1126 5.1126 5.7015 5.7015 5.8101 5.8101 6.0361 6.0361 9.3669 9.3669 9.6507 9.6507 9.7767 9.7767 11.0637 11.0637 11.3872 11.3872 k = 0.3235 0.5604-0.0000 ( 13745 PWs) bands (ev): -13.0773 -13.0773 -6.5016 -6.5016 -6.4539 -6.4539 -1.8863 -1.8863 -0.5402 -0.5402 -0.4716 -0.4716 0.6186 0.6186 1.1896 1.1896 1.3655 1.3655 1.8367 1.8367 2.0212 2.0212 2.0663 2.0663 2.7303 2.7303 2.7944 2.7944 3.2828 3.2828 3.4270 3.4270 3.5780 3.5780 4.0103 4.0103 4.1900 4.1900 4.3510 4.3510 4.3657 4.3657 4.5833 4.5833 5.0025 5.0025 5.1261 5.1261 5.6977 5.6977 5.8122 5.8122 6.0364 6.0364 9.3656 9.3656 9.6467 9.6467 9.7823 9.7823 11.0605 11.0605 11.3545 11.3545 k = 0.3137 0.5434-0.0000 ( 13737 PWs) bands (ev): -13.0773 -13.0773 -6.5258 -6.5258 -6.4290 -6.4290 -1.8866 -1.8866 -0.5417 -0.5417 -0.4721 -0.4721 0.6185 0.6185 1.1883 1.1883 1.3612 1.3612 1.8349 1.8349 2.0253 2.0253 2.0750 2.0750 2.7226 2.7226 2.7973 2.7973 3.2806 3.2806 3.4314 3.4314 3.5794 3.5794 4.0101 4.0101 4.1832 4.1832 4.3447 4.3447 4.3711 4.3711 4.5796 4.5796 4.9907 4.9907 5.1559 5.1559 5.6872 5.6872 5.8175 5.8175 6.0371 6.0371 9.3623 9.3623 9.6373 9.6373 9.7962 9.7962 11.0532 11.0532 11.3116 11.3116 k = 0.3039 0.5264-0.0000 ( 13741 PWs) bands (ev): -13.0774 -13.0774 -6.5502 -6.5502 -6.4033 -6.4033 -1.8871 -1.8871 -0.5441 -0.5441 -0.4727 -0.4727 0.6178 0.6178 1.1853 1.1853 1.3546 1.3546 1.8321 1.8321 2.0328 2.0328 2.0891 2.0891 2.7113 2.7113 2.8010 2.8010 3.2769 3.2769 3.4383 3.4383 3.5819 3.5819 4.0096 4.0096 4.1718 4.1718 4.3353 4.3353 4.3785 4.3785 4.5751 4.5751 4.9833 4.9833 5.1923 5.1923 5.6717 5.6717 5.8242 5.8242 6.0382 6.0382 9.3580 9.3580 9.6260 9.6260 9.8146 9.8146 11.0441 11.0441 11.2718 11.2718 k = 0.2941 0.5094-0.0000 ( 13739 PWs) bands (ev): -13.0774 -13.0774 -6.5749 -6.5749 -6.3769 -6.3769 -1.8877 -1.8877 -0.5471 -0.5471 -0.4736 -0.4736 0.6159 0.6159 1.1795 1.1795 1.3467 1.3467 1.8284 1.8284 2.0442 2.0442 2.1084 2.1084 2.6974 2.6974 2.8047 2.8047 3.2720 3.2720 3.4466 3.4466 3.5859 3.5859 4.0088 4.0088 4.1565 4.1565 4.3224 4.3224 4.3880 4.3880 4.5718 4.5718 4.9819 4.9819 5.2315 5.2315 5.6530 5.6530 5.8309 5.8309 6.0396 6.0396 9.3533 9.3533 9.6146 9.6146 9.8360 9.8360 11.0349 11.0349 11.2365 11.2365 k = 0.2843 0.4924-0.0000 ( 13751 PWs) bands (ev): -13.0775 -13.0775 -6.5997 -6.5997 -6.3498 -6.3498 -1.8884 -1.8884 -0.5508 -0.5508 -0.4745 -0.4745 0.6126 0.6126 1.1695 1.1695 1.3386 1.3386 1.8245 1.8245 2.0590 2.0590 2.1325 2.1325 2.6820 2.6820 2.8080 2.8080 3.2665 3.2665 3.4547 3.4547 3.5922 3.5922 4.0074 4.0074 4.1382 4.1382 4.3066 4.3066 4.3994 4.3994 4.5712 4.5712 4.9856 4.9856 5.2718 5.2718 5.6319 5.6319 5.8369 5.8369 6.0414 6.0414 9.3485 9.3485 9.6035 9.6035 9.8599 9.8599 11.0265 11.0265 11.2058 11.2058 k = 0.2745 0.4755-0.0000 ( 13757 PWs) bands (ev): -13.0776 -13.0776 -6.6245 -6.6245 -6.3221 -6.3221 -1.8892 -1.8892 -0.5548 -0.5548 -0.4755 -0.4755 0.6076 0.6076 1.1543 1.1543 1.3310 1.3310 1.8216 1.8216 2.0764 2.0764 2.1616 2.1616 2.6654 2.6654 2.8107 2.8107 3.2609 3.2609 3.4609 3.4609 3.6012 3.6012 4.0049 4.0049 4.1184 4.1184 4.2891 4.2891 4.4123 4.4123 4.5737 4.5737 4.9930 4.9930 5.3117 5.3117 5.6093 5.6093 5.8416 5.8416 6.0439 6.0439 9.3440 9.3440 9.5927 9.5927 9.8861 9.8861 11.0195 11.0195 11.1799 11.1799 k = 0.2647 0.4585-0.0000 ( 13743 PWs) bands (ev): -13.0777 -13.0777 -6.6491 -6.6491 -6.2940 -6.2940 -1.8901 -1.8901 -0.5591 -0.5591 -0.4765 -0.4765 0.6007 0.6007 1.1334 1.1334 1.3238 1.3238 1.8210 1.8210 2.0953 2.0953 2.1954 2.1954 2.6484 2.6484 2.8128 2.8128 3.2554 3.2554 3.4639 3.4639 3.6135 3.6135 4.0005 4.0005 4.0993 4.0993 4.2710 4.2710 4.4262 4.4262 4.5795 4.5795 5.0025 5.0025 5.3501 5.3501 5.5858 5.5858 5.8450 5.8450 6.0475 6.0475 9.3403 9.3403 9.5818 9.5818 9.9148 9.9148 11.0142 11.0142 11.1584 11.1584 k = 0.2549 0.4415-0.0000 ( 13747 PWs) bands (ev): -13.0778 -13.0778 -6.6737 -6.6737 -6.2655 -6.2655 -1.8909 -1.8909 -0.5635 -0.5635 -0.4773 -0.4773 0.5920 0.5920 1.1073 1.1073 1.3158 1.3158 1.8239 1.8239 2.1147 2.1147 2.2336 2.2336 2.6314 2.6314 2.8143 2.8143 3.2504 3.2504 3.4631 3.4631 3.6288 3.6288 3.9933 3.9933 4.0834 4.0834 4.2534 4.2534 4.4406 4.4406 4.5883 4.5883 5.0130 5.0130 5.3856 5.3856 5.5622 5.5622 5.8473 5.8473 6.0527 6.0527 9.3375 9.3375 9.5704 9.5704 9.9456 9.9456 11.0110 11.0110 11.1407 11.1407 k = 0.2451 0.4245-0.0000 ( 13757 PWs) bands (ev): -13.0779 -13.0779 -6.6979 -6.6979 -6.2367 -6.2367 -1.8918 -1.8918 -0.5678 -0.5678 -0.4779 -0.4779 0.5814 0.5814 1.0767 1.0767 1.3058 1.3058 1.8313 1.8313 2.1342 2.1342 2.2751 2.2751 2.6152 2.6152 2.8154 2.8154 3.2461 3.2461 3.4587 3.4587 3.6462 3.6462 3.9833 3.9833 4.0721 4.0721 4.2367 4.2367 4.4550 4.4550 4.5999 4.5999 5.0235 5.0235 5.4164 5.4164 5.5395 5.5395 5.8486 5.8486 6.0601 6.0601 9.3360 9.3360 9.5584 9.5584 9.9782 9.9782 11.0100 11.0100 11.1260 11.1260 k = 0.2353 0.4075-0.0000 ( 13751 PWs) bands (ev): -13.0781 -13.0781 -6.7218 -6.7218 -6.2077 -6.2077 -1.8925 -1.8925 -0.5718 -0.5718 -0.4783 -0.4783 0.5691 0.5691 1.0427 1.0427 1.2924 1.2924 1.8439 1.8439 2.1535 2.1535 2.3185 2.3185 2.6008 2.6008 2.8162 2.8162 3.2425 3.2425 3.4513 3.4513 3.6646 3.6646 3.9716 3.9716 4.0656 4.0656 4.2213 4.2213 4.4691 4.4691 4.6138 4.6138 5.0328 5.0328 5.4388 5.4388 5.5208 5.5208 5.8494 5.8494 6.0704 6.0704 9.3358 9.3358 9.5455 9.5455 10.0120 10.0120 11.0113 11.0113 11.1127 11.1127 k = 0.2255 0.3906-0.0000 ( 13747 PWs) bands (ev): -13.0782 -13.0782 -6.7453 -6.7453 -6.1787 -6.1787 -1.8932 -1.8932 -0.5755 -0.5755 -0.4785 -0.4785 0.5553 0.5553 1.0060 1.0060 1.2749 1.2749 1.8615 1.8615 2.1723 2.1723 2.3616 2.3616 2.5898 2.5898 2.8169 2.8169 3.2398 3.2398 3.4419 3.4419 3.6831 3.6831 3.9604 3.9604 4.0627 4.0627 4.2074 4.2074 4.4824 4.4824 4.6299 4.6299 5.0404 5.0404 5.4457 5.4457 5.5128 5.5128 5.8503 5.8503 6.0842 6.0842 9.3369 9.3369 9.5319 9.5319 10.0462 10.0462 11.0148 11.0148 11.0986 11.0986 k = 0.2157 0.3736-0.0000 ( 13761 PWs) bands (ev): -13.0784 -13.0784 -6.7683 -6.7683 -6.1497 -6.1497 -1.8937 -1.8937 -0.5785 -0.5785 -0.4783 -0.4783 0.5402 0.5402 0.9673 0.9673 1.2533 1.2533 1.8838 1.8838 2.1906 2.1906 2.4005 2.4005 2.5853 2.5853 2.8180 2.8180 3.2378 3.2378 3.4315 3.4315 3.7006 3.7006 3.9513 3.9513 4.0621 4.0621 4.1952 4.1952 4.4949 4.4949 4.6477 4.6477 5.0454 5.0454 5.4346 5.4346 5.5173 5.5173 5.8521 5.8521 6.1017 6.1017 9.3388 9.3388 9.5184 9.5184 10.0798 10.0798 11.0202 11.0202 11.0815 11.0815 k = 0.2059 0.3566-0.0000 ( 13755 PWs) bands (ev): -13.0786 -13.0786 -6.7907 -6.7907 -6.1209 -6.1209 -1.8940 -1.8940 -0.5810 -0.5810 -0.4777 -0.4777 0.5238 0.5238 0.9272 0.9272 1.2278 1.2278 1.9096 1.9096 2.2081 2.2081 2.4291 2.4291 2.5924 2.5924 2.8202 2.8202 3.2364 3.2364 3.4214 3.4214 3.7167 3.7167 3.9454 3.9454 4.0628 4.0628 4.1850 4.1850 4.5064 4.5064 4.6665 4.6665 5.0472 5.0472 5.4152 5.4152 5.5246 5.5246 5.8557 5.8557 6.1229 6.1229 9.3403 9.3403 9.5063 9.5063 10.1117 10.1117 11.0248 11.0248 11.0612 11.0612 k = 0.1961 0.3396-0.0000 ( 13765 PWs) bands (ev): -13.0788 -13.0788 -6.8125 -6.8125 -6.0924 -6.0924 -1.8942 -1.8942 -0.5826 -0.5826 -0.4768 -0.4768 0.5065 0.5065 0.8861 0.8861 1.1990 1.1990 1.9380 1.9380 2.2248 2.2248 2.4428 2.4428 2.6140 2.6140 2.8247 2.8247 3.2357 3.2357 3.4129 3.4129 3.7310 3.7310 3.9428 3.9428 4.0640 4.0640 4.1771 4.1771 4.5168 4.5168 4.6857 4.6857 5.0455 5.0455 5.3936 5.3936 5.5286 5.5286 5.8622 5.8622 6.1475 6.1475 9.3392 9.3392 9.4980 9.4980 10.1407 10.1407 11.0107 11.0107 11.0538 11.0538 k = 0.1863 0.3226-0.0000 ( 13755 PWs) bands (ev): -13.0790 -13.0790 -6.8337 -6.8337 -6.0642 -6.0642 -1.8941 -1.8941 -0.5834 -0.5834 -0.4755 -0.4755 0.4883 0.4883 0.8445 0.8445 1.1674 1.1674 1.9676 1.9676 2.2406 2.2406 2.4438 2.4438 2.6451 2.6451 2.8338 2.8338 3.2357 3.2357 3.4071 3.4071 3.7436 3.7436 3.9431 3.9431 4.0652 4.0652 4.1718 4.1718 4.5262 4.5262 4.7042 4.7042 5.0400 5.0400 5.3717 5.3717 5.5275 5.5275 5.8727 5.8727 6.1750 6.1750 9.3328 9.3328 9.4964 9.4964 10.1660 10.1660 10.9719 10.9719 11.0651 11.0651 k = 0.1765 0.3057-0.0000 ( 13769 PWs) bands (ev): -13.0793 -13.0793 -6.8540 -6.8540 -6.0366 -6.0366 -1.8939 -1.8939 -0.5832 -0.5832 -0.4738 -0.4738 0.4694 0.4694 0.8027 0.8027 1.1338 1.1338 1.9975 1.9975 2.2552 2.2552 2.4381 2.4381 2.6759 2.6759 2.8513 2.8513 3.2366 3.2366 3.4050 3.4050 3.7551 3.7551 3.9457 3.9457 4.0660 4.0660 4.1695 4.1695 4.5346 4.5346 4.7210 4.7210 5.0309 5.0309 5.3504 5.3504 5.5210 5.5210 5.8881 5.8881 6.2045 6.2045 9.3191 9.3191 9.5039 9.5039 10.1865 10.1865 10.9223 10.9223 11.0824 11.0824 k = 0.1667 0.2887-0.0000 ( 13781 PWs) bands (ev): -13.0795 -13.0795 -6.8736 -6.8736 -6.0096 -6.0096 -1.8933 -1.8933 -0.5821 -0.5821 -0.4716 -0.4716 0.4498 0.4498 0.7610 0.7610 1.0987 1.0987 2.0264 2.0264 2.2684 2.2684 2.4295 2.4295 2.6988 2.6988 2.8802 2.8802 3.2390 3.2390 3.4072 3.4072 3.7659 3.7659 3.9498 3.9498 4.0660 4.0660 4.1702 4.1702 4.5420 4.5420 4.7348 4.7348 5.0184 5.0184 5.3303 5.3303 5.5094 5.5094 5.9089 5.9089 6.2354 6.2354 9.2982 9.2982 9.5205 9.5205 10.2018 10.2018 10.8669 10.8669 11.1026 11.1026 k = 0.1569 0.2717-0.0000 ( 13785 PWs) bands (ev): -13.0797 -13.0797 -6.8923 -6.8923 -5.9834 -5.9834 -1.8926 -1.8926 -0.5800 -0.5800 -0.4690 -0.4690 0.4297 0.4297 0.7199 0.7199 1.0627 1.0627 2.0536 2.0536 2.2799 2.2799 2.4203 2.4203 2.7115 2.7115 2.9201 2.9201 3.2439 3.2439 3.4138 3.4138 3.7766 3.7766 3.9547 3.9547 4.0656 4.0656 4.1736 4.1736 4.5483 4.5483 4.7443 4.7443 5.0033 5.0033 5.3118 5.3118 5.4931 5.4931 5.9354 5.9354 6.2670 6.2670 9.2713 9.2713 9.5450 9.5450 10.2115 10.2115 10.8085 10.8085 11.1247 11.1247 k = 0.1471 0.2547-0.0000 ( 13787 PWs) bands (ev): -13.0800 -13.0800 -6.9101 -6.9101 -5.9580 -5.9580 -1.8916 -1.8916 -0.5770 -0.5770 -0.4659 -0.4659 0.4092 0.4092 0.6795 0.6795 1.0265 1.0265 2.0784 2.0784 2.2892 2.2892 2.4115 2.4115 2.7165 2.7165 2.9667 2.9667 3.2525 3.2525 3.4248 3.4248 3.7879 3.7879 3.9599 3.9599 4.0650 4.0650 4.1791 4.1791 4.5536 4.5536 4.7481 4.7481 4.9860 4.9860 5.2954 5.2954 5.4729 5.4729 5.9674 5.9674 6.2985 6.2985 9.2400 9.2400 9.5761 9.5761 10.2157 10.2157 10.7492 10.7492 11.1473 11.1473 k = 0.1373 0.2377-0.0000 ( 13789 PWs) bands (ev): -13.0802 -13.0802 -6.9270 -6.9270 -5.9336 -5.9336 -1.8904 -1.8904 -0.5730 -0.5730 -0.4624 -0.4624 0.3883 0.3883 0.6402 0.6402 0.9905 0.9905 2.1004 2.1004 2.2959 2.2959 2.4042 2.4042 2.7167 2.7167 3.0153 3.0153 3.2659 3.2659 3.4400 3.4400 3.8001 3.8001 3.9650 3.9650 4.0648 4.0648 4.1862 4.1862 4.5577 4.5577 4.7454 4.7454 4.9669 4.9669 5.2817 5.2817 5.4494 5.4494 6.0046 6.0046 6.3294 6.3294 9.2052 9.2052 9.6127 9.6127 10.2148 10.2148 10.6907 10.6907 11.1693 11.1693 k = 0.1275 0.2208-0.0000 ( 13793 PWs) bands (ev): -13.0805 -13.0805 -6.9428 -6.9428 -5.9103 -5.9103 -1.8890 -1.8890 -0.5681 -0.5681 -0.4584 -0.4584 0.3670 0.3670 0.6022 0.6022 0.9551 0.9551 2.1192 2.1192 2.2997 2.2997 2.3987 2.3987 2.7141 2.7141 3.0620 3.0620 3.2853 3.2853 3.4595 3.4595 3.8137 3.8137 3.9699 3.9699 4.0655 4.0655 4.1942 4.1942 4.5602 4.5602 4.7358 4.7358 4.9461 4.9461 5.2711 5.2711 5.4234 5.4234 6.0465 6.0465 6.3594 6.3594 9.1677 9.1677 9.6539 9.6539 10.2094 10.2094 10.6341 10.6341 11.1894 11.1894 k = 0.1176 0.2038-0.0000 ( 13795 PWs) bands (ev): -13.0807 -13.0807 -6.9577 -6.9577 -5.8882 -5.8882 -1.8874 -1.8874 -0.5624 -0.5624 -0.4540 -0.4540 0.3456 0.3456 0.5659 0.5659 0.9208 0.9208 2.1349 2.1349 2.3006 2.3006 2.3952 2.3952 2.7100 2.7100 3.1040 3.1040 3.3114 3.3114 3.4832 3.4832 3.8287 3.8287 3.9745 3.9745 4.0677 4.0677 4.2023 4.2023 4.5609 4.5609 4.7198 4.7198 4.9235 4.9235 5.2637 5.2637 5.3957 5.3957 6.0922 6.0922 6.3879 6.3879 9.1282 9.1282 9.6990 9.6990 10.2003 10.2003 10.5805 10.5805 11.2066 11.2066 k = 0.1078 0.1868-0.0000 ( 13803 PWs) bands (ev): -13.0809 -13.0809 -6.9715 -6.9715 -5.8674 -5.8674 -1.8857 -1.8857 -0.5560 -0.5560 -0.4492 -0.4492 0.3240 0.3240 0.5315 0.5315 0.8880 0.8880 2.1475 2.1475 2.2990 2.2990 2.3935 2.3935 2.7050 2.7050 3.1395 3.1395 3.3438 3.3438 3.5114 3.5114 3.8454 3.8454 3.9791 3.9791 4.0718 4.0718 4.2103 4.2103 4.5590 4.5590 4.6986 4.6986 4.8988 4.8988 5.2587 5.2587 5.3676 5.3676 6.1409 6.1409 6.4149 6.4149 9.0871 9.0871 9.7470 9.7470 10.1882 10.1882 10.5305 10.5305 11.2203 11.2203 k = 0.0980 0.1698-0.0000 ( 13803 PWs) bands (ev): -13.0811 -13.0811 -6.9842 -6.9842 -5.8481 -5.8481 -1.8840 -1.8840 -0.5491 -0.5491 -0.4440 -0.4440 0.3024 0.3024 0.4991 0.4991 0.8571 0.8571 2.1573 2.1573 2.2957 2.2957 2.3928 2.3928 2.6997 2.6997 3.1686 3.1686 3.3804 3.3804 3.5444 3.5444 3.8634 3.8634 3.9840 3.9840 4.0780 4.0780 4.2176 4.2176 4.5534 4.5534 4.6741 4.6741 4.8724 4.8724 5.2543 5.2543 5.3410 5.3410 6.1917 6.1917 6.4401 6.4401 9.0451 9.0451 9.7971 9.7971 10.1741 10.1741 10.4849 10.4849 11.2305 11.2305 k = 0.0882 0.1528-0.0000 ( 13779 PWs) bands (ev): -13.0813 -13.0813 -6.9957 -6.9957 -5.8303 -5.8303 -1.8821 -1.8821 -0.5418 -0.5418 -0.4386 -0.4386 0.2812 0.2812 0.4691 0.4691 0.8283 0.8283 2.1644 2.1644 2.2916 2.2916 2.3928 2.3928 2.6943 2.6943 3.1922 3.1922 3.4183 3.4183 3.5822 3.5822 3.8824 3.8824 3.9896 3.9896 4.0865 4.0865 4.2241 4.2241 4.5421 4.5421 4.6488 4.6488 4.8449 4.8449 5.2463 5.2463 5.3197 5.3197 6.2433 6.2433 6.4634 6.4634 9.0028 9.0028 9.8480 9.8480 10.1588 10.1588 10.4442 10.4442 11.2371 11.2371 k = 0.0784 0.1358-0.0000 ( 13779 PWs) bands (ev): -13.0815 -13.0815 -7.0062 -7.0062 -5.8140 -5.8140 -1.8803 -1.8803 -0.5343 -0.5343 -0.4330 -0.4330 0.2605 0.2605 0.4416 0.4416 0.8019 0.8019 2.1692 2.1692 2.2872 2.2872 2.3930 2.3930 2.6891 2.6891 3.2112 3.2112 3.4547 3.4547 3.6248 3.6248 3.9017 3.9017 3.9968 3.9968 4.0975 4.0975 4.2294 4.2294 4.5230 4.5230 4.6254 4.6254 4.8172 4.8172 5.2303 5.2303 5.3080 5.3080 6.2945 6.2945 6.4848 6.4848 8.9608 8.9608 9.8982 9.8982 10.1433 10.1433 10.4092 10.4092 11.2408 11.2408 k = 0.0686 0.1189-0.0000 ( 13765 PWs) bands (ev): -13.0817 -13.0817 -7.0154 -7.0154 -5.7995 -5.7995 -1.8786 -1.8786 -0.5269 -0.5269 -0.4274 -0.4274 0.2407 0.2407 0.4167 0.4167 0.7783 0.7783 2.1721 2.1721 2.2830 2.2830 2.3932 2.3932 2.6844 2.6844 3.2268 3.2268 3.4877 3.4877 3.6713 3.6713 3.9201 3.9201 4.0066 4.0066 4.1106 4.1106 4.2335 4.2335 4.4950 4.4950 4.6049 4.6049 4.7907 4.7907 5.2068 5.2068 5.3053 5.3053 6.3438 6.3438 6.5045 6.5045 8.9201 8.9201 9.9457 9.9457 10.1283 10.1283 10.3810 10.3810 11.2419 11.2419 k = 0.0588 0.1019-0.0000 ( 13747 PWs) bands (ev): -13.0818 -13.0818 -7.0235 -7.0235 -5.7868 -5.7868 -1.8769 -1.8769 -0.5197 -0.5197 -0.4219 -0.4219 0.2222 0.2222 0.3947 0.3947 0.7575 0.7575 2.1735 2.1735 2.2793 2.2793 2.3933 2.3933 2.6801 2.6801 3.2394 3.2394 3.5164 3.5164 3.7203 3.7203 3.9365 3.9365 4.0202 4.0202 4.1252 4.1252 4.2364 4.2364 4.4597 4.4597 4.5863 4.5863 4.7669 4.7669 5.1805 5.1805 5.3072 5.3072 6.3896 6.3896 6.5227 6.5227 8.8814 8.8814 9.9881 9.9881 10.1146 10.1146 10.3605 10.3605 11.2411 11.2411 k = 0.0490 0.0849-0.0000 ( 13737 PWs) bands (ev): -13.0820 -13.0820 -7.0303 -7.0303 -5.7759 -5.7759 -1.8754 -1.8754 -0.5131 -0.5131 -0.4167 -0.4167 0.2055 0.2055 0.3756 0.3756 0.7397 0.7397 2.1737 2.1737 2.2762 2.2762 2.3933 2.3933 2.6763 2.6763 3.2495 3.2495 3.5406 3.5406 3.7695 3.7695 3.9509 3.9509 4.0378 4.0378 4.1400 4.1400 4.2382 4.2382 4.4196 4.4196 4.5680 4.5680 4.7466 4.7466 5.1544 5.1544 5.3108 5.3108 6.4301 6.4301 6.5397 6.5397 8.8459 8.8459 10.0223 10.0223 10.1031 10.1031 10.3490 10.3490 11.2389 11.2389 k = 0.0392 0.0679-0.0000 ( 13741 PWs) bands (ev): -13.0821 -13.0821 -7.0359 -7.0359 -5.7669 -5.7669 -1.8741 -1.8741 -0.5073 -0.5073 -0.4120 -0.4120 0.1910 0.1910 0.3597 0.3597 0.7251 0.7251 2.1733 2.1733 2.2738 2.2738 2.3933 2.3933 2.6732 2.6732 3.2574 3.2574 3.5601 3.5601 3.8162 3.8162 3.9648 3.9648 4.0586 4.0586 4.1529 4.1529 4.2391 4.2391 4.3778 4.3778 4.5492 4.5492 4.7305 4.7305 5.1306 5.1306 5.3148 5.3148 6.4635 6.4635 6.5559 6.5559 8.8148 8.8148 10.0457 10.0457 10.0951 10.0951 10.3466 10.3466 11.2357 11.2357 k = 0.0294 0.0509-0.0000 ( 13739 PWs) bands (ev): -13.0822 -13.0822 -7.0403 -7.0403 -5.7598 -5.7598 -1.8731 -1.8731 -0.5025 -0.5025 -0.4080 -0.4080 0.1792 0.1792 0.3472 0.3472 0.7136 0.7136 2.1725 2.1725 2.2719 2.2719 2.3932 2.3932 2.6707 2.6707 3.2633 3.2633 3.5750 3.5750 3.8560 3.8560 3.9814 3.9814 4.0814 4.0814 4.1613 4.1613 4.2372 4.2372 4.3390 4.3390 4.5305 4.5305 4.7185 4.7185 5.1105 5.1105 5.3184 5.3184 6.4884 6.4884 6.5712 6.5712 8.7890 8.7890 10.0568 10.0568 10.0921 10.0921 10.3515 10.3515 11.2317 11.2317 k = 0.0196 0.0340-0.0000 ( 13719 PWs) bands (ev): -13.0822 -13.0822 -7.0435 -7.0435 -5.7547 -5.7547 -1.8723 -1.8723 -0.4990 -0.4990 -0.4049 -0.4049 0.1705 0.1705 0.3381 0.3381 0.7054 0.7054 2.1718 2.1718 2.2706 2.2706 2.3931 2.3931 2.6690 2.6690 3.2674 3.2674 3.5856 3.5856 3.8841 3.8841 4.0029 4.0029 4.1055 4.1055 4.1639 4.1639 4.2252 4.2252 4.3121 4.3121 4.5140 4.5140 4.7103 4.7103 5.0953 5.0953 5.3212 5.3212 6.5050 6.5050 6.5844 6.5844 8.7697 8.7697 10.0589 10.0589 10.0928 10.0928 10.3599 10.3599 11.2273 11.2273 k = 0.0098 0.0170-0.0000 ( 13709 PWs) bands (ev): -13.0823 -13.0823 -7.0453 -7.0453 -5.7517 -5.7517 -1.8718 -1.8718 -0.4967 -0.4967 -0.4030 -0.4030 0.1651 0.1651 0.3325 0.3325 0.7005 0.7005 2.1712 2.1712 2.2698 2.2698 2.3930 2.3930 2.6679 2.6679 3.2698 3.2698 3.5918 3.5918 3.8992 3.8992 4.0247 4.0247 4.1315 4.1315 4.1623 4.1623 4.1978 4.1978 4.3027 4.3027 4.5023 4.5023 4.7056 4.7056 5.0858 5.0858 5.3229 5.3229 6.5142 6.5142 6.5935 6.5935 8.7578 8.7578 10.0581 10.0581 10.0939 10.0939 10.3671 10.3671 11.2235 11.2235 k = 0.0000 0.0000 0.0000 ( 13719 PWs) bands (ev): -13.0823 -13.0823 -7.0460 -7.0460 -5.7507 -5.7507 -1.8717 -1.8717 -0.4960 -0.4960 -0.4024 -0.4024 0.1633 0.1633 0.3307 0.3307 0.6989 0.6989 2.1711 2.1711 2.2696 2.2696 2.3930 2.3930 2.6675 2.6675 3.2706 3.2706 3.5939 3.5939 3.9037 3.9037 4.0345 4.0345 4.1569 4.1569 4.1586 4.1586 4.1715 4.1715 4.3016 4.3016 4.4980 4.4980 4.7041 4.7041 5.0826 5.0826 5.3235 5.3235 6.5171 6.5171 6.5968 6.5968 8.7537 8.7537 10.0576 10.0576 10.0942 10.0942 10.3700 10.3700 11.2219 11.2219 k = 0.0000 0.0000 0.0000 ( 13719 PWs) bands (ev): -13.0823 -13.0823 -7.0460 -7.0460 -5.7507 -5.7507 -1.8717 -1.8717 -0.4960 -0.4960 -0.4024 -0.4024 0.1633 0.1633 0.3307 0.3307 0.6989 0.6989 2.1711 2.1711 2.2696 2.2696 2.3930 2.3930 2.6675 2.6675 3.2706 3.2706 3.5939 3.5939 3.9037 3.9037 4.0345 4.0345 4.1569 4.1569 4.1586 4.1586 4.1715 4.1715 4.3016 4.3016 4.4980 4.4980 4.7041 4.7041 5.0826 5.0826 5.3235 5.3235 6.5171 6.5171 6.5968 6.5968 8.7537 8.7537 10.0576 10.0576 10.0942 10.0942 10.3700 10.3700 11.2219 11.2219 k = 0.0000 0.0000 0.0197 ( 13725 PWs) bands (ev): -13.0822 -13.0822 -7.0457 -7.0457 -5.7509 -5.7509 -1.8719 -1.8719 -0.4964 -0.4964 -0.4031 -0.4031 0.1641 0.1641 0.3312 0.3312 0.6993 0.6993 2.1716 2.1716 2.2697 2.2697 2.3931 2.3931 2.6680 2.6680 3.2709 3.2709 3.5938 3.5938 3.9028 3.9028 4.0328 4.0328 4.1569 4.1569 4.1576 4.1576 4.1716 4.1716 4.3014 4.3014 4.4982 4.4982 4.7042 4.7042 5.0817 5.0817 5.3236 5.3236 6.5182 6.5182 6.5976 6.5976 8.7538 8.7538 10.0627 10.0627 10.0886 10.0886 10.3659 10.3659 11.2197 11.2197 k = 0.0000 0.0000 0.0393 ( 13713 PWs) bands (ev): -13.0822 -13.0822 -7.0451 -7.0451 -5.7517 -5.7517 -1.8724 -1.8724 -0.4974 -0.4974 -0.4054 -0.4054 0.1664 0.1664 0.3329 0.3329 0.7004 0.7004 2.1731 2.1731 2.2701 2.2701 2.3934 2.3934 2.6693 2.6693 3.2718 3.2718 3.5933 3.5933 3.9002 3.9002 4.0277 4.0277 4.1518 4.1518 4.1593 4.1593 4.1718 4.1718 4.3010 4.3010 4.4989 4.4989 4.7047 4.7047 5.0791 5.0791 5.3237 5.3237 6.5215 6.5215 6.6000 6.6000 8.7543 8.7543 10.0720 10.0720 10.0771 10.0771 10.3545 10.3545 11.2131 11.2131 k = 0.0000 0.0000 0.0590 ( 13713 PWs) bands (ev): -13.0820 -13.0820 -7.0439 -7.0439 -5.7530 -5.7530 -1.8732 -1.8732 -0.4992 -0.4992 -0.4091 -0.4091 0.1703 0.1703 0.3357 0.3357 0.7023 0.7023 2.1756 2.1756 2.2709 2.2709 2.3939 2.3939 2.6714 2.6714 3.2734 3.2734 3.5925 3.5925 3.8961 3.8961 4.0196 4.0196 4.1437 4.1437 4.1619 4.1619 4.1719 4.1719 4.3003 4.3003 4.4998 4.4998 4.7055 4.7055 5.0747 5.0747 5.3238 5.3238 6.5269 6.5269 6.6041 6.6041 8.7556 8.7556 10.0450 10.0450 10.0979 10.0979 10.3386 10.3386 11.2024 11.2024 k = 0.0000 0.0000 0.0786 ( 13731 PWs) bands (ev): -13.0819 -13.0819 -7.0423 -7.0423 -5.7548 -5.7548 -1.8744 -1.8744 -0.5016 -0.5016 -0.4143 -0.4143 0.1756 0.1756 0.3396 0.3396 0.7049 0.7049 2.1791 2.1791 2.2719 2.2719 2.3947 2.3947 2.6743 2.6743 3.2757 3.2757 3.5913 3.5913 3.8906 3.8906 4.0089 4.0089 4.1327 4.1327 4.1651 4.1651 4.1719 4.1719 4.2993 4.2993 4.5008 4.5008 4.7065 4.7065 5.0684 5.0684 5.3241 5.3241 6.5344 6.5344 6.6097 6.6097 8.7584 8.7584 10.0084 10.0084 10.1182 10.1182 10.3254 10.3254 11.1879 11.1879 k = 0.0000 0.0000 0.0983 ( 13767 PWs) bands (ev): -13.0816 -13.0816 -7.0403 -7.0403 -5.7571 -5.7571 -1.8759 -1.8759 -0.5045 -0.5045 -0.4208 -0.4208 0.1824 0.1824 0.3444 0.3444 0.7081 0.7081 2.1835 2.1835 2.2735 2.2735 2.3956 2.3956 2.6780 2.6780 3.2785 3.2785 3.5897 3.5897 3.8840 3.8840 3.9959 3.9959 4.1189 4.1189 4.1684 4.1684 4.1718 4.1718 4.2982 4.2982 4.5018 4.5018 4.7077 4.7077 5.0601 5.0601 5.3244 5.3244 6.5439 6.5439 6.6168 6.6168 8.7634 8.7634 9.9633 9.9633 10.1247 10.1247 10.3284 10.3284 11.1699 11.1699 k = 0.0000 0.0000 0.1180 ( 13767 PWs) bands (ev): -13.0814 -13.0814 -7.0379 -7.0379 -5.7599 -5.7599 -1.8777 -1.8777 -0.5081 -0.5081 -0.4285 -0.4285 0.1905 0.1905 0.3502 0.3502 0.7120 0.7120 2.1886 2.1886 2.2756 2.2756 2.3967 2.3967 2.6824 2.6824 3.2819 3.2819 3.5876 3.5876 3.8766 3.8766 3.9811 3.9811 4.1025 4.1025 4.1716 4.1716 4.1718 4.1718 4.2969 4.2969 4.5026 4.5026 4.7092 4.7092 5.0498 5.0498 5.3248 5.3248 6.5553 6.5553 6.6254 6.6254 8.7716 8.7716 9.9109 9.9109 10.1064 10.1064 10.3586 10.3586 11.1489 11.1489 k = 0.0000 0.0000 0.1376 ( 13779 PWs) bands (ev): -13.0811 -13.0811 -7.0351 -7.0351 -5.7631 -5.7631 -1.8798 -1.8798 -0.5121 -0.5121 -0.4373 -0.4373 0.1997 0.1997 0.3568 0.3568 0.7164 0.7164 2.1944 2.1944 2.2786 2.2786 2.3980 2.3980 2.6874 2.6874 3.2858 3.2858 3.5850 3.5850 3.8687 3.8687 3.9646 3.9646 4.0837 4.0837 4.1714 4.1714 4.1749 4.1749 4.2955 4.2955 4.5028 4.5028 4.7108 4.7108 5.0373 5.0373 5.3254 5.3254 6.5685 6.5685 6.6355 6.6355 8.7836 8.7836 9.8524 9.8524 10.0675 10.0675 10.4121 10.4121 11.1255 11.1255 k = 0.0000 0.0000 0.1573 ( 13791 PWs) bands (ev): -13.0807 -13.0807 -7.0319 -7.0319 -5.7667 -5.7667 -1.8822 -1.8822 -0.5165 -0.5165 -0.4470 -0.4470 0.2101 0.2101 0.3642 0.3642 0.7214 0.7214 2.2005 2.2005 2.2826 2.2826 2.3995 2.3995 2.6930 2.6930 3.2903 3.2903 3.5818 3.5818 3.8606 3.8606 3.9468 3.9468 4.0628 4.0628 4.1711 4.1711 4.1778 4.1778 4.2940 4.2940 4.5022 4.5022 4.7126 4.7126 5.0228 5.0228 5.3260 5.3260 6.5833 6.5833 6.6468 6.6468 8.8000 8.8000 9.7890 9.7890 10.0165 10.0165 10.4804 10.4804 11.1002 11.1002 k = 0.0000 0.0000 0.1769 ( 13785 PWs) bands (ev): -13.0803 -13.0803 -7.0283 -7.0283 -5.7707 -5.7707 -1.8848 -1.8848 -0.5212 -0.5212 -0.4576 -0.4576 0.2215 0.2215 0.3722 0.3722 0.7268 0.7268 2.2067 2.2067 2.2881 2.2881 2.4012 2.4012 2.6991 2.6991 3.2953 3.2953 3.5779 3.5779 3.8526 3.8526 3.9278 3.9278 4.0399 4.0399 4.1707 4.1707 4.1804 4.1804 4.2923 4.2923 4.5005 4.5005 4.7144 4.7144 5.0065 5.0065 5.3267 5.3267 6.5997 6.5997 6.6595 6.6595 8.8212 8.8212 9.7218 9.7218 9.9587 9.9587 10.5583 10.5583 11.0735 11.0735 k = 0.0000 0.0000 0.1966 ( 13785 PWs) bands (ev): -13.0799 -13.0799 -7.0245 -7.0245 -5.7750 -5.7750 -1.8877 -1.8877 -0.5262 -0.5262 -0.4689 -0.4689 0.2337 0.2337 0.3807 0.3807 0.7325 0.7325 2.2126 2.2126 2.2953 2.2953 2.4031 2.4031 2.7056 2.7056 3.3006 3.3006 3.5735 3.5735 3.8448 3.8448 3.9078 3.9078 4.0154 4.0154 4.1704 4.1704 4.1827 4.1827 4.2904 4.2904 4.4975 4.4975 4.7162 4.7162 4.9885 4.9885 5.3274 5.3274 6.6174 6.6174 6.6733 6.6733 8.8475 8.8475 9.6518 9.6518 9.8972 9.8972 10.6429 10.6429 11.0459 11.0459 k = 0.0000 0.0000 0.2163 ( 13785 PWs) bands (ev): -13.0795 -13.0795 -7.0203 -7.0203 -5.7797 -5.7797 -1.8908 -1.8908 -0.5314 -0.5314 -0.4807 -0.4807 0.2466 0.2466 0.3898 0.3898 0.7385 0.7385 2.2180 2.2180 2.3047 2.3047 2.4052 2.4052 2.7124 2.7124 3.3064 3.3064 3.5685 3.5685 3.8375 3.8375 3.8869 3.8869 3.9893 3.9893 4.1699 4.1699 4.1846 4.1846 4.2885 4.2885 4.4930 4.4930 4.7180 4.7180 4.9692 4.9692 5.3283 5.3283 6.6362 6.6362 6.6882 6.6882 8.8787 8.8787 9.5800 9.5800 9.8340 9.8340 10.7323 10.7323 11.0181 11.0181 k = 0.0000 0.0000 0.2359 ( 13791 PWs) bands (ev): -13.0790 -13.0790 -7.0160 -7.0160 -5.7846 -5.7846 -1.8940 -1.8940 -0.5367 -0.5367 -0.4929 -0.4929 0.2601 0.2601 0.3991 0.3991 0.7447 0.7447 2.2225 2.2225 2.3165 2.3165 2.4074 2.4074 2.7195 2.7195 3.3125 3.3125 3.5631 3.5631 3.8307 3.8307 3.8654 3.8654 3.9621 3.9621 4.1695 4.1695 4.1862 4.1862 4.2863 4.2863 4.4866 4.4866 4.7198 4.7198 4.9490 4.9490 5.3292 5.3292 6.6561 6.6561 6.7040 6.7040 8.9144 8.9144 9.5072 9.5072 9.7708 9.7708 10.8249 10.8249 10.9904 10.9904 k = 0.0000 0.0000 0.2556 ( 13773 PWs) bands (ev): -13.0785 -13.0785 -7.0114 -7.0114 -5.7898 -5.7898 -1.8973 -1.8973 -0.5420 -0.5420 -0.5054 -0.5054 0.2740 0.2740 0.4086 0.4086 0.7511 0.7511 2.2263 2.2263 2.3307 2.3307 2.4098 2.4098 2.7267 2.7267 3.3189 3.3189 3.5572 3.5572 3.8242 3.8242 3.8434 3.8434 3.9337 3.9337 4.1690 4.1690 4.1875 4.1875 4.2839 4.2839 4.4783 4.4783 4.7216 4.7216 4.9285 4.9285 5.3301 5.3301 6.6767 6.6767 6.7206 6.7206 8.9541 8.9541 9.4341 9.4341 9.7090 9.7090 10.9184 10.9184 10.9645 10.9645 k = 0.0000 0.0000 0.2752 ( 13773 PWs) bands (ev): -13.0780 -13.0780 -7.0066 -7.0066 -5.7951 -5.7951 -1.9008 -1.9008 -0.5474 -0.5474 -0.5179 -0.5179 0.2882 0.2882 0.4183 0.4183 0.7575 0.7575 2.2292 2.2292 2.3475 2.3475 2.4123 2.4123 2.7340 2.7340 3.3256 3.3256 3.5511 3.5511 3.8180 3.8180 3.8211 3.8211 3.9047 3.9047 4.1684 4.1684 4.1886 4.1886 4.2812 4.2812 4.4679 4.4679 4.7233 4.7233 4.9081 4.9081 5.3311 5.3311 6.6980 6.6980 6.7379 6.7379 8.9963 8.9963 9.3613 9.3613 9.6506 9.6506 10.9348 10.9348 10.9712 10.9712 k = 0.0000 0.0000 0.2949 ( 13797 PWs) bands (ev): -13.0775 -13.0775 -7.0018 -7.0018 -5.8005 -5.8005 -1.9044 -1.9044 -0.5527 -0.5527 -0.5305 -0.5305 0.3026 0.3026 0.4279 0.4279 0.7640 0.7640 2.2316 2.2316 2.3665 2.3665 2.4150 2.4150 2.7413 2.7413 3.3324 3.3324 3.5449 3.5449 3.7986 3.7986 3.8117 3.8117 3.8752 3.8752 4.1678 4.1678 4.1894 4.1894 4.2783 4.2783 4.4554 4.4554 4.7249 4.7249 4.8885 4.8885 5.3322 5.3322 6.7197 6.7197 6.7558 6.7558 9.0389 9.0389 9.2896 9.2896 9.5978 9.5978 10.9100 10.9100 10.9469 10.9469 k = 0.0000 0.0000 0.3146 ( 13779 PWs) bands (ev): -13.0770 -13.0770 -6.9969 -6.9969 -5.8060 -5.8060 -1.9079 -1.9079 -0.5578 -0.5578 -0.5428 -0.5428 0.3171 0.3171 0.4374 0.4374 0.7704 0.7704 2.2333 2.2333 2.3878 2.3878 2.4177 2.4177 2.7485 2.7485 3.3394 3.3394 3.5387 3.5387 3.7760 3.7760 3.8045 3.8045 3.8463 3.8463 4.1670 4.1670 4.1900 4.1900 4.2750 4.2750 4.4410 4.4410 4.7264 4.7264 4.8700 4.8700 5.3332 5.3332 6.7417 6.7417 6.7740 6.7740 9.0784 9.0784 9.2193 9.2193 9.5543 9.5543 10.8860 10.8860 10.9238 10.9238 k = 0.0000 0.0000 0.3342 ( 13773 PWs) bands (ev): -13.0765 -13.0765 -6.9919 -6.9919 -5.8115 -5.8115 -1.9115 -1.9115 -0.5629 -0.5629 -0.5550 -0.5550 0.3314 0.3314 0.4467 0.4467 0.7767 0.7767 2.2347 2.2347 2.4110 2.4110 2.4205 2.4205 2.7556 2.7556 3.3465 3.3465 3.5325 3.5325 3.7536 3.7536 3.7935 3.7935 3.8206 3.8206 4.1662 4.1662 4.1905 4.1905 4.2711 4.2711 4.4251 4.4251 4.7278 4.7278 4.8531 4.8531 5.3342 5.3342 6.7636 6.7636 6.7925 6.7925 9.1093 9.1093 9.1511 9.1511 9.5256 9.5256 10.8635 10.8635 10.9022 10.9022 k = 0.0000 0.0000 0.3539 ( 13773 PWs) bands (ev): -13.0760 -13.0760 -6.9871 -6.9871 -5.8170 -5.8170 -1.9151 -1.9151 -0.5677 -0.5677 -0.5667 -0.5667 0.3454 0.3454 0.4557 0.4557 0.7828 0.7828 2.2358 2.2358 2.4234 2.4234 2.4361 2.4361 2.7624 2.7624 3.3536 3.3536 3.5264 3.5264 3.7315 3.7315 3.7726 3.7726 3.8046 3.8046 4.1652 4.1652 4.1908 4.1908 4.2667 4.2667 4.4082 4.4082 4.7291 4.7291 4.8379 4.8379 5.3353 5.3353 6.7854 6.7854 6.8111 6.8111 9.0853 9.0853 9.1251 9.1251 9.5178 9.5178 10.8426 10.8426 10.8821 10.8821 k = 0.0000 0.0000 0.3735 ( 13755 PWs) bands (ev): -13.0755 -13.0755 -6.9822 -6.9822 -5.8223 -5.8223 -1.9185 -1.9185 -0.5780 -0.5780 -0.5723 -0.5723 0.3591 0.3591 0.4642 0.4642 0.7888 0.7888 2.2366 2.2366 2.4263 2.4263 2.4628 2.4628 2.7691 2.7691 3.3606 3.3606 3.5202 3.5202 3.7099 3.7099 3.7450 3.7450 3.7949 3.7949 4.1640 4.1640 4.1909 4.1909 4.2615 4.2615 4.3912 4.3912 4.7304 4.7304 4.8244 4.8244 5.3363 5.3363 6.8068 6.8068 6.8295 6.8295 9.0223 9.0223 9.1221 9.1221 9.5344 9.5344 10.8234 10.8234 10.8637 10.8637 k = 0.0000 0.0000 0.3932 ( 13785 PWs) bands (ev): -13.0750 -13.0750 -6.9776 -6.9776 -5.8275 -5.8275 -1.9219 -1.9219 -0.5886 -0.5886 -0.5767 -0.5767 0.3723 0.3723 0.4722 0.4722 0.7945 0.7945 2.2372 2.2372 2.4292 2.4292 2.4909 2.4909 2.7756 2.7756 3.3676 3.3676 3.5135 3.5135 3.6888 3.6888 3.7164 3.7164 3.7864 3.7864 4.1625 4.1625 4.1910 4.1910 4.2554 4.2554 4.3747 4.3747 4.7315 4.7315 4.8128 4.8128 5.3373 5.3373 6.8277 6.8277 6.8477 6.8477 8.9627 8.9627 9.1032 9.1032 9.5719 9.5719 10.8060 10.8060 10.8471 10.8471 k = 0.0000 0.0000 0.4129 ( 13774 PWs) bands (ev): -13.0746 -13.0746 -6.9731 -6.9731 -5.8325 -5.8325 -1.9251 -1.9251 -0.5987 -0.5987 -0.5808 -0.5808 0.3848 0.3848 0.4797 0.4797 0.7999 0.7999 2.2377 2.2377 2.4321 2.4321 2.5201 2.5201 2.7819 2.7819 3.3744 3.3744 3.5060 3.5060 3.6686 3.6686 3.6889 3.6889 3.7775 3.7775 4.1608 4.1608 4.1910 4.1910 4.2483 4.2483 4.3598 4.3598 4.7325 4.7325 4.8029 4.8029 5.3382 5.3382 6.8477 6.8477 6.8653 6.8653 8.9066 8.9066 9.0745 9.0745 9.6236 9.6236 10.7904 10.7904 10.8322 10.8322 k = 0.0000 0.0000 0.4325 ( 13762 PWs) bands (ev): -13.0741 -13.0741 -6.9688 -6.9688 -5.8372 -5.8372 -1.9281 -1.9281 -0.6080 -0.6080 -0.5845 -0.5845 0.3965 0.3965 0.4865 0.4865 0.8050 0.8050 2.2381 2.2381 2.4349 2.4349 2.5498 2.5498 2.7880 2.7880 3.3811 3.3811 3.4967 3.4967 3.6494 3.6494 3.6640 3.6640 3.7678 3.7678 4.1586 4.1586 4.1909 4.1909 4.2405 4.2405 4.3468 4.3468 4.7335 4.7335 4.7945 4.7945 5.3391 5.3391 6.8667 6.8667 6.8822 6.8822 8.8545 8.8545 9.0416 9.0416 9.6832 9.6832 10.7767 10.7767 10.8189 10.8189 k = 0.0000 0.0000 0.4522 ( 13762 PWs) bands (ev): -13.0738 -13.0738 -6.9649 -6.9649 -5.8415 -5.8415 -1.9309 -1.9309 -0.6164 -0.6164 -0.5879 -0.5879 0.4073 0.4073 0.4927 0.4927 0.8097 0.8097 2.2385 2.2385 2.4375 2.4375 2.5798 2.5798 2.7940 2.7940 3.3876 3.3876 3.4846 3.4846 3.6313 3.6313 3.6430 3.6430 3.7572 3.7572 4.1560 4.1560 4.1908 4.1908 4.2324 4.2324 4.3362 4.3362 4.7343 4.7343 4.7874 4.7874 5.3399 5.3399 6.8845 6.8845 6.8982 6.8982 8.8068 8.8068 9.0078 9.0078 9.7463 9.7463 10.7647 10.7647 10.8074 10.8074 k = 0.0000 0.0000 0.4718 ( 13756 PWs) bands (ev): -13.0734 -13.0734 -6.9613 -6.9613 -5.8455 -5.8455 -1.9335 -1.9335 -0.6241 -0.6241 -0.5910 -0.5910 0.4172 0.4172 0.4981 0.4981 0.8141 0.8141 2.2387 2.2387 2.4400 2.4400 2.6092 2.6092 2.8000 2.8000 3.3938 3.3938 3.4692 3.4692 3.6145 3.6145 3.6271 3.6271 3.7456 3.7456 4.1530 4.1530 4.1907 4.1907 4.2245 4.2245 4.3278 4.3278 4.7350 4.7350 4.7816 4.7816 5.3406 5.3406 6.9008 6.9008 6.9130 6.9130 8.7637 8.7637 8.9753 8.9753 9.8099 9.8099 10.7544 10.7544 10.7975 10.7975 k = 0.0000 0.0000 0.4915 ( 13756 PWs) bands (ev): -13.0731 -13.0731 -6.9580 -6.9580 -5.8491 -5.8491 -1.9358 -1.9358 -0.6308 -0.6308 -0.5936 -0.5936 0.4260 0.4260 0.5028 0.5028 0.8179 0.8179 2.2389 2.2389 2.4423 2.4423 2.6373 2.6373 2.8062 2.8062 3.3996 3.3996 3.4504 3.4504 3.5993 3.5993 3.6168 3.6168 3.7334 3.7334 4.1495 4.1495 4.1905 4.1905 4.2174 4.2174 4.3214 4.3214 4.7357 4.7357 4.7768 4.7768 5.3413 5.3413 6.9155 6.9155 6.9264 6.9264 8.7256 8.7256 8.9455 8.9455 9.8713 9.8713 10.7457 10.7457 10.7892 10.7892 k = 0.0000 0.0000 0.5112 ( 13732 PWs) bands (ev): -13.0728 -13.0728 -6.9552 -6.9552 -5.8522 -5.8522 -1.9377 -1.9377 -0.6365 -0.6365 -0.5959 -0.5959 0.4335 0.4335 0.5068 0.5068 0.8213 0.8213 2.2391 2.2391 2.4443 2.4443 2.6631 2.6631 2.8128 2.8128 3.4049 3.4049 3.4296 3.4296 3.5857 3.5857 3.6115 3.6115 3.7207 3.7207 4.1459 4.1459 4.1904 4.1904 4.2115 4.2115 4.3165 4.3165 4.7362 4.7362 4.7730 4.7730 5.3418 5.3418 6.9283 6.9283 6.9382 6.9382 8.6927 8.6927 8.9191 8.9191 9.9283 9.9283 10.7385 10.7385 10.7823 10.7823 k = 0.0000 0.0000 0.5308 ( 13696 PWs) bands (ev): -13.0726 -13.0726 -6.9529 -6.9529 -5.8548 -5.8548 -1.9394 -1.9394 -0.6413 -0.6413 -0.5978 -0.5978 0.4399 0.4399 0.5101 0.5101 0.8241 0.8241 2.2392 2.2392 2.4460 2.4460 2.6855 2.6855 2.8197 2.8197 3.4084 3.4084 3.4097 3.4097 3.5741 3.5741 3.6103 3.6103 3.7082 3.7082 4.1424 4.1424 4.1903 4.1903 4.2070 4.2070 4.3129 4.3129 4.7367 4.7367 4.7700 4.7700 5.3423 5.3423 6.9390 6.9390 6.9482 6.9482 8.6654 8.6654 8.8969 8.8969 9.9787 9.9787 10.7328 10.7328 10.7768 10.7768 k = 0.0000 0.0000 0.5505 ( 13696 PWs) bands (ev): -13.0724 -13.0724 -6.9510 -6.9510 -5.8568 -5.8568 -1.9407 -1.9407 -0.6450 -0.6450 -0.5993 -0.5993 0.4448 0.4448 0.5126 0.5126 0.8264 0.8264 2.2393 2.2393 2.4474 2.4474 2.7034 2.7034 2.8267 2.8267 3.3889 3.3889 3.4137 3.4137 3.5646 3.5646 3.6118 3.6118 3.6963 3.6963 4.1392 4.1392 4.1902 4.1902 4.2036 4.2036 4.3103 4.3103 4.7370 4.7370 4.7677 4.7677 5.3427 5.3427 6.9476 6.9476 6.9562 6.9562 8.6439 8.6439 8.8792 8.8792 10.0206 10.0206 10.7284 10.7284 10.7726 10.7726 k = 0.0000 0.0000 0.5701 ( 13702 PWs) bands (ev): -13.0723 -13.0723 -6.9497 -6.9497 -5.8583 -5.8583 -1.9416 -1.9416 -0.6477 -0.6477 -0.6003 -0.6003 0.4484 0.4484 0.5144 0.5144 0.8280 0.8280 2.2393 2.2393 2.4484 2.4484 2.7163 2.7163 2.8331 2.8331 3.3732 3.3732 3.4168 3.4168 3.5576 3.5576 3.6149 3.6149 3.6860 3.6860 4.1368 4.1368 4.1901 4.1901 4.2014 4.2014 4.3086 4.3086 4.7373 4.7373 4.7662 4.7662 5.3430 5.3430 6.9538 6.9538 6.9621 6.9621 8.6284 8.6284 8.8664 8.8664 10.0521 10.0521 10.7253 10.7253 10.7697 10.7697 k = 0.0000 0.0000 0.5898 ( 13720 PWs) bands (ev): -13.0722 -13.0722 -6.9489 -6.9489 -5.8592 -5.8592 -1.9422 -1.9422 -0.6493 -0.6493 -0.6010 -0.6010 0.4506 0.4506 0.5155 0.5155 0.8290 0.8290 2.2393 2.2393 2.4490 2.4490 2.7239 2.7239 2.8378 2.8378 3.3630 3.3630 3.4188 3.4188 3.5532 3.5532 3.6181 3.6181 3.6786 3.6786 4.1353 4.1353 4.1900 4.1900 4.2001 4.2001 4.3076 4.3076 4.7374 4.7374 4.7652 4.7652 5.3431 5.3431 6.9576 6.9576 6.9656 6.9656 8.6191 8.6191 8.8586 8.8586 10.0716 10.0716 10.7235 10.7235 10.7679 10.7679 k = 0.0000 0.0000 0.6094 ( 13708 PWs) bands (ev): -13.0722 -13.0722 -6.9486 -6.9486 -5.8595 -5.8595 -1.9424 -1.9424 -0.6498 -0.6498 -0.6012 -0.6012 0.4513 0.4513 0.5159 0.5159 0.8293 0.8293 2.2394 2.2394 2.4492 2.4492 2.7265 2.7265 2.8395 2.8395 3.3594 3.3594 3.4195 3.4195 3.5517 3.5517 3.6194 3.6194 3.6758 3.6758 4.1348 4.1348 4.1900 4.1900 4.1997 4.1997 4.3072 4.3072 4.7375 4.7375 4.7649 4.7649 5.3432 5.3432 6.9588 6.9588 6.9668 6.9668 8.6159 8.6159 8.8560 8.8560 10.0783 10.0783 10.7229 10.7229 10.7673 10.7673 k = 0.0000 0.0000 0.6094 ( 13708 PWs) bands (ev): -13.0722 -13.0722 -6.9486 -6.9486 -5.8595 -5.8595 -1.9424 -1.9424 -0.6498 -0.6498 -0.6012 -0.6012 0.4513 0.4513 0.5159 0.5159 0.8293 0.8293 2.2394 2.2394 2.4492 2.4492 2.7265 2.7265 2.8395 2.8395 3.3594 3.3594 3.4195 3.4195 3.5517 3.5517 3.6194 3.6194 3.6758 3.6758 4.1348 4.1348 4.1900 4.1900 4.1997 4.1997 4.3072 4.3072 4.7375 4.7375 4.7649 4.7649 5.3432 5.3432 6.9588 6.9588 6.9668 6.9668 8.6159 8.6159 8.8560 8.8560 10.0783 10.0783 10.7229 10.7229 10.7673 10.7673 k = 0.0167 0.0096 0.6094 ( 13708 PWs) bands (ev): -13.0722 -13.0722 -6.9480 -6.9480 -5.8603 -5.8603 -1.9423 -1.9423 -0.6496 -0.6496 -0.6006 -0.6006 0.4512 0.4512 0.5163 0.5163 0.8298 0.8298 2.2389 2.2389 2.4491 2.4491 2.7244 2.7244 2.8392 2.8392 3.3578 3.3578 3.4174 3.4174 3.5476 3.5476 3.6230 3.6230 3.6777 3.6777 4.1353 4.1353 4.1906 4.1906 4.2011 4.2011 4.3105 4.3105 4.7375 4.7375 4.7653 4.7653 5.3418 5.3418 6.9541 6.9541 6.9629 6.9629 8.6221 8.6221 8.8613 8.8613 10.0804 10.0804 10.7213 10.7213 10.7655 10.7655 k = 0.0333 0.0192 0.6094 ( 13720 PWs) bands (ev): -13.0722 -13.0722 -6.9462 -6.9462 -5.8628 -5.8628 -1.9420 -1.9420 -0.6489 -0.6489 -0.5989 -0.5989 0.4510 0.4510 0.5176 0.5176 0.8315 0.8315 2.2377 2.2377 2.4487 2.4487 2.7181 2.7181 2.8384 2.8384 3.3526 3.3526 3.4112 3.4112 3.5380 3.5380 3.6303 3.6303 3.6842 3.6842 4.1367 4.1367 4.1917 4.1917 4.2055 4.2055 4.3202 4.3202 4.7376 4.7376 4.7665 4.7665 5.3376 5.3376 6.9394 6.9394 6.9519 6.9519 8.6403 8.6403 8.8771 8.8771 10.0866 10.0866 10.7164 10.7164 10.7607 10.7607 k = 0.0500 0.0289 0.6094 ( 13720 PWs) bands (ev): -13.0721 -13.0721 -6.9432 -6.9432 -5.8669 -5.8669 -1.9415 -1.9415 -0.6479 -0.6479 -0.5960 -0.5960 0.4506 0.4506 0.5198 0.5198 0.8343 0.8343 2.2355 2.2355 2.4480 2.4480 2.7080 2.7080 2.8373 2.8373 3.3432 3.3432 3.4020 3.4020 3.5265 3.5265 3.6360 3.6360 3.6969 3.6969 4.1389 4.1389 4.1926 4.1926 4.2135 4.2135 4.3361 4.3361 4.7377 4.7377 4.7685 4.7685 5.3308 5.3308 6.9148 6.9148 6.9351 6.9351 8.6695 8.6695 8.9028 8.9028 10.0966 10.0966 10.7079 10.7079 10.7542 10.7542 k = 0.0667 0.0385 0.6094 ( 13720 PWs) bands (ev): -13.0721 -13.0721 -6.9390 -6.9390 -5.8726 -5.8726 -1.9409 -1.9409 -0.6465 -0.6465 -0.5920 -0.5920 0.4501 0.4501 0.5229 0.5229 0.8382 0.8382 2.2324 2.2324 2.4470 2.4470 2.6945 2.6945 2.8359 2.8359 3.3286 3.3286 3.3910 3.3910 3.5153 3.5153 3.6385 3.6385 3.7154 3.7154 4.1418 4.1418 4.1933 4.1933 4.2244 4.2244 4.3576 4.3576 4.7381 4.7381 4.7716 4.7716 5.3213 5.3213 6.8817 6.8817 6.9131 6.9131 8.7084 8.7084 8.9376 8.9376 10.1101 10.1101 10.6960 10.6960 10.7476 10.7476 k = 0.0833 0.0481 0.6094 ( 13736 PWs) bands (ev): -13.0720 -13.0720 -6.9336 -6.9336 -5.8799 -5.8799 -1.9401 -1.9401 -0.6449 -0.6449 -0.5870 -0.5870 0.4497 0.4497 0.5269 0.5269 0.8434 0.8434 2.2281 2.2281 2.4457 2.4457 2.6781 2.6781 2.8343 2.8343 3.3082 3.3082 3.3794 3.3794 3.5054 3.5054 3.6386 3.6386 3.7378 3.7378 4.1452 4.1452 4.1937 4.1937 4.2376 4.2376 4.3836 4.3836 4.7389 4.7389 4.7761 4.7761 5.3093 5.3093 6.8415 6.8415 6.8869 6.8869 8.7552 8.7552 8.9807 8.9807 10.1263 10.1263 10.6824 10.6824 10.7417 10.7417 k = 0.1000 0.0577 0.6094 ( 13736 PWs) bands (ev): -13.0719 -13.0719 -6.9271 -6.9271 -5.8887 -5.8887 -1.9392 -1.9392 -0.6432 -0.6432 -0.5809 -0.5809 0.4493 0.4493 0.5320 0.5320 0.8498 0.8498 2.2226 2.2226 2.4441 2.4441 2.6595 2.6595 2.8325 2.8325 3.2823 3.2823 3.3678 3.3678 3.4972 3.4972 3.6374 3.6374 3.7620 3.7620 4.1489 4.1489 4.1942 4.1942 4.2526 4.2526 4.4129 4.4129 4.7404 4.7404 4.7820 4.7820 5.2949 5.2949 6.7957 6.7957 6.8572 6.8572 8.8076 8.8076 9.0311 9.0311 10.1442 10.1442 10.6696 10.6696 10.7366 10.7366 k = 0.1167 0.0674 0.6094 ( 13736 PWs) bands (ev): -13.0718 -13.0718 -6.9195 -6.9195 -5.8990 -5.8990 -1.9383 -1.9383 -0.6414 -0.6414 -0.5741 -0.5741 0.4493 0.4493 0.5381 0.5381 0.8575 0.8575 2.2157 2.2157 2.4421 2.4421 2.6395 2.6395 2.8305 2.8305 3.2517 3.2517 3.3562 3.3562 3.4909 3.4909 3.6352 3.6352 3.7871 3.7871 4.1528 4.1528 4.1947 4.1947 4.2688 4.2688 4.4439 4.4439 4.7432 4.7432 4.7899 4.7899 5.2784 5.2784 6.7457 6.7457 6.8251 6.8251 8.8636 8.8636 9.0884 9.0884 10.1627 10.1627 10.6605 10.6605 10.7326 10.7326 k = 0.1333 0.0770 0.6094 ( 13756 PWs) bands (ev): -13.0717 -13.0717 -6.9107 -6.9107 -5.9107 -5.9107 -1.9373 -1.9373 -0.6396 -0.6396 -0.5667 -0.5667 0.4498 0.4498 0.5454 0.5454 0.8665 0.8665 2.2072 2.2072 2.4397 2.4397 2.6187 2.6187 2.8283 2.8283 3.2175 3.2175 3.3447 3.3447 3.4866 3.4866 3.6323 3.6323 3.8120 3.8120 4.1568 4.1568 4.1954 4.1954 4.2855 4.2855 4.4750 4.4750 4.7478 4.7478 4.8001 4.8001 5.2600 5.2600 6.6929 6.6929 6.7914 6.7914 8.9207 8.9207 9.1518 9.1518 10.1803 10.1803 10.6575 10.6575 10.7304 10.7304 k = 0.1500 0.0866 0.6094 ( 13748 PWs) bands (ev): -13.0716 -13.0716 -6.9009 -6.9009 -5.9237 -5.9237 -1.9362 -1.9362 -0.6377 -0.6377 -0.5589 -0.5589 0.4511 0.4511 0.5537 0.5537 0.8768 0.8768 2.1968 2.1968 2.4369 2.4369 2.5978 2.5978 2.8258 2.8258 3.1804 3.1804 3.3332 3.3332 3.4840 3.4840 3.6288 3.6288 3.8361 3.8361 4.1606 4.1606 4.1968 4.1968 4.3023 4.3023 4.5043 4.5043 4.7548 4.7548 4.8131 4.8131 5.2401 5.2401 6.6384 6.6384 6.7568 6.7568 8.9769 8.9769 9.2209 9.2209 10.1960 10.1960 10.6617 10.6617 10.7313 10.7313 k = 0.1667 0.0962 0.6094 ( 13740 PWs) bands (ev): -13.0715 -13.0715 -6.8900 -6.8900 -5.9379 -5.9379 -1.9352 -1.9352 -0.6359 -0.6359 -0.5509 -0.5509 0.4532 0.4532 0.5633 0.5633 0.8885 0.8885 2.1843 2.1843 2.4337 2.4337 2.5775 2.5775 2.8230 2.8230 3.1413 3.1413 3.3222 3.3222 3.4831 3.4831 3.6246 3.6246 3.8589 3.8589 4.1638 4.1638 4.1990 4.1990 4.3185 4.3185 4.5301 4.5301 4.7645 4.7645 4.8298 4.8298 5.2191 5.2191 6.5833 6.5833 6.7220 6.7220 9.0305 9.0305 9.2951 9.2951 10.2091 10.2091 10.6718 10.6718 10.7383 10.7383 k = 0.1833 0.1058 0.6094 ( 13740 PWs) bands (ev): -13.0714 -13.0714 -6.8782 -6.8782 -5.9534 -5.9534 -1.9342 -1.9342 -0.6342 -0.6342 -0.5430 -0.5430 0.4565 0.4565 0.5741 0.5741 0.9015 0.9015 2.1695 2.1695 2.4300 2.4300 2.5582 2.5582 2.8197 2.8197 3.1006 3.1006 3.3118 3.3118 3.4837 3.4837 3.6198 3.6198 3.8802 3.8802 4.1662 4.1662 4.2023 4.2023 4.3335 4.3335 4.5513 4.5513 4.7766 4.7766 4.8507 4.8507 5.1976 5.1976 6.5284 6.5284 6.6875 6.6875 9.0803 9.0803 9.3731 9.3731 10.2199 10.2199 10.6835 10.6835 10.7554 10.7554 k = 0.2000 0.1155 0.6094 ( 13740 PWs) bands (ev): -13.0712 -13.0712 -6.8654 -6.8654 -5.9699 -5.9699 -1.9333 -1.9333 -0.6325 -0.6325 -0.5355 -0.5355 0.4610 0.4610 0.5863 0.5863 0.9158 0.9158 2.1522 2.1522 2.4259 2.4259 2.5403 2.5403 2.8157 2.8157 3.0591 3.0591 3.3025 3.3025 3.4856 3.4856 3.6144 3.6144 3.8996 3.8996 4.1675 4.1675 4.2067 4.2067 4.3468 4.3468 4.5675 4.5675 4.7901 4.7901 4.8764 4.8764 5.1763 5.1763 6.4746 6.4746 6.6536 6.6536 9.1259 9.1259 9.4538 9.4538 10.2294 10.2294 10.6939 10.6939 10.7835 10.7835 k = 0.2167 0.1251 0.6094 ( 13728 PWs) bands (ev): -13.0711 -13.0711 -6.8516 -6.8516 -5.9874 -5.9874 -1.9325 -1.9325 -0.6310 -0.6310 -0.5285 -0.5285 0.4668 0.4668 0.6000 0.6000 0.9314 0.9314 2.1324 2.1324 2.4214 2.4214 2.5240 2.5240 2.8107 2.8107 3.0174 3.0174 3.2944 3.2944 3.4886 3.4886 3.6083 3.6083 3.9172 3.9172 4.1680 4.1680 4.2121 4.2121 4.3581 4.3581 4.5793 4.5793 4.8039 4.8039 4.9063 4.9063 5.1561 5.1561 6.4225 6.4225 6.6206 6.6206 9.1672 9.1672 9.5353 9.5353 10.2383 10.2383 10.7043 10.7043 10.8161 10.8161 k = 0.2333 0.1347 0.6094 ( 13710 PWs) bands (ev): -13.0709 -13.0709 -6.8371 -6.8371 -6.0058 -6.0058 -1.9319 -1.9319 -0.6296 -0.6296 -0.5223 -0.5223 0.4738 0.4738 0.6154 0.6154 0.9481 0.9481 2.1101 2.1101 2.4167 2.4167 2.5092 2.5092 2.8041 2.8041 2.9765 2.9765 3.2878 3.2878 3.4927 3.4927 3.6016 3.6016 3.9329 3.9329 4.1676 4.1676 4.2180 4.2180 4.3671 4.3671 4.5873 4.5873 4.8167 4.8167 4.9390 4.9390 5.1386 5.1386 6.3727 6.3727 6.5889 6.5889 9.2045 9.2045 9.6158 9.6158 10.2476 10.2476 10.7172 10.7172 10.8427 10.8427 k = 0.2500 0.1443 0.6094 ( 13712 PWs) bands (ev): -13.0708 -13.0708 -6.8218 -6.8218 -6.0249 -6.0249 -1.9313 -1.9313 -0.6284 -0.6284 -0.5168 -0.5168 0.4820 0.4820 0.6325 0.6325 0.9659 0.9659 2.0855 2.0855 2.4119 2.4119 2.4958 2.4958 2.7949 2.7949 2.9378 2.9378 3.2828 3.2828 3.4977 3.4977 3.5943 3.5943 3.9469 3.9469 4.1666 4.1666 4.2242 4.2242 4.3735 4.3735 4.5925 4.5925 4.8276 4.8276 4.9726 4.9726 5.1256 5.1256 6.3256 6.3256 6.5584 6.5584 9.2385 9.2385 9.6931 9.6931 10.2571 10.2571 10.7334 10.7334 10.8543 10.8543 k = 0.2667 0.1540 0.6094 ( 13716 PWs) bands (ev): -13.0706 -13.0706 -6.8057 -6.8057 -6.0447 -6.0447 -1.9309 -1.9309 -0.6274 -0.6274 -0.5123 -0.5123 0.4912 0.4912 0.6516 0.6516 0.9848 0.9848 2.0587 2.0587 2.4072 2.4072 2.4835 2.4835 2.7811 2.7811 2.9036 2.9036 3.2796 3.2796 3.5033 3.5033 3.5865 3.5865 3.9594 3.9594 4.1652 4.1652 4.2304 4.2304 4.3774 4.3774 4.5954 4.5954 4.8352 4.8352 5.0041 5.0041 5.1201 5.1201 6.2816 6.2816 6.5294 6.5294 9.2699 9.2699 9.7653 9.7653 10.2663 10.2663 10.7508 10.7508 10.8550 10.8550 k = 0.2833 0.1636 0.6094 ( 13716 PWs) bands (ev): -13.0705 -13.0705 -6.7891 -6.7891 -6.0650 -6.0650 -1.9306 -1.9306 -0.6266 -0.6266 -0.5086 -0.5086 0.5009 0.5009 0.6728 0.6728 1.0045 1.0045 2.0300 2.0300 2.4026 2.4026 2.4720 2.4720 2.7606 2.7606 2.8766 2.8766 3.2782 3.2782 3.5095 3.5095 3.5782 3.5782 3.9704 3.9704 4.1634 4.1634 4.2364 4.2364 4.3790 4.3790 4.5963 4.5963 4.8386 4.8386 5.0299 5.0299 5.1260 5.1260 6.2408 6.2408 6.5019 6.5019 9.2995 9.2995 9.8304 9.8304 10.2742 10.2742 10.7599 10.7599 10.8647 10.8647 k = 0.3000 0.1732 0.6094 ( 13722 PWs) bands (ev): -13.0703 -13.0703 -6.7720 -6.7720 -6.0856 -6.0856 -1.9304 -1.9304 -0.6261 -0.6261 -0.5058 -0.5058 0.5110 0.5110 0.6960 0.6960 1.0249 1.0249 1.9998 1.9998 2.3982 2.3982 2.4610 2.4610 2.7328 2.7328 2.8579 2.8579 3.2786 3.2786 3.5157 3.5157 3.5698 3.5698 3.9803 3.9803 4.1614 4.1614 4.2422 4.2422 4.3785 4.3785 4.5951 4.5951 4.8374 4.8374 5.0485 5.0485 5.1447 5.1447 6.2036 6.2036 6.4759 6.4759 9.3280 9.3280 9.8870 9.8870 10.2792 10.2792 10.7546 10.7546 10.8993 10.8993 k = 0.3167 0.1828 0.6094 ( 13736 PWs) bands (ev): -13.0702 -13.0702 -6.7545 -6.7545 -6.1065 -6.1065 -1.9304 -1.9304 -0.6258 -0.6258 -0.5037 -0.5037 0.5212 0.5212 0.7212 0.7212 1.0460 1.0460 1.9684 1.9684 2.3941 2.3941 2.4499 2.4499 2.6999 2.6999 2.8458 2.8458 3.2809 3.2809 3.5211 3.5211 3.5618 3.5618 3.9891 3.9891 4.1593 4.1593 4.2476 4.2476 4.3764 4.3764 4.5918 4.5918 4.8319 4.8319 5.0628 5.0628 5.1723 5.1723 6.1697 6.1697 6.4516 6.4516 9.3561 9.3561 9.9342 9.9342 10.2799 10.2799 10.7443 10.7443 10.9549 10.9549 k = 0.3333 0.1925 0.6094 ( 13748 PWs) bands (ev): -13.0701 -13.0701 -6.7367 -6.7367 -6.1275 -6.1275 -1.9304 -1.9304 -0.6258 -0.6258 -0.5023 -0.5023 0.5311 0.5311 0.7481 0.7481 1.0674 1.0674 1.9363 1.9363 2.3903 2.3903 2.4386 2.4386 2.6652 2.6652 2.8380 2.8380 3.2850 3.2850 3.5238 3.5238 3.5563 3.5563 3.9970 3.9970 4.1572 4.1572 4.2525 4.2525 4.3729 4.3729 4.5864 4.5864 4.8233 4.8233 5.0764 5.0764 5.2036 5.2036 6.1393 6.1393 6.4290 6.4290 9.3841 9.3841 9.9720 9.9720 10.2754 10.2754 10.7374 10.7374 11.0254 11.0254 k = 0.3500 0.2021 0.6094 ( 13754 PWs) bands (ev): -13.0700 -13.0700 -6.7189 -6.7189 -6.1483 -6.1483 -1.9306 -1.9306 -0.6260 -0.6260 -0.5015 -0.5015 0.5405 0.5405 0.7764 0.7764 1.0889 1.0889 1.9038 1.9038 2.3866 2.3866 2.4267 2.4267 2.6310 2.6310 2.8326 2.8326 3.2907 3.2907 3.5207 3.5207 3.5559 3.5559 4.0040 4.0040 4.1553 4.1553 4.2567 4.2567 4.3689 4.3689 4.5788 4.5788 4.8130 4.8130 5.0905 5.0905 5.2356 5.2356 6.1121 6.1121 6.4081 6.4081 9.4123 9.4123 10.0011 10.0011 10.2655 10.2655 10.7374 10.7374 11.1071 11.1071 k = 0.3667 0.2117 0.6094 ( 13754 PWs) bands (ev): -13.0698 -13.0698 -6.7012 -6.7012 -6.1687 -6.1687 -1.9308 -1.9308 -0.6265 -0.6265 -0.5010 -0.5010 0.5492 0.5492 0.8054 0.8054 1.1104 1.1104 1.8714 1.8714 2.3827 2.3827 2.4141 2.4141 2.5993 2.5993 2.8287 2.8287 3.2980 3.2980 3.5124 3.5124 3.5601 3.5601 4.0103 4.0103 4.1538 4.1538 4.2598 4.2598 4.3650 4.3650 4.5691 4.5691 4.8023 4.8023 5.1050 5.1050 5.2668 5.2668 6.0881 6.0881 6.3891 6.3891 9.4406 9.4406 10.0226 10.0226 10.2509 10.2509 10.7445 10.7445 11.1971 11.1971 k = 0.3833 0.2213 0.6094 ( 13758 PWs) bands (ev): -13.0697 -13.0697 -6.6838 -6.6838 -6.1884 -6.1884 -1.9310 -1.9310 -0.6270 -0.6270 -0.5008 -0.5008 0.5572 0.5572 0.8345 0.8345 1.1314 1.1314 1.8397 1.8397 2.3779 2.3779 2.4015 2.4015 2.5713 2.5713 2.8259 2.8259 3.3068 3.3068 3.5012 3.5012 3.5663 3.5663 4.0159 4.0159 4.1528 4.1528 4.2614 4.2614 4.3620 4.3620 4.5576 4.5576 4.7920 4.7920 5.1194 5.1194 5.2961 5.2961 6.0669 6.0669 6.3719 6.3719 9.4686 9.4686 10.0380 10.0380 10.2330 10.2330 10.7576 10.7576 11.2928 11.2928 k = 0.4000 0.2309 0.6094 ( 13754 PWs) bands (ev): -13.0696 -13.0696 -6.6673 -6.6673 -6.2072 -6.2072 -1.9313 -1.9313 -0.6277 -0.6277 -0.5009 -0.5009 0.5642 0.5642 0.8628 0.8628 1.1516 1.1516 1.8091 1.8091 2.3700 2.3700 2.3911 2.3911 2.5478 2.5478 2.8238 2.8238 3.3169 3.3169 3.4885 3.4885 3.5729 3.5729 4.0208 4.0208 4.1525 4.1525 4.2609 4.2609 4.3609 4.3609 4.5447 4.5447 4.7827 4.7827 5.1329 5.1329 5.3231 5.3231 6.0486 6.0486 6.3568 6.3568 9.4958 9.4958 10.0485 10.0485 10.2136 10.2136 10.7748 10.7748 11.3911 11.3911 k = 0.4167 0.2406 0.6094 ( 13752 PWs) bands (ev): -13.0696 -13.0696 -6.6518 -6.6518 -6.2245 -6.2245 -1.9316 -1.9316 -0.6285 -0.6285 -0.5010 -0.5010 0.5703 0.5703 0.8893 0.8893 1.1706 1.1706 1.7805 1.7805 2.3575 2.3575 2.3852 2.3852 2.5291 2.5291 2.8222 2.8222 3.3282 3.3282 3.4750 3.4750 3.5793 3.5793 4.0250 4.0250 4.1531 4.1531 4.2583 4.2583 4.3620 4.3620 4.5311 4.5311 4.7746 4.7746 5.1453 5.1453 5.3471 5.3471 6.0330 6.0330 6.3438 6.3438 9.5215 9.5215 10.0554 10.0554 10.1943 10.1943 10.7941 10.7941 11.4890 11.4890 k = 0.4333 0.2502 0.6094 ( 13760 PWs) bands (ev): -13.0695 -13.0695 -6.6378 -6.6378 -6.2400 -6.2400 -1.9319 -1.9319 -0.6292 -0.6292 -0.5012 -0.5012 0.5754 0.5754 0.9131 0.9131 1.1878 1.1878 1.7547 1.7547 2.3430 2.3430 2.3820 2.3820 2.5149 2.5149 2.8211 2.8211 3.3404 3.3404 3.4609 3.4609 3.5849 3.5849 4.0284 4.0284 4.1544 4.1544 4.2539 4.2539 4.3653 4.3653 4.5174 4.5174 4.7680 4.7680 5.1559 5.1559 5.3676 5.3676 6.0200 6.0200 6.3329 6.3329 9.5447 9.5447 10.0594 10.0594 10.1765 10.1765 10.8134 10.8134 11.5824 11.5824 k = 0.4500 0.2598 0.6094 ( 13768 PWs) bands (ev): -13.0694 -13.0694 -6.6261 -6.6261 -6.2530 -6.2530 -1.9321 -1.9321 -0.6298 -0.6298 -0.5013 -0.5013 0.5793 0.5793 0.9330 0.9330 1.2024 1.2024 1.7328 1.7328 2.3295 2.3295 2.3801 2.3801 2.5046 2.5046 2.8202 2.8202 3.3533 3.3533 3.4465 3.4465 3.5896 3.5896 4.0311 4.0311 4.1563 4.1563 4.2486 4.2486 4.3701 4.3701 4.5045 4.5045 4.7629 4.7629 5.1645 5.1645 5.3842 5.3842 6.0098 6.0098 6.3244 6.3244 9.5643 9.5643 10.0615 10.0615 10.1615 10.1615 10.8308 10.8308 11.6661 11.6661 k = 0.4667 0.2694 0.6094 ( 13772 PWs) bands (ev): -13.0694 -13.0694 -6.6171 -6.6171 -6.2628 -6.2628 -1.9323 -1.9323 -0.6303 -0.6303 -0.5015 -0.5015 0.5822 0.5822 0.9481 0.9481 1.2137 1.2137 1.7160 1.7160 2.3187 2.3187 2.3789 2.3789 2.4977 2.4977 2.8197 2.8197 3.3665 3.3665 3.4323 3.4323 3.5931 3.5931 4.0330 4.0330 4.1584 4.1584 4.2434 4.2434 4.3753 4.3753 4.4935 4.4935 4.7593 4.7593 5.1709 5.1709 5.3964 5.3964 6.0023 6.0023 6.3182 6.3182 9.5793 9.5793 10.0623 10.0623 10.1503 10.1503 10.8447 10.8447 11.7334 11.7334 k = 0.4833 0.2791 0.6094 ( 13780 PWs) bands (ev): -13.0694 -13.0694 -6.6114 -6.6114 -6.2691 -6.2691 -1.9324 -1.9324 -0.6306 -0.6306 -0.5016 -0.5016 0.5839 0.5839 0.9575 0.9575 1.2209 1.2209 1.7053 1.7053 2.3117 2.3117 2.3783 2.3783 2.4938 2.4938 2.8194 2.8194 3.3789 3.3789 3.4193 3.4193 3.5953 3.5953 4.0341 4.0341 4.1601 4.1601 4.2397 4.2397 4.3795 4.3795 4.4860 4.4860 4.7571 4.7571 5.1747 5.1747 5.4039 5.4039 5.9978 5.9978 6.3145 6.3145 9.5888 9.5888 10.0625 10.0625 10.1433 10.1433 10.8536 10.8536 11.7771 11.7771 k = 0.5000 0.2887 0.6094 ( 13792 PWs) bands (ev): -13.0694 -13.0694 -6.6094 -6.6094 -6.2712 -6.2712 -1.9324 -1.9324 -0.6307 -0.6307 -0.5016 -0.5016 0.5845 0.5845 0.9607 0.9607 1.2234 1.2234 1.7016 1.7016 2.3093 2.3093 2.3781 2.3781 2.4925 2.4925 2.8193 2.8193 3.3856 3.3856 3.4124 3.4124 3.5960 3.5960 4.0345 4.0345 4.1608 4.1608 4.2383 4.2383 4.3811 4.3811 4.4833 4.4833 4.7564 4.7564 5.1760 5.1760 5.4065 5.4065 5.9963 5.9963 6.3132 6.3132 9.5920 9.5920 10.0625 10.0625 10.1410 10.1410 10.8567 10.8567 11.7921 11.7921 k = 0.5000 0.2887 0.6094 ( 13792 PWs) bands (ev): -13.0694 -13.0694 -6.6094 -6.6094 -6.2712 -6.2712 -1.9324 -1.9324 -0.6307 -0.6307 -0.5016 -0.5016 0.5845 0.5845 0.9607 0.9607 1.2234 1.2234 1.7016 1.7016 2.3093 2.3093 2.3781 2.3781 2.4925 2.4925 2.8193 2.8193 3.3856 3.3856 3.4124 3.4124 3.5960 3.5960 4.0345 4.0345 4.1608 4.1608 4.2383 4.2383 4.3811 4.3811 4.4833 4.4833 4.7564 4.7564 5.1760 5.1760 5.4065 5.4065 5.9963 5.9963 6.3132 6.3132 9.5920 9.5920 10.0625 10.0625 10.1410 10.1410 10.8567 10.8567 11.7921 11.7921 k = 0.4902 0.3057 0.6094 ( 13786 PWs) bands (ev): -13.0694 -13.0694 -6.6088 -6.6088 -6.2718 -6.2718 -1.9325 -1.9325 -0.6308 -0.6308 -0.5022 -0.5022 0.5858 0.5858 0.9624 0.9624 1.2231 1.2231 1.7022 1.7022 2.3074 2.3074 2.3730 2.3730 2.4964 2.4964 2.8195 2.8195 3.3835 3.3835 3.4145 3.4145 3.5963 3.5963 4.0303 4.0303 4.1565 4.1565 4.2459 4.2459 4.3809 4.3809 4.4840 4.4840 4.7557 4.7557 5.1766 5.1766 5.4069 5.4069 5.9965 5.9965 6.3106 6.3106 9.5955 9.5955 10.0633 10.0633 10.1420 10.1420 10.8601 10.8601 11.7914 11.7914 k = 0.4804 0.3226 0.6094 ( 13778 PWs) bands (ev): -13.0694 -13.0694 -6.6070 -6.6070 -6.2738 -6.2738 -1.9328 -1.9328 -0.6312 -0.6312 -0.5038 -0.5038 0.5898 0.5898 0.9678 0.9678 1.2224 1.2224 1.7038 1.7038 2.3018 2.3018 2.3595 2.3595 2.5066 2.5066 2.8203 2.8203 3.3787 3.3787 3.4196 3.4196 3.5973 3.5973 4.0179 4.0179 4.1486 4.1486 4.2633 4.2633 4.3807 4.3807 4.4861 4.4861 4.7535 4.7535 5.1781 5.1781 5.4081 5.4081 5.9974 5.9974 6.3028 6.3028 9.6058 9.6058 10.0659 10.0659 10.1451 10.1451 10.8704 10.8704 11.7894 11.7894 k = 0.4706 0.3396 0.6094 ( 13768 PWs) bands (ev): -13.0693 -13.0693 -6.6039 -6.6039 -6.2771 -6.2771 -1.9332 -1.9332 -0.6318 -0.6318 -0.5065 -0.5065 0.5964 0.5964 0.9764 0.9764 1.2213 1.2213 1.7064 1.7064 2.2925 2.2925 2.3405 2.3405 2.5202 2.5202 2.8216 2.8216 3.3728 3.3728 3.4261 3.4261 3.5988 3.5988 3.9982 3.9982 4.1429 4.1429 4.2828 4.2828 4.3811 4.3811 4.4896 4.4896 4.7503 4.7503 5.1802 5.1802 5.4102 5.4102 5.9987 5.9987 6.2903 6.2903 9.6226 9.6226 10.0700 10.0700 10.1502 10.1502 10.8874 10.8874 11.7861 11.7861 k = 0.4608 0.3566 0.6094 ( 13768 PWs) bands (ev): -13.0693 -13.0693 -6.5996 -6.5996 -6.2816 -6.2816 -1.9337 -1.9337 -0.6326 -0.6326 -0.5101 -0.5101 0.6055 0.6055 0.9882 0.9882 1.2200 1.2200 1.7100 1.7100 2.2794 2.2794 2.3182 2.3182 2.5354 2.5354 2.8231 2.8231 3.3667 3.3667 3.4332 3.4332 3.6007 3.6007 3.9735 3.9735 4.1406 4.1406 4.2998 4.2998 4.3837 4.3837 4.4947 4.4947 4.7463 4.7463 5.1826 5.1826 5.4134 5.4134 6.0002 6.0002 6.2737 6.2737 9.6454 9.6454 10.0756 10.0756 10.1570 10.1570 10.9110 10.9110 11.7818 11.7818 k = 0.4510 0.3736 0.6094 ( 13764 PWs) bands (ev): -13.0693 -13.0693 -6.5942 -6.5942 -6.2874 -6.2874 -1.9343 -1.9343 -0.6335 -0.6335 -0.5144 -0.5144 0.6167 0.6167 1.0027 1.0027 1.2186 1.2186 1.7145 1.7145 2.2626 2.2626 2.2941 2.2941 2.5511 2.5511 2.8249 2.8249 3.3608 3.3608 3.4406 3.4406 3.6026 3.6026 3.9458 3.9458 4.1412 4.1412 4.3110 4.3110 4.3893 4.3893 4.5019 4.5019 4.7420 4.7420 5.1847 5.1847 5.4178 5.4178 6.0017 6.0017 6.2537 6.2537 9.6734 9.6734 10.0826 10.0826 10.1652 10.1652 10.9408 10.9408 11.7765 11.7765 k = 0.4412 0.3906 0.6094 ( 13776 PWs) bands (ev): -13.0693 -13.0693 -6.5875 -6.5875 -6.2944 -6.2944 -1.9351 -1.9351 -0.6346 -0.6346 -0.5193 -0.5193 0.6298 0.6298 1.0194 1.0194 1.2176 1.2176 1.7197 1.7197 2.2419 2.2419 2.2696 2.2696 2.5667 2.5667 2.8266 2.8266 3.3553 3.3553 3.4481 3.4481 3.6043 3.6043 3.9172 3.9172 4.1440 4.1440 4.3159 4.3159 4.3970 4.3970 4.5117 4.5117 4.7377 4.7377 5.1860 5.1860 5.4234 5.4234 6.0029 6.0029 6.2315 6.2315 9.7059 9.7059 10.0907 10.0907 10.1745 10.1745 10.9764 10.9764 11.7707 11.7707 k = 0.4314 0.4075 0.6094 ( 13780 PWs) bands (ev): -13.0693 -13.0693 -6.5797 -6.5797 -6.3027 -6.3027 -1.9359 -1.9359 -0.6358 -0.6358 -0.5247 -0.5247 0.6445 0.6445 1.0377 1.0377 1.2172 1.2172 1.7256 1.7256 2.2175 2.2175 2.2453 2.2453 2.5819 2.5819 2.8283 2.8283 3.3506 3.3506 3.4556 3.4556 3.6053 3.6053 3.8890 3.8890 4.1482 4.1482 4.3162 4.3162 4.4042 4.4042 4.5245 4.5245 4.7339 4.7339 5.1862 5.1862 5.4301 5.4301 6.0033 6.0033 6.2082 6.2082 9.7421 9.7421 10.0997 10.0997 10.1843 10.1843 11.0173 11.0173 11.7647 11.7647 k = 0.4216 0.4245 0.6094 ( 13780 PWs) bands (ev): -13.0692 -13.0692 -6.5707 -6.5707 -6.3121 -6.3121 -1.9368 -1.9368 -0.6370 -0.6370 -0.5302 -0.5302 0.6604 0.6604 1.0565 1.0565 1.2181 1.2181 1.7319 1.7319 2.1903 2.1903 2.2212 2.2212 2.5965 2.5965 2.8297 2.8297 3.3467 3.3467 3.4630 3.4630 3.6050 3.6050 3.8626 3.8626 4.1534 4.1534 4.3141 4.3141 4.4087 4.4087 4.5402 4.5402 4.7309 4.7309 5.1852 5.1852 5.4378 5.4378 6.0025 6.0025 6.1851 6.1851 9.7809 9.7809 10.1093 10.1093 10.1942 10.1942 11.0627 11.0627 11.7587 11.7587 k = 0.4118 0.4415 0.6094 ( 13780 PWs) bands (ev): -13.0692 -13.0692 -6.5606 -6.5606 -6.3227 -6.3227 -1.9377 -1.9377 -0.6381 -0.6381 -0.5358 -0.5358 0.6769 0.6769 1.0749 1.0749 1.2210 1.2210 1.7383 1.7383 2.1620 2.1620 2.1970 2.1970 2.6102 2.6102 2.8310 2.8310 3.3438 3.3438 3.4703 3.4703 3.6029 3.6029 3.8389 3.8389 4.1591 4.1591 4.3109 4.3109 4.4098 4.4098 4.5580 4.5580 4.7285 4.7285 5.1829 5.1829 5.4463 5.4463 6.0000 6.0000 6.1635 6.1635 9.8216 9.8216 10.1190 10.1190 10.2033 10.2033 11.1115 11.1115 11.7528 11.7528 k = 0.4020 0.4585 0.6094 ( 13780 PWs) bands (ev): -13.0692 -13.0692 -6.5494 -6.5494 -6.3344 -6.3344 -1.9385 -1.9385 -0.6392 -0.6392 -0.5412 -0.5412 0.6936 0.6936 1.0916 1.0916 1.2268 1.2268 1.7446 1.7446 2.1337 2.1337 2.1725 2.1725 2.6228 2.6228 2.8320 2.8320 3.3420 3.3420 3.4774 3.4774 3.5985 3.5985 3.8188 3.8188 4.1650 4.1650 4.3075 4.3075 4.4078 4.4078 4.5767 4.5767 4.7268 4.7268 5.1795 5.1795 5.4550 5.4550 5.9954 5.9954 6.1447 6.1447 9.8634 9.8634 10.1286 10.1286 10.2110 10.2110 11.1625 11.1625 11.7465 11.7465 k = 0.3922 0.4755 0.6094 ( 13772 PWs) bands (ev): -13.0691 -13.0691 -6.5371 -6.5371 -6.3472 -6.3472 -1.9394 -1.9394 -0.6403 -0.6403 -0.5462 -0.5462 0.7098 0.7098 1.1056 1.1056 1.2359 1.2359 1.7503 1.7503 2.1068 2.1068 2.1481 2.1481 2.6342 2.6342 2.8328 2.8328 3.3412 3.3412 3.4843 3.4843 3.5913 3.5913 3.8030 3.8030 4.1708 4.1708 4.3047 4.3047 4.4034 4.4034 4.5954 4.5954 4.7254 4.7254 5.1755 5.1755 5.4636 5.4636 5.9886 5.9886 6.1295 6.1295 9.9055 9.9055 10.1373 10.1373 10.2164 10.2164 11.2143 11.2143 11.7379 11.7379 k = 0.3824 0.4924 0.6094 ( 13752 PWs) bands (ev): -13.0691 -13.0691 -6.5238 -6.5238 -6.3610 -6.3610 -1.9401 -1.9401 -0.6412 -0.6412 -0.5507 -0.5507 0.7249 0.7249 1.1165 1.1165 1.2480 1.2480 1.7550 1.7550 2.0826 2.0826 2.1242 2.1242 2.6440 2.6440 2.8335 2.8335 3.3415 3.3415 3.4911 3.4911 3.5816 3.5816 3.7915 3.7915 4.1760 4.1760 4.3028 4.3028 4.3974 4.3974 4.6135 4.6135 4.7237 4.7237 5.1711 5.1711 5.4716 5.4716 5.9803 5.9803 6.1181 6.1181 9.9473 9.9473 10.1445 10.1445 10.2188 10.2188 11.2656 11.2656 11.7237 11.7237 k = 0.3725 0.5094 0.6094 ( 13754 PWs) bands (ev): -13.0691 -13.0691 -6.5095 -6.5095 -6.3757 -6.3757 -1.9408 -1.9408 -0.6420 -0.6420 -0.5546 -0.5546 0.7383 0.7383 1.1248 1.1248 1.2616 1.2616 1.7583 1.7583 2.0624 2.0624 2.1014 2.1014 2.6522 2.6522 2.8341 2.8341 3.3425 3.3425 3.4977 3.4977 3.5700 3.5700 3.7838 3.7838 4.1804 4.1804 4.3021 4.3021 4.3903 4.3903 4.6306 4.6306 4.7212 4.7212 5.1670 5.1670 5.4787 5.4787 5.9712 5.9712 6.1102 6.1102 9.9884 9.9884 10.1496 10.1496 10.2173 10.2173 11.3150 11.3150 11.7019 11.7019 k = 0.3627 0.5264 0.6094 ( 13760 PWs) bands (ev): -13.0690 -13.0690 -6.4942 -6.4942 -6.3914 -6.3914 -1.9413 -1.9413 -0.6427 -0.6427 -0.5577 -0.5577 0.7493 0.7493 1.1311 1.1311 1.2750 1.2750 1.7601 1.7601 2.0473 2.0473 2.0804 2.0804 2.6586 2.6586 2.8346 2.8346 3.3442 3.3442 3.5044 3.5044 3.5576 3.5576 3.7792 3.7792 4.1837 4.1837 4.3027 4.3027 4.3831 4.3831 4.6466 4.6466 4.7171 4.7171 5.1635 5.1635 5.4845 5.4845 5.9628 5.9628 6.1050 6.1050 10.0283 10.0283 10.1521 10.1521 10.2113 10.2113 11.3614 11.3614 11.6738 11.6738 k = 0.3529 0.5434 0.6094 ( 13752 PWs) bands (ev): -13.0690 -13.0690 -6.4780 -6.4780 -6.4078 -6.4078 -1.9417 -1.9417 -0.6432 -0.6432 -0.5600 -0.5600 0.7575 0.7575 1.1360 1.1360 1.2860 1.2860 1.7607 1.7607 2.0382 2.0382 2.0623 2.0623 2.6630 2.6630 2.8351 2.8351 3.3460 3.3460 3.5111 3.5111 3.5453 3.5453 3.7767 3.7767 4.1860 4.1860 4.3042 4.3042 4.3765 4.3765 4.6612 4.6612 4.7112 4.7112 5.1610 5.1610 5.4889 5.4889 5.9561 5.9561 6.1017 6.1017 10.0662 10.0662 10.1516 10.1516 10.2003 10.2003 11.4035 11.4035 11.6431 11.6431 k = 0.3431 0.5604 0.6094 ( 13756 PWs) bands (ev): -13.0690 -13.0690 -6.4610 -6.4610 -6.4251 -6.4251 -1.9420 -1.9420 -0.6435 -0.6435 -0.5613 -0.5613 0.7625 0.7625 1.1394 1.1394 1.2932 1.2932 1.7605 1.7605 2.0353 2.0353 2.0482 2.0482 2.6656 2.6656 2.8354 2.8354 3.3475 3.3475 3.5181 3.5181 3.5345 3.5345 3.7756 3.7756 4.1871 4.1871 4.3060 4.3060 4.3717 4.3717 4.6740 4.6740 4.7035 4.7035 5.1595 5.1595 5.4915 5.4915 5.9517 5.9517 6.1000 6.1000 10.0996 10.0996 10.1502 10.1502 10.1844 10.1844 11.4371 11.4371 11.6155 11.6155 k = 0.3333 0.5774 0.6094 ( 13764 PWs) bands (ev): -13.0690 -13.0690 -6.4431 -6.4431 -6.4430 -6.4430 -1.9420 -1.9420 -0.6436 -0.6436 -0.5618 -0.5618 0.7642 0.7642 1.1408 1.1408 1.2956 1.2956 1.7603 1.7603 2.0370 2.0370 2.0407 2.0407 2.6664 2.6664 2.8355 2.8355 3.3481 3.3481 3.5242 3.5242 3.5269 3.5269 3.7753 3.7753 4.1875 4.1875 4.3068 4.3068 4.3698 4.3698 4.6813 4.6813 4.6979 4.6979 5.1591 5.1591 5.4925 5.4925 5.9502 5.9502 6.0995 6.0995 10.1148 10.1148 10.1566 10.1566 10.1681 10.1681 11.4517 11.4517 11.6029 11.6029 k = 0.3333 0.5774 0.6094 ( 13764 PWs) bands (ev): -13.0690 -13.0690 -6.4431 -6.4431 -6.4430 -6.4430 -1.9420 -1.9420 -0.6436 -0.6436 -0.5618 -0.5618 0.7642 0.7642 1.1408 1.1408 1.2956 1.2956 1.7603 1.7603 2.0370 2.0370 2.0407 2.0407 2.6664 2.6664 2.8355 2.8355 3.3481 3.3481 3.5242 3.5242 3.5269 3.5269 3.7753 3.7753 4.1875 4.1875 4.3068 4.3068 4.3698 4.3698 4.6813 4.6813 4.6979 4.6979 5.1591 5.1591 5.4925 5.4925 5.9502 5.9502 6.0995 6.0995 10.1148 10.1148 10.1566 10.1566 10.1681 10.1681 11.4517 11.4517 11.6029 11.6029 k = 0.3235 0.5604 0.6094 ( 13760 PWs) bands (ev): -13.0690 -13.0690 -6.4617 -6.4617 -6.4244 -6.4244 -1.9420 -1.9420 -0.6435 -0.6435 -0.5613 -0.5613 0.7626 0.7626 1.1389 1.1389 1.2934 1.2934 1.7606 1.7606 2.0356 2.0356 2.0481 2.0481 2.6657 2.6657 2.8354 2.8354 3.3473 3.3473 3.5193 3.5193 3.5334 3.5334 3.7755 3.7755 4.1872 4.1872 4.3058 4.3058 4.3719 4.3719 4.6735 4.6735 4.7042 4.7042 5.1594 5.1594 5.4915 5.4915 5.9517 5.9517 6.1000 6.1000 10.1048 10.1048 10.1367 10.1367 10.1929 10.1929 11.4363 11.4363 11.6157 11.6157 k = 0.3137 0.5434 0.6094 ( 13762 PWs) bands (ev): -13.0690 -13.0690 -6.4808 -6.4808 -6.4050 -6.4050 -1.9417 -1.9417 -0.6432 -0.6432 -0.5600 -0.5600 0.7579 0.7579 1.1321 1.1321 1.2877 1.2877 1.7619 1.7619 2.0391 2.0391 2.0622 2.0622 2.6635 2.6635 2.8349 2.8349 3.3450 3.3450 3.5159 3.5159 3.5414 3.5414 3.7763 3.7763 4.1866 4.1866 4.3027 4.3027 4.3779 4.3779 4.6589 4.6589 4.7145 4.7145 5.1599 5.1599 5.4888 5.4888 5.9563 5.9563 6.1016 6.1016 10.0823 10.0823 10.1100 10.1100 10.2277 10.2277 11.3990 11.3990 11.6425 11.6425 k = 0.3039 0.5264 0.6094 ( 13762 PWs) bands (ev): -13.0691 -13.0691 -6.5005 -6.5005 -6.3849 -6.3849 -1.9413 -1.9413 -0.6426 -0.6426 -0.5578 -0.5578 0.7504 0.7504 1.1190 1.1190 1.2798 1.2798 1.7644 1.7644 2.0486 2.0486 2.0818 2.0818 2.6602 2.6602 2.8341 2.8341 3.3411 3.3411 3.5151 3.5151 3.5494 3.5494 3.7777 3.7777 4.1858 4.1858 4.2983 4.2983 4.3869 4.3869 4.6423 4.6423 4.7248 4.7248 5.1601 5.1601 5.4840 5.4840 5.9639 5.9639 6.1044 6.1044 10.0507 10.0507 10.0830 10.0830 10.2638 10.2638 11.3508 11.3508 11.6620 11.6620 k = 0.2941 0.5094 0.6094 ( 13762 PWs) bands (ev): -13.0691 -13.0691 -6.5205 -6.5205 -6.3643 -6.3643 -1.9407 -1.9407 -0.6419 -0.6419 -0.5549 -0.5549 0.7404 0.7404 1.0990 1.0990 1.2708 1.2708 1.7686 1.7686 2.0626 2.0626 2.1069 2.1069 2.6558 2.6558 2.8330 2.8330 3.3360 3.3360 3.5162 3.5162 3.5572 3.5572 3.7804 3.7804 4.1849 4.1849 4.2931 4.2931 4.3982 4.3982 4.6248 4.6248 4.7346 4.7346 5.1595 5.1595 5.4773 5.4773 5.9743 5.9743 6.1085 6.1085 10.0128 10.0128 10.0554 10.0554 10.3005 10.3005 11.2964 11.2964 11.6564 11.6564 k = 0.2843 0.4924 0.6094 ( 13780 PWs) bands (ev): -13.0691 -13.0691 -6.5409 -6.5409 -6.3430 -6.3430 -1.9401 -1.9401 -0.6410 -0.6410 -0.5514 -0.5514 0.7284 0.7284 1.0726 1.0726 1.2606 1.2606 1.7753 1.7753 2.0796 2.0796 2.1375 2.1375 2.6508 2.6508 2.8316 2.8316 3.3300 3.3300 3.5187 3.5187 3.5640 3.5640 3.7848 3.7848 4.1839 4.1839 4.2878 4.2878 4.4109 4.4109 4.6072 4.6072 4.7438 4.7438 5.1577 5.1577 5.4683 5.4683 5.9873 5.9873 6.1143 6.1143 9.9711 9.9711 10.0264 10.0264 10.3378 10.3378 11.2378 11.2378 11.6239 11.6239 k = 0.2745 0.4755 0.6094 ( 13778 PWs) bands (ev): -13.0692 -13.0692 -6.5616 -6.5616 -6.3213 -6.3213 -1.9393 -1.9393 -0.6399 -0.6399 -0.5472 -0.5472 0.7146 0.7146 1.0413 1.0413 1.2487 1.2487 1.7850 1.7850 2.0985 2.0985 2.1734 2.1734 2.6452 2.6452 2.8302 2.8302 3.3234 3.3234 3.5219 3.5219 3.5692 3.5692 3.7915 3.7915 4.1829 4.1829 4.2824 4.2824 4.4244 4.4244 4.5903 4.5903 4.7524 4.7524 5.1542 5.1542 5.4568 5.4568 6.0029 6.0029 6.1220 6.1220 9.9272 9.9272 9.9961 9.9961 10.3757 10.3757 11.1760 11.1760 11.5738 11.5738 k = 0.2647 0.4585 0.6094 ( 13778 PWs) bands (ev): -13.0693 -13.0693 -6.5824 -6.5824 -6.2992 -6.2992 -1.9384 -1.9384 -0.6387 -0.6387 -0.5427 -0.5427 0.6994 0.6994 1.0065 1.0065 1.2347 1.2347 1.7980 1.7980 2.1184 2.1184 2.2135 2.2135 2.6392 2.6392 2.8289 2.8289 3.3167 3.3167 3.5255 3.5255 3.5725 3.5725 3.8009 3.8009 4.1819 4.1819 4.2770 4.2770 4.4383 4.4383 4.5747 4.5747 4.7603 4.7603 5.1491 5.1491 5.4425 5.4425 6.0208 6.0208 6.1318 6.1318 9.8826 9.8826 9.9647 9.9647 10.4144 10.4144 11.1115 11.1115 11.5134 11.5134 k = 0.2549 0.4415 0.6094 ( 13778 PWs) bands (ev): -13.0693 -13.0693 -6.6033 -6.6033 -6.2768 -6.2768 -1.9375 -1.9375 -0.6374 -0.6374 -0.5378 -0.5378 0.6829 0.6829 0.9697 0.9697 1.2183 1.2183 1.8144 1.8144 2.1390 2.1390 2.2569 2.2569 2.6332 2.6332 2.8279 2.8279 3.3100 3.3100 3.5288 3.5288 3.5740 3.5740 3.8128 3.8128 4.1809 4.1809 4.2716 4.2716 4.4517 4.4517 4.5612 4.5612 4.7676 4.7676 5.1422 5.1422 5.4252 5.4252 6.0409 6.0409 6.1440 6.1440 9.8380 9.8380 9.9325 9.9325 10.4538 10.4538 11.0449 11.0449 11.4468 11.4468 k = 0.2451 0.4245 0.6094 ( 13774 PWs) bands (ev): -13.0694 -13.0694 -6.6242 -6.6242 -6.2541 -6.2541 -1.9365 -1.9365 -0.6361 -0.6361 -0.5328 -0.5328 0.6654 0.6654 0.9320 0.9320 1.1997 1.1997 1.8338 1.8338 2.1599 2.1599 2.3025 2.3025 2.6274 2.6274 2.8273 2.8273 3.3036 3.3036 3.5313 3.5313 3.5742 3.5742 3.8269 3.8269 4.1799 4.1799 4.2660 4.2660 4.4637 4.4637 4.5508 4.5508 4.7743 4.7743 5.1338 5.1338 5.4047 5.4047 6.0630 6.0630 6.1590 6.1590 9.7945 9.7945 9.8998 9.8998 10.4941 10.4941 10.9767 10.9767 11.3766 11.3766 k = 0.2353 0.4075 0.6094 ( 13754 PWs) bands (ev): -13.0695 -13.0695 -6.6450 -6.6450 -6.2312 -6.2312 -1.9355 -1.9355 -0.6348 -0.6348 -0.5279 -0.5279 0.6472 0.6472 0.8944 0.8944 1.1791 1.1791 1.8559 1.8559 2.1809 2.1809 2.3494 2.3494 2.6221 2.6221 2.8274 2.8274 3.2976 3.2976 3.5323 3.5323 3.5741 3.5741 3.8424 3.8424 4.1790 4.1790 4.2602 4.2602 4.4727 4.4727 4.5448 4.5448 4.7805 4.7805 5.1242 5.1242 5.3809 5.3809 6.0868 6.0868 6.1769 6.1769 9.7525 9.7525 9.8664 9.8664 10.5353 10.5353 10.9077 10.9077 11.3047 11.3047 k = 0.2255 0.3906 0.6094 ( 13758 PWs) bands (ev): -13.0696 -13.0696 -6.6657 -6.6657 -6.2082 -6.2082 -1.9346 -1.9346 -0.6336 -0.6336 -0.5232 -0.5232 0.6284 0.6284 0.8577 0.8577 1.1570 1.1570 1.8800 1.8800 2.2020 2.2020 2.3962 2.3962 2.6182 2.6182 2.8283 2.8283 3.2922 3.2922 3.5313 3.5313 3.5747 3.5747 3.8585 3.8585 4.1782 4.1782 4.2540 4.2540 4.4772 4.4772 4.5442 4.5442 4.7863 4.7863 5.1136 5.1136 5.3537 5.3537 6.1121 6.1121 6.1979 6.1979 9.7125 9.7125 9.8323 9.8323 10.5772 10.5772 10.8384 10.8384 11.2329 11.2329 k = 0.2157 0.3736 0.6094 ( 13746 PWs) bands (ev): -13.0697 -13.0697 -6.6862 -6.6862 -6.1852 -6.1852 -1.9338 -1.9338 -0.6325 -0.6325 -0.5189 -0.5189 0.6093 0.6093 0.8225 0.8225 1.1339 1.1339 1.9057 1.9057 2.2229 2.2229 2.4412 2.4412 2.6168 2.6168 2.8302 2.8302 3.2875 3.2875 3.5282 3.5282 3.5767 3.5767 3.8742 3.8742 4.1776 4.1776 4.2476 4.2476 4.4770 4.4770 4.5488 4.5488 4.7918 4.7918 5.1027 5.1027 5.3233 5.3233 6.1388 6.1388 6.2223 6.2223 9.6748 9.6748 9.7971 9.7971 10.6195 10.6195 10.7700 10.7700 11.1626 11.1626 k = 0.2059 0.3566 0.6094 ( 13734 PWs) bands (ev): -13.0699 -13.0699 -6.7064 -6.7064 -6.1622 -6.1622 -1.9330 -1.9330 -0.6316 -0.6316 -0.5153 -0.5153 0.5900 0.5900 0.7892 0.7892 1.1103 1.1103 1.9324 1.9324 2.2437 2.2437 2.4812 2.4812 2.6206 2.6206 2.8334 2.8334 3.2836 3.2836 3.5233 3.5233 3.5798 3.5798 3.8888 3.8888 4.1773 4.1773 4.2410 4.2410 4.4733 4.4733 4.5562 4.5562 4.7971 4.7971 5.0919 5.0919 5.2901 5.2901 6.1666 6.1666 6.2499 6.2499 9.6390 9.6390 9.7606 9.7606 10.6573 10.6573 10.7078 10.7078 11.0956 11.0956 k = 0.1961 0.3396 0.6094 ( 13734 PWs) bands (ev): -13.0700 -13.0700 -6.7261 -6.7261 -6.1394 -6.1394 -1.9324 -1.9324 -0.6308 -0.6308 -0.5125 -0.5125 0.5710 0.5710 0.7581 0.7581 1.0864 1.0864 1.9597 1.9597 2.2642 2.2642 2.5116 2.5116 2.6337 2.6337 2.8384 2.8384 3.2807 3.2807 3.5175 3.5175 3.5837 3.5837 3.9015 3.9015 4.1773 4.1773 4.2343 4.2343 4.4677 4.4677 4.5642 4.5642 4.8020 4.8020 5.0817 5.0817 5.2548 5.2548 6.1957 6.1957 6.2807 6.2807 9.6047 9.6047 9.7225 9.7225 10.6280 10.6280 10.7146 10.7146 11.0337 11.0337 k = 0.1863 0.3226 0.6094 ( 13736 PWs) bands (ev): -13.0701 -13.0701 -6.7455 -6.7455 -6.1168 -6.1168 -1.9319 -1.9319 -0.6302 -0.6302 -0.5107 -0.5107 0.5525 0.5525 0.7293 0.7293 1.0627 1.0627 1.9872 1.9872 2.2844 2.2844 2.5290 2.5290 2.6586 2.6586 2.8456 2.8456 3.2789 3.2789 3.5114 3.5114 3.5882 3.5882 3.9117 3.9117 4.1775 4.1775 4.2278 4.2278 4.4607 4.4607 4.5714 4.5714 4.8063 4.8063 5.0723 5.0723 5.2184 5.2184 6.2261 6.2261 6.3144 6.3144 9.5708 9.5708 9.6826 9.6826 10.5662 10.5662 10.7551 10.7551 10.9795 10.9795 k = 0.1765 0.3057 0.6094 ( 13728 PWs) bands (ev): -13.0703 -13.0703 -6.7642 -6.7642 -6.0946 -6.0946 -1.9315 -1.9315 -0.6299 -0.6299 -0.5102 -0.5102 0.5349 0.5349 0.7030 0.7030 1.0395 1.0395 2.0143 2.0143 2.3043 2.3043 2.5364 2.5364 2.6911 2.6911 2.8561 2.8561 3.2783 3.2783 3.5053 3.5053 3.5929 3.5929 3.9189 3.9189 4.1780 4.1780 4.2216 4.2216 4.4523 4.4523 4.5771 4.5771 4.8093 4.8093 5.0632 5.0632 5.1832 5.1832 6.2583 6.2583 6.3507 6.3507 9.5358 9.5358 9.6413 9.6413 10.5060 10.5060 10.7911 10.7911 10.9387 10.9387 k = 0.1667 0.2887 0.6094 ( 13736 PWs) bands (ev): -13.0704 -13.0704 -6.7824 -6.7824 -6.0728 -6.0728 -1.9314 -1.9314 -0.6299 -0.6299 -0.5108 -0.5108 0.5185 0.5185 0.6791 0.6791 1.0169 1.0169 2.0408 2.0408 2.3237 2.3237 2.5389 2.5389 2.7245 2.7245 2.8718 2.8718 3.2790 3.2790 3.4996 3.4996 3.5977 3.5977 3.9229 3.9229 4.1785 4.1785 4.2160 4.2160 4.4424 4.4424 4.5810 4.5810 4.8103 4.8103 5.0514 5.0514 5.1533 5.1533 6.2923 6.2923 6.3892 6.3892 9.4974 9.4974 9.5993 9.5993 10.4498 10.4498 10.8069 10.8069 10.9259 10.9259 k = 0.1569 0.2717 0.6094 ( 13752 PWs) bands (ev): -13.0706 -13.0706 -6.8000 -6.8000 -6.0516 -6.0516 -1.9314 -1.9314 -0.6301 -0.6301 -0.5129 -0.5129 0.5036 0.5036 0.6573 0.6573 0.9953 0.9953 2.0663 2.0663 2.3425 2.3425 2.5398 2.5398 2.7534 2.7534 2.8945 2.8945 3.2812 3.2812 3.4944 3.4944 3.6025 3.6025 3.9234 3.9234 4.1787 4.1787 4.2110 4.2110 4.4307 4.4307 4.5829 4.5829 4.8088 4.8088 5.0315 5.0315 5.1356 5.1356 6.3285 6.3285 6.4295 6.4295 9.4535 9.4535 9.5572 9.5572 10.3989 10.3989 10.7941 10.7941 10.9469 10.9469 k = 0.1471 0.2547 0.6094 ( 13756 PWs) bands (ev): -13.0707 -13.0707 -6.8168 -6.8168 -6.0310 -6.0310 -1.9316 -1.9316 -0.6305 -0.6305 -0.5163 -0.5163 0.4905 0.4905 0.6377 0.6377 0.9747 0.9747 2.0905 2.0905 2.3606 2.3606 2.5409 2.5409 2.7753 2.7753 2.9251 2.9251 3.2848 3.2848 3.4899 3.4899 3.6071 3.6071 3.9204 3.9204 4.1784 4.1784 4.2070 4.2070 4.4173 4.4173 4.5828 4.5828 4.8046 4.8046 5.0014 5.0014 5.1328 5.1328 6.3671 6.3671 6.4713 6.4713 9.4029 9.4029 9.5150 9.5150 10.3541 10.3541 10.7711 10.7711 10.9598 10.9598 k = 0.1373 0.2377 0.6094 ( 13744 PWs) bands (ev): -13.0709 -13.0709 -6.8328 -6.8328 -6.0111 -6.0111 -1.9320 -1.9320 -0.6312 -0.6312 -0.5209 -0.5209 0.4794 0.4794 0.6200 0.6200 0.9553 0.9553 2.1130 2.1130 2.3777 2.3777 2.5433 2.5433 2.7907 2.7907 2.9620 2.9620 3.2899 3.2899 3.4862 3.4862 3.6117 3.6117 3.9140 3.9140 4.1773 4.1773 4.2039 4.2039 4.4020 4.4020 4.5802 4.5802 4.7979 4.7979 4.9657 4.9657 5.1410 5.1410 6.4081 6.4081 6.5142 6.5142 9.3458 9.3458 9.4717 9.4717 10.3161 10.3161 10.7490 10.7490 10.9113 10.9113 k = 0.1275 0.2208 0.6094 ( 13746 PWs) bands (ev): -13.0710 -13.0710 -6.8479 -6.8479 -5.9920 -5.9920 -1.9326 -1.9326 -0.6321 -0.6321 -0.5268 -0.5268 0.4703 0.4703 0.6040 0.6040 0.9372 0.9372 2.1337 2.1337 2.3932 2.3932 2.5480 2.5480 2.8016 2.8016 3.0028 3.0028 3.2964 3.2964 3.4834 3.4834 3.6160 3.6160 3.9043 3.9043 4.1752 4.1752 4.2017 4.2017 4.3852 4.3852 4.5747 4.5747 4.7894 4.7894 4.9291 4.9291 5.1557 5.1557 6.4515 6.4515 6.5578 6.5578 9.2836 9.2836 9.4255 9.4255 10.2850 10.2850 10.7301 10.7301 10.8519 10.8519 k = 0.1176 0.2038 0.6094 ( 13758 PWs) bands (ev): -13.0712 -13.0712 -6.8622 -6.8622 -5.9739 -5.9739 -1.9333 -1.9333 -0.6333 -0.6333 -0.5336 -0.5336 0.4630 0.4630 0.5897 0.5897 0.9205 0.9205 2.1524 2.1524 2.4067 2.4067 2.5557 2.5557 2.8095 2.8095 3.0454 3.0454 3.3042 3.3042 3.4815 3.4815 3.6200 3.6200 3.8914 3.8914 4.1724 4.1724 4.2002 4.2002 4.3671 4.3671 4.5653 4.5653 4.7797 4.7797 4.8947 4.8947 5.1742 5.1742 6.4973 6.4973 6.6019 6.6019 9.2177 9.2177 9.3757 9.3757 10.2599 10.2599 10.7134 10.7134 10.8009 10.8009 k = 0.1078 0.1868 0.6094 ( 13750 PWs) bands (ev): -13.0713 -13.0713 -6.8755 -6.8755 -5.9568 -5.9568 -1.9341 -1.9341 -0.6346 -0.6346 -0.5411 -0.5411 0.4576 0.4576 0.5769 0.5769 0.9052 0.9052 2.1689 2.1689 2.4178 2.4178 2.5668 2.5668 2.8155 2.8155 3.0883 3.0883 3.3132 3.3132 3.4807 3.4807 3.6238 3.6238 3.8755 3.8755 4.1690 4.1690 4.1990 4.1990 4.3481 4.3481 4.5513 4.5513 4.7697 4.7697 4.8643 4.8643 5.1947 5.1947 6.5451 6.5451 6.6459 6.6459 9.1494 9.1494 9.3220 9.3220 10.2394 10.2394 10.6965 10.6965 10.7642 10.7642 k = 0.0980 0.1698 0.6094 ( 13758 PWs) bands (ev): -13.0715 -13.0715 -6.8878 -6.8878 -5.9408 -5.9408 -1.9351 -1.9351 -0.6361 -0.6361 -0.5491 -0.5491 0.4538 0.4538 0.5655 0.5655 0.8913 0.8913 2.1834 2.1834 2.4265 2.4265 2.5812 2.5812 2.8202 2.8202 3.1306 3.1306 3.3230 3.3230 3.4810 3.4810 3.6273 3.6273 3.8569 3.8569 4.1652 4.1652 4.1980 4.1980 4.3286 4.3286 4.5319 4.5319 4.7605 4.7605 4.8391 4.8391 5.2159 5.2159 6.5946 6.5946 6.6895 6.6895 9.0801 9.0801 9.2652 9.2652 10.2213 10.2213 10.6784 10.6784 10.7437 10.7437 k = 0.0882 0.1528 0.6094 ( 13754 PWs) bands (ev): -13.0716 -13.0716 -6.8991 -6.8991 -5.9260 -5.9260 -1.9361 -1.9361 -0.6378 -0.6378 -0.5573 -0.5573 0.4513 0.4513 0.5555 0.5555 0.8790 0.8790 2.1958 2.1958 2.4330 2.4330 2.5985 2.5985 2.8241 2.8241 3.1715 3.1715 3.3335 3.3335 3.4826 3.4826 3.6304 3.6304 3.8359 3.8359 4.1613 4.1613 4.1972 4.1972 4.3090 4.3090 4.5073 4.5073 4.7527 4.7527 4.8191 4.8191 5.2370 5.2370 6.6451 6.6451 6.7323 6.7323 9.0110 9.0110 9.2064 9.2064 10.2038 10.2038 10.6638 10.6638 10.7350 10.7350 k = 0.0784 0.1358 0.6094 ( 13746 PWs) bands (ev): -13.0717 -13.0717 -6.9093 -6.9093 -5.9126 -5.9126 -1.9371 -1.9371 -0.6395 -0.6395 -0.5654 -0.5654 0.4499 0.4499 0.5467 0.5467 0.8681 0.8681 2.2062 2.2062 2.4377 2.4377 2.6177 2.6177 2.8272 2.8272 3.2103 3.2103 3.3445 3.3445 3.4856 3.4856 3.6332 3.6332 3.8130 3.8130 4.1572 4.1572 4.1964 4.1964 4.2898 4.2898 4.4786 4.4786 4.7468 4.7468 4.8037 4.8037 5.2573 5.2573 6.6960 6.6960 6.7735 6.7735 8.9432 8.9432 9.1471 9.1471 10.1855 10.1855 10.6570 10.6570 10.7326 10.7326 k = 0.0686 0.1189 0.6094 ( 13730 PWs) bands (ev): -13.0718 -13.0718 -6.9184 -6.9184 -5.9004 -5.9004 -1.9381 -1.9381 -0.6413 -0.6413 -0.5731 -0.5731 0.4493 0.4493 0.5391 0.5391 0.8586 0.8586 2.2149 2.2149 2.4411 2.4411 2.6378 2.6378 2.8298 2.8298 3.2462 3.2462 3.3557 3.3557 3.4902 3.4902 3.6357 3.6357 3.7888 3.7888 4.1531 4.1531 4.1956 4.1956 4.2715 4.2715 4.4476 4.4476 4.7428 4.7428 4.7920 4.7920 5.2762 5.2762 6.7462 6.7462 6.8127 6.8127 8.8781 8.8781 9.0892 9.0892 10.1663 10.1663 10.6589 10.6589 10.7337 10.7337 k = 0.0588 0.1019 0.6094 ( 13730 PWs) bands (ev): -13.0719 -13.0719 -6.9263 -6.9263 -5.8898 -5.8898 -1.9391 -1.9391 -0.6431 -0.6431 -0.5802 -0.5802 0.4493 0.4493 0.5327 0.5327 0.8506 0.8506 2.2220 2.2220 2.4436 2.4436 2.6577 2.6577 2.8321 2.8321 3.2784 3.2784 3.3670 3.3670 3.4965 3.4965 3.6376 3.6376 3.7640 3.7640 4.1492 4.1492 4.1949 4.1949 4.2543 4.2543 4.4162 4.4162 4.7402 4.7402 4.7832 4.7832 5.2932 5.2932 6.7945 6.7945 6.8490 6.8490 8.8169 8.8169 9.0342 9.0342 10.1468 10.1468 10.6678 10.6678 10.7370 10.7370 k = 0.0490 0.0849 0.6094 ( 13740 PWs) bands (ev): -13.0720 -13.0720 -6.9331 -6.9331 -5.8807 -5.8807 -1.9400 -1.9400 -0.6448 -0.6448 -0.5864 -0.5864 0.4496 0.4496 0.5274 0.5274 0.8439 0.8439 2.2277 2.2277 2.4455 2.4455 2.6766 2.6766 2.8340 2.8340 3.3057 3.3057 3.3785 3.3785 3.5047 3.5047 3.6387 3.6387 3.7396 3.7396 4.1454 4.1454 4.1943 4.1943 4.2387 4.2387 4.3862 4.3862 4.7388 4.7388 4.7767 4.7767 5.3080 5.3080 6.8396 6.8396 6.8818 6.8818 8.7610 8.7610 8.9840 8.9840 10.1281 10.1281 10.6808 10.6808 10.7416 10.7416 k = 0.0392 0.0679 0.6094 ( 13728 PWs) bands (ev): -13.0721 -13.0721 -6.9386 -6.9386 -5.8731 -5.8731 -1.9408 -1.9408 -0.6464 -0.6464 -0.5917 -0.5917 0.4501 0.4501 0.5232 0.5232 0.8386 0.8386 2.2321 2.2321 2.4469 2.4469 2.6934 2.6934 2.8358 2.8358 3.3271 3.3271 3.3901 3.3901 3.5146 3.5146 3.6386 3.6386 3.7169 3.7169 4.1420 4.1420 4.1936 4.1936 4.2251 4.2251 4.3594 4.3594 4.7381 4.7381 4.7720 4.7720 5.3205 5.3205 6.8799 6.8799 6.9103 6.9103 8.7120 8.7120 8.9403 8.9403 10.1113 10.1113 10.6949 10.6949 10.7473 10.7473 k = 0.0294 0.0509 0.6094 ( 13726 PWs) bands (ev): -13.0721 -13.0721 -6.9430 -6.9430 -5.8672 -5.8672 -1.9415 -1.9415 -0.6478 -0.6478 -0.5958 -0.5958 0.4506 0.4506 0.5199 0.5199 0.8345 0.8345 2.2354 2.2354 2.4479 2.4479 2.7074 2.7074 2.8372 2.8372 3.3425 3.3425 3.4014 3.4014 3.5259 3.5259 3.6363 3.6363 3.6978 3.6978 4.1391 4.1391 4.1928 4.1928 4.2139 4.2139 4.3372 4.3372 4.7377 4.7377 4.7687 4.7687 5.3303 5.3303 6.9135 6.9135 6.9336 6.9336 8.6715 8.6715 8.9044 8.9044 10.0973 10.0973 10.7073 10.7073 10.7539 10.7539 k = 0.0196 0.0340 0.6094 ( 13718 PWs) bands (ev): -13.0722 -13.0722 -6.9461 -6.9461 -5.8629 -5.8629 -1.9420 -1.9420 -0.6489 -0.6489 -0.5988 -0.5988 0.4510 0.4510 0.5177 0.5177 0.8316 0.8316 2.2376 2.2376 2.4486 2.4486 2.7178 2.7178 2.8384 2.8384 3.3523 3.3523 3.4109 3.4109 3.5375 3.5375 3.6306 3.6306 3.6845 3.6845 4.1368 4.1368 4.1918 4.1918 4.2058 4.2058 4.3207 4.3207 4.7376 4.7376 4.7665 4.7665 5.3374 5.3374 6.9387 6.9387 6.9513 6.9513 8.6412 8.6412 8.8779 8.8779 10.0869 10.0869 10.7162 10.7162 10.7604 10.7604 k = 0.0098 0.0170 0.6094 ( 13704 PWs) bands (ev): -13.0722 -13.0722 -6.9480 -6.9480 -5.8603 -5.8603 -1.9423 -1.9423 -0.6496 -0.6496 -0.6006 -0.6006 0.4512 0.4512 0.5163 0.5163 0.8299 0.8299 2.2389 2.2389 2.4491 2.4491 2.7243 2.7243 2.8392 2.8392 3.3577 3.3577 3.4173 3.4173 3.5475 3.5475 3.6231 3.6231 3.6778 3.6778 4.1353 4.1353 4.1906 4.1906 4.2011 4.2011 4.3106 4.3106 4.7375 4.7375 4.7653 4.7653 5.3417 5.3417 6.9539 6.9539 6.9627 6.9627 8.6223 8.6223 8.8615 8.8615 10.0804 10.0804 10.7213 10.7213 10.7655 10.7655 k = 0.0000 0.0000 0.6094 ( 13708 PWs) bands (ev): -13.0722 -13.0722 -6.9486 -6.9486 -5.8595 -5.8595 -1.9424 -1.9424 -0.6498 -0.6498 -0.6012 -0.6012 0.4513 0.4513 0.5159 0.5159 0.8293 0.8293 2.2394 2.2394 2.4492 2.4492 2.7265 2.7265 2.8395 2.8395 3.3594 3.3594 3.4195 3.4195 3.5517 3.5517 3.6194 3.6194 3.6758 3.6758 4.1348 4.1348 4.1900 4.1900 4.1997 4.1997 4.3072 4.3072 4.7375 4.7375 4.7649 4.7649 5.3432 5.3432 6.9588 6.9588 6.9668 6.9668 8.6159 8.6159 8.8560 8.8560 10.0783 10.0783 10.7229 10.7229 10.7673 10.7673 k = 0.5000 0.2887 0.6094 ( 13792 PWs) bands (ev): -13.0694 -13.0694 -6.6094 -6.6094 -6.2712 -6.2712 -1.9324 -1.9324 -0.6307 -0.6307 -0.5016 -0.5016 0.5845 0.5845 0.9607 0.9607 1.2234 1.2234 1.7016 1.7016 2.3093 2.3093 2.3781 2.3781 2.4925 2.4925 2.8193 2.8193 3.3856 3.3856 3.4124 3.4124 3.5960 3.5960 4.0345 4.0345 4.1608 4.1608 4.2383 4.2383 4.3811 4.3811 4.4833 4.4833 4.7564 4.7564 5.1760 5.1760 5.4065 5.4065 5.9963 5.9963 6.3132 6.3132 9.5920 9.5920 10.0625 10.0625 10.1410 10.1410 10.8567 10.8567 11.7921 11.7921 k = 0.5000 0.2887 0.5898 ( 13802 PWs) bands (ev): -13.0694 -13.0694 -6.6096 -6.6096 -6.2711 -6.2711 -1.9323 -1.9323 -0.6305 -0.6305 -0.5018 -0.5018 0.5848 0.5848 0.9610 0.9610 1.2235 1.2235 1.7018 1.7018 2.3091 2.3091 2.3777 2.3777 2.4926 2.4926 2.8192 2.8192 3.3844 3.3844 3.4134 3.4134 3.5964 3.5964 4.0345 4.0345 4.1591 4.1591 4.2398 4.2398 4.3810 4.3810 4.4834 4.4834 4.7563 4.7563 5.1770 5.1770 5.4063 5.4063 5.9963 5.9963 6.3131 6.3131 9.5912 9.5912 10.0633 10.0633 10.1432 10.1432 10.8501 10.8501 11.7931 11.7931 k = 0.5000 0.2887 0.5701 ( 13782 PWs) bands (ev): -13.0695 -13.0695 -6.6104 -6.6104 -6.2708 -6.2708 -1.9320 -1.9320 -0.6297 -0.6297 -0.5025 -0.5025 0.5859 0.5859 0.9622 0.9622 1.2240 1.2240 1.7023 1.7023 2.3085 2.3085 2.3766 2.3766 2.4930 2.4930 2.8189 2.8189 3.3814 3.3814 3.4161 3.4161 3.5976 3.5976 4.0345 4.0345 4.1544 4.1544 4.2438 4.2438 4.3808 4.3808 4.4840 4.4840 4.7559 4.7559 5.1797 5.1797 5.4057 5.4057 5.9965 5.9965 6.3127 6.3127 9.5887 9.5887 10.0655 10.0655 10.1501 10.1501 10.8308 10.8308 11.7960 11.7960 k = 0.5000 0.2887 0.5505 ( 13778 PWs) bands (ev): -13.0696 -13.0696 -6.6115 -6.6115 -6.2703 -6.2703 -1.9316 -1.9316 -0.6285 -0.6285 -0.5036 -0.5036 0.5876 0.5876 0.9641 0.9641 1.2247 1.2247 1.7031 1.7031 2.3075 2.3075 2.3748 2.3748 2.4937 2.4937 2.8185 2.8185 3.3772 3.3772 3.4197 3.4197 3.5996 3.5996 4.0345 4.0345 4.1475 4.1475 4.2494 4.2494 4.3806 4.3806 4.4849 4.4849 4.7553 4.7553 5.1842 5.1842 5.4049 5.4049 5.9967 5.9967 6.3121 6.3121 9.5845 9.5845 10.0691 10.0691 10.1614 10.1614 10.7999 10.7999 11.8007 11.8007 k = 0.5000 0.2887 0.5308 ( 13768 PWs) bands (ev): -13.0697 -13.0697 -6.6132 -6.6132 -6.2696 -6.2696 -1.9309 -1.9309 -0.6268 -0.6268 -0.5050 -0.5050 0.5900 0.5900 0.9668 0.9668 1.2257 1.2257 1.7041 1.7041 2.3062 2.3062 2.3724 2.3724 2.4945 2.4945 2.8178 2.8178 3.3725 3.3725 3.4236 3.4236 3.6024 3.6024 4.0345 4.0345 4.1392 4.1392 4.2558 4.2558 4.3805 4.3805 4.4862 4.4862 4.7546 4.7546 5.1903 5.1903 5.4040 5.4040 5.9969 5.9969 6.3113 6.3113 9.5787 9.5787 10.0739 10.0739 10.1771 10.1771 10.7591 10.7591 11.8070 11.8070 k = 0.5000 0.2887 0.5112 ( 13756 PWs) bands (ev): -13.0699 -13.0699 -6.6152 -6.6152 -6.2688 -6.2688 -1.9300 -1.9300 -0.6247 -0.6247 -0.5068 -0.5068 0.5931 0.5931 0.9702 0.9702 1.2270 1.2270 1.7055 1.7055 2.3044 2.3044 2.3694 2.3694 2.4955 2.4955 2.8170 2.8170 3.3676 3.3676 3.4274 3.4274 3.6059 3.6059 4.0344 4.0344 4.1301 4.1301 4.2624 4.2624 4.3804 4.3804 4.4879 4.4879 4.7537 4.7537 5.1979 5.1979 5.4032 5.4032 5.9971 5.9971 6.3102 6.3102 9.5711 9.5711 10.0799 10.0799 10.1968 10.1968 10.7102 10.7102 11.8147 11.8147 k = 0.5000 0.2887 0.4915 ( 13754 PWs) bands (ev): -13.0701 -13.0701 -6.6177 -6.6177 -6.2678 -6.2678 -1.9290 -1.9290 -0.6221 -0.6221 -0.5089 -0.5089 0.5967 0.5967 0.9743 0.9743 1.2286 1.2286 1.7071 1.7071 2.3023 2.3023 2.3658 2.3658 2.4966 2.4966 2.8161 2.8161 3.3625 3.3625 3.4312 3.4312 3.6101 3.6101 4.0342 4.0342 4.1205 4.1205 4.2685 4.2685 4.3806 4.3806 4.4901 4.4901 4.7527 4.7527 5.2068 5.2068 5.4028 5.4028 5.9972 5.9972 6.3088 6.3088 9.5617 9.5617 10.0873 10.0873 10.2199 10.2199 10.6553 10.6553 11.8235 11.8235 k = 0.5000 0.2887 0.4718 ( 13772 PWs) bands (ev): -13.0704 -13.0704 -6.6205 -6.6205 -6.2667 -6.2667 -1.9279 -1.9279 -0.6193 -0.6193 -0.5112 -0.5112 0.6008 0.6008 0.9791 0.9791 1.2305 1.2305 1.7090 1.7090 2.2999 2.2999 2.3617 2.3617 2.4978 2.4978 2.8149 2.8149 3.3576 3.3576 3.4346 3.4346 3.6150 3.6150 4.0338 4.0338 4.1107 4.1107 4.2740 4.2740 4.3811 4.3811 4.4929 4.4929 4.7517 4.7517 5.2169 5.2169 5.4032 5.4032 5.9970 5.9970 6.3071 6.3071 9.5500 9.5500 10.0962 10.0962 10.2458 10.2458 10.5962 10.5962 11.8331 11.8331 k = 0.5000 0.2887 0.4522 ( 13768 PWs) bands (ev): -13.0707 -13.0707 -6.6236 -6.6236 -6.2654 -6.2654 -1.9266 -1.9266 -0.6161 -0.6161 -0.5137 -0.5137 0.6055 0.6055 0.9846 0.9846 1.2326 1.2326 1.7111 1.7111 2.2971 2.2971 2.3572 2.3572 2.4990 2.4990 2.8136 2.8136 3.3527 3.3527 3.4377 3.4377 3.6205 3.6205 4.0331 4.0331 4.1008 4.1008 4.2785 4.2785 4.3819 4.3819 4.4961 4.4961 4.7507 4.7507 5.2278 5.2278 5.4045 5.4045 5.9967 5.9967 6.3052 6.3052 9.5358 9.5358 10.1069 10.1069 10.2737 10.2737 10.5346 10.5346 11.8429 11.8429 k = 0.5000 0.2887 0.4325 ( 13770 PWs) bands (ev): -13.0710 -13.0710 -6.6270 -6.6270 -6.2641 -6.2641 -1.9252 -1.9252 -0.6128 -0.6128 -0.5162 -0.5162 0.6105 0.6105 0.9907 0.9907 1.2350 1.2350 1.7133 1.7133 2.2941 2.2941 2.3523 2.3523 2.5001 2.5001 2.8121 2.8121 3.3480 3.3480 3.4404 3.4404 3.6266 3.6266 4.0320 4.0320 4.0910 4.0910 4.2821 4.2821 4.3832 4.3832 4.5000 4.5000 4.7499 4.7499 5.2393 5.2393 5.4070 5.4070 5.9960 5.9960 6.3030 6.3030 9.5184 9.5184 10.1196 10.1196 10.3026 10.3026 10.4724 10.4724 11.8514 11.8514 k = 0.5000 0.2887 0.4129 ( 13764 PWs) bands (ev): -13.0714 -13.0714 -6.6307 -6.6307 -6.2627 -6.2627 -1.9237 -1.9237 -0.6094 -0.6094 -0.5187 -0.5187 0.6159 0.6159 0.9974 0.9974 1.2377 1.2377 1.7158 1.7158 2.2907 2.2907 2.3471 2.3471 2.5011 2.5011 2.8105 2.8105 3.3435 3.3435 3.4427 3.4427 3.6331 3.6331 4.0304 4.0304 4.0815 4.0815 4.2847 4.2847 4.3849 4.3849 4.5044 4.5044 4.7492 4.7492 5.2512 5.2512 5.4110 5.4110 5.9952 5.9952 6.3005 6.3005 9.4975 9.4975 10.1345 10.1345 10.3306 10.3306 10.4122 10.4122 11.8543 11.8543 k = 0.5000 0.2887 0.3932 ( 13758 PWs) bands (ev): -13.0717 -13.0717 -6.6345 -6.6345 -6.2612 -6.2612 -1.9221 -1.9221 -0.6060 -0.6060 -0.5209 -0.5209 0.6217 0.6217 1.0047 1.0047 1.2406 1.2406 1.7184 1.7184 2.2871 2.2871 2.3417 2.3417 2.5020 2.5020 2.8088 2.8088 3.3393 3.3393 3.4445 3.4445 3.6400 3.6400 4.0279 4.0279 4.0724 4.0724 4.2866 4.2866 4.3867 4.3867 4.5094 4.5094 4.7487 4.7487 5.2633 5.2633 5.4165 5.4165 5.9942 5.9942 6.2978 6.2978 9.4724 9.4724 10.1517 10.1517 10.3357 10.3357 10.3763 10.3763 11.8384 11.8384 k = 0.5000 0.2887 0.3735 ( 13758 PWs) bands (ev): -13.0721 -13.0721 -6.6385 -6.6385 -6.2597 -6.2597 -1.9205 -1.9205 -0.6029 -0.6029 -0.5228 -0.5228 0.6276 0.6276 1.0124 1.0124 1.2437 1.2437 1.7211 1.7211 2.2831 2.2831 2.3362 2.3362 2.5028 2.5028 2.8069 2.8069 3.3353 3.3353 3.4459 3.4459 3.6472 3.6472 4.0242 4.0242 4.0641 4.0641 4.2879 4.2879 4.3888 4.3888 4.5148 4.5148 4.7486 4.7486 5.2753 5.2753 5.4237 5.4237 5.9931 5.9931 6.2948 6.2948 9.4427 9.4427 10.1708 10.1708 10.2860 10.2860 10.3973 10.3973 11.7929 11.7929 k = 0.5000 0.2887 0.3539 ( 13762 PWs) bands (ev): -13.0726 -13.0726 -6.6426 -6.6426 -6.2582 -6.2582 -1.9188 -1.9188 -0.6001 -0.6001 -0.5240 -0.5240 0.6337 0.6337 1.0206 1.0206 1.2470 1.2470 1.7239 1.7239 2.2789 2.2789 2.3306 2.3306 2.5033 2.5033 2.8050 2.8050 3.3316 3.3316 3.4469 3.4469 3.6547 3.6547 4.0190 4.0190 4.0570 4.0570 4.2889 4.2889 4.3908 4.3908 4.5205 4.5205 4.7488 4.7488 5.2871 5.2871 5.4324 5.4324 5.9920 5.9920 6.2916 6.2916 9.4082 9.4082 10.1878 10.1878 10.2375 10.2375 10.4234 10.4234 11.7333 11.7333 k = 0.5000 0.2887 0.3342 ( 13748 PWs) bands (ev): -13.0730 -13.0730 -6.6468 -6.6468 -6.2568 -6.2568 -1.9172 -1.9172 -0.5980 -0.5980 -0.5246 -0.5246 0.6399 0.6399 1.0293 1.0293 1.2504 1.2504 1.7267 1.7267 2.2743 2.2743 2.3251 2.3251 2.5037 2.5037 2.8031 2.8031 3.3281 3.3281 3.4474 3.4474 3.6623 3.6623 4.0119 4.0119 4.0512 4.0512 4.2898 4.2898 4.3928 4.3928 4.5264 4.5264 4.7495 4.7495 5.2985 5.2985 5.4426 5.4426 5.9910 5.9910 6.2883 6.2883 9.3688 9.3688 10.1676 10.1676 10.2316 10.2316 10.4475 10.4475 11.6722 11.6722 k = 0.5000 0.2887 0.3146 ( 13750 PWs) bands (ev): -13.0734 -13.0734 -6.6510 -6.6510 -6.2553 -6.2553 -1.9155 -1.9155 -0.5966 -0.5966 -0.5243 -0.5243 0.6461 0.6461 1.0382 1.0382 1.2539 1.2539 1.7296 1.7296 2.2694 2.2694 2.3197 2.3197 2.5038 2.5038 2.8012 2.8012 3.3250 3.3250 3.4476 3.4476 3.6699 3.6699 4.0032 4.0032 4.0467 4.0467 4.2909 4.2909 4.3947 4.3947 4.5324 4.5324 4.7507 4.7507 5.3096 5.3096 5.4541 5.4541 5.9904 5.9904 6.2848 6.2848 9.3248 9.3248 10.1221 10.1221 10.2575 10.2575 10.4683 10.4683 11.6144 11.6144 k = 0.5000 0.2887 0.2949 ( 13750 PWs) bands (ev): -13.0738 -13.0738 -6.6552 -6.6552 -6.2539 -6.2539 -1.9139 -1.9139 -0.5960 -0.5960 -0.5230 -0.5230 0.6522 0.6522 1.0475 1.0475 1.2574 1.2574 1.7325 1.7325 2.2641 2.2641 2.3147 2.3147 2.5036 2.5036 2.7992 2.7992 3.3222 3.3222 3.4474 3.4474 3.6775 3.6775 3.9930 3.9930 4.0433 4.0433 4.2922 4.2922 4.3964 4.3964 4.5384 4.5384 4.7525 4.7525 5.3200 5.3200 5.4665 5.4665 5.9902 5.9902 6.2812 6.2812 9.2768 9.2768 10.0769 10.0769 10.2896 10.2896 10.4849 10.4849 11.5615 11.5615 k = 0.5000 0.2887 0.2752 ( 13746 PWs) bands (ev): -13.0743 -13.0743 -6.6593 -6.6593 -6.2525 -6.2525 -1.9123 -1.9123 -0.5962 -0.5962 -0.5208 -0.5208 0.6583 0.6583 1.0570 1.0570 1.2609 1.2609 1.7355 1.7355 2.2584 2.2584 2.3100 2.3100 2.5033 2.5033 2.7974 2.7974 3.3196 3.3196 3.4469 3.4469 3.6850 3.6850 3.9819 3.9819 4.0405 4.0405 4.2938 4.2938 4.3980 4.3980 4.5442 4.5442 4.7548 4.7548 5.3300 5.3300 5.4796 5.4796 5.9907 5.9907 6.2777 6.2777 9.2256 9.2256 10.0341 10.0341 10.3255 10.3255 10.4968 10.4968 11.5145 11.5145 k = 0.5000 0.2887 0.2556 ( 13758 PWs) bands (ev): -13.0747 -13.0747 -6.6632 -6.6632 -6.2512 -6.2512 -1.9108 -1.9108 -0.5972 -0.5972 -0.5178 -0.5178 0.6642 0.6642 1.0666 1.0666 1.2643 1.2643 1.7384 1.7384 2.2523 2.2523 2.3058 2.3058 2.5027 2.5027 2.7956 2.7956 3.3173 3.3173 3.4461 3.4461 3.6925 3.6925 3.9700 3.9700 4.0382 4.0382 4.2958 4.2958 4.3994 4.3994 4.5496 4.5496 4.7577 4.7577 5.3393 5.3393 5.4929 5.4929 5.9919 5.9919 6.2743 6.2743 9.1721 9.1721 9.9938 9.9938 10.3650 10.3650 10.5037 10.5037 11.4737 11.4737 k = 0.5000 0.2887 0.2359 ( 13768 PWs) bands (ev): -13.0751 -13.0751 -6.6671 -6.6671 -6.2499 -6.2499 -1.9093 -1.9093 -0.5987 -0.5987 -0.5142 -0.5142 0.6699 0.6699 1.0763 1.0763 1.2674 1.2674 1.7412 1.7412 2.2460 2.2460 2.3021 2.3021 2.5019 2.5019 2.7939 2.7939 3.3152 3.3152 3.4451 3.4451 3.6997 3.6997 3.9576 3.9576 4.0363 4.0363 4.2981 4.2981 4.4007 4.4007 4.5547 4.5547 4.7611 4.7611 5.3478 5.3478 5.5063 5.5063 5.9938 5.9938 6.2710 6.2710 9.1173 9.1173 9.9559 9.9559 10.4077 10.4077 10.5057 10.5057 11.4390 11.4390 k = 0.5000 0.2887 0.2163 ( 13768 PWs) bands (ev): -13.0755 -13.0755 -6.6708 -6.6708 -6.2487 -6.2487 -1.9079 -1.9079 -0.6006 -0.6006 -0.5101 -0.5101 0.6753 0.6753 1.0860 1.0860 1.2704 1.2704 1.7440 1.7440 2.2394 2.2394 2.2988 2.2988 2.5010 2.5010 2.7924 2.7924 3.3134 3.3134 3.4439 3.4439 3.7069 3.7069 3.9450 3.9450 4.0347 4.0347 4.3007 4.3007 4.4018 4.4018 4.5594 4.5594 4.7650 4.7650 5.3556 5.3556 5.5193 5.5193 5.9966 5.9966 6.2680 6.2680 9.0622 9.0622 9.9204 9.9204 10.4531 10.4531 10.5033 10.5033 11.4099 11.4099 k = 0.5000 0.2887 0.1966 ( 13768 PWs) bands (ev): -13.0759 -13.0759 -6.6742 -6.6742 -6.2476 -6.2476 -1.9066 -1.9066 -0.6027 -0.6027 -0.5058 -0.5058 0.6804 0.6804 1.0956 1.0956 1.2730 1.2730 1.7467 1.7467 2.2327 2.2327 2.2961 2.2961 2.4998 2.4998 2.7910 2.7910 3.3118 3.3118 3.4426 3.4426 3.7138 3.7138 3.9323 3.9323 4.0334 4.0334 4.3035 4.3035 4.4028 4.4028 4.5635 4.5635 4.7693 4.7693 5.3626 5.3626 5.5318 5.5318 6.0002 6.0002 6.2655 6.2655 9.0080 9.0080 9.8871 9.8871 10.4921 10.4921 10.5063 10.5063 11.3860 11.3860 k = 0.5000 0.2887 0.1769 ( 13772 PWs) bands (ev): -13.0762 -13.0762 -6.6775 -6.6775 -6.2467 -6.2467 -1.9054 -1.9054 -0.6050 -0.6050 -0.5015 -0.5015 0.6851 0.6851 1.1049 1.1049 1.2753 1.2753 1.7494 1.7494 2.2260 2.2260 2.2938 2.2938 2.4986 2.4986 2.7898 2.7898 3.3104 3.3104 3.4412 3.4412 3.7206 3.7206 3.9196 3.9196 4.0323 4.0323 4.3064 4.3064 4.4037 4.4037 4.5672 4.5672 4.7739 4.7739 5.3687 5.3687 5.5435 5.5435 6.0044 6.0044 6.2633 6.2633 8.9555 8.9555 9.8562 9.8562 10.4856 10.4856 10.5541 10.5541 11.3664 11.3664 k = 0.5000 0.2887 0.1573 ( 13748 PWs) bands (ev): -13.0765 -13.0765 -6.6804 -6.6804 -6.2458 -6.2458 -1.9044 -1.9044 -0.6072 -0.6072 -0.4973 -0.4973 0.6894 0.6894 1.1139 1.1139 1.2772 1.2772 1.7518 1.7518 2.2194 2.2194 2.2920 2.2920 2.4973 2.4973 2.7887 2.7887 3.3092 3.3092 3.4398 3.4398 3.7272 3.7272 3.9072 3.9072 4.0315 4.0315 4.3093 4.3093 4.4046 4.4046 4.5704 4.5704 4.7786 4.7786 5.3739 5.3739 5.5543 5.5543 6.0090 6.0090 6.2617 6.2617 8.9056 8.9056 9.8278 9.8278 10.4741 10.4741 10.6067 10.6067 11.3506 11.3506 k = 0.5000 0.2887 0.1376 ( 13732 PWs) bands (ev): -13.0768 -13.0768 -6.6831 -6.6831 -6.2450 -6.2450 -1.9034 -1.9034 -0.6094 -0.6094 -0.4933 -0.4933 0.6933 0.6933 1.1224 1.1224 1.2787 1.2787 1.7542 1.7542 2.2132 2.2132 2.2905 2.2905 2.4960 2.4960 2.7878 2.7878 3.3082 3.3082 3.4383 3.4383 3.7337 3.7337 3.8951 3.8951 4.0308 4.0308 4.3122 4.3122 4.4053 4.4053 4.5732 4.5732 4.7833 4.7833 5.3782 5.3782 5.5640 5.5640 6.0139 6.0139 6.2607 6.2607 8.8594 8.8594 9.8020 9.8020 10.4614 10.4614 10.6606 10.6606 11.3378 11.3378 k = 0.5000 0.2887 0.1180 ( 13740 PWs) bands (ev): -13.0771 -13.0771 -6.6854 -6.6854 -6.2443 -6.2443 -1.9026 -1.9026 -0.6114 -0.6114 -0.4896 -0.4896 0.6968 0.6968 1.1303 1.1303 1.2798 1.2798 1.7563 1.7563 2.2074 2.2074 2.2893 2.2893 2.4948 2.4948 2.7870 2.7870 3.3073 3.3073 3.4370 3.4370 3.7400 3.7400 3.8837 3.8837 4.0303 4.0303 4.3149 4.3149 4.4059 4.4059 4.5755 4.5755 4.7878 4.7878 5.3817 5.3817 5.5726 5.5726 6.0187 6.0187 6.2602 6.2602 8.8174 8.8174 9.7791 9.7791 10.4484 10.4484 10.7148 10.7148 11.3274 11.3274 k = 0.5000 0.2887 0.0983 ( 13736 PWs) bands (ev): -13.0773 -13.0773 -6.6875 -6.6875 -6.2437 -6.2437 -1.9018 -1.9018 -0.6131 -0.6131 -0.4863 -0.4863 0.6997 0.6997 1.1374 1.1374 1.2805 1.2805 1.7582 1.7582 2.2023 2.2023 2.2885 2.2885 2.4936 2.4936 2.7864 2.7864 3.3066 3.3066 3.4358 3.4358 3.7460 3.7460 3.8730 3.8730 4.0299 4.0299 4.3173 4.3173 4.4064 4.4064 4.5774 4.5774 4.7920 4.7920 5.3844 5.3844 5.5800 5.5800 6.0231 6.0231 6.2602 6.2602 8.7806 8.7806 9.7592 9.7592 10.4361 10.4361 10.7678 10.7678 11.3189 11.3189 k = 0.5000 0.2887 0.0786 ( 13736 PWs) bands (ev): -13.0775 -13.0775 -6.6892 -6.6892 -6.2432 -6.2432 -1.9012 -1.9012 -0.6146 -0.6146 -0.4835 -0.4835 0.7022 0.7022 1.1435 1.1435 1.2809 1.2809 1.7598 1.7598 2.1978 2.1978 2.2878 2.2878 2.4925 2.4925 2.7859 2.7859 3.3060 3.3060 3.4347 3.4347 3.7517 3.7517 3.8633 3.8633 4.0296 4.0296 4.3193 4.3193 4.4069 4.4069 4.5789 4.5789 4.7957 4.7957 5.3865 5.3865 5.5860 5.5860 6.0270 6.0270 6.2606 6.2606 8.7495 8.7495 9.7427 9.7427 10.4250 10.4250 10.8179 10.8179 11.3120 11.3120 k = 0.5000 0.2887 0.0590 ( 13742 PWs) bands (ev): -13.0777 -13.0777 -6.6905 -6.6905 -6.2428 -6.2428 -1.9008 -1.9008 -0.6158 -0.6158 -0.4813 -0.4813 0.7041 0.7041 1.1485 1.1485 1.2811 1.2811 1.7611 1.7611 2.1942 2.1942 2.2874 2.2874 2.4917 2.4917 2.7856 2.7856 3.3056 3.3056 3.4339 3.4339 3.7567 3.7567 3.8550 3.8550 4.0294 4.0294 4.3210 4.3210 4.4072 4.4072 4.5800 4.5800 4.7987 4.7987 5.3880 5.3880 5.5908 5.5908 6.0302 6.0302 6.2611 6.2611 8.7246 8.7246 9.7296 9.7296 10.4159 10.4159 10.8626 10.8626 11.3065 11.3065 k = 0.5000 0.2887 0.0393 ( 13738 PWs) bands (ev): -13.0778 -13.0778 -6.6914 -6.6914 -6.2425 -6.2425 -1.9004 -1.9004 -0.6167 -0.6167 -0.4797 -0.4797 0.7055 0.7055 1.1522 1.1522 1.2812 1.2812 1.7621 1.7621 2.1916 2.1916 2.2871 2.2871 2.4910 2.4910 2.7853 2.7853 3.3053 3.3053 3.4332 3.4332 3.7609 3.7609 3.8484 3.8484 4.0293 4.0293 4.3222 4.3222 4.4075 4.4075 4.5808 4.5808 4.8009 4.8009 5.3889 5.3889 5.5942 5.5942 6.0325 6.0325 6.2617 6.2617 8.7065 8.7065 9.7202 9.7202 10.4091 10.4091 10.8987 10.8987 11.3022 11.3022 k = 0.5000 0.2887 0.0197 ( 13728 PWs) bands (ev): -13.0778 -13.0778 -6.6920 -6.6920 -6.2424 -6.2424 -1.9002 -1.9002 -0.6173 -0.6173 -0.4787 -0.4787 0.7063 0.7063 1.1545 1.1545 1.2812 1.2812 1.7627 1.7627 2.1900 2.1900 2.2869 2.2869 2.4906 2.4906 2.7852 2.7852 3.3051 3.3051 3.4328 3.4328 3.7638 3.7638 3.8442 3.8442 4.0292 4.0292 4.3230 4.3230 4.4076 4.4076 4.5813 4.5813 4.8023 4.8023 5.3895 5.3895 5.5963 5.5963 6.0340 6.0340 6.2621 6.2621 8.6956 8.6956 9.7145 9.7145 10.4049 10.4049 10.9226 10.9226 11.2994 11.2994 k = 0.5000 0.2887-0.0000 ( 13736 PWs) bands (ev): -13.0778 -13.0778 -6.6922 -6.6922 -6.2423 -6.2423 -1.9002 -1.9002 -0.6174 -0.6174 -0.4784 -0.4784 0.7066 0.7066 1.1553 1.1553 1.2812 1.2812 1.7629 1.7629 2.1894 2.1894 2.2869 2.2869 2.4905 2.4905 2.7852 2.7852 3.3050 3.3050 3.4327 3.4327 3.7648 3.7648 3.8427 3.8427 4.0292 4.0292 4.3232 4.3232 4.4077 4.4077 4.5815 4.5815 4.8028 4.8028 5.3897 5.3897 5.5970 5.5970 6.0345 6.0345 6.2623 6.2623 8.6919 8.6919 9.7126 9.7126 10.4035 10.4035 10.9310 10.9310 11.2984 11.2984 k = 0.3333 0.5774-0.0000 ( 13734 PWs) bands (ev): -13.0773 -13.0773 -6.4780 -6.4780 -6.4778 -6.4778 -1.8862 -1.8862 -0.5397 -0.5397 -0.4715 -0.4715 0.6185 0.6185 1.1899 1.1899 1.3670 1.3670 1.8373 1.8373 2.0199 2.0199 2.0634 2.0634 2.7330 2.7330 2.7933 2.7933 3.2835 3.2835 3.4255 3.4255 3.5776 3.5776 4.0104 4.0104 4.1922 4.1922 4.3538 4.3538 4.3631 4.3631 4.5848 4.5848 5.0099 5.0099 5.1126 5.1126 5.7015 5.7015 5.8101 5.8101 6.0361 6.0361 9.3669 9.3669 9.6507 9.6507 9.7767 9.7767 11.0637 11.0637 11.3872 11.3872 k = 0.3333 0.5774 0.0197 ( 13743 PWs) bands (ev): -13.0773 -13.0773 -6.4779 -6.4779 -6.4777 -6.4777 -1.8864 -1.8864 -0.5398 -0.5398 -0.4720 -0.4720 0.6189 0.6189 1.1897 1.1897 1.3668 1.3668 1.8371 1.8371 2.0200 2.0200 2.0634 2.0634 2.7328 2.7328 2.7934 2.7934 3.2834 3.2834 3.4258 3.4258 3.5774 3.5774 4.0106 4.0106 4.1914 4.1914 4.3538 4.3538 4.3632 4.3632 4.5850 4.5850 5.0089 5.0089 5.1131 5.1131 5.7007 5.7007 5.8103 5.8103 6.0361 6.0361 9.3690 9.3690 9.6539 9.6539 9.7798 9.7798 11.0639 11.0639 11.3830 11.3830 k = 0.3333 0.5774 0.0393 ( 13755 PWs) bands (ev): -13.0772 -13.0772 -6.4776 -6.4776 -6.4774 -6.4774 -1.8868 -1.8868 -0.5399 -0.5399 -0.4735 -0.4735 0.6201 0.6201 1.1891 1.1891 1.3662 1.3662 1.8366 1.8366 2.0204 2.0204 2.0632 2.0632 2.7322 2.7322 2.7938 2.7938 3.2833 3.2833 3.4269 3.4269 3.5771 3.5771 4.0111 4.0111 4.1891 4.1891 4.3536 4.3536 4.3635 4.3635 4.5859 4.5859 5.0057 5.0057 5.1145 5.1145 5.6982 5.6982 5.8110 5.8110 6.0361 6.0361 9.3751 9.3751 9.6635 9.6635 9.7892 9.7892 11.0646 11.0646 11.3706 11.3706 k = 0.3333 0.5774 0.0590 ( 13749 PWs) bands (ev): -13.0771 -13.0771 -6.4772 -6.4772 -6.4770 -6.4770 -1.8874 -1.8874 -0.5402 -0.5402 -0.4759 -0.4759 0.6222 0.6222 1.1881 1.1881 1.3651 1.3651 1.8357 1.8357 2.0209 2.0209 2.0630 2.0630 2.7312 2.7312 2.7943 2.7943 3.2830 3.2830 3.4286 3.4286 3.5764 3.5764 4.0119 4.0119 4.1854 4.1854 4.3534 4.3534 4.3640 4.3640 4.5873 4.5873 5.0005 5.0005 5.1168 5.1168 5.6941 5.6941 5.8121 5.8121 6.0360 6.0360 9.3853 9.3853 9.6793 9.6793 9.8046 9.8046 11.0657 11.0657 11.3507 11.3507 k = 0.3333 0.5774 0.0786 ( 13758 PWs) bands (ev): -13.0770 -13.0770 -6.4766 -6.4766 -6.4764 -6.4764 -1.8883 -1.8883 -0.5405 -0.5405 -0.4792 -0.4792 0.6249 0.6249 1.1868 1.1868 1.3637 1.3637 1.8344 1.8344 2.0216 2.0216 2.0627 2.0627 2.7298 2.7298 2.7952 2.7952 3.2827 3.2827 3.4310 3.4310 3.5756 3.5756 4.0130 4.0130 4.1803 4.1803 4.3530 4.3530 4.3646 4.3646 4.5892 4.5892 4.9933 4.9933 5.1199 5.1199 5.6885 5.6885 5.8137 5.8137 6.0360 6.0360 9.3993 9.3993 9.7012 9.7012 9.8259 9.8259 11.0671 11.0671 11.3244 11.3244 k = 0.3333 0.5774 0.0983 ( 13746 PWs) bands (ev): -13.0768 -13.0768 -6.4758 -6.4758 -6.4756 -6.4756 -1.8895 -1.8895 -0.5410 -0.5410 -0.4835 -0.4835 0.6285 0.6285 1.1851 1.1851 1.3619 1.3619 1.8328 1.8328 2.0225 2.0225 2.0622 2.0622 2.7281 2.7281 2.7962 2.7962 3.2823 3.2823 3.4339 3.4339 3.5745 3.5745 4.0140 4.0140 4.1742 4.1742 4.3524 4.3524 4.3654 4.3654 4.5917 4.5917 4.9843 4.9843 5.1238 5.1238 5.6815 5.6815 5.8158 5.8158 6.0360 6.0360 9.4172 9.4172 9.7290 9.7290 9.8528 9.8528 11.0684 11.0684 11.2932 11.2932 k = 0.3333 0.5774 0.1180 ( 13746 PWs) bands (ev): -13.0766 -13.0766 -6.4749 -6.4749 -6.4747 -6.4747 -1.8909 -1.8909 -0.5415 -0.5415 -0.4885 -0.4885 0.6327 0.6327 1.1831 1.1831 1.3597 1.3597 1.8309 1.8309 2.0236 2.0236 2.0617 2.0617 2.7260 2.7260 2.7974 2.7974 3.2820 3.2820 3.4374 3.4374 3.5731 3.5731 4.0150 4.0150 4.1673 4.1673 4.3517 4.3517 4.3663 4.3663 4.5947 4.5947 4.9736 4.9736 5.1283 5.1283 5.6732 5.6732 5.8183 5.8183 6.0361 6.0361 9.4386 9.4386 9.7625 9.7625 9.8850 9.8850 11.0690 11.0690 11.2590 11.2590 k = 0.3333 0.5774 0.1376 ( 13746 PWs) bands (ev): -13.0763 -13.0763 -6.4738 -6.4738 -6.4736 -6.4736 -1.8926 -1.8926 -0.5421 -0.5421 -0.4943 -0.4943 0.6375 0.6375 1.1809 1.1809 1.3572 1.3572 1.8287 1.8287 2.0247 2.0247 2.0611 2.0611 2.7236 2.7236 2.7989 2.7989 3.2818 3.2818 3.4414 3.4414 3.5716 3.5716 4.0154 4.0154 4.1599 4.1599 4.3507 4.3507 4.3674 4.3674 4.5981 4.5981 4.9615 4.9615 5.1334 5.1334 5.6638 5.6638 5.8214 5.8214 6.0363 6.0363 9.4635 9.4635 9.8012 9.8012 9.9222 9.9222 11.0671 11.0671 11.2249 11.2249 k = 0.3333 0.5774 0.1573 ( 13728 PWs) bands (ev): -13.0760 -13.0760 -6.4726 -6.4726 -6.4724 -6.4724 -1.8945 -1.8945 -0.5429 -0.5429 -0.5008 -0.5008 0.6430 0.6430 1.1784 1.1784 1.3544 1.3544 1.8262 1.8262 2.0260 2.0260 2.0604 2.0604 2.7210 2.7210 2.8005 2.8005 3.2816 3.2816 3.4458 3.4458 3.5699 3.5699 4.0151 4.0151 4.1525 4.1525 4.3495 4.3495 4.3685 4.3685 4.6020 4.6020 4.9480 4.9480 5.1388 5.1388 5.6536 5.6536 5.8249 5.8249 6.0366 6.0366 9.4914 9.4914 9.8448 9.8448 9.9637 9.9637 11.0595 11.0595 11.1954 11.1954 k = 0.3333 0.5774 0.1769 ( 13716 PWs) bands (ev): -13.0757 -13.0757 -6.4713 -6.4713 -6.4711 -6.4711 -1.8965 -1.8965 -0.5437 -0.5437 -0.5079 -0.5079 0.6490 0.6490 1.1757 1.1757 1.3514 1.3514 1.8234 1.8234 2.0273 2.0273 2.0596 2.0596 2.7181 2.7181 2.8022 2.8022 3.2817 3.2817 3.4505 3.4505 3.5680 3.5680 4.0136 4.0136 4.1455 4.1455 4.3481 4.3481 4.3697 4.3697 4.6062 4.6062 4.9334 4.9334 5.1443 5.1443 5.6426 5.6426 5.8290 5.8290 6.0371 6.0371 9.5222 9.5222 9.8927 9.8927 10.0089 10.0089 11.0414 11.0414 11.1622 11.1766 k = 0.3333 0.5774 0.1966 ( 13716 PWs) bands (ev): -13.0754 -13.0754 -6.4698 -6.4698 -6.4696 -6.4696 -1.8988 -1.8988 -0.5445 -0.5445 -0.5155 -0.5155 0.6554 0.6554 1.1729 1.1729 1.3482 1.3482 1.8204 1.8204 2.0286 2.0286 2.0587 2.0587 2.7150 2.7150 2.8041 2.8041 3.2820 3.2820 3.4555 3.4555 3.5659 3.5659 4.0103 4.0103 4.1396 4.1396 4.3464 4.3464 4.3709 4.3709 4.6108 4.6108 4.9180 4.9180 5.1500 5.1500 5.6311 5.6311 5.8335 5.8335 6.0379 6.0379 9.5554 9.5554 9.9444 9.9444 10.0570 10.0570 11.0114 11.0114 11.1172 11.1172 k = 0.3333 0.5774 0.2163 ( 13740 PWs) bands (ev): -13.0750 -13.0750 -6.4683 -6.4683 -6.4681 -6.4681 -1.9012 -1.9012 -0.5455 -0.5455 -0.5235 -0.5235 0.6622 0.6622 1.1700 1.1700 1.3448 1.3448 1.8172 1.8172 2.0299 2.0299 2.0577 2.0577 2.7118 2.7118 2.8061 2.8061 3.2826 3.2826 3.4606 3.4606 3.5637 3.5637 4.0050 4.0050 4.1351 4.1351 4.3446 4.3446 4.3721 4.3721 4.6155 4.6155 4.9019 4.9019 5.1555 5.1555 5.6193 5.6193 5.8386 5.8386 6.0389 6.0389 9.5907 9.5907 9.9991 9.9991 10.1070 10.1070 10.9738 10.9738 11.0733 11.0733 k = 0.3333 0.5774 0.2359 ( 13761 PWs) bands (ev): -13.0746 -13.0746 -6.4667 -6.4667 -6.4665 -6.4665 -1.9037 -1.9037 -0.5465 -0.5465 -0.5318 -0.5318 0.6693 0.6693 1.1671 1.1671 1.3413 1.3413 1.8138 1.8138 2.0312 2.0312 2.0566 2.0566 2.7085 2.7085 2.8082 2.8082 3.2836 3.2836 3.4659 3.4659 3.5615 3.5615 3.9974 3.9974 4.1323 4.1323 4.3426 4.3426 4.3732 4.3732 4.6205 4.6205 4.8855 4.8855 5.1608 5.1608 5.6074 5.6074 5.8441 5.8441 6.0403 6.0403 9.6277 9.6277 10.0558 10.0558 10.1576 10.1576 10.9333 10.9333 11.0321 11.0321 k = 0.3333 0.5774 0.2556 ( 13755 PWs) bands (ev): -13.0742 -13.0742 -6.4650 -6.4650 -6.4648 -6.4648 -1.9063 -1.9063 -0.5475 -0.5475 -0.5404 -0.5404 0.6766 0.6766 1.1642 1.1642 1.3377 1.3377 1.8103 1.8103 2.0324 2.0324 2.0554 2.0554 2.7051 2.7051 2.8104 2.8104 3.2849 3.2849 3.4711 3.4711 3.5591 3.5591 3.9874 3.9874 4.1314 4.1314 4.3404 4.3404 4.3743 4.3743 4.6256 4.6256 4.8689 4.8689 5.1657 5.1657 5.5955 5.5955 5.8500 5.8500 6.0420 6.0420 9.6659 9.6659 10.1133 10.1133 10.2071 10.2071 10.8934 10.8934 10.9954 10.9954 k = 0.3333 0.5774 0.2752 ( 13761 PWs) bands (ev): -13.0738 -13.0738 -6.4633 -6.4633 -6.4631 -6.4631 -1.9091 -1.9091 -0.5491 -0.5491 -0.5486 -0.5486 0.6840 0.6840 1.1613 1.1613 1.3341 1.3341 1.8066 1.8066 2.0335 2.0335 2.0542 2.0542 2.7017 2.7017 2.8126 2.8126 3.2867 3.2867 3.4764 3.4764 3.5568 3.5568 3.9755 3.9755 4.1321 4.1321 4.3380 4.3380 4.3752 4.3752 4.6307 4.6307 4.8523 4.8523 5.1700 5.1700 5.5838 5.5838 5.8564 5.8564 6.0442 6.0442 9.7049 9.7049 10.1698 10.1698 10.2531 10.2531 10.8571 10.8571 10.9657 10.9657 k = 0.3333 0.5774 0.2949 ( 13773 PWs) bands (ev): -13.0734 -13.0734 -6.4615 -6.4615 -6.4614 -6.4614 -1.9119 -1.9119 -0.5578 -0.5578 -0.5497 -0.5497 0.6915 0.6915 1.1586 1.1586 1.3304 1.3304 1.8029 1.8029 2.0346 2.0346 2.0529 2.0529 2.6983 2.6983 2.8148 2.8148 3.2889 3.2889 3.4815 3.4815 3.5544 3.5544 3.9620 3.9620 4.1342 4.1342 4.3356 4.3356 4.3760 4.3760 4.6357 4.6357 4.8360 4.8360 5.1736 5.1736 5.5725 5.5725 5.8632 5.8632 6.0467 6.0467 9.7443 9.7443 10.2228 10.2228 10.2929 10.2929 10.8274 10.8274 10.9457 10.9457 k = 0.3333 0.5774 0.3146 ( 13743 PWs) bands (ev): -13.0730 -13.0730 -6.4597 -6.4597 -6.4596 -6.4596 -1.9147 -1.9147 -0.5665 -0.5665 -0.5508 -0.5508 0.6990 0.6990 1.1560 1.1560 1.3268 1.3268 1.7990 1.7990 2.0356 2.0356 2.0516 2.0516 2.6950 2.6950 2.8170 2.8170 3.2916 3.2916 3.4865 3.4865 3.5520 3.5520 3.9472 3.9472 4.1372 4.1372 4.3331 4.3331 4.3766 4.3766 4.6407 4.6407 4.8201 4.8201 5.1765 5.1765 5.5618 5.5618 5.8702 5.8702 6.0497 6.0497 9.7834 9.7834 10.2687 10.2687 10.3234 10.3234 10.8080 10.8080 10.9386 10.9386 k = 0.3333 0.5774 0.3342 ( 13722 PWs) bands (ev): -13.0725 -13.0725 -6.4580 -6.4580 -6.4579 -6.4579 -1.9175 -1.9175 -0.5750 -0.5750 -0.5519 -0.5519 0.7063 0.7063 1.1535 1.1535 1.3233 1.3233 1.7952 1.7952 2.0365 2.0365 2.0502 2.0502 2.6917 2.6917 2.8191 2.8191 3.2947 3.2947 3.4913 3.4913 3.5496 3.5496 3.9316 3.9316 4.1410 4.1410 4.3305 4.3305 4.3769 4.3769 4.6456 4.6456 4.8048 4.8048 5.1785 5.1785 5.5518 5.5518 5.8775 5.8775 6.0531 6.0531 9.8220 9.8220 10.3034 10.3034 10.3420 10.3420 10.8032 10.8032 10.9467 10.9467 k = 0.3333 0.5774 0.3539 ( 13710 PWs) bands (ev): -13.0721 -13.0721 -6.4562 -6.4562 -6.4561 -6.4561 -1.9203 -1.9203 -0.5833 -0.5833 -0.5530 -0.5530 0.7135 0.7135 1.1513 1.1513 1.3199 1.3199 1.7914 1.7914 2.0373 2.0373 2.0488 2.0488 2.6885 2.6885 2.8212 2.8212 3.2983 3.2983 3.4958 3.4958 3.5473 3.5473 3.9155 3.9155 4.1453 4.1453 4.3279 4.3279 4.3771 4.3771 4.6502 4.6502 4.7902 4.7902 5.1797 5.1797 5.5424 5.5424 5.8849 5.8849 6.0568 6.0568 9.8594 9.8594 10.3235 10.3235 10.3479 10.3479 10.8164 10.8164 10.9708 10.9708 k = 0.3333 0.5774 0.3735 ( 13716 PWs) bands (ev): -13.0717 -13.0717 -6.4546 -6.4546 -6.4545 -6.4545 -1.9231 -1.9231 -0.5914 -0.5914 -0.5541 -0.5541 0.7204 0.7204 1.1493 1.1493 1.3166 1.3166 1.7876 1.7876 2.0380 2.0380 2.0474 2.0474 2.6855 2.6855 2.8232 2.8232 3.3023 3.3023 3.5000 3.5000 3.5450 3.5450 3.8992 3.8992 4.1499 4.1499 4.3254 4.3254 4.3771 4.3771 4.6547 4.6547 4.7766 4.7766 5.1800 5.1800 5.5340 5.5340 5.8924 5.8924 6.0609 6.0609 9.8955 9.8955 10.3285 10.3285 10.3427 10.3427 10.8478 10.8478 11.0093 11.0093 k = 0.3333 0.5774 0.3932 ( 13719 PWs) bands (ev): -13.0713 -13.0713 -6.4529 -6.4529 -6.4528 -6.4528 -1.9257 -1.9257 -0.5990 -0.5990 -0.5552 -0.5552 0.7269 0.7269 1.1475 1.1475 1.3135 1.3135 1.7839 1.7839 2.0385 2.0385 2.0460 2.0460 2.6826 2.6826 2.8250 2.8250 3.3067 3.3067 3.5039 3.5039 3.5428 3.5428 3.8830 3.8830 4.1547 4.1547 4.3229 4.3229 4.3768 4.3768 4.6588 4.6588 4.7639 4.7639 5.1795 5.1795 5.5264 5.5264 5.8999 5.8999 6.0652 6.0652 9.9296 9.9296 10.3211 10.3211 10.3290 10.3290 10.8946 10.8946 11.0591 11.0591 k = 0.3333 0.5774 0.4129 ( 13731 PWs) bands (ev): -13.0710 -13.0710 -6.4514 -6.4514 -6.4513 -6.4513 -1.9283 -1.9283 -0.6062 -0.6062 -0.5562 -0.5562 0.7331 0.7331 1.1460 1.1460 1.3105 1.3105 1.7803 1.7803 2.0390 2.0390 2.0447 2.0447 2.6799 2.6799 2.8268 2.8268 3.3114 3.3114 3.5075 3.5075 3.5407 3.5407 3.8671 3.8671 4.1594 4.1594 4.3204 4.3204 4.3763 4.3763 4.6627 4.6627 4.7523 4.7523 5.1783 5.1783 5.5197 5.5197 5.9072 5.9072 6.0696 6.0696 9.9617 9.9617 10.3056 10.3056 10.3099 10.3099 10.9522 10.9522 11.1169 11.1169 k = 0.3333 0.5774 0.4325 ( 13740 PWs) bands (ev): -13.0706 -13.0706 -6.4499 -6.4499 -6.4498 -6.4498 -1.9307 -1.9307 -0.6130 -0.6130 -0.5572 -0.5572 0.7388 0.7388 1.1447 1.1447 1.3078 1.3078 1.7769 1.7769 2.0394 2.0394 2.0434 2.0434 2.6775 2.6775 2.8284 2.8284 3.3163 3.3163 3.5107 3.5107 3.5386 3.5386 3.8519 3.8519 4.1640 4.1640 4.3181 4.3181 4.3757 4.3757 4.6662 4.6662 4.7417 4.7417 5.1764 5.1764 5.5138 5.5138 5.9143 5.9143 6.0741 6.0741 9.9913 9.9913 10.2856 10.2856 10.2879 10.2879 11.0163 11.0163 11.1798 11.1798 k = 0.3333 0.5774 0.4522 ( 13746 PWs) bands (ev): -13.0703 -13.0703 -6.4486 -6.4486 -6.4485 -6.4485 -1.9329 -1.9329 -0.6191 -0.6191 -0.5581 -0.5581 0.7440 0.7440 1.1436 1.1436 1.3053 1.3053 1.7737 1.7737 2.0398 2.0398 2.0422 2.0422 2.6752 2.6752 2.8299 2.8299 3.3213 3.3213 3.5136 3.5136 3.5366 3.5366 3.8374 3.8374 4.1684 4.1684 4.3160 4.3160 4.3749 4.3749 4.6693 4.6693 4.7324 4.7324 5.1742 5.1742 5.5088 5.5088 5.9211 5.9211 6.0786 6.0786 10.0182 10.0182 10.2639 10.2639 10.2649 10.2649 11.0838 11.0838 11.2452 11.2452 k = 0.3333 0.5774 0.4718 ( 13767 PWs) bands (ev): -13.0700 -13.0700 -6.4473 -6.4473 -6.4473 -6.4473 -1.9350 -1.9350 -0.6247 -0.6247 -0.5589 -0.5589 0.7486 0.7486 1.1428 1.1428 1.3031 1.3031 1.7707 1.7707 2.0400 2.0400 2.0411 2.0411 2.6732 2.6732 2.8312 2.8312 3.3263 3.3263 3.5161 3.5161 3.5347 3.5347 3.8240 3.8240 4.1725 4.1725 4.3140 4.3140 4.3740 4.3740 4.6721 4.6721 4.7241 4.7241 5.1716 5.1716 5.5046 5.5046 5.9274 5.9274 6.0829 6.0829 10.0421 10.0421 10.2423 10.2423 10.2424 10.2424 11.1518 11.1518 11.3111 11.3111 k = 0.3333 0.5774 0.4915 ( 13770 PWs) bands (ev): -13.0698 -13.0698 -6.4462 -6.4462 -6.4462 -6.4462 -1.9368 -1.9368 -0.6296 -0.6296 -0.5596 -0.5596 0.7527 0.7527 1.1421 1.1421 1.3011 1.3011 1.7681 1.7681 2.0401 2.0401 2.0402 2.0402 2.6714 2.6714 2.8323 2.8323 3.3312 3.3312 3.5183 3.5183 3.5329 3.5329 3.8118 3.8118 4.1763 4.1763 4.3122 4.3122 4.3732 4.3732 4.6746 4.6746 4.7171 4.7171 5.1689 5.1689 5.5011 5.5011 5.9331 5.9331 6.0869 6.0869 10.0630 10.0630 10.2213 10.2213 10.2225 10.2225 11.2182 11.2182 11.3753 11.3753 k = 0.3333 0.5774 0.5112 ( 13752 PWs) bands (ev): -13.0695 -13.0695 -6.4453 -6.4453 -6.4452 -6.4452 -1.9383 -1.9383 -0.6338 -0.6338 -0.5603 -0.5603 0.7562 0.7562 1.1417 1.1417 1.2995 1.2995 1.7658 1.7658 2.0392 2.0392 2.0404 2.0404 2.6699 2.6699 2.8333 2.8333 3.3358 3.3358 3.5201 3.5201 3.5313 3.5313 3.8011 3.8011 4.1795 4.1795 4.3106 4.3106 4.3723 4.3723 4.6766 4.6766 4.7111 4.7111 5.1663 5.1663 5.4983 5.4983 5.9381 5.9381 6.0905 6.0905 10.0804 10.0804 10.2025 10.2025 10.2049 10.2049 11.2807 11.2807 11.4358 11.4358 k = 0.3333 0.5774 0.5308 ( 13758 PWs) bands (ev): -13.0694 -13.0694 -6.4445 -6.4445 -6.4445 -6.4445 -1.9397 -1.9397 -0.6373 -0.6373 -0.5608 -0.5608 0.7590 0.7590 1.1413 1.1413 1.2981 1.2981 1.7638 1.7638 2.0384 2.0384 2.0405 2.0405 2.6687 2.6687 2.8341 2.8341 3.3399 3.3399 3.5216 3.5216 3.5298 3.5298 3.7921 3.7921 4.1823 4.1823 4.3093 4.3093 4.3715 4.3715 4.6783 4.6783 4.7063 4.7063 5.1639 5.1639 5.4961 5.4961 5.9423 5.9423 6.0936 6.0936 10.0943 10.0943 10.1865 10.1865 10.1905 10.1905 11.3369 11.3369 11.4905 11.4905 k = 0.3333 0.5774 0.5505 ( 13764 PWs) bands (ev): -13.0692 -13.0692 -6.4439 -6.4439 -6.4439 -6.4439 -1.9407 -1.9407 -0.6400 -0.6400 -0.5612 -0.5612 0.7613 0.7613 1.1411 1.1411 1.2970 1.2970 1.7623 1.7623 2.0378 2.0378 2.0406 2.0406 2.6677 2.6677 2.8347 2.8347 3.3433 3.3433 3.5227 3.5227 3.5286 3.5286 3.7848 3.7848 4.1845 4.1845 4.3082 4.3082 4.3708 4.3708 4.6796 4.6796 4.7026 4.7026 5.1619 5.1619 5.4945 5.4945 5.9457 5.9457 6.0961 6.0961 10.1043 10.1043 10.1736 10.1736 10.1797 10.1797 11.3845 11.3845 11.5369 11.5369 k = 0.3333 0.5774 0.5701 ( 13746 PWs) bands (ev): -13.0691 -13.0691 -6.4434 -6.4434 -6.4434 -6.4434 -1.9414 -1.9414 -0.6420 -0.6420 -0.5615 -0.5615 0.7629 0.7629 1.1409 1.1409 1.2962 1.2962 1.7612 1.7612 2.0374 2.0374 2.0406 2.0406 2.6670 2.6670 2.8352 2.8352 3.3459 3.3459 3.5235 3.5235 3.5277 3.5277 3.7796 3.7796 4.1862 4.1862 4.3074 4.3074 4.3703 4.3703 4.6806 4.6806 4.7000 4.7000 5.1604 5.1604 5.4933 5.4933 5.9482 5.9482 6.0980 6.0980 10.1107 10.1107 10.1642 10.1642 10.1727 10.1727 11.4209 11.4209 11.5726 11.5726 k = 0.3333 0.5774 0.5898 ( 13758 PWs) bands (ev): -13.0690 -13.0690 -6.4432 -6.4432 -6.4431 -6.4431 -1.9419 -1.9419 -0.6432 -0.6432 -0.5617 -0.5617 0.7639 0.7639 1.1409 1.1409 1.2957 1.2957 1.7605 1.7605 2.0371 2.0371 2.0407 2.0407 2.6666 2.6666 2.8355 2.8355 3.3475 3.3475 3.5240 3.5240 3.5271 3.5271 3.7764 3.7764 4.1871 4.1871 4.3070 4.3070 4.3700 4.3700 4.6811 4.6811 4.6984 4.6984 5.1594 5.1594 5.4927 5.4927 5.9497 5.9497 6.0991 6.0991 10.1139 10.1139 10.1586 10.1586 10.1691 10.1691 11.4438 11.4438 11.5952 11.5952 k = 0.3333 0.5774 0.6094 ( 13764 PWs) bands (ev): -13.0690 -13.0690 -6.4431 -6.4431 -6.4430 -6.4430 -1.9420 -1.9420 -0.6436 -0.6436 -0.5618 -0.5618 0.7642 0.7642 1.1408 1.1408 1.2956 1.2956 1.7603 1.7603 2.0370 2.0370 2.0407 2.0407 2.6664 2.6664 2.8355 2.8355 3.3481 3.3481 3.5242 3.5242 3.5269 3.5269 3.7753 3.7753 4.1875 4.1875 4.3068 4.3068 4.3698 4.3698 4.6813 4.6813 4.6979 4.6979 5.1591 5.1591 5.4925 5.4925 5.9502 5.9502 6.0995 6.0995 10.1148 10.1148 10.1566 10.1566 10.1681 10.1681 11.4517 11.4517 11.6029 11.6029 Writing output data file CsAu3S2.save init_run : 0.64s CPU 0.89s WALL ( 1 calls) electrons : 514.59s CPU 518.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 514.58s CPU 518.66s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.21s CPU 0.30s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.29s CPU 0.26s WALL ( 264 calls) cegterg : 475.47s CPU 478.81s WALL ( 524 calls) Called by sum_band: Called by *egterg: h_psi : 320.06s CPU 322.46s WALL ( 8389 calls) s_psi : 20.52s CPU 20.50s WALL ( 8389 calls) g_psi : 1.20s CPU 1.10s WALL ( 7601 calls) cdiaghg : 85.28s CPU 86.29s WALL ( 7865 calls) cegterg:over : 27.45s CPU 27.16s WALL ( 7601 calls) cegterg:upda : 26.80s CPU 27.15s WALL ( 7601 calls) cegterg:last : 14.50s CPU 14.51s WALL ( 1497 calls) cdiaghg:chol : 4.76s CPU 5.06s WALL ( 7865 calls) cdiaghg:inve : 3.54s CPU 3.57s WALL ( 7865 calls) cdiaghg:para : 6.32s CPU 6.19s WALL ( 15730 calls) Called by h_psi: h_psi:vloc : 270.65s CPU 272.78s WALL ( 8389 calls) h_psi:vnl : 48.30s CPU 48.63s WALL ( 8389 calls) add_vuspsi : 27.27s CPU 27.46s WALL ( 8389 calls) General routines calbec : 20.98s CPU 21.15s WALL ( 8389 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 254.43s CPU 256.02s WALL ( 1112176 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.26s CPU 0.33s WALL ( 528 calls) Parallel routines fft_scatter : 75.66s CPU 76.58s WALL ( 1112199 calls) PWSCF : 9m10.11s CPU 9m36.74s WALL This run was terminated on: 13:36:57 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=