Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:32:15 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: ./YAl3.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 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 69 41 12 2049 958 152 Max 70 42 13 2052 974 155 Sum 2515 1507 439 73851 34685 5497 bravais-lattice index = 14 lattice parameter (alat) = 11.8599 a.u. unit-cell volume = 1054.7465 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 39.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.859920 celldm(2)= 1.000000 celldm(3)= 0.730083 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 0.730083 ) 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 1.369708 ) PseudoPot. # 1 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 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 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Al 3.00 26.98150 Al( 1.00) Y 11.00 88.90590 Y( 1.00) 12 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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= 274 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0172414 0.0099543 -0.0000000), wk = 0.0036496 k( 3) = ( 0.0344828 0.0199086 -0.0000000), wk = 0.0036496 k( 4) = ( 0.0517241 0.0298629 -0.0000000), wk = 0.0036496 k( 5) = ( 0.0689655 0.0398173 -0.0000000), wk = 0.0036496 k( 6) = ( 0.0862069 0.0497716 -0.0000000), wk = 0.0036496 k( 7) = ( 0.1034483 0.0597259 -0.0000000), wk = 0.0036496 k( 8) = ( 0.1206897 0.0696802 -0.0000000), wk = 0.0036496 k( 9) = ( 0.1379310 0.0796345 -0.0000000), wk = 0.0036496 k( 10) = ( 0.1551724 0.0895888 -0.0000000), wk = 0.0036496 k( 11) = ( 0.1724138 0.0995431 -0.0000000), wk = 0.0036496 k( 12) = ( 0.1896552 0.1094975 -0.0000000), wk = 0.0036496 k( 13) = ( 0.2068966 0.1194518 -0.0000000), wk = 0.0036496 k( 14) = ( 0.2241379 0.1294061 -0.0000000), wk = 0.0036496 k( 15) = ( 0.2413793 0.1393604 -0.0000000), wk = 0.0036496 k( 16) = ( 0.2586207 0.1493147 -0.0000000), wk = 0.0036496 k( 17) = ( 0.2758621 0.1592690 -0.0000000), wk = 0.0036496 k( 18) = ( 0.2931034 0.1692234 -0.0000000), wk = 0.0036496 k( 19) = ( 0.3103448 0.1791777 -0.0000000), wk = 0.0036496 k( 20) = ( 0.3275862 0.1891320 -0.0000000), wk = 0.0036496 k( 21) = ( 0.3448276 0.1990863 -0.0000000), wk = 0.0036496 k( 22) = ( 0.3620690 0.2090406 -0.0000000), wk = 0.0036496 k( 23) = ( 0.3793103 0.2189949 -0.0000000), wk = 0.0036496 k( 24) = ( 0.3965517 0.2289492 -0.0000000), wk = 0.0036496 k( 25) = ( 0.4137931 0.2389036 -0.0000000), wk = 0.0036496 k( 26) = ( 0.4310345 0.2488579 -0.0000000), wk = 0.0036496 k( 27) = ( 0.4482759 0.2588122 -0.0000000), wk = 0.0036496 k( 28) = ( 0.4655172 0.2687665 -0.0000000), wk = 0.0036496 k( 29) = ( 0.4827586 0.2787208 -0.0000000), wk = 0.0036496 k( 30) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036496 k( 31) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036496 k( 32) = ( 0.4901961 0.3056560 -0.0000000), wk = 0.0036496 k( 33) = ( 0.4803922 0.3226369 -0.0000000), wk = 0.0036496 k( 34) = ( 0.4705882 0.3396178 -0.0000000), wk = 0.0036496 k( 35) = ( 0.4607843 0.3565987 -0.0000000), wk = 0.0036496 k( 36) = ( 0.4509804 0.3735796 -0.0000000), wk = 0.0036496 k( 37) = ( 0.4411765 0.3905605 -0.0000000), wk = 0.0036496 k( 38) = ( 0.4313726 0.4075414 -0.0000000), wk = 0.0036496 k( 39) = ( 0.4215686 0.4245223 -0.0000000), wk = 0.0036496 k( 40) = ( 0.4117647 0.4415032 -0.0000000), wk = 0.0036496 k( 41) = ( 0.4019608 0.4584840 -0.0000000), wk = 0.0036496 k( 42) = ( 0.3921569 0.4754649 -0.0000000), wk = 0.0036496 k( 43) = ( 0.3823529 0.4924458 -0.0000000), wk = 0.0036496 k( 44) = ( 0.3725490 0.5094267 -0.0000000), wk = 0.0036496 k( 45) = ( 0.3627451 0.5264076 -0.0000000), wk = 0.0036496 k( 46) = ( 0.3529412 0.5433885 -0.0000000), wk = 0.0036496 k( 47) = ( 0.3431373 0.5603694 -0.0000000), wk = 0.0036496 k( 48) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036496 k( 49) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036496 k( 50) = ( 0.3235294 0.5603694 -0.0000000), wk = 0.0036496 k( 51) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0036496 k( 52) = ( 0.3039216 0.5264076 -0.0000000), wk = 0.0036496 k( 53) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0036496 k( 54) = ( 0.2843137 0.4924458 -0.0000000), wk = 0.0036496 k( 55) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0036496 k( 56) = ( 0.2647059 0.4584840 -0.0000000), wk = 0.0036496 k( 57) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0036496 k( 58) = ( 0.2450980 0.4245223 -0.0000000), wk = 0.0036496 k( 59) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0036496 k( 60) = ( 0.2254902 0.3905605 -0.0000000), wk = 0.0036496 k( 61) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0036496 k( 62) = ( 0.2058823 0.3565987 -0.0000000), wk = 0.0036496 k( 63) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0036496 k( 64) = ( 0.1862745 0.3226369 -0.0000000), wk = 0.0036496 k( 65) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0036496 k( 66) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0036496 k( 67) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0036496 k( 68) = ( 0.1470588 0.2547133 -0.0000000), wk = 0.0036496 k( 69) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0036496 k( 70) = ( 0.1274510 0.2207516 -0.0000000), wk = 0.0036496 k( 71) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0036496 k( 72) = ( 0.1078431 0.1867898 -0.0000000), wk = 0.0036496 k( 73) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0036496 k( 74) = ( 0.0882353 0.1528280 -0.0000000), wk = 0.0036496 k( 75) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0036496 k( 76) = ( 0.0686275 0.1188662 -0.0000000), wk = 0.0036496 k( 77) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0036496 k( 78) = ( 0.0490196 0.0849045 -0.0000000), wk = 0.0036496 k( 79) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0036496 k( 80) = ( 0.0294118 0.0509427 -0.0000000), wk = 0.0036496 k( 81) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0036496 k( 82) = ( 0.0098039 0.0169809 -0.0000000), wk = 0.0036496 k( 83) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 84) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 85) = ( 0.0000000 0.0000000 0.0195672), wk = 0.0036496 k( 86) = ( 0.0000000 0.0000000 0.0391345), wk = 0.0036496 k( 87) = ( 0.0000000 0.0000000 0.0587017), wk = 0.0036496 k( 88) = ( 0.0000000 0.0000000 0.0782690), wk = 0.0036496 k( 89) = ( 0.0000000 0.0000000 0.0978363), wk = 0.0036496 k( 90) = ( 0.0000000 0.0000000 0.1174035), wk = 0.0036496 k( 91) = ( 0.0000000 0.0000000 0.1369708), wk = 0.0036496 k( 92) = ( 0.0000000 0.0000000 0.1565380), wk = 0.0036496 k( 93) = ( 0.0000000 0.0000000 0.1761053), wk = 0.0036496 k( 94) = ( 0.0000000 0.0000000 0.1956725), wk = 0.0036496 k( 95) = ( 0.0000000 0.0000000 0.2152398), wk = 0.0036496 k( 96) = ( 0.0000000 0.0000000 0.2348070), wk = 0.0036496 k( 97) = ( 0.0000000 0.0000000 0.2543743), wk = 0.0036496 k( 98) = ( 0.0000000 0.0000000 0.2739415), wk = 0.0036496 k( 99) = ( 0.0000000 0.0000000 0.2935088), wk = 0.0036496 k( 100) = ( 0.0000000 0.0000000 0.3130760), wk = 0.0036496 k( 101) = ( 0.0000000 0.0000000 0.3326433), wk = 0.0036496 k( 102) = ( 0.0000000 0.0000000 0.3522105), wk = 0.0036496 k( 103) = ( 0.0000000 0.0000000 0.3717778), wk = 0.0036496 k( 104) = ( 0.0000000 0.0000000 0.3913450), wk = 0.0036496 k( 105) = ( 0.0000000 0.0000000 0.4109123), wk = 0.0036496 k( 106) = ( 0.0000000 0.0000000 0.4304795), wk = 0.0036496 k( 107) = ( 0.0000000 0.0000000 0.4500468), wk = 0.0036496 k( 108) = ( 0.0000000 0.0000000 0.4696140), wk = 0.0036496 k( 109) = ( 0.0000000 0.0000000 0.4891813), wk = 0.0036496 k( 110) = ( 0.0000000 0.0000000 0.5087485), wk = 0.0036496 k( 111) = ( 0.0000000 0.0000000 0.5283158), wk = 0.0036496 k( 112) = ( 0.0000000 0.0000000 0.5478830), wk = 0.0036496 k( 113) = ( 0.0000000 0.0000000 0.5674503), wk = 0.0036496 k( 114) = ( 0.0000000 0.0000000 0.5870175), wk = 0.0036496 k( 115) = ( 0.0000000 0.0000000 0.6065848), wk = 0.0036496 k( 116) = ( 0.0000000 0.0000000 0.6261520), wk = 0.0036496 k( 117) = ( 0.0000000 0.0000000 0.6457193), wk = 0.0036496 k( 118) = ( 0.0000000 0.0000000 0.6652865), wk = 0.0036496 k( 119) = ( 0.0000000 0.0000000 0.6848538), wk = 0.0036496 k( 120) = ( 0.0000000 0.0000000 0.6848538), wk = 0.0036496 k( 121) = ( 0.0172414 0.0099543 0.6848538), wk = 0.0036496 k( 122) = ( 0.0344828 0.0199086 0.6848538), wk = 0.0036496 k( 123) = ( 0.0517241 0.0298629 0.6848538), wk = 0.0036496 k( 124) = ( 0.0689655 0.0398173 0.6848538), wk = 0.0036496 k( 125) = ( 0.0862069 0.0497716 0.6848538), wk = 0.0036496 k( 126) = ( 0.1034483 0.0597259 0.6848538), wk = 0.0036496 k( 127) = ( 0.1206897 0.0696802 0.6848538), wk = 0.0036496 k( 128) = ( 0.1379310 0.0796345 0.6848538), wk = 0.0036496 k( 129) = ( 0.1551724 0.0895888 0.6848538), wk = 0.0036496 k( 130) = ( 0.1724138 0.0995431 0.6848538), wk = 0.0036496 k( 131) = ( 0.1896552 0.1094975 0.6848538), wk = 0.0036496 k( 132) = ( 0.2068966 0.1194518 0.6848538), wk = 0.0036496 k( 133) = ( 0.2241379 0.1294061 0.6848538), wk = 0.0036496 k( 134) = ( 0.2413793 0.1393604 0.6848538), wk = 0.0036496 k( 135) = ( 0.2586207 0.1493147 0.6848538), wk = 0.0036496 k( 136) = ( 0.2758621 0.1592690 0.6848538), wk = 0.0036496 k( 137) = ( 0.2931034 0.1692234 0.6848538), wk = 0.0036496 k( 138) = ( 0.3103448 0.1791777 0.6848538), wk = 0.0036496 k( 139) = ( 0.3275862 0.1891320 0.6848538), wk = 0.0036496 k( 140) = ( 0.3448276 0.1990863 0.6848538), wk = 0.0036496 k( 141) = ( 0.3620690 0.2090406 0.6848538), wk = 0.0036496 k( 142) = ( 0.3793103 0.2189949 0.6848538), wk = 0.0036496 k( 143) = ( 0.3965517 0.2289492 0.6848538), wk = 0.0036496 k( 144) = ( 0.4137931 0.2389036 0.6848538), wk = 0.0036496 k( 145) = ( 0.4310345 0.2488579 0.6848538), wk = 0.0036496 k( 146) = ( 0.4482759 0.2588122 0.6848538), wk = 0.0036496 k( 147) = ( 0.4655172 0.2687665 0.6848538), wk = 0.0036496 k( 148) = ( 0.4827586 0.2787208 0.6848538), wk = 0.0036496 k( 149) = ( 0.5000000 0.2886751 0.6848538), wk = 0.0036496 k( 150) = ( 0.5000000 0.2886751 0.6848538), wk = 0.0036496 k( 151) = ( 0.4901961 0.3056560 0.6848538), wk = 0.0036496 k( 152) = ( 0.4803922 0.3226369 0.6848538), wk = 0.0036496 k( 153) = ( 0.4705882 0.3396178 0.6848538), wk = 0.0036496 k( 154) = ( 0.4607843 0.3565987 0.6848538), wk = 0.0036496 k( 155) = ( 0.4509804 0.3735796 0.6848538), wk = 0.0036496 k( 156) = ( 0.4411765 0.3905605 0.6848538), wk = 0.0036496 k( 157) = ( 0.4313726 0.4075414 0.6848538), wk = 0.0036496 k( 158) = ( 0.4215686 0.4245223 0.6848538), wk = 0.0036496 k( 159) = ( 0.4117647 0.4415032 0.6848538), wk = 0.0036496 k( 160) = ( 0.4019608 0.4584840 0.6848538), wk = 0.0036496 k( 161) = ( 0.3921569 0.4754649 0.6848538), wk = 0.0036496 k( 162) = ( 0.3823529 0.4924458 0.6848538), wk = 0.0036496 k( 163) = ( 0.3725490 0.5094267 0.6848538), wk = 0.0036496 k( 164) = ( 0.3627451 0.5264076 0.6848538), wk = 0.0036496 k( 165) = ( 0.3529412 0.5433885 0.6848538), wk = 0.0036496 k( 166) = ( 0.3431373 0.5603694 0.6848538), wk = 0.0036496 k( 167) = ( 0.3333333 0.5773503 0.6848538), wk = 0.0036496 k( 168) = ( 0.3333333 0.5773503 0.6848538), wk = 0.0036496 k( 169) = ( 0.3235294 0.5603694 0.6848538), wk = 0.0036496 k( 170) = ( 0.3137255 0.5433885 0.6848538), wk = 0.0036496 k( 171) = ( 0.3039216 0.5264076 0.6848538), wk = 0.0036496 k( 172) = ( 0.2941177 0.5094267 0.6848538), wk = 0.0036496 k( 173) = ( 0.2843137 0.4924458 0.6848538), wk = 0.0036496 k( 174) = ( 0.2745098 0.4754649 0.6848538), wk = 0.0036496 k( 175) = ( 0.2647059 0.4584840 0.6848538), wk = 0.0036496 k( 176) = ( 0.2549020 0.4415031 0.6848538), wk = 0.0036496 k( 177) = ( 0.2450980 0.4245223 0.6848538), wk = 0.0036496 k( 178) = ( 0.2352941 0.4075414 0.6848538), wk = 0.0036496 k( 179) = ( 0.2254902 0.3905605 0.6848538), wk = 0.0036496 k( 180) = ( 0.2156863 0.3735796 0.6848538), wk = 0.0036496 k( 181) = ( 0.2058823 0.3565987 0.6848538), wk = 0.0036496 k( 182) = ( 0.1960784 0.3396178 0.6848538), wk = 0.0036496 k( 183) = ( 0.1862745 0.3226369 0.6848538), wk = 0.0036496 k( 184) = ( 0.1764706 0.3056560 0.6848538), wk = 0.0036496 k( 185) = ( 0.1666667 0.2886751 0.6848538), wk = 0.0036496 k( 186) = ( 0.1568627 0.2716943 0.6848538), wk = 0.0036496 k( 187) = ( 0.1470588 0.2547133 0.6848538), wk = 0.0036496 k( 188) = ( 0.1372549 0.2377325 0.6848538), wk = 0.0036496 k( 189) = ( 0.1274510 0.2207516 0.6848538), wk = 0.0036496 k( 190) = ( 0.1176471 0.2037707 0.6848538), wk = 0.0036496 k( 191) = ( 0.1078431 0.1867898 0.6848538), wk = 0.0036496 k( 192) = ( 0.0980392 0.1698089 0.6848538), wk = 0.0036496 k( 193) = ( 0.0882353 0.1528280 0.6848538), wk = 0.0036496 k( 194) = ( 0.0784314 0.1358471 0.6848538), wk = 0.0036496 k( 195) = ( 0.0686275 0.1188662 0.6848538), wk = 0.0036496 k( 196) = ( 0.0588235 0.1018853 0.6848538), wk = 0.0036496 k( 197) = ( 0.0490196 0.0849045 0.6848538), wk = 0.0036496 k( 198) = ( 0.0392157 0.0679236 0.6848538), wk = 0.0036496 k( 199) = ( 0.0294118 0.0509427 0.6848538), wk = 0.0036496 k( 200) = ( 0.0196078 0.0339618 0.6848538), wk = 0.0036496 k( 201) = ( 0.0098039 0.0169809 0.6848538), wk = 0.0036496 k( 202) = ( 0.0000000 0.0000000 0.6848538), wk = 0.0036496 k( 203) = ( 0.5000000 0.2886751 0.6848538), wk = 0.0036496 k( 204) = ( 0.5000000 0.2886751 0.6652865), wk = 0.0036496 k( 205) = ( 0.5000000 0.2886751 0.6457193), wk = 0.0036496 k( 206) = ( 0.5000000 0.2886751 0.6261520), wk = 0.0036496 k( 207) = ( 0.5000000 0.2886751 0.6065848), wk = 0.0036496 k( 208) = ( 0.5000000 0.2886751 0.5870175), wk = 0.0036496 k( 209) = ( 0.5000000 0.2886751 0.5674503), wk = 0.0036496 k( 210) = ( 0.5000000 0.2886751 0.5478830), wk = 0.0036496 k( 211) = ( 0.5000000 0.2886751 0.5283158), wk = 0.0036496 k( 212) = ( 0.5000000 0.2886751 0.5087485), wk = 0.0036496 k( 213) = ( 0.5000000 0.2886751 0.4891813), wk = 0.0036496 k( 214) = ( 0.5000000 0.2886751 0.4696140), wk = 0.0036496 k( 215) = ( 0.5000000 0.2886751 0.4500468), wk = 0.0036496 k( 216) = ( 0.5000000 0.2886751 0.4304795), wk = 0.0036496 k( 217) = ( 0.5000000 0.2886751 0.4109123), wk = 0.0036496 k( 218) = ( 0.5000000 0.2886751 0.3913450), wk = 0.0036496 k( 219) = ( 0.5000000 0.2886751 0.3717778), wk = 0.0036496 k( 220) = ( 0.5000000 0.2886751 0.3522105), wk = 0.0036496 k( 221) = ( 0.5000000 0.2886751 0.3326433), wk = 0.0036496 k( 222) = ( 0.5000000 0.2886751 0.3130760), wk = 0.0036496 k( 223) = ( 0.5000000 0.2886751 0.2935088), wk = 0.0036496 k( 224) = ( 0.5000000 0.2886751 0.2739415), wk = 0.0036496 k( 225) = ( 0.5000000 0.2886751 0.2543743), wk = 0.0036496 k( 226) = ( 0.5000000 0.2886751 0.2348070), wk = 0.0036496 k( 227) = ( 0.5000000 0.2886751 0.2152398), wk = 0.0036496 k( 228) = ( 0.5000000 0.2886751 0.1956725), wk = 0.0036496 k( 229) = ( 0.5000000 0.2886751 0.1761053), wk = 0.0036496 k( 230) = ( 0.5000000 0.2886751 0.1565380), wk = 0.0036496 k( 231) = ( 0.5000000 0.2886751 0.1369708), wk = 0.0036496 k( 232) = ( 0.5000000 0.2886751 0.1174035), wk = 0.0036496 k( 233) = ( 0.5000000 0.2886751 0.0978363), wk = 0.0036496 k( 234) = ( 0.5000000 0.2886751 0.0782690), wk = 0.0036496 k( 235) = ( 0.5000000 0.2886751 0.0587017), wk = 0.0036496 k( 236) = ( 0.5000000 0.2886751 0.0391345), wk = 0.0036496 k( 237) = ( 0.5000000 0.2886751 0.0195672), wk = 0.0036496 k( 238) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036496 k( 239) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036496 k( 240) = ( 0.3333333 0.5773503 0.0195672), wk = 0.0036496 k( 241) = ( 0.3333333 0.5773503 0.0391345), wk = 0.0036496 k( 242) = ( 0.3333333 0.5773503 0.0587017), wk = 0.0036496 k( 243) = ( 0.3333333 0.5773503 0.0782690), wk = 0.0036496 k( 244) = ( 0.3333333 0.5773503 0.0978363), wk = 0.0036496 k( 245) = ( 0.3333333 0.5773503 0.1174035), wk = 0.0036496 k( 246) = ( 0.3333333 0.5773503 0.1369708), wk = 0.0036496 k( 247) = ( 0.3333333 0.5773503 0.1565380), wk = 0.0036496 k( 248) = ( 0.3333333 0.5773503 0.1761053), wk = 0.0036496 k( 249) = ( 0.3333333 0.5773503 0.1956725), wk = 0.0036496 k( 250) = ( 0.3333333 0.5773503 0.2152398), wk = 0.0036496 k( 251) = ( 0.3333333 0.5773503 0.2348070), wk = 0.0036496 k( 252) = ( 0.3333333 0.5773503 0.2543743), wk = 0.0036496 k( 253) = ( 0.3333333 0.5773503 0.2739415), wk = 0.0036496 k( 254) = ( 0.3333333 0.5773503 0.2935088), wk = 0.0036496 k( 255) = ( 0.3333333 0.5773503 0.3130760), wk = 0.0036496 k( 256) = ( 0.3333333 0.5773503 0.3326433), wk = 0.0036496 k( 257) = ( 0.3333333 0.5773503 0.3522105), wk = 0.0036496 k( 258) = ( 0.3333333 0.5773503 0.3717778), wk = 0.0036496 k( 259) = ( 0.3333333 0.5773503 0.3913450), wk = 0.0036496 k( 260) = ( 0.3333333 0.5773503 0.4109123), wk = 0.0036496 k( 261) = ( 0.3333333 0.5773503 0.4304795), wk = 0.0036496 k( 262) = ( 0.3333333 0.5773503 0.4500468), wk = 0.0036496 k( 263) = ( 0.3333333 0.5773503 0.4696140), wk = 0.0036496 k( 264) = ( 0.3333333 0.5773503 0.4891813), wk = 0.0036496 k( 265) = ( 0.3333333 0.5773503 0.5087485), wk = 0.0036496 k( 266) = ( 0.3333333 0.5773503 0.5283158), wk = 0.0036496 k( 267) = ( 0.3333333 0.5773503 0.5478830), wk = 0.0036496 k( 268) = ( 0.3333333 0.5773503 0.5674503), wk = 0.0036496 k( 269) = ( 0.3333333 0.5773503 0.5870175), wk = 0.0036496 k( 270) = ( 0.3333333 0.5773503 0.6065848), wk = 0.0036496 k( 271) = ( 0.3333333 0.5773503 0.6261520), wk = 0.0036496 k( 272) = ( 0.3333333 0.5773503 0.6457193), wk = 0.0036496 k( 273) = ( 0.3333333 0.5773503 0.6652865), wk = 0.0036496 k( 274) = ( 0.3333333 0.5773503 0.6848538), wk = 0.0036496 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0172414 0.0000000 -0.0000000), wk = 0.0036496 k( 3) = ( 0.0344828 0.0000000 -0.0000000), wk = 0.0036496 k( 4) = ( 0.0517241 -0.0000000 -0.0000000), wk = 0.0036496 k( 5) = ( 0.0689655 0.0000000 -0.0000000), wk = 0.0036496 k( 6) = ( 0.0862069 -0.0000000 0.0000000), wk = 0.0036496 k( 7) = ( 0.1034483 -0.0000000 -0.0000000), wk = 0.0036496 k( 8) = ( 0.1206897 -0.0000000 -0.0000000), wk = 0.0036496 k( 9) = ( 0.1379310 0.0000000 -0.0000000), wk = 0.0036496 k( 10) = ( 0.1551724 -0.0000000 -0.0000000), wk = 0.0036496 k( 11) = ( 0.1724138 -0.0000000 0.0000000), wk = 0.0036496 k( 12) = ( 0.1896552 0.0000000 0.0000000), wk = 0.0036496 k( 13) = ( 0.2068966 -0.0000000 -0.0000000), wk = 0.0036496 k( 14) = ( 0.2241379 -0.0000000 -0.0000000), wk = 0.0036496 k( 15) = ( 0.2413793 -0.0000000 -0.0000000), wk = 0.0036496 k( 16) = ( 0.2586207 0.0000000 -0.0000000), wk = 0.0036496 k( 17) = ( 0.2758621 -0.0000000 -0.0000000), wk = 0.0036496 k( 18) = ( 0.2931034 -0.0000000 -0.0000000), wk = 0.0036496 k( 19) = ( 0.3103448 0.0000000 -0.0000000), wk = 0.0036496 k( 20) = ( 0.3275862 -0.0000000 -0.0000000), wk = 0.0036496 k( 21) = ( 0.3448276 -0.0000000 -0.0000000), wk = 0.0036496 k( 22) = ( 0.3620690 -0.0000000 0.0000000), wk = 0.0036496 k( 23) = ( 0.3793103 0.0000000 0.0000000), wk = 0.0036496 k( 24) = ( 0.3965517 -0.0000000 -0.0000000), wk = 0.0036496 k( 25) = ( 0.4137931 -0.0000000 -0.0000000), wk = 0.0036496 k( 26) = ( 0.4310345 -0.0000000 0.0000000), wk = 0.0036496 k( 27) = ( 0.4482759 -0.0000000 -0.0000000), wk = 0.0036496 k( 28) = ( 0.4655172 -0.0000000 -0.0000000), wk = 0.0036496 k( 29) = ( 0.4827586 -0.0000000 -0.0000000), wk = 0.0036496 k( 30) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0036496 k( 31) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0036496 k( 32) = ( 0.4901961 0.0196078 0.0000000), wk = 0.0036496 k( 33) = ( 0.4803922 0.0392157 -0.0000000), wk = 0.0036496 k( 34) = ( 0.4705882 0.0588235 -0.0000000), wk = 0.0036496 k( 35) = ( 0.4607843 0.0784314 -0.0000000), wk = 0.0036496 k( 36) = ( 0.4509804 0.0980392 -0.0000000), wk = 0.0036496 k( 37) = ( 0.4411765 0.1176471 -0.0000000), wk = 0.0036496 k( 38) = ( 0.4313726 0.1372549 -0.0000000), wk = 0.0036496 k( 39) = ( 0.4215686 0.1568627 -0.0000000), wk = 0.0036496 k( 40) = ( 0.4117647 0.1764706 -0.0000000), wk = 0.0036496 k( 41) = ( 0.4019608 0.1960784 -0.0000000), wk = 0.0036496 k( 42) = ( 0.3921569 0.2156863 -0.0000000), wk = 0.0036496 k( 43) = ( 0.3823529 0.2352941 -0.0000000), wk = 0.0036496 k( 44) = ( 0.3725490 0.2549020 0.0000000), wk = 0.0036496 k( 45) = ( 0.3627451 0.2745098 0.0000000), wk = 0.0036496 k( 46) = ( 0.3529412 0.2941177 0.0000000), wk = 0.0036496 k( 47) = ( 0.3431373 0.3137255 0.0000000), wk = 0.0036496 k( 48) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0036496 k( 49) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0036496 k( 50) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0036496 k( 51) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0036496 k( 52) = ( 0.3039216 0.3039216 -0.0000000), wk = 0.0036496 k( 53) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0036496 k( 54) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0036496 k( 55) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0036496 k( 56) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0036496 k( 57) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0036496 k( 58) = ( 0.2450980 0.2450980 0.0000000), wk = 0.0036496 k( 59) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0036496 k( 60) = ( 0.2254902 0.2254902 -0.0000000), wk = 0.0036496 k( 61) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0036496 k( 62) = ( 0.2058823 0.2058823 0.0000000), wk = 0.0036496 k( 63) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0036496 k( 64) = ( 0.1862745 0.1862745 -0.0000000), wk = 0.0036496 k( 65) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0036496 k( 66) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0036496 k( 67) = ( 0.1568627 0.1568627 0.0000000), wk = 0.0036496 k( 68) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0036496 k( 69) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0036496 k( 70) = ( 0.1274510 0.1274510 0.0000000), wk = 0.0036496 k( 71) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0036496 k( 72) = ( 0.1078431 0.1078431 0.0000000), wk = 0.0036496 k( 73) = ( 0.0980392 0.0980392 0.0000000), wk = 0.0036496 k( 74) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0036496 k( 75) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0036496 k( 76) = ( 0.0686275 0.0686275 0.0000000), wk = 0.0036496 k( 77) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0036496 k( 78) = ( 0.0490196 0.0490196 0.0000000), wk = 0.0036496 k( 79) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0036496 k( 80) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0036496 k( 81) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0036496 k( 82) = ( 0.0098039 0.0098039 -0.0000000), wk = 0.0036496 k( 83) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 84) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 85) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0036496 k( 86) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0036496 k( 87) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0036496 k( 88) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0036496 k( 89) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0036496 k( 90) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0036496 k( 91) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0036496 k( 92) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0036496 k( 93) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0036496 k( 94) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0036496 k( 95) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0036496 k( 96) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0036496 k( 97) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0036496 k( 98) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0036496 k( 99) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0036496 k( 100) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0036496 k( 101) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0036496 k( 102) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0036496 k( 103) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0036496 k( 104) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0036496 k( 105) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0036496 k( 106) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0036496 k( 107) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0036496 k( 108) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0036496 k( 109) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0036496 k( 110) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0036496 k( 111) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0036496 k( 112) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0036496 k( 113) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0036496 k( 114) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0036496 k( 115) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0036496 k( 116) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0036496 k( 117) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0036496 k( 118) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0036496 k( 119) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 120) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 121) = ( 0.0172414 0.0000000 0.5000000), wk = 0.0036496 k( 122) = ( 0.0344828 0.0000000 0.5000000), wk = 0.0036496 k( 123) = ( 0.0517241 -0.0000000 0.5000000), wk = 0.0036496 k( 124) = ( 0.0689655 0.0000000 0.5000000), wk = 0.0036496 k( 125) = ( 0.0862069 -0.0000000 0.5000000), wk = 0.0036496 k( 126) = ( 0.1034483 -0.0000000 0.5000000), wk = 0.0036496 k( 127) = ( 0.1206897 -0.0000000 0.5000000), wk = 0.0036496 k( 128) = ( 0.1379310 0.0000000 0.5000000), wk = 0.0036496 k( 129) = ( 0.1551724 -0.0000000 0.5000000), wk = 0.0036496 k( 130) = ( 0.1724138 -0.0000000 0.5000000), wk = 0.0036496 k( 131) = ( 0.1896552 0.0000000 0.5000000), wk = 0.0036496 k( 132) = ( 0.2068966 -0.0000000 0.5000000), wk = 0.0036496 k( 133) = ( 0.2241379 -0.0000000 0.5000000), wk = 0.0036496 k( 134) = ( 0.2413793 -0.0000000 0.5000000), wk = 0.0036496 k( 135) = ( 0.2586207 0.0000000 0.5000000), wk = 0.0036496 k( 136) = ( 0.2758621 -0.0000000 0.5000000), wk = 0.0036496 k( 137) = ( 0.2931034 -0.0000000 0.5000000), wk = 0.0036496 k( 138) = ( 0.3103448 0.0000000 0.5000000), wk = 0.0036496 k( 139) = ( 0.3275862 -0.0000000 0.5000000), wk = 0.0036496 k( 140) = ( 0.3448276 -0.0000000 0.5000000), wk = 0.0036496 k( 141) = ( 0.3620690 -0.0000000 0.5000000), wk = 0.0036496 k( 142) = ( 0.3793103 0.0000000 0.5000000), wk = 0.0036496 k( 143) = ( 0.3965517 -0.0000000 0.5000000), wk = 0.0036496 k( 144) = ( 0.4137931 -0.0000000 0.5000000), wk = 0.0036496 k( 145) = ( 0.4310345 -0.0000000 0.5000000), wk = 0.0036496 k( 146) = ( 0.4482759 -0.0000000 0.5000000), wk = 0.0036496 k( 147) = ( 0.4655172 -0.0000000 0.5000000), wk = 0.0036496 k( 148) = ( 0.4827586 -0.0000000 0.5000000), wk = 0.0036496 k( 149) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0036496 k( 150) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0036496 k( 151) = ( 0.4901961 0.0196078 0.5000000), wk = 0.0036496 k( 152) = ( 0.4803922 0.0392157 0.5000000), wk = 0.0036496 k( 153) = ( 0.4705882 0.0588235 0.5000000), wk = 0.0036496 k( 154) = ( 0.4607843 0.0784314 0.5000000), wk = 0.0036496 k( 155) = ( 0.4509804 0.0980392 0.5000000), wk = 0.0036496 k( 156) = ( 0.4411765 0.1176471 0.5000000), wk = 0.0036496 k( 157) = ( 0.4313726 0.1372549 0.5000000), wk = 0.0036496 k( 158) = ( 0.4215686 0.1568627 0.5000000), wk = 0.0036496 k( 159) = ( 0.4117647 0.1764706 0.5000000), wk = 0.0036496 k( 160) = ( 0.4019608 0.1960784 0.5000000), wk = 0.0036496 k( 161) = ( 0.3921569 0.2156863 0.5000000), wk = 0.0036496 k( 162) = ( 0.3823529 0.2352941 0.5000000), wk = 0.0036496 k( 163) = ( 0.3725490 0.2549020 0.5000000), wk = 0.0036496 k( 164) = ( 0.3627451 0.2745098 0.5000000), wk = 0.0036496 k( 165) = ( 0.3529412 0.2941177 0.5000000), wk = 0.0036496 k( 166) = ( 0.3431373 0.3137255 0.5000000), wk = 0.0036496 k( 167) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036496 k( 168) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036496 k( 169) = ( 0.3235294 0.3235294 0.5000000), wk = 0.0036496 k( 170) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0036496 k( 171) = ( 0.3039216 0.3039216 0.5000000), wk = 0.0036496 k( 172) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0036496 k( 173) = ( 0.2843137 0.2843137 0.5000000), wk = 0.0036496 k( 174) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0036496 k( 175) = ( 0.2647059 0.2647059 0.5000000), wk = 0.0036496 k( 176) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0036496 k( 177) = ( 0.2450980 0.2450980 0.5000000), wk = 0.0036496 k( 178) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0036496 k( 179) = ( 0.2254902 0.2254902 0.5000000), wk = 0.0036496 k( 180) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0036496 k( 181) = ( 0.2058823 0.2058823 0.5000000), wk = 0.0036496 k( 182) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0036496 k( 183) = ( 0.1862745 0.1862745 0.5000000), wk = 0.0036496 k( 184) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0036496 k( 185) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0036496 k( 186) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0036496 k( 187) = ( 0.1470588 0.1470588 0.5000000), wk = 0.0036496 k( 188) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0036496 k( 189) = ( 0.1274510 0.1274510 0.5000000), wk = 0.0036496 k( 190) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0036496 k( 191) = ( 0.1078431 0.1078431 0.5000000), wk = 0.0036496 k( 192) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0036496 k( 193) = ( 0.0882353 0.0882353 0.5000000), wk = 0.0036496 k( 194) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0036496 k( 195) = ( 0.0686275 0.0686275 0.5000000), wk = 0.0036496 k( 196) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0036496 k( 197) = ( 0.0490196 0.0490196 0.5000000), wk = 0.0036496 k( 198) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0036496 k( 199) = ( 0.0294118 0.0294118 0.5000000), wk = 0.0036496 k( 200) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0036496 k( 201) = ( 0.0098039 0.0098039 0.5000000), wk = 0.0036496 k( 202) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 203) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0036496 k( 204) = ( 0.5000000 -0.0000000 0.4857143), wk = 0.0036496 k( 205) = ( 0.5000000 -0.0000000 0.4714286), wk = 0.0036496 k( 206) = ( 0.5000000 -0.0000000 0.4571429), wk = 0.0036496 k( 207) = ( 0.5000000 -0.0000000 0.4428571), wk = 0.0036496 k( 208) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0036496 k( 209) = ( 0.5000000 -0.0000000 0.4142857), wk = 0.0036496 k( 210) = ( 0.5000000 -0.0000000 0.4000000), wk = 0.0036496 k( 211) = ( 0.5000000 -0.0000000 0.3857143), wk = 0.0036496 k( 212) = ( 0.5000000 -0.0000000 0.3714286), wk = 0.0036496 k( 213) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0036496 k( 214) = ( 0.5000000 -0.0000000 0.3428571), wk = 0.0036496 k( 215) = ( 0.5000000 -0.0000000 0.3285714), wk = 0.0036496 k( 216) = ( 0.5000000 -0.0000000 0.3142857), wk = 0.0036496 k( 217) = ( 0.5000000 -0.0000000 0.3000000), wk = 0.0036496 k( 218) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0036496 k( 219) = ( 0.5000000 -0.0000000 0.2714286), wk = 0.0036496 k( 220) = ( 0.5000000 -0.0000000 0.2571429), wk = 0.0036496 k( 221) = ( 0.5000000 -0.0000000 0.2428571), wk = 0.0036496 k( 222) = ( 0.5000000 -0.0000000 0.2285714), wk = 0.0036496 k( 223) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0036496 k( 224) = ( 0.5000000 -0.0000000 0.2000000), wk = 0.0036496 k( 225) = ( 0.5000000 -0.0000000 0.1857143), wk = 0.0036496 k( 226) = ( 0.5000000 -0.0000000 0.1714286), wk = 0.0036496 k( 227) = ( 0.5000000 -0.0000000 0.1571429), wk = 0.0036496 k( 228) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0036496 k( 229) = ( 0.5000000 -0.0000000 0.1285714), wk = 0.0036496 k( 230) = ( 0.5000000 -0.0000000 0.1142857), wk = 0.0036496 k( 231) = ( 0.5000000 -0.0000000 0.1000000), wk = 0.0036496 k( 232) = ( 0.5000000 -0.0000000 0.0857143), wk = 0.0036496 k( 233) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0036496 k( 234) = ( 0.5000000 -0.0000000 0.0571429), wk = 0.0036496 k( 235) = ( 0.5000000 -0.0000000 0.0428571), wk = 0.0036496 k( 236) = ( 0.5000000 -0.0000000 0.0285714), wk = 0.0036496 k( 237) = ( 0.5000000 -0.0000000 0.0142857), wk = 0.0036496 k( 238) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0036496 k( 239) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0036496 k( 240) = ( 0.3333333 0.3333333 0.0142857), wk = 0.0036496 k( 241) = ( 0.3333333 0.3333333 0.0285714), wk = 0.0036496 k( 242) = ( 0.3333333 0.3333333 0.0428571), wk = 0.0036496 k( 243) = ( 0.3333333 0.3333333 0.0571429), wk = 0.0036496 k( 244) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0036496 k( 245) = ( 0.3333333 0.3333333 0.0857143), wk = 0.0036496 k( 246) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0036496 k( 247) = ( 0.3333333 0.3333333 0.1142857), wk = 0.0036496 k( 248) = ( 0.3333333 0.3333333 0.1285714), wk = 0.0036496 k( 249) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0036496 k( 250) = ( 0.3333333 0.3333333 0.1571429), wk = 0.0036496 k( 251) = ( 0.3333333 0.3333333 0.1714286), wk = 0.0036496 k( 252) = ( 0.3333333 0.3333333 0.1857143), wk = 0.0036496 k( 253) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0036496 k( 254) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0036496 k( 255) = ( 0.3333333 0.3333333 0.2285714), wk = 0.0036496 k( 256) = ( 0.3333333 0.3333333 0.2428571), wk = 0.0036496 k( 257) = ( 0.3333333 0.3333333 0.2571429), wk = 0.0036496 k( 258) = ( 0.3333333 0.3333333 0.2714286), wk = 0.0036496 k( 259) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0036496 k( 260) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0036496 k( 261) = ( 0.3333333 0.3333333 0.3142857), wk = 0.0036496 k( 262) = ( 0.3333333 0.3333333 0.3285714), wk = 0.0036496 k( 263) = ( 0.3333333 0.3333333 0.3428571), wk = 0.0036496 k( 264) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0036496 k( 265) = ( 0.3333333 0.3333333 0.3714286), wk = 0.0036496 k( 266) = ( 0.3333333 0.3333333 0.3857143), wk = 0.0036496 k( 267) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0036496 k( 268) = ( 0.3333333 0.3333333 0.4142857), wk = 0.0036496 k( 269) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0036496 k( 270) = ( 0.3333333 0.3333333 0.4428571), wk = 0.0036496 k( 271) = ( 0.3333333 0.3333333 0.4571429), wk = 0.0036496 k( 272) = ( 0.3333333 0.3333333 0.4714286), wk = 0.0036496 k( 273) = ( 0.3333333 0.3333333 0.4857143), wk = 0.0036496 k( 274) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036496 Dense grid: 73851 G-vectors FFT dimensions: ( 64, 64, 45) Smooth grid: 34685 G-vectors FFT dimensions: ( 48, 48, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 256, 48) NL pseudopotentials 0.53 Mb ( 128, 272) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2051) G-vector shells 0.01 Mb ( 948) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.75 Mb ( 256, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.40 Mb ( 272, 2, 48) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./YAl3.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 4.1 secs Computing kpt #: 6 total cpu time spent up to now is 4.6 secs Computing kpt #: 7 total cpu time spent up to now is 5.0 secs Computing kpt #: 8 total cpu time spent up to now is 5.4 secs Computing kpt #: 9 total cpu time spent up to now is 5.9 secs Computing kpt #: 10 total cpu time spent up to now is 6.3 secs Computing kpt #: 11 total cpu time spent up to now is 6.7 secs Computing kpt #: 12 total cpu time spent up to now is 7.1 secs Computing kpt #: 13 total cpu time spent up to now is 7.5 secs Computing kpt #: 14 total cpu time spent up to now is 8.0 secs Computing kpt #: 15 total cpu time spent up to now is 8.4 secs Computing kpt #: 16 total cpu time spent up to now is 8.9 secs Computing kpt #: 17 total cpu time spent up to now is 9.3 secs Computing kpt #: 18 total cpu time spent up to now is 10.0 secs Computing kpt #: 19 total cpu time spent up to now is 10.5 secs Computing kpt #: 20 total cpu time spent up to now is 11.1 secs Computing kpt #: 21 total cpu time spent up to now is 11.7 secs Computing kpt #: 22 total cpu time spent up to now is 12.2 secs Computing kpt #: 23 total cpu time spent up to now is 12.8 secs Computing kpt #: 24 total cpu time spent up to now is 13.4 secs Computing kpt #: 25 total cpu time spent up to now is 13.9 secs Computing kpt #: 26 total cpu time spent up to now is 14.5 secs Computing kpt #: 27 total cpu time spent up to now is 15.1 secs Computing kpt #: 28 total cpu time spent up to now is 15.7 secs Computing kpt #: 29 total cpu time spent up to now is 16.2 secs Computing kpt #: 30 total cpu time spent up to now is 16.8 secs Computing kpt #: 31 total cpu time spent up to now is 17.4 secs Computing kpt #: 32 total cpu time spent up to now is 17.9 secs Computing kpt #: 33 total cpu time spent up to now is 18.5 secs Computing kpt #: 34 total cpu time spent up to now is 19.1 secs Computing kpt #: 35 total cpu time spent up to now is 19.7 secs Computing kpt #: 36 total cpu time spent up to now is 20.3 secs Computing kpt #: 37 total cpu time spent up to now is 20.9 secs Computing kpt #: 38 total cpu time spent up to now is 21.5 secs Computing kpt #: 39 total cpu time spent up to now is 22.1 secs Computing kpt #: 40 total cpu time spent up to now is 22.6 secs Computing kpt #: 41 total cpu time spent up to now is 23.2 secs Computing kpt #: 42 total cpu time spent up to now is 23.8 secs Computing kpt #: 43 total cpu time spent up to now is 24.4 secs Computing kpt #: 44 total cpu time spent up to now is 25.0 secs Computing kpt #: 45 total cpu time spent up to now is 25.6 secs Computing kpt #: 46 total cpu time spent up to now is 26.2 secs Computing kpt #: 47 total cpu time spent up to now is 26.8 secs Computing kpt #: 48 total cpu time spent up to now is 27.5 secs Computing kpt #: 49 total cpu time spent up to now is 28.1 secs Computing kpt #: 50 total cpu time spent up to now is 28.7 secs Computing kpt #: 51 total cpu time spent up to now is 29.3 secs Computing kpt #: 52 total cpu time spent up to now is 29.9 secs Computing kpt #: 53 total cpu time spent up to now is 30.5 secs Computing kpt #: 54 total cpu time spent up to now is 31.1 secs Computing kpt #: 55 total cpu time spent up to now is 31.7 secs Computing kpt #: 56 total cpu time spent up to now is 32.3 secs Computing kpt #: 57 total cpu time spent up to now is 32.9 secs Computing kpt #: 58 total cpu time spent up to now is 33.5 secs Computing kpt #: 59 total cpu time spent up to now is 34.1 secs Computing kpt #: 60 total cpu time spent up to now is 34.6 secs Computing kpt #: 61 total cpu time spent up to now is 35.3 secs Computing kpt #: 62 total cpu time spent up to now is 35.9 secs Computing kpt #: 63 total cpu time spent up to now is 36.5 secs Computing kpt #: 64 total cpu time spent up to now is 37.0 secs Computing kpt #: 65 total cpu time spent up to now is 37.6 secs Computing kpt #: 66 total cpu time spent up to now is 38.1 secs Computing kpt #: 67 total cpu time spent up to now is 38.6 secs Computing kpt #: 68 total cpu time spent up to now is 39.1 secs Computing kpt #: 69 total cpu time spent up to now is 39.6 secs Computing kpt #: 70 total cpu time spent up to now is 40.0 secs Computing kpt #: 71 total cpu time spent up to now is 40.4 secs Computing kpt #: 72 total cpu time spent up to now is 40.9 secs Computing kpt #: 73 total cpu time spent up to now is 41.3 secs Computing kpt #: 74 total cpu time spent up to now is 41.7 secs Computing kpt #: 75 total cpu time spent up to now is 42.1 secs Computing kpt #: 76 total cpu time spent up to now is 42.5 secs Computing kpt #: 77 total cpu time spent up to now is 43.0 secs Computing kpt #: 78 total cpu time spent up to now is 43.4 secs Computing kpt #: 79 total cpu time spent up to now is 43.9 secs Computing kpt #: 80 total cpu time spent up to now is 44.3 secs Computing kpt #: 81 total cpu time spent up to now is 44.7 secs Computing kpt #: 82 total cpu time spent up to now is 45.2 secs Computing kpt #: 83 total cpu time spent up to now is 45.6 secs Computing kpt #: 84 total cpu time spent up to now is 46.0 secs Computing kpt #: 85 total cpu time spent up to now is 46.5 secs Computing kpt #: 86 total cpu time spent up to now is 46.9 secs Computing kpt #: 87 total cpu time spent up to now is 47.3 secs Computing kpt #: 88 total cpu time spent up to now is 47.7 secs Computing kpt #: 89 total cpu time spent up to now is 48.2 secs Computing kpt #: 90 total cpu time spent up to now is 48.6 secs Computing kpt #: 91 total cpu time spent up to now is 49.0 secs Computing kpt #: 92 total cpu time spent up to now is 49.4 secs Computing kpt #: 93 total cpu time spent up to now is 49.8 secs Computing kpt #: 94 total cpu time spent up to now is 50.2 secs Computing kpt #: 95 total cpu time spent up to now is 50.6 secs Computing kpt #: 96 total cpu time spent up to now is 51.1 secs Computing kpt #: 97 total cpu time spent up to now is 51.5 secs Computing kpt #: 98 total cpu time spent up to now is 52.0 secs Computing kpt #: 99 total cpu time spent up to now is 52.5 secs Computing kpt #: 100 total cpu time spent up to now is 53.1 secs Computing kpt #: 101 total cpu time spent up to now is 53.7 secs Computing kpt #: 102 total cpu time spent up to now is 54.2 secs Computing kpt #: 103 total cpu time spent up to now is 54.7 secs Computing kpt #: 104 total cpu time spent up to now is 55.3 secs Computing kpt #: 105 total cpu time spent up to now is 55.9 secs Computing kpt #: 106 total cpu time spent up to now is 56.4 secs Computing kpt #: 107 total cpu time spent up to now is 57.0 secs Computing kpt #: 108 total cpu time spent up to now is 57.6 secs Computing kpt #: 109 total cpu time spent up to now is 58.1 secs Computing kpt #: 110 total cpu time spent up to now is 58.8 secs Computing kpt #: 111 total cpu time spent up to now is 59.4 secs Computing kpt #: 112 total cpu time spent up to now is 60.0 secs Computing kpt #: 113 total cpu time spent up to now is 61.2 secs Computing kpt #: 114 total cpu time spent up to now is 61.8 secs Computing kpt #: 115 total cpu time spent up to now is 62.5 secs Computing kpt #: 116 total cpu time spent up to now is 63.1 secs Computing kpt #: 117 total cpu time spent up to now is 63.8 secs Computing kpt #: 118 total cpu time spent up to now is 64.4 secs Computing kpt #: 119 total cpu time spent up to now is 65.1 secs Computing kpt #: 120 total cpu time spent up to now is 65.7 secs Computing kpt #: 121 total cpu time spent up to now is 66.4 secs Computing kpt #: 122 total cpu time spent up to now is 67.0 secs Computing kpt #: 123 total cpu time spent up to now is 67.7 secs Computing kpt #: 124 total cpu time spent up to now is 68.4 secs Computing kpt #: 125 total cpu time spent up to now is 69.1 secs Computing kpt #: 126 total cpu time spent up to now is 69.9 secs Computing kpt #: 127 total cpu time spent up to now is 70.6 secs Computing kpt #: 128 total cpu time spent up to now is 71.4 secs Computing kpt #: 129 total cpu time spent up to now is 72.3 secs Computing kpt #: 130 total cpu time spent up to now is 72.9 secs Computing kpt #: 131 total cpu time spent up to now is 73.5 secs Computing kpt #: 132 total cpu time spent up to now is 74.0 secs Computing kpt #: 133 total cpu time spent up to now is 74.5 secs Computing kpt #: 134 total cpu time spent up to now is 75.0 secs Computing kpt #: 135 total cpu time spent up to now is 75.5 secs Computing kpt #: 136 total cpu time spent up to now is 76.0 secs Computing kpt #: 137 total cpu time spent up to now is 76.5 secs Computing kpt #: 138 total cpu time spent up to now is 77.1 secs Computing kpt #: 139 total cpu time spent up to now is 77.6 secs Computing kpt #: 140 total cpu time spent up to now is 78.2 secs Computing kpt #: 141 total cpu time spent up to now is 78.7 secs Computing kpt #: 142 total cpu time spent up to now is 79.2 secs Computing kpt #: 143 total cpu time spent up to now is 79.8 secs Computing kpt #: 144 total cpu time spent up to now is 80.4 secs Computing kpt #: 145 total cpu time spent up to now is 80.9 secs Computing kpt #: 146 total cpu time spent up to now is 81.5 secs Computing kpt #: 147 total cpu time spent up to now is 82.1 secs Computing kpt #: 148 total cpu time spent up to now is 82.6 secs Computing kpt #: 149 total cpu time spent up to now is 83.2 secs Computing kpt #: 150 total cpu time spent up to now is 83.7 secs Computing kpt #: 151 total cpu time spent up to now is 84.3 secs Computing kpt #: 152 total cpu time spent up to now is 84.9 secs Computing kpt #: 153 total cpu time spent up to now is 85.5 secs Computing kpt #: 154 total cpu time spent up to now is 86.1 secs Computing kpt #: 155 total cpu time spent up to now is 86.7 secs Computing kpt #: 156 total cpu time spent up to now is 87.3 secs Computing kpt #: 157 total cpu time spent up to now is 87.8 secs Computing kpt #: 158 total cpu time spent up to now is 88.4 secs Computing kpt #: 159 total cpu time spent up to now is 89.1 secs Computing kpt #: 160 total cpu time spent up to now is 89.6 secs Computing kpt #: 161 total cpu time spent up to now is 90.3 secs Computing kpt #: 162 total cpu time spent up to now is 90.9 secs Computing kpt #: 163 total cpu time spent up to now is 91.4 secs Computing kpt #: 164 total cpu time spent up to now is 92.1 secs Computing kpt #: 165 total cpu time spent up to now is 92.7 secs Computing kpt #: 166 total cpu time spent up to now is 93.3 secs Computing kpt #: 167 total cpu time spent up to now is 93.8 secs Computing kpt #: 168 total cpu time spent up to now is 94.4 secs Computing kpt #: 169 total cpu time spent up to now is 95.0 secs Computing kpt #: 170 total cpu time spent up to now is 95.6 secs Computing kpt #: 171 total cpu time spent up to now is 96.3 secs Computing kpt #: 172 total cpu time spent up to now is 96.9 secs Computing kpt #: 173 total cpu time spent up to now is 97.5 secs Computing kpt #: 174 total cpu time spent up to now is 98.1 secs Computing kpt #: 175 total cpu time spent up to now is 98.7 secs Computing kpt #: 176 total cpu time spent up to now is 99.3 secs Computing kpt #: 177 total cpu time spent up to now is 99.9 secs Computing kpt #: 178 total cpu time spent up to now is 100.4 secs Computing kpt #: 179 total cpu time spent up to now is 100.8 secs Computing kpt #: 180 total cpu time spent up to now is 101.3 secs Computing kpt #: 181 total cpu time spent up to now is 101.8 secs Computing kpt #: 182 total cpu time spent up to now is 102.3 secs Computing kpt #: 183 total cpu time spent up to now is 102.8 secs Computing kpt #: 184 total cpu time spent up to now is 103.2 secs Computing kpt #: 185 total cpu time spent up to now is 103.8 secs Computing kpt #: 186 total cpu time spent up to now is 104.3 secs Computing kpt #: 187 total cpu time spent up to now is 104.8 secs Computing kpt #: 188 total cpu time spent up to now is 105.4 secs Computing kpt #: 189 total cpu time spent up to now is 106.0 secs Computing kpt #: 190 total cpu time spent up to now is 106.6 secs Computing kpt #: 191 total cpu time spent up to now is 107.1 secs Computing kpt #: 192 total cpu time spent up to now is 107.6 secs Computing kpt #: 193 total cpu time spent up to now is 108.2 secs Computing kpt #: 194 total cpu time spent up to now is 108.9 secs Computing kpt #: 195 total cpu time spent up to now is 109.6 secs Computing kpt #: 196 total cpu time spent up to now is 110.3 secs Computing kpt #: 197 total cpu time spent up to now is 111.0 secs Computing kpt #: 198 total cpu time spent up to now is 111.7 secs Computing kpt #: 199 total cpu time spent up to now is 112.4 secs Computing kpt #: 200 total cpu time spent up to now is 113.0 secs Computing kpt #: 201 total cpu time spent up to now is 113.7 secs Computing kpt #: 202 total cpu time spent up to now is 114.3 secs Computing kpt #: 203 total cpu time spent up to now is 114.9 secs Computing kpt #: 204 total cpu time spent up to now is 115.5 secs Computing kpt #: 205 total cpu time spent up to now is 116.1 secs Computing kpt #: 206 total cpu time spent up to now is 116.6 secs Computing kpt #: 207 total cpu time spent up to now is 117.1 secs Computing kpt #: 208 total cpu time spent up to now is 117.5 secs Computing kpt #: 209 total cpu time spent up to now is 118.0 secs Computing kpt #: 210 total cpu time spent up to now is 118.4 secs Computing kpt #: 211 total cpu time spent up to now is 118.9 secs Computing kpt #: 212 total cpu time spent up to now is 119.4 secs Computing kpt #: 213 total cpu time spent up to now is 119.8 secs Computing kpt #: 214 total cpu time spent up to now is 120.3 secs Computing kpt #: 215 total cpu time spent up to now is 120.8 secs Computing kpt #: 216 total cpu time spent up to now is 121.3 secs Computing kpt #: 217 total cpu time spent up to now is 121.8 secs Computing kpt #: 218 total cpu time spent up to now is 122.4 secs Computing kpt #: 219 total cpu time spent up to now is 122.9 secs Computing kpt #: 220 total cpu time spent up to now is 123.4 secs Computing kpt #: 221 total cpu time spent up to now is 123.9 secs Computing kpt #: 222 total cpu time spent up to now is 124.3 secs Computing kpt #: 223 total cpu time spent up to now is 124.8 secs Computing kpt #: 224 total cpu time spent up to now is 125.3 secs Computing kpt #: 225 total cpu time spent up to now is 125.9 secs Computing kpt #: 226 total cpu time spent up to now is 126.5 secs Computing kpt #: 227 total cpu time spent up to now is 127.1 secs Computing kpt #: 228 total cpu time spent up to now is 127.6 secs Computing kpt #: 229 total cpu time spent up to now is 128.1 secs Computing kpt #: 230 total cpu time spent up to now is 128.6 secs Computing kpt #: 231 total cpu time spent up to now is 129.1 secs Computing kpt #: 232 total cpu time spent up to now is 129.6 secs Computing kpt #: 233 total cpu time spent up to now is 130.0 secs Computing kpt #: 234 total cpu time spent up to now is 130.5 secs Computing kpt #: 235 total cpu time spent up to now is 131.0 secs Computing kpt #: 236 total cpu time spent up to now is 131.5 secs Computing kpt #: 237 total cpu time spent up to now is 132.1 secs Computing kpt #: 238 total cpu time spent up to now is 132.7 secs Computing kpt #: 239 total cpu time spent up to now is 133.3 secs Computing kpt #: 240 total cpu time spent up to now is 133.9 secs Computing kpt #: 241 total cpu time spent up to now is 134.5 secs Computing kpt #: 242 total cpu time spent up to now is 135.0 secs Computing kpt #: 243 total cpu time spent up to now is 135.5 secs Computing kpt #: 244 total cpu time spent up to now is 135.9 secs Computing kpt #: 245 total cpu time spent up to now is 136.4 secs Computing kpt #: 246 total cpu time spent up to now is 136.8 secs Computing kpt #: 247 total cpu time spent up to now is 137.3 secs Computing kpt #: 248 total cpu time spent up to now is 137.8 secs Computing kpt #: 249 total cpu time spent up to now is 138.2 secs Computing kpt #: 250 total cpu time spent up to now is 138.7 secs Computing kpt #: 251 total cpu time spent up to now is 139.1 secs Computing kpt #: 252 total cpu time spent up to now is 139.6 secs Computing kpt #: 253 total cpu time spent up to now is 140.0 secs Computing kpt #: 254 total cpu time spent up to now is 140.5 secs Computing kpt #: 255 total cpu time spent up to now is 141.0 secs Computing kpt #: 256 total cpu time spent up to now is 141.4 secs Computing kpt #: 257 total cpu time spent up to now is 141.9 secs Computing kpt #: 258 total cpu time spent up to now is 142.4 secs Computing kpt #: 259 total cpu time spent up to now is 142.9 secs Computing kpt #: 260 total cpu time spent up to now is 143.3 secs Computing kpt #: 261 total cpu time spent up to now is 143.8 secs Computing kpt #: 262 total cpu time spent up to now is 144.2 secs Computing kpt #: 263 total cpu time spent up to now is 144.7 secs Computing kpt #: 264 total cpu time spent up to now is 145.2 secs Computing kpt #: 265 total cpu time spent up to now is 145.6 secs Computing kpt #: 266 total cpu time spent up to now is 146.1 secs Computing kpt #: 267 total cpu time spent up to now is 146.6 secs Computing kpt #: 268 total cpu time spent up to now is 147.1 secs Computing kpt #: 269 total cpu time spent up to now is 147.7 secs Computing kpt #: 270 total cpu time spent up to now is 148.3 secs Computing kpt #: 271 total cpu time spent up to now is 148.9 secs Computing kpt #: 272 total cpu time spent up to now is 149.4 secs Computing kpt #: 273 total cpu time spent up to now is 150.0 secs Computing kpt #: 274 total cpu time spent up to now is 150.6 secs ethr = 2.50E-08, avg # of iterations = 24.7 total cpu time spent up to now is 150.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4367 PWs) bands (ev): -33.3557 -33.3557 -33.3488 -33.3488 -14.4329 -14.4329 -14.3897 -14.3897 -13.0186 -13.0186 -13.0169 -13.0169 -12.9681 -12.9681 -12.9570 -12.9570 -0.7905 -0.7905 3.2093 3.2093 3.2272 3.2272 4.6335 4.6335 5.0464 5.0464 5.6368 5.6368 5.7095 5.7095 5.9402 5.9402 7.3745 7.3745 8.4355 8.4355 8.4424 8.4424 8.8044 8.8044 8.8209 8.8209 9.4772 9.4772 9.4951 9.4951 10.2693 10.2693 k = 0.0172 0.0100-0.0000 ( 4375 PWs) bands (ev): -33.3558 -33.3558 -33.3488 -33.3488 -14.4328 -14.4328 -14.3897 -14.3897 -13.0186 -13.0186 -13.0169 -13.0169 -12.9681 -12.9681 -12.9571 -12.9571 -0.7892 -0.7892 3.2039 3.2039 3.2236 3.2236 4.6435 4.6435 5.0427 5.0427 5.6386 5.6386 5.7107 5.7107 5.9399 5.9399 7.3795 7.3795 8.4247 8.4247 8.4309 8.4309 8.8188 8.8188 8.8345 8.8345 9.4753 9.4753 9.4936 9.4936 10.2498 10.2498 k = 0.0345 0.0199-0.0000 ( 4367 PWs) bands (ev): -33.3557 -33.3557 -33.3488 -33.3488 -14.4328 -14.4328 -14.3898 -14.3898 -13.0186 -13.0186 -13.0168 -13.0168 -12.9681 -12.9681 -12.9571 -12.9571 -0.7853 -0.7853 3.1817 3.1817 3.2196 3.2196 4.6727 4.6727 5.0317 5.0317 5.6442 5.6442 5.7145 5.7145 5.9388 5.9388 7.3941 7.3941 8.3954 8.3954 8.4013 8.4013 8.8574 8.8574 8.8717 8.8717 9.4684 9.4684 9.4908 9.4908 10.1957 10.1957 k = 0.0517 0.0299-0.0000 ( 4361 PWs) bands (ev): -33.3557 -33.3557 -33.3488 -33.3488 -14.4326 -14.4326 -14.3899 -14.3899 -13.0185 -13.0185 -13.0167 -13.0167 -12.9682 -12.9682 -12.9573 -12.9573 -0.7789 -0.7789 3.1424 3.1424 3.2175 3.2175 4.7185 4.7185 5.0140 5.0140 5.6534 5.6534 5.7213 5.7213 5.9371 5.9371 7.4175 7.4175 8.3538 8.3538 8.3627 8.3627 8.9120 8.9120 8.9256 8.9256 9.4542 9.4542 9.4890 9.4890 10.1167 10.1167 k = 0.0690 0.0398-0.0000 ( 4357 PWs) bands (ev): -33.3556 -33.3556 -33.3488 -33.3488 -14.4325 -14.4325 -14.3902 -14.3902 -13.0184 -13.0184 -13.0166 -13.0166 -12.9683 -12.9683 -12.9575 -12.9575 -0.7699 -0.7699 3.0901 3.0901 3.2158 3.2158 4.7767 4.7767 4.9914 4.9914 5.6666 5.6666 5.7316 5.7316 5.9346 5.9346 7.4485 7.4485 8.3059 8.3059 8.3206 8.3206 8.9759 8.9759 8.9910 8.9910 9.4324 9.4324 9.4891 9.4891 10.0217 10.0217 k = 0.0862 0.0498-0.0000 ( 4355 PWs) bands (ev): -33.3556 -33.3556 -33.3489 -33.3489 -14.4322 -14.4322 -14.3904 -14.3904 -13.0183 -13.0183 -13.0164 -13.0164 -12.9685 -12.9685 -12.9577 -12.9577 -0.7585 -0.7585 3.0281 3.0281 3.2140 3.2140 4.8384 4.8384 4.9703 4.9703 5.6838 5.6838 5.7461 5.7461 5.9316 5.9316 7.4854 7.4854 8.2554 8.2554 8.2779 8.2779 9.0456 9.0456 9.0647 9.0647 9.4035 9.4035 9.4915 9.4915 9.9164 9.9164 k = 0.1034 0.0597-0.0000 ( 4357 PWs) bands (ev): -33.3555 -33.3555 -33.3489 -33.3489 -14.4320 -14.4320 -14.3908 -14.3908 -13.0182 -13.0182 -13.0162 -13.0162 -12.9687 -12.9687 -12.9580 -12.9580 -0.7446 -0.7446 2.9590 2.9590 3.2121 3.2121 4.8691 4.8691 4.9833 4.9833 5.7054 5.7054 5.7650 5.7650 5.9279 5.9279 7.5263 7.5263 8.2044 8.2044 8.2363 8.2363 9.1193 9.1193 9.1447 9.1447 9.3676 9.3676 9.4969 9.4969 9.8050 9.8050 k = 0.1207 0.0697-0.0000 ( 4349 PWs) bands (ev): -33.3554 -33.3554 -33.3490 -33.3490 -14.4317 -14.4317 -14.3912 -14.3912 -13.0181 -13.0181 -13.0158 -13.0158 -12.9689 -12.9689 -12.9583 -12.9583 -0.7283 -0.7283 2.8848 2.8848 3.2099 3.2099 4.8451 4.8451 5.0523 5.0523 5.7320 5.7320 5.7885 5.7885 5.9238 5.9238 7.5692 7.5692 8.1538 8.1538 8.1968 8.1968 9.1959 9.1959 9.2289 9.2289 9.3254 9.3254 9.5061 9.5061 9.6899 9.6899 k = 0.1379 0.0796-0.0000 ( 4353 PWs) bands (ev): -33.3554 -33.3554 -33.3491 -33.3491 -14.4313 -14.4313 -14.3916 -14.3916 -13.0180 -13.0180 -13.0155 -13.0155 -12.9692 -12.9692 -12.9587 -12.9587 -0.7097 -0.7097 2.8071 2.8071 3.2075 3.2075 4.8022 4.8022 5.1404 5.1404 5.7641 5.7641 5.8166 5.8166 5.9193 5.9193 7.6122 7.6122 8.1044 8.1044 8.1599 8.1599 9.2647 9.2647 9.2813 9.2813 9.3221 9.3221 9.5183 9.5183 9.5753 9.5753 k = 0.1552 0.0896-0.0000 ( 4351 PWs) bands (ev): -33.3553 -33.3553 -33.3491 -33.3491 -14.4309 -14.4309 -14.3921 -14.3921 -13.0180 -13.0180 -13.0150 -13.0150 -12.9696 -12.9696 -12.9591 -12.9591 -0.6890 -0.6890 2.7272 2.7272 3.2049 3.2049 4.7527 4.7527 5.2340 5.2340 5.8025 5.8025 5.8490 5.8490 5.9150 5.9150 7.6532 7.6532 8.0565 8.0565 8.1260 8.1260 9.2147 9.2147 9.3562 9.3562 9.4101 9.4101 9.4534 9.4534 9.5468 9.5468 k = 0.1724 0.0995-0.0000 ( 4345 PWs) bands (ev): -33.3552 -33.3552 -33.3492 -33.3492 -14.4304 -14.4304 -14.3927 -14.3927 -13.0179 -13.0179 -13.0145 -13.0145 -12.9700 -12.9700 -12.9595 -12.9595 -0.6661 -0.6661 2.6461 2.6461 3.2021 3.2021 4.6998 4.6998 5.3289 5.3289 5.8469 5.8469 5.8843 5.8843 5.9134 5.9134 7.6905 7.6905 8.0104 8.0104 8.0952 8.0952 9.1510 9.1510 9.3281 9.3281 9.4432 9.4432 9.5085 9.5085 9.5755 9.5755 k = 0.1897 0.1095-0.0000 ( 4345 PWs) bands (ev): -33.3551 -33.3551 -33.3493 -33.3493 -14.4299 -14.4299 -14.3933 -14.3933 -13.0179 -13.0179 -13.0139 -13.0139 -12.9704 -12.9704 -12.9599 -12.9599 -0.6413 -0.6413 2.5645 2.5645 3.1993 3.1993 4.6451 4.6451 5.4223 5.4223 5.8845 5.8845 5.9155 5.9155 5.9352 5.9352 7.7224 7.7224 7.9661 7.9661 8.0676 8.0676 9.0801 9.0801 9.2116 9.2116 9.5267 9.5267 9.5993 9.5993 9.6206 9.6206 k = 0.2069 0.1195-0.0000 ( 4345 PWs) bands (ev): -33.3550 -33.3550 -33.3494 -33.3494 -14.4294 -14.4294 -14.3940 -14.3940 -13.0178 -13.0178 -13.0132 -13.0132 -12.9709 -12.9709 -12.9603 -12.9603 -0.6146 -0.6146 2.4830 2.4830 3.1963 3.1963 4.5897 4.5897 5.5120 5.5120 5.8872 5.8872 5.9669 5.9669 5.9855 5.9855 7.7476 7.7476 7.9240 7.9240 8.0432 8.0432 9.0028 9.0028 9.0953 9.0953 9.6121 9.6121 9.6568 9.6568 9.7113 9.7113 k = 0.2241 0.1294-0.0000 ( 4346 PWs) bands (ev): -33.3550 -33.3550 -33.3494 -33.3494 -14.4288 -14.4288 -14.3947 -14.3947 -13.0178 -13.0178 -13.0125 -13.0125 -12.9715 -12.9715 -12.9607 -12.9607 -0.5863 -0.5863 2.4023 2.4023 3.1933 3.1933 4.5344 4.5344 5.5967 5.5967 5.8819 5.8819 6.0200 6.0200 6.0563 6.0563 7.7653 7.7653 7.8840 7.8840 8.0218 8.0218 8.9195 8.9195 8.9814 8.9814 9.6977 9.6977 9.7157 9.7157 9.8131 9.8131 k = 0.2414 0.1394-0.0000 ( 4356 PWs) bands (ev): -33.3549 -33.3549 -33.3496 -33.3496 -14.4282 -14.4282 -14.3954 -14.3954 -13.0178 -13.0178 -13.0118 -13.0118 -12.9722 -12.9722 -12.9610 -12.9610 -0.5565 -0.5565 2.3226 2.3226 3.1903 3.1903 4.4799 4.4799 5.6760 5.6760 5.8752 5.8752 6.0740 6.0740 6.1414 6.1414 7.7745 7.7745 7.8463 7.8463 8.0034 8.0034 8.8309 8.8309 8.8708 8.8708 9.7775 9.7775 9.7898 9.7898 9.9170 9.9170 k = 0.2586 0.1493-0.0000 ( 4358 PWs) bands (ev): -33.3548 -33.3548 -33.3497 -33.3497 -14.4276 -14.4276 -14.3962 -14.3962 -13.0178 -13.0178 -13.0110 -13.0110 -12.9729 -12.9729 -12.9613 -12.9613 -0.5255 -0.5255 2.2446 2.2446 3.1873 3.1873 4.4268 4.4268 5.7503 5.7503 5.8681 5.8681 6.1309 6.1309 6.2362 6.2362 7.7748 7.7748 7.8110 7.8110 7.9878 7.9878 8.7377 8.7377 8.7646 8.7646 9.8546 9.8546 9.8756 9.8756 10.0220 10.0220 k = 0.2759 0.1593-0.0000 ( 4354 PWs) bands (ev): -33.3546 -33.3546 -33.3498 -33.3498 -14.4269 -14.4269 -14.3969 -14.3969 -13.0177 -13.0177 -13.0102 -13.0102 -12.9737 -12.9737 -12.9617 -12.9617 -0.4936 -0.4936 2.1685 2.1685 3.1844 3.1844 4.3756 4.3756 5.8207 5.8207 5.8609 5.8609 6.1913 6.1913 6.3383 6.3383 7.7655 7.7655 7.7785 7.7785 7.9747 7.9747 8.6405 8.6405 8.6640 8.6640 9.9383 9.9383 9.9625 9.9625 10.1272 10.1272 k = 0.2931 0.1692-0.0000 ( 4360 PWs) bands (ev): -33.3545 -33.3545 -33.3499 -33.3499 -14.4262 -14.4262 -14.3978 -14.3978 -13.0177 -13.0177 -13.0093 -13.0093 -12.9746 -12.9746 -12.9619 -12.9619 -0.4610 -0.4610 2.0948 2.0948 3.1816 3.1816 4.3269 4.3269 5.8528 5.8528 5.8894 5.8894 6.2549 6.2549 6.4451 6.4451 7.7438 7.7438 7.7513 7.7513 7.9639 7.9639 8.5401 8.5401 8.5703 8.5703 10.0285 10.0285 10.0493 10.0493 10.2311 10.2311 k = 0.3103 0.1792-0.0000 ( 4350 PWs) bands (ev): -33.3544 -33.3544 -33.3500 -33.3500 -14.4255 -14.4255 -14.3986 -14.3986 -13.0177 -13.0177 -13.0084 -13.0084 -12.9754 -12.9754 -12.9622 -12.9622 -0.4281 -0.4281 2.0240 2.0240 3.1789 3.1789 4.2809 4.2809 5.8457 5.8457 5.9560 5.9560 6.3219 6.3219 6.5545 6.5545 7.7156 7.7156 7.7233 7.7233 7.9553 7.9553 8.4372 8.4372 8.4848 8.4848 10.1231 10.1231 10.1358 10.1358 10.3059 10.3059 k = 0.3276 0.1891-0.0000 ( 4352 PWs) bands (ev): -33.3542 -33.3542 -33.3502 -33.3502 -14.4248 -14.4248 -14.3994 -14.3994 -13.0177 -13.0177 -13.0075 -13.0075 -12.9764 -12.9764 -12.9624 -12.9624 -0.3952 -0.3952 1.9564 1.9564 3.1763 3.1763 4.2379 4.2379 5.8386 5.8386 6.0223 6.0223 6.3920 6.3920 6.6645 6.6645 7.6820 7.6820 7.6934 7.6934 7.9485 7.9485 8.3325 8.3325 8.4086 8.4086 10.2140 10.2140 10.2267 10.2267 10.2780 10.2780 k = 0.3448 0.1991-0.0000 ( 4350 PWs) bands (ev): -33.3541 -33.3541 -33.3503 -33.3503 -14.4241 -14.4241 -14.4003 -14.4003 -13.0177 -13.0177 -13.0066 -13.0066 -12.9773 -12.9773 -12.9626 -12.9626 -0.3629 -0.3629 1.8925 1.8925 3.1739 3.1739 4.1983 4.1983 5.8319 5.8319 6.0886 6.0886 6.4652 6.4652 6.7730 6.7730 7.6361 7.6361 7.6689 7.6689 7.9433 7.9433 8.2268 8.2268 8.3424 8.3424 10.2459 10.2459 10.2967 10.2967 10.3304 10.3304 k = 0.3621 0.2090-0.0000 ( 4346 PWs) bands (ev): -33.3540 -33.3540 -33.3504 -33.3504 -14.4233 -14.4233 -14.4011 -14.4011 -13.0176 -13.0176 -13.0057 -13.0057 -12.9782 -12.9782 -12.9628 -12.9628 -0.3315 -0.3315 1.8329 1.8329 3.1717 3.1717 4.1623 4.1623 5.8255 5.8255 6.1550 6.1550 6.5412 6.5412 6.8784 6.8784 7.5812 7.5812 7.6476 7.6476 7.9394 7.9394 8.1205 8.1205 8.2864 8.2864 10.2215 10.2215 10.3744 10.3744 10.4302 10.4302 k = 0.3793 0.2190-0.0000 ( 4336 PWs) bands (ev): -33.3538 -33.3538 -33.3505 -33.3505 -14.4226 -14.4226 -14.4019 -14.4019 -13.0176 -13.0176 -13.0048 -13.0048 -12.9792 -12.9792 -12.9629 -12.9629 -0.3017 -0.3017 1.7781 1.7781 3.1697 3.1697 4.1301 4.1301 5.8197 5.8197 6.2215 6.2215 6.6199 6.6199 6.9787 6.9787 7.5195 7.5195 7.6288 7.6288 7.9363 7.9363 8.0148 8.0148 8.2400 8.2400 10.1999 10.1999 10.4475 10.4475 10.5263 10.5263 k = 0.3966 0.2289-0.0000 ( 4320 PWs) bands (ev): -33.3537 -33.3537 -33.3506 -33.3506 -14.4219 -14.4219 -14.4027 -14.4027 -13.0176 -13.0176 -13.0040 -13.0040 -12.9801 -12.9801 -12.9630 -12.9630 -0.2741 -0.2741 1.7288 1.7288 3.1680 3.1680 4.1019 4.1019 5.8144 5.8144 6.2877 6.2877 6.7011 6.7011 7.0717 7.0717 7.4536 7.4536 7.6125 7.6125 7.9050 7.9050 7.9388 7.9388 8.2023 8.2023 10.1813 10.1813 10.5150 10.5150 10.6118 10.6118 k = 0.4138 0.2389-0.0000 ( 4332 PWs) bands (ev): -33.3536 -33.3536 -33.3507 -33.3507 -14.4213 -14.4213 -14.4034 -14.4034 -13.0176 -13.0176 -13.0032 -13.0032 -12.9809 -12.9809 -12.9631 -12.9631 -0.2492 -0.2492 1.6856 1.6856 3.1665 3.1665 4.0778 4.0778 5.8099 5.8099 6.3528 6.3528 6.7844 6.7844 7.1549 7.1549 7.3866 7.3866 7.5988 7.5988 7.8026 7.8026 7.9358 7.9358 8.1721 8.1721 10.1659 10.1659 10.5755 10.5755 10.6774 10.6774 k = 0.4310 0.2489-0.0000 ( 4332 PWs) bands (ev): -33.3535 -33.3535 -33.3508 -33.3508 -14.4207 -14.4207 -14.4040 -14.4040 -13.0176 -13.0176 -13.0025 -13.0025 -12.9817 -12.9817 -12.9632 -12.9632 -0.2277 -0.2277 1.6490 1.6490 3.1652 3.1652 4.0579 4.0579 5.8060 5.8060 6.4151 6.4151 6.8692 6.8692 7.2230 7.2230 7.3248 7.3248 7.5875 7.5875 7.7005 7.7005 7.9352 7.9352 8.1486 8.1486 10.1533 10.1533 10.6276 10.6276 10.7137 10.7137 k = 0.4483 0.2588-0.0000 ( 4330 PWs) bands (ev): -33.3534 -33.3534 -33.3509 -33.3509 -14.4202 -14.4202 -14.4045 -14.4045 -13.0176 -13.0176 -13.0018 -13.0018 -12.9823 -12.9823 -12.9633 -12.9633 -0.2102 -0.2102 1.6199 1.6199 3.1642 3.1642 4.0424 4.0424 5.8030 5.8030 6.4723 6.4723 6.9542 6.9542 7.2379 7.2379 7.3079 7.3079 7.5788 7.5788 7.6017 7.6017 7.9351 7.9351 8.1309 8.1309 10.1437 10.1437 10.6699 10.6699 10.7255 10.7255 k = 0.4655 0.2688-0.0000 ( 4326 PWs) bands (ev): -33.3533 -33.3533 -33.3509 -33.3509 -14.4199 -14.4199 -14.4050 -14.4050 -13.0176 -13.0176 -13.0014 -13.0014 -12.9828 -12.9828 -12.9633 -12.9633 -0.1973 -0.1973 1.5986 1.5986 3.1635 3.1635 4.0312 4.0312 5.8008 5.8008 6.5204 6.5204 7.0364 7.0364 7.1953 7.1953 7.3430 7.3430 7.5095 7.5095 7.5725 7.5725 7.9352 7.9352 8.1184 8.1184 10.1368 10.1368 10.7005 10.7005 10.7239 10.7239 k = 0.4828 0.2787-0.0000 ( 4326 PWs) bands (ev): -33.3533 -33.3533 -33.3510 -33.3510 -14.4196 -14.4196 -14.4052 -14.4052 -13.0176 -13.0176 -13.0011 -13.0011 -12.9831 -12.9831 -12.9634 -12.9634 -0.1893 -0.1893 1.5856 1.5856 3.1631 3.1631 4.0245 4.0245 5.7995 5.7995 6.5535 6.5535 7.1072 7.1072 7.1613 7.1613 7.3685 7.3685 7.4330 7.4330 7.5687 7.5687 7.9354 7.9354 8.1110 8.1110 10.1327 10.1327 10.7160 10.7160 10.7184 10.7184 k = 0.5000 0.2887-0.0000 ( 4316 PWs) bands (ev): -33.3533 -33.3533 -33.3509 -33.3509 -14.4196 -14.4196 -14.4053 -14.4053 -13.0176 -13.0176 -13.0010 -13.0010 -12.9832 -12.9832 -12.9634 -12.9634 -0.1867 -0.1867 1.5813 1.5813 3.1630 3.1630 4.0223 4.0223 5.7990 5.7990 6.5655 6.5655 7.1392 7.1392 7.1496 7.1496 7.3761 7.3761 7.3994 7.3994 7.5675 7.5675 7.9355 7.9355 8.1086 8.1086 10.1314 10.1314 10.7128 10.7128 10.7228 10.7228 k = 0.5000 0.2887-0.0000 ( 4316 PWs) bands (ev): -33.3533 -33.3533 -33.3509 -33.3509 -14.4196 -14.4196 -14.4053 -14.4053 -13.0176 -13.0176 -13.0010 -13.0010 -12.9832 -12.9832 -12.9634 -12.9634 -0.1867 -0.1867 1.5813 1.5813 3.1630 3.1630 4.0223 4.0223 5.7990 5.7990 6.5655 6.5655 7.1392 7.1392 7.1496 7.1496 7.3761 7.3761 7.3994 7.3994 7.5675 7.5675 7.9355 7.9355 8.1086 8.1086 10.1314 10.1314 10.7128 10.7128 10.7228 10.7228 k = 0.4902 0.3057-0.0000 ( 4326 PWs) bands (ev): -33.3533 -33.3533 -33.3510 -33.3510 -14.4195 -14.4195 -14.4053 -14.4053 -13.0176 -13.0176 -13.0009 -13.0009 -12.9833 -12.9833 -12.9634 -12.9634 -0.1861 -0.1861 1.5829 1.5829 3.1492 3.1492 4.0373 4.0373 5.7988 5.7988 6.5623 6.5623 7.1143 7.1143 7.1487 7.1487 7.3932 7.3932 7.4080 7.4080 7.5684 7.5684 7.9343 7.9343 8.1125 8.1125 10.1224 10.1224 10.7161 10.7161 10.7245 10.7245 k = 0.4804 0.3226-0.0000 ( 4330 PWs) bands (ev): -33.3533 -33.3533 -33.3510 -33.3510 -14.4195 -14.4195 -14.4054 -14.4054 -13.0176 -13.0176 -13.0008 -13.0008 -12.9833 -12.9833 -12.9634 -12.9634 -0.1845 -0.1845 1.5876 1.5876 3.1104 3.1104 4.0799 4.0799 5.7980 5.7980 6.5523 6.5523 7.0591 7.0591 7.1481 7.1481 7.3905 7.3905 7.4664 7.4664 7.5711 7.5711 7.9309 7.9309 8.1240 8.1240 10.0978 10.0978 10.7232 10.7232 10.7256 10.7256 k = 0.4706 0.3396-0.0000 ( 4336 PWs) bands (ev): -33.3533 -33.3533 -33.3510 -33.3510 -14.4193 -14.4193 -14.4056 -14.4056 -13.0176 -13.0176 -13.0007 -13.0007 -12.9835 -12.9835 -12.9635 -12.9635 -0.1817 -0.1817 1.5956 1.5956 3.0529 3.0529 4.1440 4.1440 5.7969 5.7969 6.5336 6.5336 6.9990 6.9990 7.1468 7.1468 7.3837 7.3837 7.5369 7.5369 7.5757 7.5757 7.9252 7.9252 8.1426 8.1426 10.0624 10.0624 10.7181 10.7181 10.7310 10.7310 k = 0.4608 0.3566-0.0000 ( 4334 PWs) bands (ev): -33.3532 -33.3532 -33.3511 -33.3511 -14.4191 -14.4191 -14.4057 -14.4057 -13.0177 -13.0177 -13.0004 -13.0004 -12.9836 -12.9836 -12.9635 -12.9635 -0.1780 -0.1780 1.6067 1.6067 2.9828 2.9828 4.2231 4.2231 5.7953 5.7953 6.5035 6.5035 6.9452 6.9452 7.1436 7.1436 7.3765 7.3765 7.5811 7.5811 7.6088 7.6088 7.9175 7.9175 8.1674 8.1674 10.0222 10.0222 10.7069 10.7069 10.7313 10.7313 k = 0.4510 0.3736-0.0000 ( 4330 PWs) bands (ev): -33.3532 -33.3532 -33.3511 -33.3511 -14.4189 -14.4189 -14.4060 -14.4060 -13.0177 -13.0177 -13.0001 -13.0001 -12.9838 -12.9838 -12.9636 -12.9636 -0.1734 -0.1734 1.6210 1.6210 2.9051 2.9051 4.3125 4.3125 5.7933 5.7933 6.4599 6.4599 6.9034 6.9034 7.1373 7.1373 7.3713 7.3713 7.5891 7.5891 7.6756 7.6756 7.9079 7.9079 8.1974 8.1974 9.9825 9.9825 10.6925 10.6925 10.7221 10.7221 k = 0.4412 0.3906-0.0000 ( 4330 PWs) bands (ev): -33.3531 -33.3531 -33.3511 -33.3511 -14.4186 -14.4186 -14.4063 -14.4063 -13.0178 -13.0178 -12.9997 -12.9997 -12.9841 -12.9841 -12.9637 -12.9637 -0.1679 -0.1679 1.6383 1.6383 2.8230 2.8230 4.4088 4.4088 5.7910 5.7910 6.4029 6.4029 6.8752 6.8752 7.1267 7.1267 7.3700 7.3700 7.5981 7.5981 7.7353 7.7353 7.8966 7.8966 8.2317 8.2317 9.9476 9.9476 10.6758 10.6758 10.7034 10.7034 k = 0.4314 0.4075-0.0000 ( 4326 PWs) bands (ev): -33.3531 -33.3531 -33.3512 -33.3512 -14.4183 -14.4183 -14.4066 -14.4066 -13.0178 -13.0178 -12.9993 -12.9993 -12.9844 -12.9844 -12.9638 -12.9638 -0.1616 -0.1616 1.6588 1.6588 2.7391 2.7391 4.5095 4.5095 5.7885 5.7885 6.3345 6.3345 6.8593 6.8593 7.1114 7.1114 7.3741 7.3741 7.6085 7.6085 7.7852 7.7852 7.8840 7.8840 8.2693 8.2693 9.9214 9.9214 10.6577 10.6577 10.6767 10.6767 k = 0.4216 0.4245-0.0000 ( 4334 PWs) bands (ev): -33.3530 -33.3530 -33.3513 -33.3513 -14.4179 -14.4179 -14.4070 -14.4070 -13.0179 -13.0179 -12.9988 -12.9988 -12.9848 -12.9848 -12.9639 -12.9639 -0.1548 -0.1548 1.6823 1.6823 2.6547 2.6547 4.6132 4.6132 5.7859 5.7859 6.2582 6.2582 6.8528 6.8528 7.0918 7.0918 7.3841 7.3841 7.6198 7.6198 7.8232 7.8232 7.8704 7.8704 8.3095 8.3095 9.9066 9.9066 10.6386 10.6386 10.6448 10.6448 k = 0.4118 0.4415-0.0000 ( 4346 PWs) bands (ev): -33.3530 -33.3530 -33.3514 -33.3514 -14.4175 -14.4175 -14.4075 -14.4075 -13.0180 -13.0180 -12.9983 -12.9983 -12.9852 -12.9852 -12.9640 -12.9640 -0.1476 -0.1476 1.7087 1.7087 2.5713 2.5713 4.7184 4.7184 5.7832 5.7832 6.1767 6.1767 6.8532 6.8532 7.0687 7.0687 7.3995 7.3995 7.6321 7.6321 7.8465 7.8465 7.8573 7.8573 8.3512 8.3512 9.9054 9.9054 10.6090 10.6090 10.6202 10.6202 k = 0.4020 0.4585-0.0000 ( 4342 PWs) bands (ev): -33.3529 -33.3529 -33.3514 -33.3514 -14.4170 -14.4170 -14.4080 -14.4080 -13.0180 -13.0180 -12.9977 -12.9977 -12.9857 -12.9857 -12.9641 -12.9641 -0.1401 -0.1401 1.7382 1.7382 2.4895 2.4895 4.8243 4.8243 5.7805 5.7805 6.0923 6.0923 6.8584 6.8584 7.0436 7.0436 7.4199 7.4199 7.6450 7.6450 7.8392 7.8392 7.8601 7.8601 8.3935 8.3935 9.9186 9.9186 10.5735 10.5735 10.6017 10.6017 k = 0.3922 0.4755-0.0000 ( 4346 PWs) bands (ev): -33.3528 -33.3528 -33.3515 -33.3515 -14.4165 -14.4165 -14.4085 -14.4085 -13.0181 -13.0181 -12.9971 -12.9971 -12.9862 -12.9862 -12.9642 -12.9642 -0.1327 -0.1327 1.7705 1.7705 2.4103 2.4103 4.9299 4.9299 5.7779 5.7779 6.0065 6.0065 6.8668 6.8668 7.0177 7.0177 7.4445 7.4445 7.6584 7.6584 7.8239 7.8239 7.8567 7.8567 8.4355 8.4355 9.9457 9.9457 10.5399 10.5399 10.5844 10.5844 k = 0.3824 0.4924-0.0000 ( 4336 PWs) bands (ev): -33.3527 -33.3527 -33.3516 -33.3516 -14.4160 -14.4160 -14.4091 -14.4091 -13.0181 -13.0181 -12.9964 -12.9964 -12.9868 -12.9868 -12.9643 -12.9643 -0.1256 -0.1256 1.8056 1.8056 2.3343 2.3343 5.0343 5.0343 5.7755 5.7755 5.9203 5.9203 6.8772 6.8772 6.9924 6.9924 7.4729 7.4729 7.6720 7.6720 7.8084 7.8084 7.8410 7.8410 8.4760 8.4760 9.9845 9.9845 10.5111 10.5111 10.5687 10.5687 k = 0.3725 0.5094-0.0000 ( 4348 PWs) bands (ev): -33.3526 -33.3526 -33.3517 -33.3517 -14.4154 -14.4154 -14.4097 -14.4097 -13.0182 -13.0182 -12.9958 -12.9958 -12.9874 -12.9874 -12.9644 -12.9644 -0.1190 -0.1190 1.8434 1.8434 2.2620 2.2620 5.1368 5.1368 5.7734 5.7734 5.8345 5.8345 6.8883 6.8883 6.9690 6.9690 7.5044 7.5044 7.6856 7.6856 7.7929 7.7929 7.8146 7.8146 8.5135 8.5135 10.0306 10.0306 10.4912 10.4912 10.5552 10.5552 k = 0.3627 0.5264-0.0000 ( 4342 PWs) bands (ev): -33.3525 -33.3525 -33.3518 -33.3518 -14.4148 -14.4148 -14.4104 -14.4104 -13.0182 -13.0182 -12.9952 -12.9952 -12.9879 -12.9879 -12.9644 -12.9644 -0.1133 -0.1133 1.8838 1.8838 2.1941 2.1941 5.2362 5.2362 5.7496 5.7496 5.7717 5.7717 6.8986 6.8986 6.9490 6.9490 7.5388 7.5388 7.6991 7.6991 7.7774 7.7774 7.7804 7.7804 8.5463 8.5463 10.0772 10.0772 10.4863 10.4863 10.5442 10.5442 k = 0.3529 0.5434-0.0000 ( 4330 PWs) bands (ev): -33.3524 -33.3524 -33.3519 -33.3519 -14.4141 -14.4141 -14.4110 -14.4110 -13.0182 -13.0182 -12.9946 -12.9946 -12.9885 -12.9885 -12.9645 -12.9645 -0.1087 -0.1087 1.9267 1.9267 2.1311 2.1311 5.3314 5.3314 5.6661 5.6661 5.7704 5.7704 6.9059 6.9059 6.9349 6.9349 7.5755 7.5755 7.7121 7.7121 7.7395 7.7395 7.7638 7.7638 8.5725 8.5725 10.1150 10.1150 10.5042 10.5042 10.5362 10.5362 k = 0.3431 0.5604-0.0000 ( 4330 PWs) bands (ev): -33.3523 -33.3523 -33.3520 -33.3520 -14.4134 -14.4134 -14.4117 -14.4117 -13.0182 -13.0182 -12.9942 -12.9942 -12.9889 -12.9889 -12.9645 -12.9645 -0.1058 -0.1058 1.9716 1.9716 2.0738 2.0738 5.4212 5.4212 5.5842 5.5842 5.7696 5.7696 6.9069 6.9069 6.9299 6.9299 7.6142 7.6142 7.6963 7.6963 7.7251 7.7251 7.7505 7.7505 8.5899 8.5899 10.1367 10.1367 10.5312 10.5312 10.5505 10.5505 k = 0.3333 0.5774-0.0000 ( 4326 PWs) bands (ev): -33.3521 -33.3521 -33.3521 -33.3521 -14.4130 -14.4130 -14.4121 -14.4121 -13.0182 -13.0182 -12.9940 -12.9940 -12.9890 -12.9890 -12.9645 -12.9645 -0.1047 -0.1047 2.0098 2.0098 2.0314 2.0314 5.5008 5.5008 5.5076 5.5076 5.7693 5.7693 6.9057 6.9057 6.9299 6.9299 7.6538 7.6538 7.6550 7.6550 7.7343 7.7343 7.7408 7.7408 8.5962 8.5962 10.1429 10.1429 10.5295 10.5295 10.6178 10.6178 k = 0.3333 0.5774-0.0000 ( 4326 PWs) bands (ev): -33.3521 -33.3521 -33.3521 -33.3521 -14.4130 -14.4130 -14.4121 -14.4121 -13.0182 -13.0182 -12.9940 -12.9940 -12.9890 -12.9890 -12.9645 -12.9645 -0.1047 -0.1047 2.0098 2.0098 2.0314 2.0314 5.5008 5.5008 5.5076 5.5076 5.7693 5.7693 6.9057 6.9057 6.9299 6.9299 7.6538 7.6538 7.6550 7.6550 7.7343 7.7343 7.7408 7.7408 8.5962 8.5962 10.1429 10.1429 10.5295 10.5295 10.6178 10.6178 k = 0.3235 0.5604-0.0000 ( 4328 PWs) bands (ev): -33.3523 -33.3523 -33.3520 -33.3520 -14.4135 -14.4135 -14.4117 -14.4117 -13.0182 -13.0182 -12.9942 -12.9942 -12.9888 -12.9888 -12.9645 -12.9645 -0.1059 -0.1059 1.9737 1.9737 2.0718 2.0718 5.4263 5.4263 5.5787 5.5787 5.7696 5.7696 6.9069 6.9069 6.9299 6.9299 7.6161 7.6161 7.6953 7.6953 7.7260 7.7260 7.7496 7.7496 8.5894 8.5894 10.1388 10.1388 10.5312 10.5312 10.5489 10.5489 k = 0.3137 0.5434-0.0000 ( 4328 PWs) bands (ev): -33.3524 -33.3524 -33.3519 -33.3519 -14.4142 -14.4142 -14.4109 -14.4109 -13.0182 -13.0182 -12.9947 -12.9947 -12.9884 -12.9884 -12.9645 -12.9645 -0.1096 -0.1096 1.9352 1.9352 2.1233 2.1233 5.3509 5.3509 5.6430 5.6430 5.7705 5.7705 6.9022 6.9022 6.9377 6.9377 7.5846 7.5846 7.7161 7.7161 7.7364 7.7364 7.7602 7.7602 8.5684 8.5684 10.1300 10.1300 10.4946 10.4946 10.5361 10.5361 k = 0.3039 0.5264-0.0000 ( 4332 PWs) bands (ev): -33.3525 -33.3525 -33.3517 -33.3517 -14.4150 -14.4150 -14.4101 -14.4101 -13.0182 -13.0182 -12.9954 -12.9954 -12.9877 -12.9877 -12.9644 -12.9644 -0.1161 -0.1161 1.9034 1.9034 2.1770 2.1770 5.2782 5.2782 5.6961 5.6961 5.7721 5.7721 6.8832 6.8832 6.9617 6.9617 7.5620 7.5620 7.7080 7.7080 7.7702 7.7702 7.7757 7.7757 8.5338 8.5338 10.1200 10.1200 10.4612 10.4612 10.5440 10.5440 k = 0.2941 0.5094-0.0000 ( 4340 PWs) bands (ev): -33.3527 -33.3527 -33.3516 -33.3516 -14.4158 -14.4158 -14.4093 -14.4093 -13.0182 -13.0182 -12.9962 -12.9962 -12.9869 -12.9869 -12.9643 -12.9643 -0.1257 -0.1257 1.8789 1.8789 2.2326 2.2326 5.2082 5.2082 5.7372 5.7372 5.7744 5.7744 6.8524 6.8524 6.9994 6.9994 7.5495 7.5495 7.7014 7.7014 7.7797 7.7797 7.8110 7.8110 8.4883 8.4883 10.1108 10.1108 10.4484 10.4484 10.5544 10.5544 k = 0.2843 0.4924-0.0000 ( 4342 PWs) bands (ev): -33.3528 -33.3528 -33.3515 -33.3515 -14.4166 -14.4166 -14.4084 -14.4084 -13.0181 -13.0181 -12.9972 -12.9972 -12.9860 -12.9860 -12.9643 -12.9643 -0.1384 -0.1384 1.8618 1.8618 2.2896 2.2896 5.1412 5.1412 5.7661 5.7661 5.7776 5.7776 6.8116 6.8116 7.0492 7.0492 7.5468 7.5468 7.6966 7.6966 7.7885 7.7885 7.8385 7.8385 8.4377 8.4377 10.1036 10.1036 10.4545 10.4545 10.5665 10.5665 k = 0.2745 0.4755-0.0000 ( 4342 PWs) bands (ev): -33.3530 -33.3530 -33.3514 -33.3514 -14.4175 -14.4175 -14.4075 -14.4075 -13.0181 -13.0181 -12.9982 -12.9982 -12.9850 -12.9850 -12.9642 -12.9642 -0.1542 -0.1542 1.8522 1.8522 2.3478 2.3478 5.0774 5.0774 5.7793 5.7793 5.7859 5.7859 6.7627 6.7627 7.1094 7.1094 7.5528 7.5528 7.6937 7.6937 7.7969 7.7969 7.8518 7.8518 8.3910 8.3910 10.0992 10.0992 10.4767 10.4767 10.5789 10.5789 k = 0.2647 0.4585-0.0000 ( 4348 PWs) bands (ev): -33.3531 -33.3531 -33.3512 -33.3512 -14.4183 -14.4183 -14.4066 -14.4066 -13.0181 -13.0181 -12.9992 -12.9992 -12.9840 -12.9840 -12.9641 -12.9641 -0.1731 -0.1731 1.8503 1.8503 2.4071 2.4071 5.0171 5.0171 5.7836 5.7836 5.7936 5.7936 6.7077 6.7077 7.1771 7.1771 7.5658 7.5658 7.6927 7.6927 7.8049 7.8049 7.8437 7.8437 8.3596 8.3596 10.0980 10.0980 10.5121 10.5121 10.5897 10.5897 k = 0.2549 0.4415-0.0000 ( 4344 PWs) bands (ev): -33.3533 -33.3533 -33.3511 -33.3511 -14.4192 -14.4192 -14.4057 -14.4057 -13.0180 -13.0180 -13.0002 -13.0002 -12.9830 -12.9830 -12.9639 -12.9639 -0.1950 -0.1950 1.8557 1.8557 2.4670 2.4670 4.9605 4.9605 5.7864 5.7864 5.7949 5.7949 6.6484 6.6484 7.2474 7.2474 7.5840 7.5840 7.6938 7.6938 7.8113 7.8113 7.8129 7.8129 8.3519 8.3519 10.1004 10.1004 10.5572 10.5572 10.5959 10.5959 k = 0.2451 0.4245-0.0000 ( 4348 PWs) bands (ev): -33.3534 -33.3534 -33.3509 -33.3509 -14.4200 -14.4200 -14.4048 -14.4048 -13.0180 -13.0180 -13.0013 -13.0013 -12.9820 -12.9820 -12.9638 -12.9638 -0.2194 -0.2194 1.8684 1.8684 2.5272 2.5272 4.9079 4.9079 5.7819 5.7819 5.7971 5.7971 6.5864 6.5864 7.3103 7.3103 7.6058 7.6058 7.6967 7.6967 7.7659 7.7659 7.8205 7.8205 8.3682 8.3682 10.1064 10.1064 10.5918 10.5918 10.6109 10.6109 k = 0.2353 0.4075-0.0000 ( 4342 PWs) bands (ev): -33.3535 -33.3535 -33.3508 -33.3508 -14.4209 -14.4209 -14.4039 -14.4039 -13.0180 -13.0180 -13.0023 -13.0023 -12.9810 -12.9810 -12.9636 -12.9636 -0.2463 -0.2463 1.8880 1.8880 2.5874 2.5874 4.8596 4.8596 5.7692 5.7692 5.8023 5.8023 6.5230 6.5230 7.3442 7.3442 7.6297 7.6297 7.7012 7.7012 7.7354 7.7354 7.8285 7.8285 8.4026 8.4026 10.1160 10.1160 10.5763 10.5764 10.6668 10.6668 k = 0.2255 0.3906-0.0000 ( 4348 PWs) bands (ev): -33.3537 -33.3537 -33.3507 -33.3507 -14.4217 -14.4217 -14.4030 -14.4030 -13.0180 -13.0180 -13.0034 -13.0034 -12.9800 -12.9800 -12.9635 -12.9635 -0.2751 -0.2751 1.9142 1.9142 2.6472 2.6472 4.8158 4.8158 5.7514 5.7514 5.8085 5.8085 6.4593 6.4593 7.3213 7.3213 7.6546 7.6546 7.7096 7.7096 7.7515 7.7515 7.8369 7.8369 8.4490 8.4490 10.1290 10.1290 10.5437 10.5437 10.7240 10.7240 k = 0.2157 0.3736-0.0000 ( 4356 PWs) bands (ev): -33.3539 -33.3539 -33.3505 -33.3505 -14.4225 -14.4225 -14.4020 -14.4020 -13.0179 -13.0179 -13.0044 -13.0044 -12.9789 -12.9789 -12.9633 -12.9633 -0.3056 -0.3056 1.9467 1.9467 2.7060 2.7060 4.7770 4.7770 5.7298 5.7298 5.8153 5.8153 6.3960 6.3960 7.2455 7.2455 7.6799 7.6799 7.7208 7.7208 7.8155 7.8155 7.8462 7.8462 8.5033 8.5033 10.1446 10.1446 10.4940 10.4940 10.6161 10.6161 k = 0.2059 0.3566-0.0000 ( 4356 PWs) bands (ev): -33.3540 -33.3540 -33.3504 -33.3504 -14.4233 -14.4233 -14.4011 -14.4011 -13.0179 -13.0179 -13.0055 -13.0055 -12.9780 -12.9780 -12.9630 -12.9630 -0.3373 -0.3373 1.9849 1.9849 2.7634 2.7634 4.7434 4.7434 5.7052 5.7052 5.8225 5.8225 6.3336 6.3336 7.1412 7.1412 7.7042 7.7042 7.7339 7.7339 7.8556 7.8556 7.9078 7.9078 8.5628 8.5628 10.1607 10.1607 10.4296 10.4296 10.5057 10.5057 k = 0.1961 0.3396-0.0000 ( 4358 PWs) bands (ev): -33.3541 -33.3541 -33.3503 -33.3503 -14.4241 -14.4241 -14.4002 -14.4002 -13.0179 -13.0179 -13.0065 -13.0065 -12.9770 -12.9770 -12.9628 -12.9628 -0.3698 -0.3698 2.0285 2.0285 2.8188 2.8188 4.7155 4.7155 5.6780 5.6780 5.8300 5.8300 6.2728 6.2728 7.0239 7.0239 7.7267 7.7267 7.7492 7.7492 7.8668 7.8668 8.0129 8.0129 8.6261 8.6261 10.1707 10.1707 10.3548 10.3548 10.4084 10.4084 k = 0.1863 0.3226-0.0000 ( 4362 PWs) bands (ev): -33.3543 -33.3543 -33.3502 -33.3502 -14.4249 -14.4249 -14.3993 -14.3993 -13.0179 -13.0179 -13.0075 -13.0075 -12.9760 -12.9760 -12.9626 -12.9626 -0.4027 -0.4027 2.0772 2.0772 2.8718 2.8718 4.6937 4.6937 5.6484 5.6484 5.8378 5.8378 6.2139 6.2139 6.9010 6.9010 7.7466 7.7466 7.7667 7.7667 7.8792 7.8792 8.1255 8.1255 8.6920 8.6920 10.1539 10.1539 10.2755 10.2755 10.3398 10.3398 k = 0.1765 0.3057-0.0000 ( 4364 PWs) bands (ev): -33.3544 -33.3544 -33.3500 -33.3500 -14.4256 -14.4256 -14.3985 -14.3985 -13.0178 -13.0178 -13.0084 -13.0084 -12.9751 -12.9751 -12.9623 -12.9623 -0.4358 -0.4358 2.1304 2.1304 2.9218 2.9218 4.6782 4.6782 5.6166 5.6166 5.8457 5.8457 6.1572 6.1572 6.7761 6.7761 7.7632 7.7632 7.7865 7.7865 7.8931 7.8931 8.2425 8.2425 8.7599 8.7599 10.0920 10.0920 10.1909 10.1909 10.2449 10.2449 k = 0.1667 0.2887-0.0000 ( 4362 PWs) bands (ev): -33.3545 -33.3545 -33.3499 -33.3499 -14.4264 -14.4264 -14.3976 -14.3976 -13.0178 -13.0178 -13.0094 -13.0094 -12.9743 -12.9743 -12.9620 -12.9620 -0.4686 -0.4686 2.1878 2.1878 2.9682 2.9682 4.6694 4.6694 5.5824 5.5824 5.8536 5.8536 6.1029 6.1029 6.6518 6.6518 7.7754 7.7754 7.8086 7.8086 7.9087 7.9087 8.3620 8.3620 8.8293 8.8293 10.0086 10.0086 10.1015 10.1015 10.1439 10.1439 k = 0.1569 0.2717-0.0000 ( 4358 PWs) bands (ev): -33.3547 -33.3547 -33.3498 -33.3498 -14.4270 -14.4270 -14.3968 -14.3968 -13.0178 -13.0178 -13.0102 -13.0102 -12.9735 -12.9735 -12.9617 -12.9617 -0.5009 -0.5009 2.2491 2.2491 3.0107 3.0107 4.6674 4.6674 5.5455 5.5455 5.8615 5.8615 6.0514 6.0514 6.5299 6.5299 7.7824 7.7824 7.8333 7.8333 7.9261 7.9261 8.4827 8.4827 8.8999 8.8999 9.9233 9.9233 10.0097 10.0097 10.0435 10.0435 k = 0.1471 0.2547-0.0000 ( 4350 PWs) bands (ev): -33.3547 -33.3547 -33.3497 -33.3497 -14.4277 -14.4277 -14.3960 -14.3960 -13.0178 -13.0178 -13.0111 -13.0111 -12.9727 -12.9727 -12.9614 -12.9614 -0.5323 -0.5323 2.3137 2.3137 3.0488 3.0488 4.6722 4.6722 5.5054 5.5054 5.8693 5.8693 6.0027 6.0027 6.4124 6.4124 7.7832 7.7832 7.8607 7.8607 7.9457 7.9457 8.6035 8.6035 8.9716 8.9716 9.8427 9.8427 9.9169 9.9169 9.9442 9.9442 k = 0.1373 0.2377-0.0000 ( 4346 PWs) bands (ev): -33.3548 -33.3548 -33.3495 -33.3495 -14.4283 -14.4283 -14.3953 -14.3953 -13.0178 -13.0178 -13.0119 -13.0119 -12.9720 -12.9720 -12.9610 -12.9610 -0.5627 -0.5627 2.3814 2.3814 3.0824 3.0824 4.6837 4.6837 5.4612 5.4612 5.8767 5.8767 5.9572 5.9572 6.3007 6.3007 7.7773 7.7773 7.8906 7.8906 7.9676 7.9676 8.7229 8.7229 9.0448 9.0448 9.7691 9.7691 9.8237 9.8237 9.8463 9.8463 k = 0.1275 0.2208-0.0000 ( 4340 PWs) bands (ev): -33.3550 -33.3550 -33.3494 -33.3494 -14.4289 -14.4289 -14.3945 -14.3945 -13.0179 -13.0179 -13.0126 -13.0126 -12.9714 -12.9714 -12.9606 -12.9606 -0.5918 -0.5918 2.4517 2.4517 3.1114 3.1114 4.7016 4.7016 5.4120 5.4120 5.8830 5.8830 5.9156 5.9156 6.1969 6.1969 7.7644 7.7644 7.9230 7.9230 7.9919 7.9919 8.8390 8.8390 9.1202 9.1202 9.7032 9.7032 9.7313 9.7313 9.7506 9.7506 k = 0.1176 0.2038-0.0000 ( 4344 PWs) bands (ev): -33.3551 -33.3551 -33.3493 -33.3493 -14.4295 -14.4295 -14.3939 -14.3939 -13.0179 -13.0179 -13.0133 -13.0133 -12.9708 -12.9708 -12.9602 -12.9602 -0.6195 -0.6195 2.5241 2.5241 3.1359 3.1359 4.7252 4.7252 5.3570 5.3570 5.8717 5.8717 5.8943 5.8943 6.1025 6.1025 7.7444 7.7444 7.9579 7.9579 8.0188 8.0188 8.9489 8.9489 9.1996 9.1996 9.6350 9.6350 9.6446 9.6446 9.6633 9.6633 k = 0.1078 0.1868-0.0000 ( 4344 PWs) bands (ev): -33.3552 -33.3552 -33.3492 -33.3492 -14.4300 -14.4300 -14.3932 -14.3932 -13.0179 -13.0179 -13.0140 -13.0140 -12.9703 -12.9703 -12.9598 -12.9598 -0.6455 -0.6455 2.5982 2.5982 3.1561 3.1561 4.7538 4.7538 5.2955 5.2955 5.8372 5.8372 5.8986 5.8986 6.0194 6.0194 7.7177 7.7177 7.9953 7.9953 8.0483 8.0483 9.0492 9.0492 9.2852 9.2852 9.5466 9.5466 9.5581 9.5581 9.6087 9.6087 k = 0.0980 0.1698-0.0000 ( 4343 PWs) bands (ev): -33.3552 -33.3552 -33.3492 -33.3492 -14.4305 -14.4305 -14.3926 -14.3926 -13.0179 -13.0179 -13.0145 -13.0145 -12.9699 -12.9699 -12.9594 -12.9594 -0.6697 -0.6697 2.6733 2.6733 3.1725 3.1725 4.7862 4.7862 5.2275 5.2275 5.8044 5.8044 5.9015 5.9015 5.9503 5.9503 7.6851 7.6851 8.0350 8.0350 8.0805 8.0805 9.1366 9.1366 9.3770 9.3770 9.4600 9.4600 9.4685 9.4685 9.5707 9.5707 k = 0.0882 0.1528-0.0000 ( 4355 PWs) bands (ev): -33.3553 -33.3553 -33.3491 -33.3491 -14.4309 -14.4309 -14.3921 -14.3921 -13.0180 -13.0180 -13.0150 -13.0150 -12.9695 -12.9695 -12.9590 -12.9590 -0.6919 -0.6919 2.7488 2.7488 3.1854 3.1854 4.8214 4.8214 5.1538 5.1538 5.7744 5.7744 5.8786 5.8786 5.9188 5.9188 7.6477 7.6477 8.0770 8.0770 8.1154 8.1154 9.2102 9.2102 9.3654 9.3654 9.3804 9.3804 9.4874 9.4874 9.5421 9.5421 k = 0.0784 0.1358-0.0000 ( 4355 PWs) bands (ev): -33.3554 -33.3554 -33.3490 -33.3490 -14.4313 -14.4313 -14.3916 -14.3916 -13.0181 -13.0181 -13.0155 -13.0155 -12.9692 -12.9692 -12.9587 -12.9587 -0.7121 -0.7121 2.8239 2.8239 3.1953 3.1953 4.8581 4.8581 5.0760 5.0760 5.7471 5.7471 5.8337 5.8337 5.9204 5.9204 7.6070 7.6070 8.1210 8.1210 8.1528 8.1528 9.2661 9.2661 9.2820 9.2820 9.3006 9.3006 9.5210 9.5210 9.5946 9.5946 k = 0.0686 0.1189-0.0000 ( 4351 PWs) bands (ev): -33.3555 -33.3555 -33.3490 -33.3490 -14.4317 -14.4317 -14.3911 -14.3911 -13.0181 -13.0181 -13.0159 -13.0159 -12.9689 -12.9689 -12.9583 -12.9583 -0.7302 -0.7302 2.8975 2.8975 3.2028 3.2028 4.8948 4.8948 4.9964 4.9964 5.7225 5.7225 5.7963 5.7963 5.9244 5.9244 7.5646 7.5646 8.1669 8.1669 8.1926 8.1926 9.1991 9.1991 9.2090 9.2090 9.3272 9.3272 9.5064 9.5064 9.7057 9.7057 k = 0.0588 0.1019-0.0000 ( 4359 PWs) bands (ev): -33.3555 -33.3555 -33.3489 -33.3489 -14.4320 -14.4320 -14.3907 -14.3907 -13.0182 -13.0182 -13.0162 -13.0162 -12.9687 -12.9687 -12.9580 -12.9580 -0.7460 -0.7460 2.9683 2.9683 3.2083 3.2083 4.9170 4.9170 4.9308 4.9308 5.7005 5.7005 5.7676 5.7676 5.9283 5.9283 7.5225 7.5225 8.2143 8.2143 8.2344 8.2344 9.1197 9.1197 9.1303 9.1303 9.3699 9.3699 9.4970 9.4970 9.8169 9.8169 k = 0.0490 0.0849-0.0000 ( 4359 PWs) bands (ev): -33.3556 -33.3556 -33.3489 -33.3489 -14.4323 -14.4323 -14.3904 -14.3904 -13.0183 -13.0183 -13.0164 -13.0164 -12.9685 -12.9685 -12.9577 -12.9577 -0.7594 -0.7594 3.0345 3.0345 3.2123 3.2123 4.8425 4.8425 4.9629 4.9629 5.6814 5.6814 5.7464 5.7464 5.9318 5.9318 7.4825 7.4825 8.2626 8.2626 8.2776 8.2776 9.0441 9.0441 9.0552 9.0552 9.4054 9.4054 9.4916 9.4916 9.9253 9.9253 k = 0.0392 0.0679-0.0000 ( 4353 PWs) bands (ev): -33.3556 -33.3556 -33.3488 -33.3488 -14.4325 -14.4325 -14.3901 -14.3901 -13.0184 -13.0184 -13.0166 -13.0166 -12.9683 -12.9683 -12.9575 -12.9575 -0.7706 -0.7706 3.0942 3.0942 3.2151 3.2151 4.7744 4.7744 4.9914 4.9914 5.6654 5.6654 5.7313 5.7313 5.9348 5.9348 7.4465 7.4465 8.3107 8.3107 8.3213 8.3213 8.9735 8.9735 8.9852 8.9852 9.4337 9.4337 9.4892 9.4892 10.0280 10.0280 k = 0.0294 0.0509-0.0000 ( 4359 PWs) bands (ev): -33.3557 -33.3557 -33.3488 -33.3488 -14.4326 -14.4326 -14.3899 -14.3899 -13.0185 -13.0185 -13.0167 -13.0167 -12.9682 -12.9682 -12.9573 -12.9573 -0.7792 -0.7792 3.1447 3.1447 3.2173 3.2173 4.7163 4.7163 5.0148 5.0148 5.6529 5.6529 5.7210 5.7210 5.9372 5.9372 7.4163 7.4163 8.3566 8.3566 8.3638 8.3638 8.9097 8.9097 8.9225 8.9225 9.4549 9.4549 9.4890 9.4890 10.1208 10.1208 k = 0.0196 0.0340-0.0000 ( 4367 PWs) bands (ev): -33.3557 -33.3557 -33.3488 -33.3488 -14.4328 -14.4328 -14.3898 -14.3898 -13.0186 -13.0186 -13.0168 -13.0168 -12.9681 -12.9681 -12.9571 -12.9571 -0.7855 -0.7855 3.1827 3.1827 3.2196 3.2196 4.6716 4.6716 5.0321 5.0321 5.6439 5.6439 5.7144 5.7144 5.9389 5.9389 7.3935 7.3935 8.3966 8.3966 8.4022 8.4022 8.8560 8.8560 8.8703 8.8703 9.4687 9.4687 9.4908 9.4908 10.1977 10.1977 k = 0.0098 0.0170-0.0000 ( 4375 PWs) bands (ev): -33.3558 -33.3558 -33.3488 -33.3488 -14.4328 -14.4328 -14.3897 -14.3897 -13.0186 -13.0186 -13.0169 -13.0169 -12.9681 -12.9681 -12.9571 -12.9571 -0.7892 -0.7892 3.2041 3.2041 3.2237 3.2237 4.6432 4.6432 5.0428 5.0428 5.6386 5.6386 5.7107 5.7107 5.9399 5.9399 7.3793 7.3793 8.4250 8.4250 8.4312 8.4312 8.8184 8.8184 8.8341 8.8341 9.4754 9.4754 9.4937 9.4937 10.2503 10.2503 k = 0.0000 0.0000 0.0000 ( 4367 PWs) bands (ev): -33.3557 -33.3557 -33.3488 -33.3488 -14.4329 -14.4329 -14.3897 -14.3897 -13.0186 -13.0186 -13.0169 -13.0169 -12.9681 -12.9681 -12.9570 -12.9570 -0.7905 -0.7905 3.2093 3.2093 3.2272 3.2272 4.6335 4.6335 5.0464 5.0464 5.6368 5.6368 5.7095 5.7095 5.9402 5.9402 7.3745 7.3745 8.4355 8.4355 8.4424 8.4424 8.8044 8.8044 8.8209 8.8209 9.4772 9.4772 9.4951 9.4951 10.2693 10.2693 k = 0.0000 0.0000 0.0000 ( 4367 PWs) bands (ev): -33.3557 -33.3557 -33.3488 -33.3488 -14.4329 -14.4329 -14.3897 -14.3897 -13.0186 -13.0186 -13.0169 -13.0169 -12.9681 -12.9681 -12.9570 -12.9570 -0.7905 -0.7905 3.2093 3.2093 3.2272 3.2272 4.6335 4.6335 5.0464 5.0464 5.6368 5.6368 5.7095 5.7095 5.9402 5.9402 7.3745 7.3745 8.4355 8.4355 8.4424 8.4424 8.8044 8.8044 8.8209 8.8209 9.4772 9.4772 9.4951 9.4951 10.2693 10.2693 k = 0.0000 0.0000 0.0196 ( 4367 PWs) bands (ev): -33.3557 -33.3557 -33.3488 -33.3488 -14.4329 -14.4329 -14.3897 -14.3897 -13.0187 -13.0187 -13.0169 -13.0169 -12.9681 -12.9681 -12.9570 -12.9570 -0.7890 -0.7890 3.2105 3.2105 3.2284 3.2284 4.6353 4.6353 5.0319 5.0319 5.6371 5.6371 5.7096 5.7096 5.9440 5.9440 7.3885 7.3885 8.4201 8.4201 8.4270 8.4270 8.7980 8.7980 8.8145 8.8145 9.4918 9.4918 9.5098 9.5098 10.2707 10.2707 k = 0.0000 0.0000 0.0391 ( 4367 PWs) bands (ev): -33.3557 -33.3557 -33.3488 -33.3488 -14.4328 -14.4328 -14.3898 -14.3898 -13.0187 -13.0187 -13.0167 -13.0167 -12.9684 -12.9684 -12.9571 -12.9571 -0.7844 -0.7844 3.2140 3.2140 3.2319 3.2319 4.6405 4.6405 4.9899 4.9899 5.6381 5.6381 5.7097 5.7097 5.9548 5.9548 7.4296 7.4296 8.3762 8.3762 8.3834 8.3834 8.7791 8.7791 8.7956 8.7956 9.5333 9.5333 9.5515 9.5515 10.2748 10.2748 k = 0.0000 0.0000 0.0587 ( 4373 PWs) bands (ev): -33.3557 -33.3557 -33.3488 -33.3488 -14.4328 -14.4328 -14.3900 -14.3900 -13.0189 -13.0189 -13.0165 -13.0165 -12.9688 -12.9688 -12.9572 -12.9572 -0.7767 -0.7767 3.2199 3.2199 3.2377 3.2377 4.6492 4.6492 4.9241 4.9241 5.6394 5.6394 5.7098 5.7098 5.9713 5.9713 7.4956 7.4956 8.3097 8.3097 8.3173 8.3173 8.7486 8.7486 8.7650 8.7650 9.5956 9.5956 9.6142 9.6142 10.2817 10.2817 k = 0.0000 0.0000 0.0783 ( 4361 PWs) bands (ev): -33.3556 -33.3556 -33.3488 -33.3488 -14.4328 -14.4328 -14.3903 -14.3903 -13.0190 -13.0190 -13.0163 -13.0163 -12.9693 -12.9693 -12.9574 -12.9574 -0.7660 -0.7660 3.2281 3.2281 3.2459 3.2459 4.6614 4.6614 4.8388 4.8388 5.6408 5.6408 5.7099 5.7099 5.9924 5.9924 7.5833 7.5833 8.2270 8.2270 8.2353 8.2353 8.7076 8.7076 8.7239 8.7239 9.6724 9.6724 9.6916 9.6916 10.2913 10.2913 k = 0.0000 0.0000 0.0978 ( 4343 PWs) bands (ev): -33.3555 -33.3555 -33.3488 -33.3488 -14.4327 -14.4327 -14.3906 -14.3906 -13.0192 -13.0192 -13.0159 -13.0159 -12.9700 -12.9700 -12.9575 -12.9575 -0.7522 -0.7522 3.2388 3.2388 3.2564 3.2564 4.6770 4.6770 4.7385 4.7385 5.6423 5.6423 5.7099 5.7099 6.0170 6.0170 7.6893 7.6893 8.1333 8.1333 8.1426 8.1426 8.6575 8.6575 8.6738 8.6738 9.7584 9.7584 9.7784 9.7784 10.3036 10.3036 k = 0.0000 0.0000 0.1174 ( 4349 PWs) bands (ev): -33.3555 -33.3555 -33.3488 -33.3488 -14.4326 -14.4326 -14.3910 -14.3910 -13.0195 -13.0195 -13.0155 -13.0155 -12.9708 -12.9708 -12.9578 -12.9578 -0.7354 -0.7354 3.2517 3.2517 3.2692 3.2692 4.6269 4.6269 4.6961 4.6961 5.6438 5.6438 5.7099 5.7099 6.0445 6.0445 7.8101 7.8101 8.0324 8.0324 8.0429 8.0429 8.5998 8.5998 8.6161 8.6161 9.8497 9.8497 9.8707 9.8707 10.3186 10.3186 k = 0.0000 0.0000 0.1370 ( 4343 PWs) bands (ev): -33.3554 -33.3554 -33.3488 -33.3488 -14.4326 -14.4326 -14.3915 -14.3915 -13.0198 -13.0198 -13.0150 -13.0150 -12.9717 -12.9717 -12.9580 -12.9580 -0.7155 -0.7155 3.2670 3.2670 3.2843 3.2843 4.5068 4.5068 4.7186 4.7186 5.6451 5.6451 5.7096 5.7096 6.0747 6.0747 7.9264 7.9264 7.9390 7.9390 7.9435 7.9435 8.5360 8.5360 8.5524 8.5524 9.9437 9.9437 9.9658 9.9658 10.3363 10.3363 k = 0.0000 0.0000 0.1565 ( 4343 PWs) bands (ev): -33.3553 -33.3553 -33.3489 -33.3489 -14.4325 -14.4325 -14.3920 -14.3920 -13.0201 -13.0201 -13.0144 -13.0144 -12.9728 -12.9728 -12.9584 -12.9584 -0.6926 -0.6926 3.2846 3.2846 3.3017 3.3017 4.3806 4.3806 4.7444 4.7444 5.6463 5.6463 5.7089 5.7089 6.1074 6.1074 7.8191 7.8191 7.8328 7.8328 8.0849 8.0849 8.4673 8.4673 8.4838 8.4838 10.0385 10.0385 10.0617 10.0617 10.3565 10.3565 k = 0.0000 0.0000 0.1761 ( 4343 PWs) bands (ev): -33.3552 -33.3552 -33.3489 -33.3489 -14.4324 -14.4324 -14.3927 -14.3927 -13.0205 -13.0205 -13.0138 -13.0138 -12.9740 -12.9740 -12.9587 -12.9587 -0.6667 -0.6667 3.3046 3.3046 3.3215 3.3215 4.2499 4.2499 4.7736 4.7736 5.6471 5.6471 5.7078 5.7078 6.1425 6.1425 7.7101 7.7101 7.7257 7.7257 8.2339 8.2339 8.3948 8.3948 8.4117 8.4117 10.1327 10.1327 10.1572 10.1572 10.3793 10.3793 k = 0.0000 0.0000 0.1957 ( 4331 PWs) bands (ev): -33.3551 -33.3551 -33.3489 -33.3489 -14.4322 -14.4322 -14.3933 -14.3933 -13.0208 -13.0208 -13.0131 -13.0131 -12.9754 -12.9754 -12.9591 -12.9591 -0.6378 -0.6378 3.3269 3.3269 3.3435 3.3435 4.1162 4.1162 4.8061 4.8061 5.6476 5.6476 5.7060 5.7060 6.1800 6.1800 7.6011 7.6011 7.6188 7.6188 8.3197 8.3197 8.3369 8.3369 8.3879 8.3879 10.2255 10.2255 10.2512 10.2512 10.4046 10.4046 k = 0.0000 0.0000 0.2152 ( 4331 PWs) bands (ev): -33.3550 -33.3550 -33.3489 -33.3489 -14.4321 -14.4321 -14.3941 -14.3941 -13.0212 -13.0212 -13.0123 -13.0123 -12.9768 -12.9768 -12.9596 -12.9596 -0.6058 -0.6058 3.3516 3.3516 3.3679 3.3679 3.9804 3.9804 4.8419 4.8419 5.6473 5.6473 5.7032 5.7032 6.2197 6.2197 7.4930 7.4930 7.5131 7.5131 8.2427 8.2427 8.2603 8.2603 8.5450 8.5450 10.3161 10.3161 10.3432 10.3432 10.4322 10.4322 k = 0.0000 0.0000 0.2348 ( 4331 PWs) bands (ev): -33.3549 -33.3549 -33.3490 -33.3490 -14.4319 -14.4319 -14.3949 -14.3949 -13.0216 -13.0216 -13.0115 -13.0115 -12.9783 -12.9783 -12.9601 -12.9601 -0.5709 -0.5709 3.3785 3.3785 3.3945 3.3945 3.8435 3.8435 4.8808 4.8808 5.6462 5.6462 5.6993 5.6993 6.2614 6.2614 7.3867 7.3867 7.4093 7.4093 8.1645 8.1645 8.1827 8.1827 8.7032 8.7032 10.4043 10.4043 10.4326 10.4326 10.4621 10.4621 k = 0.0000 0.0000 0.2544 ( 4343 PWs) bands (ev): -33.3548 -33.3548 -33.3491 -33.3491 -14.4317 -14.4317 -14.3957 -14.3957 -13.0221 -13.0221 -13.0106 -13.0106 -12.9800 -12.9800 -12.9606 -12.9606 -0.5330 -0.5330 3.4078 3.4078 3.4235 3.4235 3.7059 3.7059 4.9229 4.9229 5.6438 5.6438 5.6937 5.6937 6.3048 6.3048 7.2829 7.2829 7.3083 7.3083 8.0856 8.0856 8.1045 8.1045 8.8604 8.8604 10.4897 10.4897 10.4942 10.4942 10.5192 10.5192 k = 0.0000 0.0000 0.2739 ( 4355 PWs) bands (ev): -33.3546 -33.3546 -33.3492 -33.3492 -14.4315 -14.4315 -14.3966 -14.3966 -13.0225 -13.0225 -13.0096 -13.0096 -12.9817 -12.9817 -12.9612 -12.9612 -0.4922 -0.4922 3.4393 3.4393 3.4547 3.4547 3.5682 3.5682 4.9680 4.9680 5.6398 5.6398 5.6862 5.6862 6.3496 6.3496 7.1823 7.1823 7.2108 7.2108 8.0067 8.0067 8.0263 8.0263 9.0135 9.0135 10.5282 10.5282 10.5722 10.5722 10.6029 10.6029 k = 0.0000 0.0000 0.2935 ( 4367 PWs) bands (ev): -33.3546 -33.3546 -33.3492 -33.3492 -14.4313 -14.4313 -14.3976 -14.3976 -13.0228 -13.0228 -13.0086 -13.0086 -12.9834 -12.9834 -12.9618 -12.9618 -0.4484 -0.4484 3.4308 3.4308 3.4732 3.4732 3.4881 3.4881 5.0162 5.0162 5.6337 5.6337 5.6761 5.6761 6.3953 6.3953 7.0858 7.0858 7.1177 7.1177 7.9280 7.9280 7.9485 7.9485 9.1586 9.1586 10.5641 10.5641 10.5845 10.5845 10.6519 10.6519 k = 0.0000 0.0000 0.3131 ( 4373 PWs) bands (ev): -33.3544 -33.3544 -33.3493 -33.3493 -14.4310 -14.4310 -14.3986 -14.3986 -13.0232 -13.0232 -13.0076 -13.0076 -12.9853 -12.9853 -12.9624 -12.9624 -0.4018 -0.4018 3.2940 3.2940 3.5093 3.5093 3.5238 3.5238 5.0672 5.0672 5.6247 5.6247 5.6629 5.6629 6.4414 6.4414 6.9943 6.9943 7.0298 7.0298 7.8499 7.8499 7.8713 7.8713 9.2901 9.2901 10.5235 10.5235 10.6016 10.6016 10.7289 10.7289 k = 0.0000 0.0000 0.3326 ( 4361 PWs) bands (ev): -33.3542 -33.3542 -33.3493 -33.3493 -14.4307 -14.4307 -14.3996 -14.3996 -13.0236 -13.0236 -13.0065 -13.0065 -12.9872 -12.9872 -12.9631 -12.9631 -0.3522 -0.3522 3.1581 3.1581 3.5477 3.5477 3.5618 3.5618 5.1211 5.1211 5.6124 5.6124 5.6459 5.6459 6.4872 6.4872 6.9087 6.9087 6.9479 6.9479 7.7728 7.7728 7.7952 7.7952 9.4002 9.4002 10.4888 10.4888 10.6405 10.6405 10.8032 10.8032 k = 0.0000 0.0000 0.3522 ( 4361 PWs) bands (ev): -33.3541 -33.3541 -33.3494 -33.3494 -14.4304 -14.4304 -14.4006 -14.4006 -13.0239 -13.0239 -13.0053 -13.0053 -12.9891 -12.9891 -12.9639 -12.9639 -0.2997 -0.2997 3.0234 3.0234 3.5883 3.5883 3.6019 3.6019 5.1777 5.1777 5.5957 5.5957 5.6244 5.6244 6.5318 6.5318 6.8301 6.8301 6.8729 6.8729 7.6968 7.6968 7.7202 7.7202 9.4808 9.4808 10.4887 10.4887 10.6803 10.6803 10.8750 10.8750 k = 0.0000 0.0000 0.3718 ( 4337 PWs) bands (ev): -33.3539 -33.3539 -33.3494 -33.3494 -14.4301 -14.4301 -14.4017 -14.4017 -13.0242 -13.0242 -13.0041 -13.0041 -12.9910 -12.9910 -12.9647 -12.9647 -0.2443 -0.2443 2.8899 2.8899 3.6311 3.6311 3.6443 3.6443 5.2370 5.2370 5.5741 5.5741 5.5977 5.5977 6.5739 6.5739 6.7599 6.7599 6.8057 6.8057 7.6221 7.6221 7.6467 7.6467 9.5268 9.5268 10.5282 10.5282 10.7206 10.7206 10.9446 10.9446 k = 0.0000 0.0000 0.3913 ( 4337 PWs) bands (ev): -33.3538 -33.3538 -33.3495 -33.3495 -14.4297 -14.4297 -14.4028 -14.4028 -13.0244 -13.0244 -13.0029 -13.0029 -12.9930 -12.9930 -12.9655 -12.9655 -0.1861 -0.1861 2.7579 2.7579 3.6762 3.6762 3.6888 3.6888 5.2987 5.2987 5.5467 5.5467 5.5654 5.5654 6.6105 6.6105 6.7013 6.7013 6.7469 6.7469 7.5489 7.5489 7.5748 7.5748 9.5415 9.5415 10.6041 10.6041 10.7608 10.7608 11.0122 11.0123 k = 0.0000 0.0000 0.4109 ( 4349 PWs) bands (ev): -33.3536 -33.3536 -33.3496 -33.3496 -14.4293 -14.4293 -14.4040 -14.4040 -13.0246 -13.0246 -13.0016 -13.0016 -12.9950 -12.9950 -12.9664 -12.9664 -0.1251 -0.1251 2.6275 2.6275 3.7234 3.7234 3.7355 3.7355 5.3628 5.3628 5.5129 5.5129 5.5269 5.5269 6.6206 6.6206 6.6747 6.6747 6.6971 6.6971 7.4774 7.4774 7.5045 7.5045 9.5342 9.5342 10.7067 10.7067 10.7998 10.7998 11.0781 11.0781 k = 0.0000 0.0000 0.4305 ( 4349 PWs) bands (ev): -33.3535 -33.3535 -33.3496 -33.3496 -14.4288 -14.4288 -14.4051 -14.4051 -13.0247 -13.0247 -13.0003 -13.0003 -12.9970 -12.9970 -12.9673 -12.9673 -0.0613 -0.0613 2.4988 2.4988 3.7728 3.7728 3.7844 3.7844 5.4292 5.4292 5.4724 5.4724 5.4822 5.4822 6.5889 6.5889 6.6565 6.6565 6.6949 6.6949 7.4076 7.4076 7.4361 7.4361 9.5157 9.5157 10.8251 10.8251 10.8364 10.8364 11.1423 11.1423 k = 0.0000 0.0000 0.4500 ( 4343 PWs) bands (ev): -33.3533 -33.3533 -33.3497 -33.3497 -14.4283 -14.4283 -14.4063 -14.4063 -13.0247 -13.0247 -12.9990 -12.9990 -12.9989 -12.9989 -12.9683 -12.9683 0.0053 0.0053 2.3719 2.3719 3.8244 3.8244 3.8353 3.8353 5.4252 5.4252 5.4316 5.4316 5.4976 5.4976 6.5571 6.5571 6.6250 6.6250 6.7189 6.7189 7.3397 7.3397 7.3697 7.3697 9.4944 9.4944 10.8684 10.8684 10.9502 10.9502 11.2051 11.2051 k = 0.0000 0.0000 0.4696 ( 4343 PWs) bands (ev): -33.3531 -33.3531 -33.3498 -33.3498 -14.4278 -14.4278 -14.4074 -14.4074 -13.0247 -13.0247 -13.0009 -13.0009 -12.9977 -12.9977 -12.9693 -12.9693 0.0747 0.0747 2.2468 2.2468 3.8780 3.8780 3.8883 3.8883 5.3718 5.3718 5.3754 5.3754 5.5679 5.5679 6.5333 6.5333 6.6022 6.6022 6.7375 6.7375 7.2738 7.2738 7.3052 7.3052 9.4763 9.4763 10.8924 10.8924 11.0751 11.0751 11.2666 11.2666 k = 0.0000 0.0000 0.4892 ( 4337 PWs) bands (ev): -33.3529 -33.3529 -33.3499 -33.3499 -14.4273 -14.4273 -14.4086 -14.4086 -13.0246 -13.0246 -13.0028 -13.0028 -12.9963 -12.9963 -12.9703 -12.9703 0.1468 0.1468 2.1238 2.1238 3.9337 3.9337 3.9434 3.9434 5.3128 5.3128 5.3143 5.3143 5.6398 5.6398 6.5179 6.5179 6.5876 6.5876 6.7485 6.7485 7.2099 7.2099 7.2429 7.2429 9.4656 9.4656 10.9032 10.9032 11.1946 11.1946 11.3271 11.3271 k = 0.0000 0.0000 0.5087 ( 4325 PWs) bands (ev): -33.3527 -33.3527 -33.3500 -33.3500 -14.4267 -14.4267 -14.4098 -14.4098 -13.0244 -13.0244 -13.0046 -13.0046 -12.9949 -12.9949 -12.9714 -12.9714 0.2216 0.2216 2.0027 2.0027 3.9915 3.9915 4.0004 4.0004 5.2491 5.2491 5.2491 5.2491 5.7133 5.7133 6.5103 6.5103 6.5805 6.5805 6.7510 6.7510 7.1482 7.1482 7.1828 7.1828 9.4649 9.4649 10.8931 10.8931 11.3044 11.3044 11.3866 11.3866 k = 0.0000 0.0000 0.5283 ( 4325 PWs) bands (ev): -33.3526 -33.3526 -33.3502 -33.3502 -14.4260 -14.4260 -14.4109 -14.4109 -13.0241 -13.0241 -13.0064 -13.0064 -12.9935 -12.9935 -12.9725 -12.9725 0.2991 0.2991 1.8838 1.8838 4.0512 4.0512 4.0595 4.0595 5.1807 5.1807 5.1816 5.1816 5.7878 5.7878 6.5098 6.5098 6.5800 6.5800 6.7444 6.7444 7.0886 7.0886 7.1249 7.1249 9.4759 9.4759 10.8547 10.8547 11.4013 11.4013 11.4451 11.4451 k = 0.0000 0.0000 0.5479 ( 4326 PWs) bands (ev): -33.3524 -33.3524 -33.3503 -33.3503 -14.4253 -14.4253 -14.4121 -14.4121 -13.0237 -13.0237 -13.0082 -13.0082 -12.9921 -12.9921 -12.9736 -12.9736 0.3793 0.3793 1.7670 1.7670 4.1128 4.1128 4.1204 4.1204 5.1099 5.1099 5.1111 5.1111 5.8633 5.8633 6.5154 6.5154 6.5857 6.5857 6.7287 6.7287 7.0314 7.0314 7.0693 7.0693 9.4998 9.4998 10.7857 10.7857 11.4830 11.4830 11.5029 11.5029 k = 0.0000 0.0000 0.5675 ( 4320 PWs) bands (ev): -33.3522 -33.3522 -33.3503 -33.3503 -14.4246 -14.4246 -14.4132 -14.4132 -13.0232 -13.0232 -13.0099 -13.0099 -12.9907 -12.9907 -12.9748 -12.9748 0.4621 0.4621 1.6523 1.6523 4.1763 4.1763 4.1831 4.1831 5.0372 5.0372 5.0385 5.0385 5.9393 5.9393 6.5260 6.5260 6.5967 6.5967 6.7044 6.7044 6.9765 6.9765 7.0160 7.0160 9.5368 9.5368 10.6920 10.6920 11.5109 11.5109 11.5483 11.5483 k = 0.0000 0.0000 0.5870 ( 4320 PWs) bands (ev): -33.3521 -33.3521 -33.3505 -33.3505 -14.4239 -14.4239 -14.4143 -14.4143 -13.0227 -13.0227 -13.0115 -13.0115 -12.9893 -12.9893 -12.9760 -12.9760 0.5475 0.5475 1.5400 1.5400 4.2416 4.2416 4.2477 4.2477 4.9635 4.9635 4.9645 4.9645 6.0155 6.0155 6.5400 6.5400 6.6125 6.6125 6.6729 6.6729 6.9240 6.9240 6.9652 6.9652 9.5867 9.5867 10.5826 10.5826 11.5204 11.5204 11.5973 11.5973 k = 0.0000 0.0000 0.6066 ( 4320 PWs) bands (ev): -33.3519 -33.3519 -33.3506 -33.3506 -14.4231 -14.4231 -14.4154 -14.4154 -13.0220 -13.0220 -13.0130 -13.0130 -12.9879 -12.9879 -12.9772 -12.9772 0.6356 0.6356 1.4299 1.4299 4.3086 4.3086 4.3139 4.3139 4.8891 4.8891 4.8897 4.8897 6.0915 6.0915 6.5525 6.5525 6.6327 6.6327 6.6393 6.6393 6.8740 6.8740 6.9170 6.9170 9.6490 9.6490 10.4655 10.4655 11.5405 11.5405 11.6306 11.6306 k = 0.0000 0.0000 0.6262 ( 4326 PWs) bands (ev): -33.3517 -33.3517 -33.3508 -33.3508 -14.4222 -14.4222 -14.4165 -14.4165 -13.0212 -13.0212 -13.0145 -13.0145 -12.9865 -12.9865 -12.9785 -12.9785 0.7261 0.7261 1.3221 1.3221 4.3773 4.3773 4.3818 4.3818 4.8146 4.8146 4.8146 4.8146 6.1666 6.1666 6.5441 6.5441 6.6234 6.6234 6.6569 6.6569 6.8267 6.8267 6.8712 6.8712 9.7230 9.7230 10.3460 10.3460 11.5656 11.5656 11.6492 11.6492 k = 0.0000 0.0000 0.6457 ( 4338 PWs) bands (ev): -33.3516 -33.3516 -33.3510 -33.3510 -14.4214 -14.4214 -14.4175 -14.4175 -13.0204 -13.0204 -13.0159 -13.0159 -12.9852 -12.9852 -12.9798 -12.9798 0.8193 0.8193 1.2167 1.2167 4.4474 4.4474 4.4511 4.4511 4.7397 4.7397 4.7403 4.7403 6.2403 6.2403 6.5018 6.5018 6.6391 6.6391 6.6847 6.6847 6.7821 6.7821 6.8282 6.8282 9.8075 9.8075 10.2278 10.2278 11.5917 11.5917 11.6549 11.6549 k = 0.0000 0.0000 0.6653 ( 4320 PWs) bands (ev): -33.3514 -33.3514 -33.3511 -33.3511 -14.4205 -14.4205 -14.4185 -14.4185 -13.0194 -13.0194 -13.0171 -13.0171 -12.9838 -12.9838 -12.9811 -12.9811 0.9149 0.9149 1.1137 1.1137 4.5189 4.5189 4.5218 4.5218 4.6652 4.6652 4.6666 4.6666 6.3118 6.3118 6.4444 6.4444 6.6678 6.6678 6.7160 6.7160 6.7405 6.7405 6.7878 6.7878 9.9016 9.9016 10.1131 10.1131 11.6161 11.6161 11.6498 11.6498 k = 0.0000 0.0000 0.6849 ( 4326 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4195 -14.4195 -14.4195 -14.4195 -13.0183 -13.0183 -13.0183 -13.0183 -12.9824 -12.9824 -12.9824 -12.9824 1.0131 1.0131 1.0131 1.0131 4.5915 4.5915 4.5915 4.5915 4.5937 4.5937 4.5937 4.5937 6.3803 6.3803 6.3803 6.3803 6.7022 6.7022 6.7022 6.7022 6.7504 6.7504 6.7504 6.7504 10.0038 10.0038 10.0039 10.0039 11.6362 11.6362 11.6362 11.6362 k = 0.0000 0.0000 0.6849 ( 4326 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4195 -14.4195 -14.4195 -14.4195 -13.0183 -13.0183 -13.0183 -13.0183 -12.9824 -12.9824 -12.9824 -12.9824 1.0131 1.0131 1.0131 1.0131 4.5915 4.5915 4.5915 4.5915 4.5937 4.5937 4.5937 4.5937 6.3803 6.3803 6.3803 6.3803 6.7022 6.7022 6.7022 6.7022 6.7504 6.7504 6.7504 6.7504 10.0038 10.0038 10.0039 10.0039 11.6362 11.6362 11.6362 11.6362 k = 0.0172 0.0100 0.6849 ( 4320 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4195 -14.4195 -14.4195 -14.4195 -13.0183 -13.0183 -13.0183 -13.0183 -12.9824 -12.9824 -12.9824 -12.9824 1.0140 1.0140 1.0141 1.0141 4.5872 4.5872 4.5872 4.5872 4.5925 4.5925 4.5925 4.5925 6.3856 6.3856 6.3857 6.3857 6.7023 6.7023 6.7023 6.7023 6.7505 6.7505 6.7506 6.7506 10.0080 10.0080 10.0080 10.0080 11.6331 11.6331 11.6331 11.6331 k = 0.0345 0.0199 0.6849 ( 4328 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4195 -14.4195 -14.4195 -14.4195 -13.0184 -13.0184 -13.0184 -13.0184 -12.9823 -12.9823 -12.9823 -12.9823 1.0170 1.0170 1.0170 1.0170 4.5721 4.5721 4.5722 4.5722 4.5912 4.5912 4.5912 4.5912 6.4011 6.4011 6.4011 6.4011 6.7020 6.7020 6.7021 6.7021 6.7519 6.7519 6.7520 6.7520 10.0203 10.0203 10.0203 10.0203 11.6246 11.6246 11.6246 11.6246 k = 0.0517 0.0299 0.6849 ( 4312 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4195 -14.4195 -14.4195 -14.4195 -13.0186 -13.0186 -13.0186 -13.0186 -12.9822 -12.9822 -12.9822 -12.9822 1.0218 1.0218 1.0218 1.0218 4.5476 4.5476 4.5476 4.5476 4.5892 4.5892 4.5892 4.5892 6.4246 6.4246 6.4246 6.4246 6.7009 6.7009 6.7009 6.7009 6.7568 6.7568 6.7568 6.7568 10.0405 10.0405 10.0405 10.0405 11.6121 11.6121 11.6121 11.6121 k = 0.0690 0.0398 0.6849 ( 4306 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4196 -14.4196 -14.4196 -14.4196 -13.0189 -13.0189 -13.0189 -13.0189 -12.9819 -12.9819 -12.9819 -12.9819 1.0286 1.0286 1.0286 1.0286 4.5145 4.5145 4.5146 4.5146 4.5865 4.5865 4.5865 4.5865 6.4521 6.4521 6.4521 6.4521 6.7007 6.7007 6.7008 6.7008 6.7667 6.7667 6.7667 6.7667 10.0680 10.0680 10.0680 10.0680 11.5972 11.5972 11.5972 11.5972 k = 0.0862 0.0498 0.6849 ( 4310 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4196 -14.4196 -14.4196 -14.4196 -13.0192 -13.0192 -13.0192 -13.0192 -12.9817 -12.9817 -12.9817 -12.9817 1.0372 1.0372 1.0373 1.0373 4.4742 4.4742 4.4742 4.4742 4.5831 4.5831 4.5831 4.5831 6.4764 6.4764 6.4764 6.4764 6.7078 6.7078 6.7078 6.7078 6.7819 6.7819 6.7819 6.7819 10.1020 10.1020 10.1020 10.1020 11.5809 11.5809 11.5809 11.5809 k = 0.1034 0.0597 0.6849 ( 4318 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4196 -14.4196 -14.4196 -14.4196 -13.0196 -13.0196 -13.0196 -13.0196 -12.9813 -12.9813 -12.9813 -12.9813 1.0477 1.0477 1.0477 1.0477 4.4276 4.4276 4.4277 4.4277 4.5791 4.5791 4.5791 4.5791 6.4884 6.4884 6.4884 6.4884 6.7306 6.7306 6.7306 6.7306 6.8022 6.8022 6.8022 6.8022 10.1418 10.1418 10.1418 10.1418 11.5640 11.5640 11.5640 11.5640 k = 0.1207 0.0697 0.6849 ( 4322 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4197 -14.4197 -14.4197 -14.4197 -13.0200 -13.0200 -13.0200 -13.0200 -12.9810 -12.9810 -12.9810 -12.9810 1.0600 1.0600 1.0600 1.0600 4.3761 4.3761 4.3761 4.3761 4.5746 4.5746 4.5746 4.5746 6.4836 6.4836 6.4836 6.4836 6.7726 6.7726 6.7726 6.7726 6.8282 6.8282 6.8282 6.8282 10.1864 10.1864 10.1864 10.1864 11.5468 11.5468 11.5468 11.5468 k = 0.1379 0.0796 0.6849 ( 4310 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4197 -14.4197 -14.4197 -14.4197 -13.0204 -13.0204 -13.0204 -13.0204 -12.9806 -12.9806 -12.9806 -12.9806 1.0739 1.0739 1.0739 1.0739 4.3207 4.3207 4.3207 4.3207 4.5695 4.5695 4.5695 4.5695 6.4649 6.4649 6.4649 6.4649 6.8246 6.8246 6.8247 6.8247 6.8654 6.8654 6.8654 6.8654 10.2349 10.2349 10.2349 10.2349 11.5292 11.5292 11.5292 11.5292 k = 0.1552 0.0896 0.6849 ( 4320 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4198 -14.4198 -14.4198 -14.4198 -13.0209 -13.0209 -13.0209 -13.0209 -12.9802 -12.9802 -12.9802 -12.9802 1.0895 1.0895 1.0895 1.0895 4.2622 4.2622 4.2622 4.2622 4.5641 4.5641 4.5641 4.5641 6.4373 6.4373 6.4373 6.4373 6.8680 6.8680 6.8680 6.8680 6.9272 6.9272 6.9272 6.9272 10.2862 10.2862 10.2862 10.2862 11.5001 11.5001 11.5001 11.5001 k = 0.1724 0.0995 0.6849 ( 4312 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4198 -14.4198 -14.4198 -14.4198 -13.0214 -13.0214 -13.0214 -13.0214 -12.9797 -12.9797 -12.9797 -12.9797 1.1066 1.1066 1.1066 1.1066 4.2016 4.2016 4.2016 4.2016 4.5583 4.5583 4.5583 4.5583 6.4043 6.4043 6.4044 6.4044 6.9047 6.9047 6.9047 6.9047 7.0076 7.0076 7.0076 7.0076 10.3393 10.3393 10.3394 10.3394 11.4269 11.4269 11.4269 11.4269 k = 0.1897 0.1095 0.6849 ( 4312 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4199 -14.4199 -14.4199 -14.4199 -13.0220 -13.0220 -13.0220 -13.0220 -12.9793 -12.9793 -12.9793 -12.9793 1.1251 1.1251 1.1252 1.1252 4.1395 4.1395 4.1395 4.1395 4.5523 4.5523 4.5523 4.5523 6.3682 6.3682 6.3683 6.3683 6.9417 6.9417 6.9417 6.9417 7.0973 7.0973 7.0973 7.0973 10.3935 10.3935 10.3935 10.3935 11.3442 11.3442 11.3443 11.3443 k = 0.2069 0.1195 0.6849 ( 4314 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4199 -14.4199 -14.4199 -14.4199 -13.0225 -13.0225 -13.0225 -13.0225 -12.9788 -12.9788 -12.9788 -12.9788 1.1450 1.1450 1.1450 1.1450 4.0767 4.0767 4.0767 4.0767 4.5461 4.5461 4.5461 4.5461 6.3304 6.3304 6.3304 6.3304 6.9802 6.9802 6.9802 6.9802 7.1929 7.1929 7.1929 7.1929 10.4477 10.4477 10.4477 10.4477 11.2583 11.2583 11.2583 11.2583 k = 0.2241 0.1294 0.6849 ( 4314 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4200 -14.4200 -14.4200 -14.4200 -13.0231 -13.0231 -13.0231 -13.0231 -12.9783 -12.9783 -12.9783 -12.9783 1.1659 1.1659 1.1660 1.1660 4.0136 4.0136 4.0136 4.0136 4.5398 4.5398 4.5399 4.5399 6.2919 6.2919 6.2919 6.2919 7.0206 7.0206 7.0206 7.0206 7.2931 7.2931 7.2931 7.2931 10.5012 10.5012 10.5012 10.5012 11.1702 11.1702 11.1702 11.1702 k = 0.2414 0.1394 0.6849 ( 4320 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4201 -14.4201 -14.4201 -14.4201 -13.0236 -13.0236 -13.0236 -13.0236 -12.9779 -12.9779 -12.9779 -12.9779 1.1879 1.1879 1.1879 1.1879 3.9509 3.9509 3.9509 3.9509 4.5336 4.5336 4.5336 4.5336 6.2534 6.2534 6.2534 6.2534 7.0625 7.0625 7.0625 7.0625 7.3969 7.3969 7.3969 7.3969 10.5534 10.5534 10.5534 10.5534 11.0810 11.0810 11.0810 11.0810 k = 0.2586 0.1493 0.6849 ( 4320 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4201 -14.4201 -14.4201 -14.4201 -13.0241 -13.0241 -13.0241 -13.0241 -12.9774 -12.9774 -12.9774 -12.9774 1.2106 1.2106 1.2106 1.2106 3.8890 3.8890 3.8890 3.8890 4.5274 4.5274 4.5274 4.5274 6.2155 6.2155 6.2155 6.2155 7.1057 7.1057 7.1057 7.1057 7.5034 7.5034 7.5034 7.5034 10.6037 10.6037 10.6037 10.6037 10.9916 10.9916 10.9916 10.9916 k = 0.2759 0.1593 0.6849 ( 4320 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4202 -14.4202 -14.4202 -14.4202 -13.0247 -13.0247 -13.0247 -13.0247 -12.9770 -12.9770 -12.9770 -12.9770 1.2340 1.2340 1.2340 1.2340 3.8284 3.8284 3.8284 3.8284 4.5213 4.5213 4.5214 4.5214 6.1788 6.1788 6.1788 6.1788 7.1498 7.1498 7.1498 7.1498 7.6119 7.6119 7.6119 7.6119 10.6514 10.6514 10.6514 10.6514 10.9028 10.9028 10.9028 10.9028 k = 0.2931 0.1692 0.6849 ( 4320 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4203 -14.4203 -14.4203 -14.4203 -13.0252 -13.0252 -13.0252 -13.0252 -12.9765 -12.9765 -12.9765 -12.9765 1.2576 1.2576 1.2576 1.2576 3.7695 3.7695 3.7695 3.7695 4.5155 4.5155 4.5155 4.5155 6.1436 6.1436 6.1436 6.1436 7.1944 7.1944 7.1944 7.1944 7.7218 7.7218 7.7218 7.7218 10.6959 10.6959 10.6959 10.6959 10.8157 10.8157 10.8157 10.8157 k = 0.3103 0.1792 0.6849 ( 4332 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4203 -14.4203 -14.4203 -14.4203 -13.0257 -13.0257 -13.0257 -13.0257 -12.9761 -12.9761 -12.9761 -12.9761 1.2813 1.2813 1.2813 1.2813 3.7128 3.7128 3.7128 3.7128 4.5099 4.5099 4.5099 4.5099 6.1103 6.1103 6.1103 6.1103 7.2391 7.2391 7.2391 7.2391 7.8323 7.8323 7.8323 7.8323 10.7233 10.7233 10.7233 10.7233 10.7446 10.7446 10.7446 10.7446 k = 0.3276 0.1891 0.6849 ( 4330 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4204 -14.4204 -14.4204 -14.4204 -13.0261 -13.0261 -13.0261 -13.0261 -12.9758 -12.9758 -12.9758 -12.9758 1.3048 1.3048 1.3048 1.3048 3.6588 3.6588 3.6588 3.6588 4.5046 4.5046 4.5046 4.5046 6.0791 6.0791 6.0791 6.0791 7.2833 7.2833 7.2833 7.2833 7.9427 7.9427 7.9427 7.9427 10.6467 10.6467 10.6467 10.6467 10.7768 10.7768 10.7768 10.7768 k = 0.3448 0.1991 0.6849 ( 4342 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4204 -14.4204 -14.4204 -14.4204 -13.0265 -13.0265 -13.0265 -13.0265 -12.9754 -12.9754 -12.9754 -12.9754 1.3277 1.3277 1.3277 1.3277 3.6078 3.6078 3.6078 3.6078 4.4997 4.4997 4.4997 4.4997 6.0503 6.0503 6.0503 6.0503 7.3264 7.3264 7.3264 7.3264 8.0519 8.0519 8.0519 8.0519 10.5688 10.5688 10.5688 10.5688 10.8099 10.8099 10.8099 10.8099 k = 0.3621 0.2090 0.6849 ( 4342 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4205 -14.4205 -14.4205 -14.4205 -13.0269 -13.0269 -13.0269 -13.0269 -12.9751 -12.9751 -12.9751 -12.9751 1.3497 1.3497 1.3497 1.3497 3.5605 3.5605 3.5605 3.5605 4.4952 4.4952 4.4952 4.4952 6.0241 6.0241 6.0241 6.0241 7.3679 7.3679 7.3679 7.3679 8.1588 8.1588 8.1588 8.1588 10.4955 10.4955 10.4955 10.4955 10.8381 10.8381 10.8382 10.8382 k = 0.3793 0.2190 0.6849 ( 4338 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4205 -14.4205 -14.4205 -14.4205 -13.0273 -13.0273 -13.0273 -13.0273 -12.9748 -12.9748 -12.9748 -12.9748 1.3704 1.3704 1.3704 1.3704 3.5172 3.5172 3.5172 3.5172 4.4911 4.4911 4.4912 4.4912 6.0006 6.0006 6.0006 6.0006 7.4069 7.4069 7.4070 7.4070 8.2621 8.2621 8.2621 8.2621 10.4278 10.4278 10.4278 10.4278 10.8598 10.8598 10.8598 10.8598 k = 0.3966 0.2289 0.6849 ( 4346 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4206 -14.4206 -14.4206 -14.4206 -13.0276 -13.0276 -13.0276 -13.0276 -12.9746 -12.9746 -12.9746 -12.9746 1.3895 1.3895 1.3895 1.3895 3.4784 3.4784 3.4784 3.4784 4.4876 4.4876 4.4876 4.4876 5.9800 5.9800 5.9801 5.9801 7.4429 7.4429 7.4429 7.4429 8.3600 8.3600 8.3600 8.3600 10.3667 10.3667 10.3667 10.3667 10.8717 10.8717 10.8717 10.8717 k = 0.4138 0.2389 0.6849 ( 4356 PWs) bands (ev): -33.3513 -33.3513 -33.3513 -33.3513 -14.4206 -14.4206 -14.4206 -14.4206 -13.0278 -13.0278 -13.0278 -13.0278 -12.9743 -12.9743 -12.9743 -12.9743 1.4064 1.4064 1.4065 1.4065 3.4446 3.4446 3.4446 3.4446 4.4845 4.4845 4.4845 4.4845 5.9625 5.9625 5.9625 5.9625 7.4750 7.4750 7.4751 7.4751 8.4504 8.4504 8.4504 8.4504 10.3130 10.3130 10.3130 10.3130 10.8682 10.8682 10.8682 10.8682 k = 0.4310 0.2489 0.6849 ( 4364 PWs) bands (ev): -33.3513 -33.3513 -33.3513 -33.3513 -14.4206 -14.4206 -14.4206 -14.4206 -13.0281 -13.0281 -13.0281 -13.0281 -12.9742 -12.9742 -12.9742 -12.9742 1.4209 1.4209 1.4210 1.4210 3.4163 3.4163 3.4163 3.4163 4.4819 4.4819 4.4819 4.4819 5.9480 5.9480 5.9480 5.9480 7.5026 7.5026 7.5026 7.5026 8.5307 8.5307 8.5307 8.5307 10.2677 10.2677 10.2677 10.2677 10.8440 10.8440 10.8440 10.8440 k = 0.4483 0.2588 0.6849 ( 4356 PWs) bands (ev): -33.3513 -33.3513 -33.3513 -33.3513 -14.4207 -14.4207 -14.4207 -14.4207 -13.0282 -13.0282 -13.0282 -13.0282 -12.9740 -12.9740 -12.9740 -12.9740 1.4327 1.4327 1.4327 1.4327 3.3937 3.3937 3.3937 3.3937 4.4799 4.4799 4.4799 4.4799 5.9366 5.9366 5.9366 5.9366 7.5249 7.5249 7.5249 7.5249 8.5980 8.5980 8.5980 8.5980 10.2315 10.2315 10.2315 10.2315 10.8058 10.8058 10.8058 10.8058 k = 0.4655 0.2688 0.6849 ( 4340 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4207 -14.4207 -14.4207 -14.4207 -13.0284 -13.0284 -13.0284 -13.0284 -12.9739 -12.9739 -12.9739 -12.9739 1.4413 1.4413 1.4413 1.4413 3.3774 3.3774 3.3774 3.3774 4.4785 4.4785 4.4785 4.4785 5.9285 5.9285 5.9285 5.9285 7.5413 7.5413 7.5413 7.5413 8.6492 8.6492 8.6492 8.6492 10.2051 10.2051 10.2051 10.2051 10.7681 10.7681 10.7681 10.7681 k = 0.4828 0.2787 0.6849 ( 4348 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4207 -14.4207 -14.4207 -14.4207 -13.0284 -13.0284 -13.0284 -13.0284 -12.9739 -12.9739 -12.9739 -12.9739 1.4465 1.4465 1.4465 1.4465 3.3675 3.3675 3.3675 3.3675 4.4776 4.4776 4.4776 4.4776 5.9236 5.9236 5.9236 5.9236 7.5513 7.5513 7.5513 7.5513 8.6814 8.6814 8.6814 8.6814 10.1890 10.1890 10.1890 10.1890 10.7418 10.7418 10.7418 10.7418 k = 0.5000 0.2887 0.6849 ( 4348 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4207 -14.4207 -14.4207 -14.4207 -13.0285 -13.0285 -13.0285 -13.0285 -12.9738 -12.9738 -12.9738 -12.9738 1.4483 1.4483 1.4483 1.4483 3.3641 3.3641 3.3642 3.3642 4.4773 4.4773 4.4773 4.4773 5.9219 5.9219 5.9219 5.9219 7.5547 7.5547 7.5547 7.5547 8.6924 8.6924 8.6924 8.6924 10.1836 10.1836 10.1836 10.1836 10.7324 10.7324 10.7324 10.7324 k = 0.5000 0.2887 0.6849 ( 4348 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4207 -14.4207 -14.4207 -14.4207 -13.0285 -13.0285 -13.0285 -13.0285 -12.9738 -12.9738 -12.9738 -12.9738 1.4483 1.4483 1.4483 1.4483 3.3641 3.3641 3.3642 3.3642 4.4773 4.4773 4.4773 4.4773 5.9219 5.9219 5.9219 5.9219 7.5547 7.5547 7.5547 7.5547 8.6924 8.6924 8.6924 8.6924 10.1836 10.1836 10.1836 10.1836 10.7324 10.7324 10.7324 10.7324 k = 0.4902 0.3057 0.6849 ( 4356 PWs) bands (ev): -33.3513 -33.3513 -33.3513 -33.3513 -14.4207 -14.4207 -14.4207 -14.4207 -13.0294 -13.0294 -13.0275 -13.0275 -12.9748 -12.9748 -12.9729 -12.9729 1.4482 1.4482 1.4494 1.4494 3.3649 3.3649 3.3656 3.3656 4.4691 4.4691 4.4717 4.4717 5.9301 5.9301 5.9314 5.9314 7.5518 7.5518 7.5524 7.5524 8.6931 8.6931 8.6951 8.6951 10.1639 10.1639 10.1718 10.1718 10.7331 10.7331 10.7342 10.7342 k = 0.4804 0.3226 0.6849 ( 4352 PWs) bands (ev): -33.3513 -33.3513 -33.3513 -33.3513 -14.4207 -14.4207 -14.4207 -14.4207 -13.0303 -13.0303 -13.0266 -13.0266 -12.9757 -12.9757 -12.9720 -12.9720 1.4491 1.4491 1.4515 1.4515 3.3679 3.3679 3.3692 3.3692 4.4478 4.4478 4.4529 4.4529 5.9553 5.9553 5.9579 5.9579 7.5437 7.5437 7.5448 7.5448 8.6967 8.6967 8.7007 8.7007 10.1173 10.1173 10.1317 10.1317 10.7361 10.7361 10.7380 10.7380 k = 0.4706 0.3396 0.6849 ( 4348 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4207 -14.4207 -14.4207 -14.4207 -13.0311 -13.0311 -13.0257 -13.0257 -12.9766 -12.9766 -12.9712 -12.9712 1.4509 1.4509 1.4545 1.4545 3.3730 3.3730 3.3749 3.3749 4.4149 4.4149 4.4221 4.4221 5.9961 5.9961 5.9997 5.9997 7.5311 7.5311 7.5326 7.5326 8.7023 8.7023 8.7082 8.7082 10.0533 10.0533 10.0726 10.0726 10.7407 10.7407 10.7431 10.7431 k = 0.4608 0.3566 0.6849 ( 4350 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4208 -14.4208 -14.4207 -14.4207 -13.0319 -13.0319 -13.0248 -13.0248 -12.9775 -12.9775 -12.9704 -12.9704 1.4536 1.4536 1.4584 1.4584 3.3803 3.3803 3.3828 3.3828 4.3724 4.3724 4.3817 4.3817 6.0503 6.0503 6.0545 6.0545 7.5145 7.5145 7.5163 7.5163 8.7079 8.7079 8.7157 8.7157 9.9814 9.9814 10.0042 10.0042 10.7465 10.7465 10.7492 10.7492 k = 0.4510 0.3736 0.6849 ( 4350 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4208 -14.4208 -14.4207 -14.4207 -13.0327 -13.0327 -13.0238 -13.0238 -12.9785 -12.9785 -12.9696 -12.9696 1.4572 1.4572 1.4631 1.4631 3.3897 3.3897 3.3928 3.3928 4.3228 4.3228 4.3337 4.3337 6.1153 6.1153 6.1199 6.1199 7.4949 7.4949 7.4967 7.4967 8.7110 8.7110 8.7207 8.7207 9.9094 9.9094 9.9348 9.9348 10.7532 10.7532 10.7561 10.7561 k = 0.4412 0.3906 0.6849 ( 4350 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4208 -14.4208 -14.4207 -14.4207 -13.0335 -13.0335 -13.0230 -13.0230 -12.9794 -12.9794 -12.9689 -12.9689 1.4615 1.4615 1.4686 1.4686 3.4013 3.4013 3.4049 3.4049 4.2680 4.2680 4.2803 4.2803 6.1888 6.1888 6.1934 6.1934 7.4733 7.4733 7.4750 7.4750 8.7089 8.7089 8.7201 8.7201 9.8437 9.8437 9.8712 9.8712 10.7603 10.7603 10.7635 10.7635 k = 0.4314 0.4075 0.6849 ( 4342 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4208 -14.4208 -14.4207 -14.4207 -13.0342 -13.0342 -13.0221 -13.0221 -12.9802 -12.9802 -12.9682 -12.9682 1.4664 1.4664 1.4746 1.4746 3.4149 3.4149 3.4191 3.4191 4.2099 4.2099 4.2235 4.2235 6.2683 6.2683 6.2726 6.2726 7.4507 7.4507 7.4522 7.4522 8.6984 8.6984 8.7108 8.7108 9.7894 9.7894 9.8185 9.8185 10.7675 10.7675 10.7711 10.7711 k = 0.4216 0.4245 0.6849 ( 4338 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4208 -14.4208 -14.4207 -14.4207 -13.0348 -13.0348 -13.0213 -13.0213 -12.9810 -12.9810 -12.9676 -12.9676 1.4719 1.4719 1.4810 1.4810 3.4306 3.4306 3.4352 3.4352 4.1501 4.1501 4.1649 4.1649 6.3515 6.3515 6.3553 6.3553 7.4285 7.4285 7.4293 7.4293 8.6773 8.6773 8.6904 8.6904 9.7502 9.7502 9.7803 9.7803 10.7742 10.7742 10.7781 10.7781 k = 0.4118 0.4415 0.6849 ( 4342 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4209 -14.4209 -14.4207 -14.4207 -13.0354 -13.0354 -13.0206 -13.0206 -12.9818 -12.9818 -12.9670 -12.9670 1.4777 1.4777 1.4878 1.4878 3.4483 3.4483 3.4533 3.4533 4.0900 4.0900 4.1057 4.1057 6.4360 6.4360 6.4390 6.4390 7.4077 7.4077 7.4078 7.4078 8.6445 8.6445 8.6577 8.6577 9.7279 9.7279 9.7587 9.7587 10.7795 10.7795 10.7838 10.7838 k = 0.4020 0.4585 0.6849 ( 4342 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4209 -14.4209 -14.4207 -14.4207 -13.0359 -13.0359 -13.0199 -13.0199 -12.9824 -12.9824 -12.9665 -12.9665 1.4836 1.4836 1.4946 1.4946 3.4678 3.4678 3.4731 3.4731 4.0307 4.0307 4.0473 4.0473 6.5195 6.5195 6.5213 6.5213 7.3889 7.3889 7.3902 7.3902 8.6007 8.6007 8.6135 8.6135 9.7221 9.7221 9.7532 9.7532 10.7825 10.7825 10.7874 10.7874 k = 0.3922 0.4755 0.6849 ( 4346 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4209 -14.4209 -14.4207 -14.4207 -13.0364 -13.0364 -13.0193 -13.0193 -12.9831 -12.9831 -12.9661 -12.9661 1.4895 1.4895 1.5013 1.5013 3.4890 3.4890 3.4944 3.4944 3.9731 3.9731 3.9907 3.9907 6.5988 6.5988 6.5992 6.5992 7.3744 7.3744 7.3774 7.3774 8.5482 8.5482 8.5602 8.5602 9.7307 9.7307 9.7620 9.7620 10.7822 10.7822 10.7878 10.7878 k = 0.3824 0.4924 0.6849 ( 4348 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4209 -14.4209 -14.4207 -14.4207 -13.0368 -13.0368 -13.0188 -13.0188 -12.9836 -12.9836 -12.9657 -12.9657 1.4952 1.4952 1.5077 1.5077 3.5118 3.5118 3.5171 3.5171 3.9183 3.9183 3.9368 3.9368 6.6693 6.6693 6.6708 6.6708 7.3660 7.3660 7.3710 7.3710 8.4906 8.4906 8.5017 8.5017 9.7502 9.7502 9.7817 9.7817 10.7777 10.7777 10.7841 10.7841 k = 0.3725 0.5094 0.6849 ( 4356 PWs) bands (ev): -33.3513 -33.3513 -33.3513 -33.3513 -14.4209 -14.4209 -14.4207 -14.4207 -13.0371 -13.0371 -13.0184 -13.0184 -12.9840 -12.9840 -12.9654 -12.9654 1.5004 1.5004 1.5134 1.5134 3.5356 3.5356 3.5405 3.5405 3.8673 3.8673 3.8869 3.8869 6.7283 6.7283 6.7318 6.7318 7.3652 7.3652 7.3725 7.3725 8.4322 8.4322 8.4423 8.4423 9.7765 9.7765 9.8085 9.8085 10.7685 10.7685 10.7761 10.7761 k = 0.3627 0.5264 0.6849 ( 4360 PWs) bands (ev): -33.3513 -33.3513 -33.3513 -33.3513 -14.4209 -14.4209 -14.4207 -14.4207 -13.0374 -13.0374 -13.0181 -13.0181 -12.9843 -12.9843 -12.9651 -12.9651 1.5048 1.5048 1.5184 1.5184 3.5597 3.5597 3.5638 3.5638 3.8213 3.8213 3.8423 3.8423 6.7734 6.7734 6.7788 6.7788 7.3722 7.3722 7.3817 7.3817 8.3777 8.3777 8.3869 8.3869 9.8052 9.8052 9.8380 9.8380 10.7554 10.7554 10.7642 10.7642 k = 0.3529 0.5434 0.6849 ( 4366 PWs) bands (ev): -33.3513 -33.3513 -33.3513 -33.3513 -14.4210 -14.4210 -14.4207 -14.4207 -13.0375 -13.0375 -13.0179 -13.0179 -12.9846 -12.9846 -12.9650 -12.9650 1.5083 1.5083 1.5222 1.5222 3.5826 3.5826 3.5851 3.5851 3.7824 3.7824 3.8053 3.8053 6.8036 6.8036 6.8105 6.8105 7.3847 7.3847 7.3959 7.3959 8.3323 8.3323 8.3408 8.3408 9.8317 9.8317 9.8653 9.8653 10.7403 10.7403 10.7506 10.7506 k = 0.3431 0.5604 0.6849 ( 4362 PWs) bands (ev): -33.3513 -33.3513 -33.3513 -33.3513 -14.4210 -14.4210 -14.4207 -14.4207 -13.0376 -13.0376 -13.0177 -13.0177 -12.9847 -12.9847 -12.9649 -12.9649 1.5106 1.5106 1.5247 1.5247 3.6005 3.6005 3.6011 3.6011 3.7545 3.7545 3.7797 3.7797 6.8197 6.8197 6.8275 6.8275 7.3972 7.3972 7.4095 7.4095 8.3017 8.3017 8.3097 8.3097 9.8510 9.8510 9.8854 9.8854 10.7275 10.7275 10.7388 10.7388 k = 0.3333 0.5774 0.6849 ( 4362 PWs) bands (ev): -33.3513 -33.3513 -33.3513 -33.3513 -14.4210 -14.4210 -14.4207 -14.4207 -13.0377 -13.0377 -13.0177 -13.0177 -12.9848 -12.9848 -12.9648 -12.9648 1.5114 1.5114 1.5255 1.5255 3.6072 3.6072 3.6077 3.6077 3.7441 3.7441 3.7704 3.7704 6.8244 6.8244 6.8325 6.8325 7.4029 7.4029 7.4155 7.4155 8.2907 8.2907 8.2985 8.2985 9.8584 9.8584 9.8931 9.8931 10.7219 10.7219 10.7337 10.7337 k = 0.3333 0.5774 0.6849 ( 4362 PWs) bands (ev): -33.3513 -33.3513 -33.3513 -33.3513 -14.4210 -14.4210 -14.4207 -14.4207 -13.0377 -13.0377 -13.0177 -13.0177 -12.9848 -12.9848 -12.9648 -12.9648 1.5114 1.5114 1.5255 1.5255 3.6072 3.6072 3.6077 3.6077 3.7441 3.7441 3.7704 3.7704 6.8244 6.8244 6.8325 6.8325 7.4029 7.4029 7.4155 7.4155 8.2907 8.2907 8.2985 8.2985 9.8584 9.8584 9.8931 9.8931 10.7219 10.7219 10.7337 10.7337 k = 0.3235 0.5604 0.6849 ( 4366 PWs) bands (ev): -33.3513 -33.3513 -33.3513 -33.3513 -14.4210 -14.4210 -14.4207 -14.4207 -13.0376 -13.0376 -13.0177 -13.0177 -12.9847 -12.9847 -12.9649 -12.9649 1.5105 1.5105 1.5246 1.5246 3.6014 3.6014 3.6019 3.6019 3.7538 3.7538 3.7791 3.7791 6.8206 6.8206 6.8285 6.8285 7.3958 7.3958 7.4082 7.4082 8.3020 8.3020 8.3100 8.3100 9.8502 9.8502 9.8845 9.8845 10.7289 10.7289 10.7402 10.7402 k = 0.3137 0.5434 0.6849 ( 4374 PWs) bands (ev): -33.3513 -33.3513 -33.3513 -33.3513 -14.4210 -14.4210 -14.4207 -14.4207 -13.0375 -13.0375 -13.0178 -13.0178 -12.9846 -12.9846 -12.9650 -12.9650 1.5077 1.5077 1.5216 1.5216 3.5878 3.5878 3.5899 3.5899 3.7777 3.7777 3.8012 3.8012 6.8109 6.8109 6.8182 6.8182 7.3741 7.3741 7.3857 7.3857 8.3346 8.3346 8.3429 8.3429 9.8253 9.8253 9.8585 9.8585 10.7516 10.7516 10.7613 10.7613 k = 0.3039 0.5264 0.6849 ( 4362 PWs) bands (ev): -33.3513 -33.3513 -33.3513 -33.3513 -14.4209 -14.4209 -14.4207 -14.4207 -13.0374 -13.0374 -13.0180 -13.0180 -12.9844 -12.9844 -12.9651 -12.9651 1.5030 1.5030 1.5165 1.5165 3.5737 3.5737 3.5768 3.5768 3.8091 3.8091 3.8312 3.8312 6.7973 6.7973 6.8037 6.8037 7.3390 7.3390 7.3498 7.3498 8.3836 8.3836 8.3924 8.3924 9.7859 9.7859 9.8175 9.8175 10.7901 10.7901 10.7976 10.7976 k = 0.2941 0.5094 0.6849 ( 4358 PWs) bands (ev): -33.3513 -33.3513 -33.3513 -33.3513 -14.4209 -14.4209 -14.4207 -14.4207 -13.0371 -13.0371 -13.0182 -13.0182 -12.9842 -12.9842 -12.9654 -12.9654 1.4961 1.4961 1.5091 1.5091 3.5625 3.5625 3.5659 3.5659 3.8447 3.8447 3.8659 3.8659 6.7810 6.7810 6.7865 6.7865 7.2942 7.2942 7.3040 7.3040 8.4420 8.4420 8.4513 8.4513 9.7370 9.7370 9.7670 9.7670 10.8426 10.8426 10.8476 10.8476 k = 0.2843 0.4924 0.6849 ( 4350 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4209 -14.4209 -14.4207 -14.4207 -13.0368 -13.0368 -13.0185 -13.0185 -12.9839 -12.9839 -12.9657 -12.9657 1.4870 1.4870 1.4994 1.4994 3.5556 3.5556 3.5590 3.5590 3.8829 3.8829 3.9035 3.9035 6.7631 6.7631 6.7674 6.7674 7.2431 7.2431 7.2520 7.2520 8.5019 8.5019 8.5115 8.5115 9.6859 9.6859 9.7144 9.7144 10.9062 10.9062 10.9088 10.9088 k = 0.2745 0.4755 0.6849 ( 4346 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4209 -14.4209 -14.4206 -14.4206 -13.0364 -13.0364 -13.0188 -13.0188 -12.9836 -12.9836 -12.9660 -12.9660 1.4757 1.4757 1.4875 1.4875 3.5538 3.5538 3.5567 3.5567 3.9229 3.9229 3.9431 3.9431 6.7441 6.7441 6.7472 6.7472 7.1889 7.1889 7.1968 7.1968 8.5544 8.5544 8.5639 8.5639 9.6410 9.6410 9.6680 9.6680 10.9783 10.9783 10.9789 10.9789 k = 0.2647 0.4585 0.6849 ( 4342 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4208 -14.4208 -14.4206 -14.4206 -13.0359 -13.0359 -13.0191 -13.0191 -12.9832 -12.9832 -12.9665 -12.9665 1.4622 1.4622 1.4733 1.4733 3.5572 3.5572 3.5595 3.5595 3.9640 3.9640 3.9840 3.9840 6.7246 6.7246 6.7263 6.7263 7.1339 7.1339 7.1408 7.1408 8.5903 8.5903 8.5993 8.5993 9.6119 9.6119 9.6373 9.6373 11.0556 11.0556 11.0565 11.0565 k = 0.2549 0.4415 0.6849 ( 4350 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4208 -14.4208 -14.4206 -14.4206 -13.0354 -13.0354 -13.0194 -13.0194 -12.9829 -12.9829 -12.9670 -12.9670 1.4468 1.4468 1.4570 1.4570 3.5659 3.5659 3.5675 3.5675 4.0060 4.0060 4.0257 4.0257 6.7047 6.7047 6.7050 6.7050 7.0798 7.0798 7.0857 7.0857 8.6012 8.6012 8.6089 8.6089 9.6071 9.6071 9.6305 9.6305 11.1363 11.1363 11.1366 11.1366 k = 0.2451 0.4245 0.6849 ( 4346 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4208 -14.4208 -14.4206 -14.4206 -13.0348 -13.0348 -13.0197 -13.0197 -12.9825 -12.9825 -12.9675 -12.9675 1.4295 1.4295 1.4389 1.4389 3.5798 3.5798 3.5806 3.5806 4.0484 4.0484 4.0680 4.0680 6.6835 6.6835 6.6848 6.6848 7.0279 7.0279 7.0329 7.0329 8.5828 8.5828 8.5884 8.5884 9.6309 9.6309 9.6520 9.6520 11.1598 11.1598 11.1636 11.1636 k = 0.2353 0.4075 0.6849 ( 4346 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4207 -14.4207 -14.4205 -14.4205 -13.0342 -13.0342 -13.0200 -13.0200 -12.9822 -12.9822 -12.9681 -12.9681 1.4105 1.4105 1.4190 1.4190 3.5988 3.5988 3.5989 3.5989 4.0910 4.0910 4.1104 4.1104 6.6620 6.6620 6.6648 6.6648 6.9792 6.9792 6.9832 6.9832 8.5363 8.5363 8.5395 8.5395 9.6818 9.6818 9.7005 9.7005 11.1466 11.1466 11.1494 11.1494 k = 0.2255 0.3906 0.6849 ( 4330 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4207 -14.4207 -14.4205 -14.4205 -13.0335 -13.0335 -13.0203 -13.0203 -12.9819 -12.9819 -12.9687 -12.9687 1.3901 1.3901 1.3977 1.3977 3.6218 3.6218 3.6227 3.6227 4.1333 4.1333 4.1525 4.1525 6.6408 6.6408 6.6450 6.6450 6.9341 6.9341 6.9373 6.9373 8.4669 8.4669 8.4679 8.4679 9.7536 9.7536 9.7704 9.7704 11.1309 11.1309 11.1338 11.1338 k = 0.2157 0.3736 0.6849 ( 4326 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4206 -14.4206 -14.4205 -14.4205 -13.0327 -13.0327 -13.0205 -13.0205 -12.9816 -12.9816 -12.9694 -12.9694 1.3684 1.3684 1.3753 1.3753 3.6494 3.6494 3.6512 3.6512 4.1752 4.1752 4.1941 4.1941 6.6201 6.6201 6.6257 6.6257 6.8932 6.8932 6.8957 6.8957 8.3800 8.3800 8.3809 8.3809 9.8397 9.8397 9.8550 9.8550 11.1138 11.1138 11.1171 11.1171 k = 0.2059 0.3566 0.6849 ( 4326 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4206 -14.4206 -14.4204 -14.4204 -13.0319 -13.0319 -13.0207 -13.0207 -12.9813 -12.9813 -12.9701 -12.9701 1.3459 1.3459 1.3519 1.3519 3.6813 3.6813 3.6839 3.6839 4.2161 4.2161 4.2348 4.2348 6.6003 6.6003 6.6069 6.6069 6.8566 6.8566 6.8587 6.8587 8.2812 8.2812 8.2837 8.2837 9.9340 9.9340 9.9484 9.9484 11.0958 11.0958 11.0997 11.0997 k = 0.1961 0.3396 0.6849 ( 4320 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4205 -14.4205 -14.4204 -14.4204 -13.0311 -13.0311 -13.0209 -13.0209 -12.9811 -12.9811 -12.9708 -12.9708 1.3227 1.3227 1.3279 1.3279 3.7172 3.7172 3.7206 3.7206 4.2559 4.2559 4.2742 4.2742 6.5819 6.5819 6.5892 6.5892 6.8240 6.8240 6.8261 6.8261 8.1752 8.1752 8.1790 8.1790 10.0316 10.0316 10.0454 10.0454 11.0774 11.0774 11.0819 11.0819 k = 0.1863 0.3226 0.6849 ( 4324 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4204 -14.4204 -14.4203 -14.4203 -13.0303 -13.0303 -13.0210 -13.0210 -12.9809 -12.9809 -12.9716 -12.9716 1.2990 1.2990 1.3036 1.3036 3.7568 3.7568 3.7609 3.7609 4.2941 4.2941 4.3119 4.3119 6.5655 6.5655 6.5730 6.5730 6.7954 6.7954 6.7978 6.7978 8.0648 8.0648 8.0698 8.0698 10.1281 10.1281 10.1417 10.1417 11.0597 11.0597 11.0648 11.0648 k = 0.1765 0.3057 0.6849 ( 4312 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4204 -14.4204 -14.4203 -14.4203 -13.0294 -13.0294 -13.0211 -13.0211 -12.9807 -12.9807 -12.9724 -12.9724 1.2752 1.2752 1.2791 1.2791 3.7999 3.7999 3.8045 3.8045 4.3305 4.3305 4.3478 4.3478 6.5515 6.5515 6.5588 6.5588 6.7703 6.7703 6.7735 6.7735 7.9521 7.9521 7.9581 7.9581 10.2193 10.2193 10.2326 10.2326 11.0449 11.0449 11.0505 11.0505 k = 0.1667 0.2887 0.6849 ( 4308 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4203 -14.4203 -14.4202 -14.4202 -13.0285 -13.0285 -13.0211 -13.0211 -12.9806 -12.9806 -12.9732 -12.9732 1.2514 1.2514 1.2547 1.2547 3.8459 3.8459 3.8511 3.8511 4.3647 4.3647 4.3815 4.3815 6.5404 6.5404 6.5471 6.5471 6.7482 6.7482 6.7528 6.7528 7.8383 7.8383 7.8453 7.8453 10.2999 10.2999 10.3129 10.3129 11.0366 11.0366 11.0424 11.0424 k = 0.1569 0.2717 0.6849 ( 4308 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4202 -14.4202 -14.4201 -14.4201 -13.0276 -13.0276 -13.0211 -13.0211 -12.9805 -12.9805 -12.9741 -12.9741 1.2280 1.2280 1.2307 1.2307 3.8947 3.8947 3.9003 3.9003 4.3966 4.3966 4.4127 4.4127 6.5327 6.5327 6.5382 6.5382 6.7288 6.7288 6.7352 6.7352 7.7248 7.7248 7.7327 7.7327 10.3642 10.3642 10.3762 10.3762 11.0400 11.0400 11.0451 11.0451 k = 0.1471 0.2547 0.6849 ( 4304 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4202 -14.4202 -14.4201 -14.4201 -13.0267 -13.0267 -13.0211 -13.0211 -12.9805 -12.9805 -12.9749 -12.9749 1.2050 1.2050 1.2073 1.2073 3.9457 3.9457 3.9517 3.9517 4.4260 4.4260 4.4413 4.4413 6.5286 6.5286 6.5323 6.5323 6.7116 6.7116 6.7203 6.7203 7.6123 7.6123 7.6211 7.6211 10.4066 10.4066 10.4169 10.4169 11.0605 11.0605 11.0637 11.0637 k = 0.1373 0.2377 0.6849 ( 4304 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4201 -14.4201 -14.4200 -14.4200 -13.0258 -13.0258 -13.0210 -13.0210 -12.9805 -12.9805 -12.9757 -12.9757 1.1827 1.1827 1.1846 1.1846 3.9987 3.9987 4.0050 4.0050 4.4526 4.4526 4.4671 4.4671 6.5280 6.5280 6.5295 6.5295 6.6963 6.6963 6.7079 6.7079 7.5018 7.5018 7.5116 7.5116 10.4241 10.4241 10.4321 10.4321 11.1003 11.1003 11.1008 11.1008 k = 0.1275 0.2208 0.6849 ( 4306 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4200 -14.4200 -14.4200 -14.4200 -13.0249 -13.0249 -13.0209 -13.0209 -12.9805 -12.9805 -12.9765 -12.9765 1.1613 1.1613 1.1628 1.1628 4.0533 4.0533 4.0597 4.0597 4.4765 4.4765 4.4901 4.4901 6.5293 6.5293 6.5308 6.5308 6.6825 6.6825 6.6977 6.6977 7.3941 7.3941 7.4049 7.4049 10.4188 10.4188 10.4244 10.4244 11.1543 11.1543 11.1571 11.1571 k = 0.1176 0.2038 0.6849 ( 4314 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4200 -14.4200 -14.4199 -14.4199 -13.0240 -13.0240 -13.0207 -13.0207 -12.9806 -12.9806 -12.9773 -12.9773 1.1409 1.1409 1.1421 1.1421 4.1089 4.1089 4.1155 4.1155 4.4976 4.4976 4.5102 4.5102 6.5314 6.5314 6.5363 6.5363 6.6700 6.6700 6.6895 6.6895 7.2902 7.2902 7.3021 7.3021 10.3957 10.3957 10.3993 10.3993 11.2192 11.2192 11.2252 11.2252 k = 0.1078 0.1868 0.6849 ( 4314 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4199 -14.4199 -14.4199 -14.4199 -13.0232 -13.0232 -13.0205 -13.0205 -12.9807 -12.9807 -12.9781 -12.9781 1.1216 1.1216 1.1225 1.1225 4.1652 4.1652 4.1717 4.1717 4.5160 4.5160 4.5276 4.5276 6.5345 6.5345 6.5436 6.5436 6.6590 6.6590 6.6834 6.6834 7.1909 7.1909 7.2040 7.2040 10.3606 10.3606 10.3628 10.3628 11.2894 11.2894 11.2987 11.2987 k = 0.0980 0.1698 0.6849 ( 4318 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4198 -14.4198 -14.4198 -14.4198 -13.0224 -13.0224 -13.0203 -13.0203 -12.9809 -12.9809 -12.9788 -12.9788 1.1036 1.1036 1.1043 1.1043 4.2214 4.2214 4.2278 4.2278 4.5318 4.5318 4.5424 4.5424 6.5375 6.5375 6.5507 6.5507 6.6500 6.6500 6.6796 6.6796 7.0976 7.0976 7.1121 7.1121 10.3184 10.3184 10.3196 10.3196 11.3597 11.3597 11.3720 11.3720 k = 0.0882 0.1528 0.6849 ( 4322 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4198 -14.4198 -14.4198 -14.4198 -13.0216 -13.0216 -13.0200 -13.0200 -12.9810 -12.9810 -12.9795 -12.9795 1.0871 1.0871 1.0876 1.0876 4.2770 4.2770 4.2832 4.2832 4.5453 4.5453 4.5548 4.5548 6.5382 6.5382 6.5543 6.5543 6.6446 6.6446 6.6783 6.6783 7.0118 7.0118 7.0278 7.0278 10.2725 10.2725 10.2731 10.2731 11.4249 11.4249 11.4398 11.4398 k = 0.0784 0.1358 0.6849 ( 4326 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4197 -14.4197 -14.4197 -14.4197 -13.0209 -13.0209 -13.0198 -13.0198 -12.9812 -12.9812 -12.9801 -12.9801 1.0720 1.0720 1.0723 1.0723 4.3312 4.3312 4.3372 4.3372 4.5565 4.5565 4.5649 4.5649 6.5343 6.5343 6.5502 6.5502 6.6454 6.6454 6.6799 6.6799 6.9357 6.9357 6.9531 6.9531 10.2257 10.2257 10.2260 10.2260 11.4804 11.4804 11.4956 11.4956 k = 0.0686 0.1189 0.6849 ( 4320 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4197 -14.4197 -14.4197 -14.4197 -13.0203 -13.0203 -13.0195 -13.0195 -12.9814 -12.9814 -12.9806 -12.9806 1.0585 1.0585 1.0587 1.0587 4.3833 4.3833 4.3888 4.3888 4.5657 4.5657 4.5731 4.5731 6.5238 6.5238 6.5361 6.5361 6.6527 6.6527 6.6842 6.6842 6.8714 6.8714 6.8898 6.8898 10.1802 10.1802 10.1802 10.1802 11.5230 11.5230 11.5353 11.5353 k = 0.0588 0.1019 0.6849 ( 4312 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4196 -14.4196 -14.4196 -14.4196 -13.0198 -13.0198 -13.0193 -13.0193 -12.9816 -12.9816 -12.9811 -12.9811 1.0466 1.0466 1.0468 1.0468 4.4321 4.4321 4.4371 4.4371 4.5733 4.5733 4.5795 4.5795 6.5054 6.5054 6.5130 6.5130 6.6640 6.6640 6.6903 6.6903 6.8211 6.8211 6.8393 6.8393 10.1375 10.1375 10.1375 10.1375 11.5539 11.5539 11.5620 11.5620 k = 0.0490 0.0849 0.6849 ( 4312 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4196 -14.4196 -14.4196 -14.4196 -13.0193 -13.0193 -13.0190 -13.0190 -12.9818 -12.9818 -12.9815 -12.9815 1.0365 1.0365 1.0366 1.0366 4.4766 4.4766 4.4810 4.4810 4.5792 4.5792 4.5844 4.5844 6.4802 6.4802 6.4840 6.4840 6.6764 6.6764 6.6967 6.6967 6.7858 6.7858 6.8019 6.8019 10.0990 10.0990 10.0991 10.0991 11.5773 11.5773 11.5819 11.5819 k = 0.0392 0.0679 0.6849 ( 4316 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4196 -14.4196 -14.4196 -14.4196 -13.0189 -13.0189 -13.0188 -13.0188 -12.9820 -12.9820 -12.9819 -12.9819 1.0281 1.0281 1.0282 1.0282 4.5155 4.5155 4.5192 4.5192 4.5839 4.5839 4.5881 4.5881 6.4514 6.4514 6.4530 6.4530 6.6878 6.6878 6.7016 6.7016 6.7643 6.7643 6.7763 6.7763 10.0660 10.0660 10.0661 10.0661 11.5962 11.5962 11.5986 11.5986 k = 0.0294 0.0509 0.6849 ( 4324 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4195 -14.4195 -14.4195 -14.4195 -13.0187 -13.0187 -13.0186 -13.0186 -12.9822 -12.9822 -12.9821 -12.9821 1.0216 1.0216 1.0216 1.0216 4.5477 4.5477 4.5506 4.5506 4.5875 4.5875 4.5906 4.5906 6.4234 6.4234 6.4239 6.4239 6.6962 6.6962 6.7035 6.7035 6.7540 6.7540 6.7607 6.7607 10.0394 10.0394 10.0394 10.0394 11.6121 11.6121 11.6131 11.6131 k = 0.0196 0.0340 0.6849 ( 4330 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4195 -14.4195 -14.4195 -14.4195 -13.0185 -13.0185 -13.0184 -13.0184 -12.9823 -12.9823 -12.9823 -12.9823 1.0169 1.0169 1.0169 1.0169 4.5719 4.5719 4.5738 4.5738 4.5901 4.5901 4.5921 4.5921 6.4004 6.4004 6.4006 6.4006 6.7008 6.7008 6.7032 6.7032 6.7508 6.7508 6.7531 6.7531 10.0198 10.0198 10.0198 10.0198 11.6248 11.6248 11.6251 11.6251 k = 0.0098 0.0170 0.6849 ( 4326 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4195 -14.4195 -14.4195 -14.4195 -13.0183 -13.0183 -13.0183 -13.0183 -12.9824 -12.9824 -12.9824 -12.9824 1.0140 1.0140 1.0140 1.0140 4.5869 4.5869 4.5878 4.5878 4.5920 4.5920 4.5930 4.5930 6.3855 6.3855 6.3855 6.3855 6.7021 6.7021 6.7024 6.7024 6.7504 6.7504 6.7507 6.7507 10.0079 10.0079 10.0079 10.0079 11.6332 11.6332 11.6332 11.6332 k = 0.0000 0.0000 0.6849 ( 4326 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4195 -14.4195 -14.4195 -14.4195 -13.0183 -13.0183 -13.0183 -13.0183 -12.9824 -12.9824 -12.9824 -12.9824 1.0131 1.0131 1.0131 1.0131 4.5915 4.5915 4.5915 4.5915 4.5937 4.5937 4.5937 4.5937 6.3803 6.3803 6.3803 6.3803 6.7022 6.7022 6.7022 6.7022 6.7504 6.7504 6.7504 6.7504 10.0038 10.0038 10.0039 10.0039 11.6362 11.6362 11.6362 11.6362 k = 0.5000 0.2887 0.6849 ( 4348 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4207 -14.4207 -14.4207 -14.4207 -13.0285 -13.0285 -13.0285 -13.0285 -12.9738 -12.9738 -12.9738 -12.9738 1.4483 1.4483 1.4483 1.4483 3.3641 3.3641 3.3642 3.3642 4.4773 4.4773 4.4773 4.4773 5.9219 5.9219 5.9219 5.9219 7.5547 7.5547 7.5547 7.5547 8.6924 8.6924 8.6924 8.6924 10.1836 10.1836 10.1836 10.1836 10.7324 10.7324 10.7324 10.7324 k = 0.5000 0.2887 0.6653 ( 4354 PWs) bands (ev): -33.3513 -33.3513 -33.3512 -33.3512 -14.4210 -14.4210 -14.4204 -14.4204 -13.0291 -13.0291 -13.0278 -13.0278 -12.9745 -12.9745 -12.9732 -12.9732 1.3571 1.3571 1.5420 1.5420 3.2731 3.2731 3.4568 3.4568 4.4040 4.4040 4.5527 4.5527 5.8415 5.8415 6.0030 6.0030 7.5505 7.5505 7.5577 7.5577 8.6604 8.6604 8.7251 8.7251 10.1688 10.1688 10.2018 10.2018 10.6933 10.6933 10.7201 10.7201 k = 0.5000 0.2887 0.6457 ( 4358 PWs) bands (ev): -33.3514 -33.3514 -33.3512 -33.3512 -14.4213 -14.4213 -14.4200 -14.4200 -13.0296 -13.0296 -13.0270 -13.0270 -12.9752 -12.9752 -12.9725 -12.9725 1.2684 1.2684 1.6381 1.6381 3.1838 3.1838 3.5508 3.5508 4.3326 4.3326 4.6302 4.6302 5.7620 5.7620 6.0842 6.0842 7.5451 7.5451 7.5595 7.5595 8.6295 8.6295 8.7584 8.7584 10.1574 10.1574 10.2236 10.2236 10.6297 10.6297 10.6584 10.6584 k = 0.5000 0.2887 0.6262 ( 4350 PWs) bands (ev): -33.3514 -33.3514 -33.3511 -33.3511 -14.4215 -14.4215 -14.4196 -14.4196 -13.0300 -13.0300 -13.0261 -13.0261 -12.9759 -12.9759 -12.9719 -12.9719 1.1822 1.1822 1.7366 1.7366 3.0964 3.0964 3.6459 3.6459 4.2634 4.2634 4.7097 4.7097 5.6837 5.6837 6.1654 6.1654 7.5385 7.5385 7.5602 7.5602 8.5996 8.5996 8.7918 8.7918 10.1493 10.1493 10.2489 10.2489 10.5561 10.5561 10.5783 10.5783 k = 0.5000 0.2887 0.6066 ( 4350 PWs) bands (ev): -33.3515 -33.3515 -33.3511 -33.3511 -14.4217 -14.4217 -14.4192 -14.4192 -13.0304 -13.0304 -13.0251 -13.0251 -12.9767 -12.9767 -12.9712 -12.9712 1.0986 1.0986 1.8374 1.8374 3.0111 3.0111 3.7418 3.7418 4.1963 4.1963 4.7911 4.7911 5.6072 5.6072 6.2461 6.2461 7.5308 7.5308 7.5597 7.5597 8.5708 8.5708 8.8251 8.8251 10.1443 10.1443 10.2779 10.2779 10.4779 10.4779 10.4963 10.4963 k = 0.5000 0.2887 0.5870 ( 4340 PWs) bands (ev): -33.3515 -33.3515 -33.3510 -33.3510 -14.4218 -14.4218 -14.4187 -14.4187 -13.0306 -13.0306 -13.0240 -13.0240 -12.9774 -12.9774 -12.9706 -12.9706 1.0175 1.0175 1.9403 1.9403 2.9282 2.9282 3.8381 3.8381 4.1315 4.1315 4.8745 4.8745 5.5330 5.5330 6.3260 6.3260 7.5220 7.5220 7.5582 7.5582 8.5432 8.5432 8.8575 8.8575 10.1424 10.1424 10.3103 10.3103 10.3971 10.3971 10.4187 10.4187 k = 0.5000 0.2887 0.5675 ( 4342 PWs) bands (ev): -33.3516 -33.3516 -33.3510 -33.3510 -14.4220 -14.4220 -14.4182 -14.4182 -13.0307 -13.0307 -13.0229 -13.0229 -12.9782 -12.9782 -12.9700 -12.9700 0.9391 0.9391 2.0450 2.0450 2.8481 2.8481 3.9334 3.9334 4.0696 4.0696 4.9598 4.9598 5.4615 5.4615 6.4047 6.4047 7.5122 7.5122 7.5557 7.5557 8.5167 8.5167 8.8883 8.8883 10.1433 10.1433 10.3146 10.3146 10.3413 10.3413 10.3539 10.3539 k = 0.5000 0.2887 0.5479 ( 4336 PWs) bands (ev): -33.3517 -33.3517 -33.3509 -33.3509 -14.4221 -14.4221 -14.4177 -14.4177 -13.0308 -13.0308 -13.0217 -13.0217 -12.9789 -12.9789 -12.9695 -12.9695 0.8632 0.8632 2.1509 2.1509 2.7714 2.7714 3.9979 3.9979 4.0400 4.0400 5.0471 5.0471 5.3937 5.3937 6.4818 6.4818 7.5015 7.5015 7.5522 7.5522 8.4912 8.4912 8.9166 8.9166 10.1467 10.1467 10.2317 10.2317 10.2867 10.2867 10.3873 10.3873 k = 0.5000 0.2887 0.5283 ( 4332 PWs) bands (ev): -33.3517 -33.3517 -33.3509 -33.3509 -14.4221 -14.4221 -14.4172 -14.4172 -13.0308 -13.0308 -13.0204 -13.0204 -12.9797 -12.9797 -12.9689 -12.9689 0.7899 0.7899 2.2562 2.2562 2.7000 2.7000 3.9460 3.9460 4.1271 4.1271 5.1362 5.1362 5.3306 5.3306 6.5570 6.5570 7.4898 7.4898 7.5479 7.5479 8.4668 8.4668 8.9415 8.9415 10.1406 10.1406 10.1605 10.1605 10.2370 10.2370 10.4306 10.4306 k = 0.5000 0.2887 0.5087 ( 4332 PWs) bands (ev): -33.3518 -33.3518 -33.3509 -33.3509 -14.4222 -14.4222 -14.4166 -14.4166 -13.0307 -13.0307 -13.0191 -13.0191 -12.9805 -12.9805 -12.9684 -12.9684 0.7192 0.7192 2.3552 2.3552 2.6397 2.6397 3.8899 3.8899 4.2172 4.2172 5.2270 5.2270 5.2740 5.2740 6.6297 6.6297 7.4775 7.4775 7.5429 7.5429 8.4434 8.4434 8.9620 8.9620 10.0617 10.0617 10.1642 10.1642 10.1996 10.1996 10.4775 10.4775 k = 0.5000 0.2887 0.4892 ( 4330 PWs) bands (ev): -33.3519 -33.3519 -33.3509 -33.3509 -14.4222 -14.4222 -14.4160 -14.4160 -13.0305 -13.0305 -13.0177 -13.0177 -12.9812 -12.9812 -12.9679 -12.9679 0.6512 0.6512 2.4226 2.4226 2.6156 2.6156 3.8355 3.8355 4.3021 4.3021 5.2258 5.2258 5.3199 5.3199 6.6996 6.6996 7.4645 7.4645 7.5372 7.5372 8.4209 8.4209 8.9770 8.9770 9.9777 9.9777 10.1752 10.1752 10.1759 10.1759 10.5277 10.5277 k = 0.5000 0.2887 0.4696 ( 4328 PWs) bands (ev): -33.3519 -33.3519 -33.3509 -33.3509 -14.4222 -14.4222 -14.4154 -14.4154 -13.0302 -13.0302 -13.0162 -13.0162 -12.9820 -12.9820 -12.9674 -12.9674 0.5857 0.5857 2.4148 2.4148 2.6717 2.6717 3.7831 3.7831 4.3781 4.3781 5.1901 5.1901 5.4143 5.4143 6.7660 6.7660 7.4510 7.4510 7.5309 7.5309 8.3992 8.3992 8.9861 8.9861 9.8935 9.8935 10.1661 10.1661 10.1892 10.1892 10.5812 10.5812 k = 0.5000 0.2887 0.4500 ( 4328 PWs) bands (ev): -33.3520 -33.3520 -33.3509 -33.3509 -14.4221 -14.4221 -14.4148 -14.4148 -13.0299 -13.0299 -13.0147 -13.0147 -12.9828 -12.9828 -12.9670 -12.9670 0.5229 0.5229 2.3653 2.3653 2.7743 2.7743 3.7327 3.7327 4.4402 4.4402 5.1715 5.1715 5.5103 5.5103 6.8286 6.8286 7.4371 7.4371 7.5241 7.5241 8.3782 8.3782 8.9887 8.9887 9.8092 9.8092 10.1709 10.1709 10.2052 10.2052 10.6377 10.6377 k = 0.5000 0.2887 0.4305 ( 4330 PWs) bands (ev): -33.3521 -33.3521 -33.3509 -33.3509 -14.4220 -14.4220 -14.4142 -14.4142 -13.0295 -13.0295 -13.0132 -13.0132 -12.9835 -12.9835 -12.9665 -12.9665 0.4628 0.4628 2.3068 2.3068 2.8907 2.8907 3.6844 3.6844 4.4833 4.4833 5.1752 5.1752 5.6079 5.6079 6.8869 6.8869 7.4229 7.4229 7.5169 7.5169 8.3579 8.3579 8.9849 8.9849 9.7248 9.7248 10.1899 10.1899 10.2233 10.2233 10.6969 10.6969 k = 0.5000 0.2887 0.4109 ( 4338 PWs) bands (ev): -33.3522 -33.3522 -33.3509 -33.3509 -14.4220 -14.4220 -14.4136 -14.4136 -13.0291 -13.0291 -13.0117 -13.0117 -12.9843 -12.9843 -12.9661 -12.9661 0.4052 0.4052 2.2472 2.2472 3.0132 3.0132 3.6383 3.6383 4.5043 4.5043 5.2043 5.2043 5.7069 5.7069 6.9404 6.9404 7.4086 7.4086 7.5094 7.5094 8.3382 8.3382 8.9748 8.9748 9.6405 9.6405 10.2221 10.2221 10.2434 10.2434 10.7581 10.7581 k = 0.5000 0.2887 0.3913 ( 4354 PWs) bands (ev): -33.3523 -33.3523 -33.3509 -33.3509 -14.4219 -14.4219 -14.4130 -14.4130 -13.0285 -13.0285 -13.0102 -13.0102 -12.9850 -12.9850 -12.9658 -12.9658 0.3504 0.3504 2.1886 2.1886 3.1395 3.1395 3.5943 3.5943 4.5045 4.5045 5.2576 5.2576 5.8073 5.8073 6.9886 6.9886 7.3943 7.3943 7.5017 7.5017 8.3191 8.3191 8.9583 8.9583 9.5560 9.5560 10.2644 10.2644 10.2672 10.2672 10.6540 10.6540 k = 0.5000 0.2887 0.3718 ( 4352 PWs) bands (ev): -33.3524 -33.3524 -33.3509 -33.3509 -14.4217 -14.4217 -14.4124 -14.4124 -13.0280 -13.0280 -13.0086 -13.0086 -12.9857 -12.9857 -12.9654 -12.9654 0.2981 0.2981 2.1319 2.1319 3.2689 3.2689 3.5524 3.5524 4.4884 4.4884 5.3304 5.3304 5.9088 5.9088 7.0313 7.0313 7.3802 7.3802 7.4939 7.4939 8.3005 8.3005 8.9348 8.9348 9.4713 9.4713 10.2886 10.2886 10.3213 10.3213 10.5120 10.5120 k = 0.5000 0.2887 0.3522 ( 4348 PWs) bands (ev): -33.3525 -33.3525 -33.3509 -33.3509 -14.4216 -14.4216 -14.4118 -14.4118 -13.0274 -13.0274 -13.0072 -13.0072 -12.9863 -12.9863 -12.9651 -12.9651 0.2485 0.2485 2.0774 2.0774 3.4007 3.4007 3.5131 3.5131 4.4616 4.4616 5.4171 5.4171 6.0114 6.0114 7.0682 7.0682 7.3663 7.3663 7.4860 7.4860 8.2825 8.2825 8.9030 8.9030 9.3864 9.3864 10.3135 10.3135 10.3725 10.3725 10.3896 10.3896 k = 0.5000 0.2887 0.3326 ( 4346 PWs) bands (ev): -33.3525 -33.3525 -33.3509 -33.3509 -14.4215 -14.4215 -14.4112 -14.4112 -13.0268 -13.0268 -13.0057 -13.0057 -12.9870 -12.9870 -12.9648 -12.9648 0.2016 0.2016 2.0253 2.0253 3.4734 3.4734 3.5374 3.5374 4.4285 4.4285 5.5134 5.5134 6.1147 6.1147 7.0991 7.0991 7.3528 7.3528 7.4781 7.4781 8.2649 8.2649 8.8608 8.8608 9.3010 9.3010 10.2520 10.2520 10.3405 10.3405 10.4582 10.4582 k = 0.5000 0.2887 0.3131 ( 4340 PWs) bands (ev): -33.3526 -33.3526 -33.3509 -33.3509 -14.4213 -14.4213 -14.4106 -14.4106 -13.0261 -13.0261 -13.0043 -13.0043 -12.9875 -12.9875 -12.9645 -12.9645 0.1574 0.1574 1.9758 1.9758 3.4388 3.4388 3.6736 3.6736 4.3920 4.3920 5.6162 5.6162 6.2185 6.2185 7.1240 7.1240 7.3400 7.3400 7.4703 7.4703 8.2478 8.2478 8.8052 8.8052 9.2150 9.2150 10.1459 10.1459 10.3681 10.3681 10.5372 10.5372 k = 0.5000 0.2887 0.2935 ( 4336 PWs) bands (ev): -33.3527 -33.3527 -33.3509 -33.3509 -14.4212 -14.4212 -14.4100 -14.4100 -13.0254 -13.0254 -13.0031 -13.0031 -12.9879 -12.9879 -12.9643 -12.9643 0.1158 0.1158 1.9290 1.9290 3.4056 3.4056 3.8127 3.8127 4.3542 4.3542 5.7235 5.7235 6.3225 6.3225 7.1431 7.1431 7.3279 7.3279 7.4627 7.4627 8.2313 8.2313 8.7336 8.7336 9.1285 9.1285 10.0612 10.0612 10.3967 10.3967 10.6219 10.6219 k = 0.5000 0.2887 0.2739 ( 4326 PWs) bands (ev): -33.3528 -33.3528 -33.3509 -33.3509 -14.4210 -14.4210 -14.4095 -14.4095 -13.0247 -13.0247 -13.0020 -13.0020 -12.9883 -12.9883 -12.9640 -12.9640 0.0768 0.0768 1.8850 1.8850 3.3744 3.3744 3.9541 3.9541 4.3164 4.3164 5.8338 5.8338 6.4262 6.4262 7.1564 7.1564 7.3169 7.3169 7.4552 7.4552 8.2153 8.2153 8.6445 8.6445 9.0411 9.0411 10.0009 10.0009 10.4262 10.4262 10.7113 10.7113 k = 0.5000 0.2887 0.2544 ( 4334 PWs) bands (ev): -33.3528 -33.3528 -33.3509 -33.3509 -14.4208 -14.4208 -14.4090 -14.4090 -13.0240 -13.0240 -13.0010 -13.0010 -12.9884 -12.9884 -12.9639 -12.9639 0.0406 0.0406 1.8438 1.8438 3.3453 3.3453 4.0974 4.0974 4.2795 4.2795 5.9461 5.9461 6.5290 6.5290 7.1643 7.1643 7.3071 7.3071 7.4481 7.4481 8.2000 8.2000 8.5385 8.5385 8.9530 8.9530 9.9655 9.9655 10.4562 10.4562 10.8040 10.8040 k = 0.5000 0.2887 0.2348 ( 4338 PWs) bands (ev): -33.3529 -33.3529 -33.3509 -33.3509 -14.4207 -14.4207 -14.4085 -14.4085 -13.0233 -13.0233 -13.0003 -13.0003 -12.9884 -12.9884 -12.9637 -12.9637 0.0070 0.0070 1.8054 1.8054 3.3184 3.3184 4.2416 4.2416 4.2449 4.2449 6.0596 6.0596 6.6301 6.6301 7.1667 7.1667 7.2991 7.2991 7.4413 7.4413 8.1852 8.1852 8.4179 8.4179 8.8641 8.8641 9.9532 9.9532 10.4865 10.4865 10.8987 10.8987 k = 0.5000 0.2887 0.2152 ( 4336 PWs) bands (ev): -33.3529 -33.3529 -33.3509 -33.3509 -14.4205 -14.4205 -14.4080 -14.4080 -13.0226 -13.0226 -12.9998 -12.9998 -12.9882 -12.9882 -12.9636 -12.9636 -0.0239 -0.0239 1.7700 1.7700 3.2936 3.2936 4.2103 4.2103 4.3894 4.3894 6.1737 6.1737 6.7284 6.7284 7.1638 7.1638 7.2935 7.2935 7.4348 7.4348 8.1712 8.1712 8.2864 8.2864 8.7745 8.7745 9.9613 9.9613 10.5167 10.5167 10.9630 10.9631 k = 0.5000 0.2887 0.1957 ( 4350 PWs) bands (ev): -33.3530 -33.3530 -33.3510 -33.3510 -14.4204 -14.4204 -14.4075 -14.4075 -13.0219 -13.0219 -12.9995 -12.9995 -12.9879 -12.9879 -12.9635 -12.9635 -0.0521 -0.0521 1.7375 1.7375 3.2709 3.2709 4.1790 4.1790 4.5376 4.5376 6.2878 6.2878 6.8222 6.8222 7.1552 7.1552 7.2913 7.2913 7.4288 7.4288 8.1471 8.1471 8.1590 8.1590 8.6842 8.6842 9.9865 9.9865 10.5466 10.5466 10.9126 10.9126 k = 0.5000 0.2887 0.1761 ( 4342 PWs) bands (ev): -33.3531 -33.3531 -33.3510 -33.3510 -14.4202 -14.4202 -14.4071 -14.4071 -13.0212 -13.0212 -12.9994 -12.9994 -12.9873 -12.9873 -12.9634 -12.9634 -0.0777 -0.0777 1.7080 1.7080 3.2504 3.2504 4.1501 4.1501 4.6870 4.6870 6.4014 6.4014 6.9090 6.9090 7.1400 7.1400 7.2944 7.2944 7.4232 7.4232 8.0078 8.0078 8.1456 8.1456 8.5936 8.5936 10.0259 10.0259 10.5756 10.5756 10.8005 10.8005 k = 0.5000 0.2887 0.1565 ( 4326 PWs) bands (ev): -33.3531 -33.3531 -33.3509 -33.3509 -14.4201 -14.4201 -14.4068 -14.4068 -13.0205 -13.0205 -12.9995 -12.9995 -12.9867 -12.9867 -12.9634 -12.9634 -0.1005 -0.1005 1.6816 1.6816 3.2321 3.2321 4.1238 4.1238 4.8371 4.8371 6.5136 6.5136 6.9850 6.9850 7.1163 7.1163 7.3056 7.3056 7.4180 7.4180 7.8704 7.8704 8.1338 8.1338 8.5030 8.5030 10.0769 10.0769 10.6035 10.6035 10.6859 10.6859 k = 0.5000 0.2887 0.1370 ( 4334 PWs) bands (ev): -33.3531 -33.3531 -33.3510 -33.3510 -14.4200 -14.4200 -14.4064 -14.4064 -13.0199 -13.0199 -12.9997 -12.9997 -12.9861 -12.9861 -12.9633 -12.9633 -0.1207 -0.1207 1.6582 1.6582 3.2159 3.2159 4.1004 4.1004 4.9873 4.9873 6.6238 6.6238 7.0455 7.0455 7.0811 7.0811 7.3285 7.3285 7.4134 7.4134 7.7417 7.7417 8.1225 8.1225 8.4132 8.4132 10.1375 10.1375 10.5740 10.5740 10.6300 10.6300 k = 0.5000 0.2887 0.1174 ( 4336 PWs) bands (ev): -33.3532 -33.3532 -33.3510 -33.3510 -14.4199 -14.4199 -14.4061 -14.4061 -13.0194 -13.0194 -12.9999 -12.9999 -12.9854 -12.9854 -12.9633 -12.9633 -0.1382 -0.1382 1.6378 1.6378 3.2018 3.2018 4.0799 4.0799 5.1369 5.1369 6.7309 6.7309 7.0300 7.0300 7.0873 7.0873 7.3648 7.3648 7.4093 7.4093 7.6286 7.6286 8.1113 8.1113 8.3256 8.3256 10.2060 10.2060 10.4693 10.4693 10.6540 10.6540 k = 0.5000 0.2887 0.0978 ( 4336 PWs) bands (ev): -33.3532 -33.3532 -33.3510 -33.3510 -14.4198 -14.4198 -14.4059 -14.4059 -13.0189 -13.0189 -13.0002 -13.0002 -12.9848 -12.9848 -12.9633 -12.9633 -0.1530 -0.1530 1.6206 1.6206 3.1900 3.1900 4.0624 4.0624 5.2843 5.2843 6.8333 6.8333 6.9595 6.9595 7.1126 7.1126 7.4058 7.4058 7.4107 7.4107 7.5374 7.5374 8.0985 8.0985 8.2432 8.2432 10.2809 10.2809 10.3745 10.3745 10.6756 10.6756 k = 0.5000 0.2887 0.0783 ( 4328 PWs) bands (ev): -33.3532 -33.3532 -33.3510 -33.3510 -14.4197 -14.4197 -14.4057 -14.4057 -13.0184 -13.0184 -13.0004 -13.0004 -12.9843 -12.9843 -12.9633 -12.9633 -0.1651 -0.1651 1.6064 1.6064 3.1802 3.1802 4.0480 4.0480 5.4273 5.4273 6.8703 6.8703 6.9290 6.9290 7.1266 7.1266 7.4026 7.4026 7.4589 7.4589 7.4710 7.4710 8.0782 8.0782 8.1739 8.1739 10.2906 10.2906 10.3628 10.3628 10.6940 10.6940 k = 0.5000 0.2887 0.0587 ( 4332 PWs) bands (ev): -33.3533 -33.3533 -33.3510 -33.3510 -14.4196 -14.4196 -14.4055 -14.4055 -13.0181 -13.0181 -13.0007 -13.0007 -12.9838 -12.9838 -12.9633 -12.9633 -0.1745 -0.1745 1.5954 1.5954 3.1727 3.1727 4.0368 4.0368 5.5617 5.5617 6.7700 6.7700 7.0144 7.0144 7.1341 7.1341 7.3995 7.3995 7.4268 7.4268 7.5031 7.5031 8.0386 8.0386 8.1329 8.1329 10.2233 10.2233 10.4478 10.4478 10.7089 10.7089 k = 0.5000 0.2887 0.0391 ( 4328 PWs) bands (ev): -33.3533 -33.3533 -33.3510 -33.3510 -14.4196 -14.4196 -14.4054 -14.4054 -13.0178 -13.0178 -13.0008 -13.0008 -12.9835 -12.9835 -12.9634 -12.9634 -0.1813 -0.1813 1.5876 1.5876 3.1673 3.1673 4.0287 4.0287 5.6796 5.6796 6.6718 6.6718 7.0842 7.0842 7.1380 7.1380 7.3924 7.3924 7.4044 7.4044 7.5378 7.5378 7.9885 7.9885 8.1167 8.1167 10.1730 10.1730 10.5369 10.5369 10.7198 10.7198 k = 0.5000 0.2887 0.0196 ( 4324 PWs) bands (ev): -33.3533 -33.3533 -33.3510 -33.3510 -14.4196 -14.4196 -14.4053 -14.4053 -13.0176 -13.0176 -13.0009 -13.0009 -12.9833 -12.9833 -12.9634 -12.9634 -0.1853 -0.1853 1.5828 1.5828 3.1640 3.1640 4.0239 4.0239 5.7660 5.7660 6.5954 6.5954 7.1306 7.1306 7.1408 7.1408 7.3805 7.3805 7.4001 7.4001 7.5599 7.5599 7.9498 7.9498 8.1104 8.1104 10.1419 10.1419 10.6289 10.6289 10.7264 10.7264 k = 0.5000 0.2887-0.0000 ( 4316 PWs) bands (ev): -33.3533 -33.3533 -33.3509 -33.3509 -14.4196 -14.4196 -14.4053 -14.4053 -13.0176 -13.0176 -13.0010 -13.0010 -12.9832 -12.9832 -12.9634 -12.9634 -0.1867 -0.1867 1.5813 1.5813 3.1630 3.1630 4.0223 4.0223 5.7990 5.7990 6.5655 6.5655 7.1392 7.1392 7.1496 7.1496 7.3761 7.3761 7.3994 7.3994 7.5675 7.5675 7.9355 7.9355 8.1086 8.1086 10.1314 10.1314 10.7128 10.7128 10.7228 10.7228 k = 0.3333 0.5774-0.0000 ( 4326 PWs) bands (ev): -33.3521 -33.3521 -33.3521 -33.3521 -14.4130 -14.4130 -14.4121 -14.4121 -13.0182 -13.0182 -12.9940 -12.9940 -12.9890 -12.9890 -12.9645 -12.9645 -0.1047 -0.1047 2.0098 2.0098 2.0314 2.0314 5.5008 5.5008 5.5076 5.5076 5.7693 5.7693 6.9057 6.9057 6.9299 6.9299 7.6538 7.6538 7.6550 7.6550 7.7343 7.7343 7.7408 7.7408 8.5962 8.5962 10.1429 10.1429 10.5295 10.5295 10.6178 10.6178 k = 0.3333 0.5774 0.0196 ( 4332 PWs) bands (ev): -33.3521 -33.3521 -33.3521 -33.3521 -14.4130 -14.4130 -14.4122 -14.4122 -13.0183 -13.0183 -12.9941 -12.9941 -12.9890 -12.9890 -12.9645 -12.9645 -0.1034 -0.1034 2.0113 2.0113 2.0329 2.0329 5.5015 5.5015 5.5082 5.5082 5.7439 5.7439 6.9110 6.9110 6.9513 6.9513 7.5874 7.5874 7.5906 7.5906 7.7985 7.7985 7.8031 7.8031 8.5972 8.5972 10.1219 10.1219 10.5511 10.5511 10.6202 10.6202 k = 0.3333 0.5774 0.0391 ( 4338 PWs) bands (ev): -33.3521 -33.3521 -33.3521 -33.3521 -14.4131 -14.4131 -14.4122 -14.4122 -13.0184 -13.0184 -12.9942 -12.9942 -12.9890 -12.9890 -12.9645 -12.9645 -0.0994 -0.0994 2.0158 2.0158 2.0373 2.0373 5.5035 5.5035 5.5102 5.5102 5.6738 5.6738 6.9141 6.9141 7.0220 7.0220 7.4908 7.4908 7.4950 7.4950 7.8886 7.8886 7.8925 7.8925 8.6001 8.6001 10.0694 10.0694 10.6054 10.6054 10.6271 10.6271 k = 0.3333 0.5774 0.0587 ( 4332 PWs) bands (ev): -33.3521 -33.3521 -33.3521 -33.3521 -14.4131 -14.4131 -14.4123 -14.4123 -13.0186 -13.0186 -12.9944 -12.9944 -12.9889 -12.9889 -12.9645 -12.9645 -0.0927 -0.0927 2.0232 2.0232 2.0447 2.0447 5.5068 5.5068 5.5133 5.5133 5.5718 5.5718 6.9159 6.9159 7.1280 7.1280 7.3903 7.3903 7.3953 7.3953 7.9785 7.9785 7.9820 7.9820 8.6051 8.6051 10.0017 10.0017 10.6375 10.6375 10.6501 10.6501 k = 0.3333 0.5774 0.0783 ( 4350 PWs) bands (ev): -33.3521 -33.3521 -33.3521 -33.3521 -14.4132 -14.4132 -14.4124 -14.4124 -13.0188 -13.0188 -12.9948 -12.9948 -12.9888 -12.9888 -12.9646 -12.9646 -0.0834 -0.0834 2.0335 2.0335 2.0550 2.0550 5.4498 5.4498 5.5111 5.5111 5.5175 5.5175 6.9177 6.9177 7.2547 7.2547 7.2883 7.2883 7.2951 7.2951 8.0660 8.0660 8.0694 8.0694 8.6120 8.6120 9.9284 9.9284 10.6494 10.6494 10.6623 10.6623 k = 0.3333 0.5774 0.0978 ( 4350 PWs) bands (ev): -33.3521 -33.3521 -33.3521 -33.3521 -14.4134 -14.4134 -14.4126 -14.4126 -13.0192 -13.0192 -12.9952 -12.9952 -12.9887 -12.9887 -12.9646 -12.9646 -0.0715 -0.0715 2.0469 2.0469 2.0682 2.0682 5.3157 5.3157 5.5164 5.5164 5.5224 5.5224 6.9198 6.9198 7.1858 7.1858 7.1919 7.1919 7.3966 7.3966 8.1508 8.1508 8.1540 8.1540 8.6209 8.6209 9.8550 9.8550 10.6599 10.6599 10.6732 10.6732 k = 0.3333 0.5774 0.1174 ( 4338 PWs) bands (ev): -33.3521 -33.3521 -33.3521 -33.3521 -14.4135 -14.4135 -14.4128 -14.4128 -13.0196 -13.0196 -12.9957 -12.9957 -12.9885 -12.9885 -12.9647 -12.9647 -0.0569 -0.0569 2.0631 2.0631 2.0844 2.0844 5.1746 5.1746 5.5220 5.5220 5.5278 5.5278 6.9223 6.9223 7.0834 7.0834 7.0907 7.0907 7.5433 7.5433 8.2325 8.2325 8.2357 8.2357 8.6319 8.6319 9.7847 9.7847 10.6653 10.6653 10.6786 10.6786 k = 0.3333 0.5774 0.1370 ( 4356 PWs) bands (ev): -33.3521 -33.3521 -33.3521 -33.3521 -14.4137 -14.4137 -14.4130 -14.4130 -13.0201 -13.0201 -12.9963 -12.9963 -12.9884 -12.9884 -12.9648 -12.9648 -0.0396 -0.0396 2.0822 2.0822 2.1035 2.1035 5.0295 5.0295 5.5277 5.5277 5.5330 5.5330 6.9240 6.9240 6.9822 6.9822 6.9918 6.9918 7.6916 7.6916 8.3111 8.3111 8.3144 8.3144 8.6449 8.6449 9.7207 9.7207 10.6613 10.6613 10.6741 10.6741 k = 0.3333 0.5774 0.1565 ( 4362 PWs) bands (ev): -33.3521 -33.3521 -33.3521 -33.3521 -14.4139 -14.4139 -14.4132 -14.4132 -13.0206 -13.0206 -12.9970 -12.9970 -12.9882 -12.9882 -12.9649 -12.9649 -0.0196 -0.0196 2.1043 2.1043 2.1254 2.1254 4.8824 4.8824 5.5327 5.5327 5.5375 5.5375 6.8830 6.8830 6.8873 6.8873 6.9340 6.9340 7.8371 7.8371 8.3864 8.3864 8.3898 8.3898 8.6599 8.6599 9.6660 9.6660 10.6445 10.6445 10.6561 10.6561 k = 0.3333 0.5774 0.1761 ( 4356 PWs) bands (ev): -33.3520 -33.3520 -33.3520 -33.3520 -14.4142 -14.4142 -14.4135 -14.4135 -13.0212 -13.0212 -12.9977 -12.9977 -12.9880 -12.9880 -12.9649 -12.9649 0.0029 0.0029 2.1292 2.1292 2.1502 2.1502 4.7345 4.7345 5.5361 5.5361 5.5403 5.5403 6.7869 6.7869 6.7948 6.7948 6.9359 6.9359 7.9748 7.9748 8.4583 8.4583 8.4620 8.4620 8.6770 8.6770 9.6247 9.6247 10.6138 10.6138 10.6234 10.6234 k = 0.3333 0.5774 0.1957 ( 4356 PWs) bands (ev): -33.3520 -33.3520 -33.3520 -33.3520 -14.4144 -14.4144 -14.4138 -14.4138 -13.0219 -13.0219 -12.9985 -12.9985 -12.9878 -12.9878 -12.9650 -12.9650 0.0282 0.0282 2.1570 2.1570 2.1779 2.1779 4.5867 4.5867 5.5368 5.5368 5.5403 5.5403 6.6955 6.6955 6.7048 6.7048 6.9405 6.9405 8.0992 8.0992 8.5268 8.5268 8.5308 8.5308 8.6963 8.6963 9.6018 9.6018 10.5706 10.5706 10.5779 10.5779 k = 0.3333 0.5774 0.2152 ( 4344 PWs) bands (ev): -33.3520 -33.3520 -33.3520 -33.3520 -14.4147 -14.4147 -14.4141 -14.4141 -13.0226 -13.0226 -12.9994 -12.9994 -12.9876 -12.9876 -12.9651 -12.9651 0.0561 0.0561 2.1876 2.1876 2.2084 2.2084 4.4396 4.4396 5.5332 5.5332 5.5360 5.5360 6.6104 6.6104 6.6210 6.6210 6.9459 6.9459 8.2039 8.2039 8.5915 8.5915 8.5960 8.5960 8.7176 8.7176 9.6035 9.6035 10.5182 10.5182 10.5230 10.5230 k = 0.3333 0.5774 0.2348 ( 4347 PWs) bands (ev): -33.3519 -33.3519 -33.3519 -33.3519 -14.4150 -14.4150 -14.4144 -14.4144 -13.0233 -13.0233 -13.0003 -13.0003 -12.9874 -12.9874 -12.9651 -12.9651 0.0866 0.0866 2.2210 2.2210 2.2416 2.2416 4.2935 4.2935 5.5235 5.5235 5.5256 5.5256 6.5336 6.5336 6.5453 6.5453 6.9522 6.9522 8.2828 8.2828 8.6521 8.6521 8.6572 8.6572 8.7412 8.7412 9.6351 9.6351 10.4603 10.4603 10.4626 10.4626 k = 0.3333 0.5774 0.2544 ( 4347 PWs) bands (ev): -33.3519 -33.3519 -33.3519 -33.3519 -14.4153 -14.4153 -14.4148 -14.4148 -13.0241 -13.0241 -13.0013 -13.0013 -12.9872 -12.9872 -12.9652 -12.9652 0.1198 0.1198 2.2572 2.2572 2.2776 2.2776 4.1489 4.1489 5.5055 5.5055 5.5071 5.5071 6.4673 6.4673 6.4801 6.4801 6.9592 6.9592 8.3325 8.3325 8.7081 8.7081 8.7137 8.7137 8.7669 8.7669 9.6997 9.6997 10.4002 10.4002 10.4003 10.4003 k = 0.3333 0.5774 0.2739 ( 4335 PWs) bands (ev): -33.3518 -33.3518 -33.3518 -33.3518 -14.4156 -14.4156 -14.4151 -14.4151 -13.0249 -13.0249 -13.0023 -13.0023 -12.9870 -12.9870 -12.9652 -12.9652 0.1557 0.1557 2.2961 2.2961 2.3163 2.3163 4.0058 4.0058 5.4775 5.4775 5.4786 5.4786 6.4135 6.4135 6.4272 6.4272 6.9671 6.9671 8.3537 8.3537 8.7586 8.7586 8.7647 8.7647 8.7950 8.7950 9.7960 9.7960 10.3391 10.3391 10.3415 10.3415 k = 0.3333 0.5774 0.2935 ( 4323 PWs) bands (ev): -33.3518 -33.3518 -33.3518 -33.3518 -14.4160 -14.4160 -14.4155 -14.4155 -13.0258 -13.0258 -13.0033 -13.0033 -12.9868 -12.9868 -12.9653 -12.9653 0.1942 0.1942 2.3377 2.3377 2.3577 2.3577 3.8645 3.8645 5.4380 5.4380 5.4389 5.4389 6.3738 6.3738 6.3880 6.3880 6.9758 6.9758 8.3507 8.3507 8.8024 8.8024 8.8088 8.8088 8.8256 8.8256 9.9189 9.9189 10.2822 10.2822 10.2867 10.2867 k = 0.3333 0.5774 0.3131 ( 4329 PWs) bands (ev): -33.3517 -33.3517 -33.3517 -33.3517 -14.4163 -14.4163 -14.4159 -14.4159 -13.0266 -13.0266 -13.0044 -13.0044 -12.9866 -12.9866 -12.9653 -12.9653 0.2354 0.2354 2.3819 2.3819 2.4017 2.4017 3.7251 3.7251 5.3866 5.3866 5.3876 5.3876 6.3485 6.3485 6.3630 6.3630 6.9853 6.9853 8.3294 8.3294 8.8383 8.8383 8.8449 8.8449 8.8586 8.8586 10.0612 10.0612 10.2322 10.2322 10.2386 10.2386 k = 0.3333 0.5774 0.3326 ( 4341 PWs) bands (ev): -33.3517 -33.3517 -33.3517 -33.3517 -14.4166 -14.4166 -14.4163 -14.4163 -13.0275 -13.0275 -13.0054 -13.0054 -12.9864 -12.9864 -12.9653 -12.9653 0.2792 0.2792 2.4288 2.4288 2.4484 2.4484 3.5878 3.5878 5.3241 5.3241 5.3255 5.3255 6.3369 6.3369 6.3514 6.3514 6.9958 6.9958 8.2950 8.2950 8.8646 8.8646 8.8722 8.8722 8.8929 8.8929 10.1914 10.1914 10.1999 10.1999 10.2152 10.2152 k = 0.3333 0.5774 0.3522 ( 4305 PWs) bands (ev): -33.3516 -33.3516 -33.3516 -33.3516 -14.4170 -14.4170 -14.4167 -14.4167 -13.0284 -13.0284 -13.0065 -13.0065 -12.9862 -12.9862 -12.9653 -12.9653 0.3257 0.3257 2.4783 2.4783 2.4976 2.4976 3.4525 3.4525 5.2520 5.2520 5.2540 5.2540 6.3375 6.3375 6.3517 6.3517 7.0073 7.0073 8.2518 8.2518 8.8799 8.8799 8.8887 8.8887 8.9291 8.9291 10.1634 10.1634 10.1731 10.1731 10.3710 10.3710 k = 0.3333 0.5774 0.3718 ( 4308 PWs) bands (ev): -33.3516 -33.3516 -33.3516 -33.3516 -14.4173 -14.4173 -14.4171 -14.4171 -13.0292 -13.0292 -13.0075 -13.0075 -12.9861 -12.9861 -12.9653 -12.9653 0.3748 0.3748 2.5303 2.5303 2.5493 2.5493 3.3195 3.3195 5.1721 5.1721 5.1749 5.1749 6.3484 6.3484 6.3622 6.3622 7.0198 7.0198 8.2029 8.2029 8.8830 8.8830 8.8926 8.8926 8.9678 8.9678 10.1491 10.1491 10.1600 10.1600 10.5168 10.5168 k = 0.3333 0.5774 0.3913 ( 4314 PWs) bands (ev): -33.3515 -33.3515 -33.3515 -33.3515 -14.4177 -14.4177 -14.4175 -14.4175 -13.0301 -13.0301 -13.0086 -13.0086 -12.9859 -12.9859 -12.9653 -12.9653 0.4265 0.4265 2.5848 2.5848 2.6035 2.6035 3.1887 3.1887 5.0864 5.0864 5.0900 5.0900 6.3676 6.3676 6.3809 6.3809 7.0335 7.0335 8.1504 8.1504 8.8734 8.8734 8.8835 8.8835 9.0089 9.0089 10.1500 10.1500 10.1616 10.1616 10.6332 10.6332 k = 0.3333 0.5774 0.4109 ( 4320 PWs) bands (ev): -33.3515 -33.3515 -33.3515 -33.3515 -14.4180 -14.4180 -14.4179 -14.4179 -13.0309 -13.0309 -13.0096 -13.0096 -12.9858 -12.9858 -12.9653 -12.9653 0.4809 0.4809 2.6418 2.6418 2.6601 2.6601 3.0603 3.0603 4.9964 4.9964 5.0009 5.0009 6.3934 6.3934 6.4062 6.4062 7.0482 7.0482 8.0958 8.0958 8.8517 8.8517 8.8619 8.8619 9.0522 9.0522 10.1661 10.1661 10.1781 10.1781 10.6996 10.6996 k = 0.3333 0.5774 0.4305 ( 4320 PWs) bands (ev): -33.3515 -33.3515 -33.3515 -33.3515 -14.4183 -14.4183 -14.4182 -14.4182 -13.0317 -13.0317 -13.0106 -13.0106 -12.9856 -12.9856 -12.9653 -12.9653 0.5379 0.5379 2.7011 2.7011 2.7190 2.7190 2.9342 2.9342 4.9034 4.9034 4.9087 4.9087 6.4244 6.4244 6.4367 6.4367 7.0643 7.0643 8.0403 8.0403 8.8192 8.8192 8.8292 8.8292 9.0978 9.0978 10.1964 10.1964 10.2084 10.2084 10.7136 10.7136 k = 0.3333 0.5774 0.4500 ( 4323 PWs) bands (ev): -33.3514 -33.3514 -33.3514 -33.3514 -14.4186 -14.4186 -14.4186 -14.4186 -13.0325 -13.0325 -13.0115 -13.0115 -12.9855 -12.9855 -12.9652 -12.9652 0.5976 0.5976 2.7628 2.7628 2.7796 2.7796 2.8111 2.8111 4.8083 4.8083 4.8146 4.8146 6.4593 6.4593 6.4711 6.4711 7.0816 7.0816 7.9845 7.9845 8.7777 8.7777 8.7876 8.7876 9.1456 9.1456 10.2394 10.2394 10.2512 10.2512 10.6908 10.6908 k = 0.3333 0.5774 0.4696 ( 4332 PWs) bands (ev): -33.3514 -33.3514 -33.3514 -33.3514 -14.4189 -14.4189 -14.4189 -14.4189 -13.0333 -13.0333 -13.0124 -13.0124 -12.9854 -12.9854 -12.9652 -12.9652 0.6599 0.6599 2.6887 2.6887 2.8269 2.8269 2.8443 2.8443 4.7121 4.7121 4.7192 4.7192 6.4971 6.4971 6.5084 6.5084 7.1002 7.1002 7.9290 7.9290 8.7296 8.7296 8.7392 8.7392 9.1956 9.1956 10.2931 10.2931 10.3043 10.3043 10.6465 10.6465 k = 0.3333 0.5774 0.4892 ( 4338 PWs) bands (ev): -33.3514 -33.3514 -33.3514 -33.3514 -14.4193 -14.4193 -14.4192 -14.4192 -13.0340 -13.0340 -13.0133 -13.0133 -12.9853 -12.9853 -12.9652 -12.9652 0.7248 0.7248 2.5699 2.5699 2.8932 2.8932 2.9100 2.9100 4.6152 4.6152 4.6233 4.6233 6.5369 6.5369 6.5477 6.5477 7.1203 7.1203 7.8743 7.8743 8.6770 8.6770 8.6862 8.6862 9.2477 9.2477 10.3553 10.3553 10.3659 10.3659 10.5901 10.5901 k = 0.3333 0.5774 0.5087 ( 4341 PWs) bands (ev): -33.3514 -33.3514 -33.3514 -33.3514 -14.4196 -14.4196 -14.4195 -14.4195 -13.0347 -13.0347 -13.0141 -13.0141 -12.9852 -12.9852 -12.9651 -12.9651 0.7924 0.7924 2.4534 2.4534 2.9616 2.9616 2.9779 2.9779 4.5183 4.5183 4.5272 4.5272 6.5776 6.5776 6.5880 6.5880 7.1418 7.1418 7.8207 7.8207 8.6220 8.6220 8.6308 8.6308 9.3020 9.3020 10.4239 10.4239 10.4335 10.4335 10.5265 10.5265 k = 0.3333 0.5774 0.5283 ( 4344 PWs) bands (ev): -33.3513 -33.3513 -33.3513 -33.3513 -14.4199 -14.4199 -14.4197 -14.4197 -13.0353 -13.0353 -13.0148 -13.0148 -12.9851 -12.9851 -12.9651 -12.9651 0.8626 0.8626 2.3395 2.3395 3.0322 3.0322 3.0480 3.0480 4.4216 4.4216 4.4314 4.4314 6.6185 6.6185 6.6285 6.6285 7.1648 7.1648 7.7683 7.7683 8.5663 8.5663 8.5749 8.5749 9.3583 9.3583 10.4577 10.4577 10.4969 10.4969 10.5044 10.5044 k = 0.3333 0.5774 0.5479 ( 4350 PWs) bands (ev): -33.3513 -33.3513 -33.3513 -33.3513 -14.4201 -14.4201 -14.4200 -14.4200 -13.0358 -13.0358 -13.0155 -13.0155 -12.9850 -12.9850 -12.9650 -12.9650 0.9354 0.9354 2.2280 2.2280 3.1048 3.1048 3.1200 3.1200 4.3255 4.3255 4.3362 4.3362 6.6585 6.6585 6.6681 6.6681 7.1894 7.1894 7.7174 7.7174 8.5119 8.5119 8.5202 8.5202 9.4166 9.4166 10.3870 10.3870 10.5692 10.5692 10.5746 10.5746 k = 0.3333 0.5774 0.5675 ( 4347 PWs) bands (ev): -33.3513 -33.3513 -33.3513 -33.3513 -14.4203 -14.4203 -14.4201 -14.4201 -13.0363 -13.0363 -13.0160 -13.0160 -12.9849 -12.9849 -12.9650 -12.9650 1.0109 1.0109 2.1190 2.1190 3.1794 3.1794 3.1939 3.1939 4.2303 4.2303 4.2420 4.2420 6.6967 6.6967 6.7059 6.7059 7.2156 7.2156 7.6681 7.6681 8.4602 8.4602 8.4683 8.4683 9.4769 9.4769 10.3144 10.3144 10.6356 10.6356 10.6373 10.6373 k = 0.3333 0.5774 0.5870 ( 4347 PWs) bands (ev): -33.3513 -33.3513 -33.3513 -33.3513 -14.4205 -14.4205 -14.4203 -14.4203 -13.0367 -13.0367 -13.0165 -13.0165 -12.9849 -12.9849 -12.9649 -12.9649 1.0890 1.0890 2.0125 2.0125 3.2557 3.2557 3.2694 3.2694 4.1363 4.1363 4.1490 4.1490 6.7319 6.7319 6.7408 6.7408 7.2434 7.2434 7.6205 7.6205 8.4128 8.4128 8.4209 8.4209 9.5390 9.5390 10.2409 10.2409 10.6834 10.6834 10.6868 10.6868 k = 0.3333 0.5774 0.6066 ( 4347 PWs) bands (ev): -33.3513 -33.3513 -33.3513 -33.3513 -14.4207 -14.4207 -14.4205 -14.4205 -13.0371 -13.0371 -13.0170 -13.0170 -12.9848 -12.9848 -12.9649 -12.9649 1.1696 1.1696 1.9086 1.9086 3.3336 3.3336 3.3463 3.3463 4.0439 4.0439 4.0577 4.0577 6.7630 6.7630 6.7716 6.7716 7.2730 7.2730 7.5747 7.5747 8.3714 8.3714 8.3793 8.3793 9.6029 9.6029 10.1672 10.1672 10.7087 10.7087 10.7165 10.7165 k = 0.3333 0.5774 0.6262 ( 4344 PWs) bands (ev): -33.3512 -33.3512 -33.3512 -33.3512 -14.4208 -14.4208 -14.4206 -14.4206 -13.0373 -13.0373 -13.0173 -13.0173 -12.9848 -12.9848 -12.9649 -12.9649 1.2529 1.2529 1.8073 1.8073 3.4126 3.4126 3.4239 3.4239 3.9535 3.9535 3.9688 3.9688 6.7888 6.7888 6.7972 6.7972 7.3043 7.3043 7.5306 7.5306 8.3372 8.3372 8.3451 8.3451 9.6685 9.6685 10.0936 10.0936 10.7189 10.7189 10.7291 10.7291 k = 0.3333 0.5774 0.6457 ( 4350 PWs) bands (ev): -33.3513 -33.3513 -33.3513 -33.3513 -14.4209 -14.4209 -14.4206 -14.4206 -13.0375 -13.0375 -13.0175 -13.0175 -12.9848 -12.9848 -12.9649 -12.9649 1.3387 1.3387 1.7085 1.7085 3.4914 3.4914 3.5007 3.5007 3.8664 3.8664 3.8839 3.8839 6.8082 6.8082 6.8164 6.8164 7.3373 7.3373 7.4884 7.4884 8.3118 8.3118 8.3196 8.3196 9.7356 9.7356 10.0208 10.0208 10.7217 10.7217 10.7330 10.7330 k = 0.3333 0.5774 0.6653 ( 4362 PWs) bands (ev): -33.3513 -33.3513 -33.3513 -33.3513 -14.4209 -14.4209 -14.4207 -14.4207 -13.0376 -13.0376 -13.0176 -13.0176 -12.9848 -12.9848 -12.9648 -12.9648 1.4271 1.4271 1.6124 1.6124 3.5655 3.5655 3.5709 3.5709 3.7874 3.7874 3.8088 3.8088 6.8203 6.8203 6.8284 6.8284 7.3719 7.3719 7.4483 7.4483 8.2960 8.2960 8.3039 8.3039 9.8034 9.8034 9.9493 9.9493 10.7220 10.7220 10.7337 10.7337 k = 0.3333 0.5774 0.6849 ( 4362 PWs) bands (ev): -33.3513 -33.3513 -33.3513 -33.3513 -14.4210 -14.4210 -14.4207 -14.4207 -13.0377 -13.0377 -13.0177 -13.0177 -12.9848 -12.9848 -12.9648 -12.9648 1.5114 1.5114 1.5255 1.5255 3.6072 3.6072 3.6077 3.6077 3.7441 3.7441 3.7704 3.7704 6.8244 6.8244 6.8325 6.8325 7.4029 7.4029 7.4155 7.4155 8.2907 8.2907 8.2985 8.2985 9.8584 9.8584 9.8931 9.8931 10.7219 10.7219 10.7337 10.7337 Writing output data file YAl3.save init_run : 0.29s CPU 0.42s WALL ( 1 calls) electrons : 146.72s CPU 148.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 146.72s CPU 148.72s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.11s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 274 calls) cegterg : 128.52s CPU 130.05s WALL ( 448 calls) Called by sum_band: Called by *egterg: h_psi : 69.28s CPU 70.60s WALL ( 7480 calls) s_psi : 11.49s CPU 11.40s WALL ( 7480 calls) g_psi : 0.18s CPU 0.21s WALL ( 6758 calls) cdiaghg : 47.86s CPU 48.27s WALL ( 7032 calls) cegterg:over : 5.10s CPU 5.04s WALL ( 6758 calls) cegterg:upda : 4.79s CPU 4.80s WALL ( 6758 calls) cegterg:last : 2.18s CPU 2.25s WALL ( 1167 calls) cdiaghg:chol : 2.70s CPU 2.79s WALL ( 7032 calls) cdiaghg:inve : 1.87s CPU 1.84s WALL ( 7032 calls) cdiaghg:para : 2.86s CPU 2.87s WALL ( 14064 calls) Called by h_psi: h_psi:vloc : 48.66s CPU 49.62s WALL ( 7480 calls) h_psi:vnl : 20.38s CPU 20.77s WALL ( 7480 calls) add_vuspsi : 11.46s CPU 11.62s WALL ( 7480 calls) General routines calbec : 8.89s CPU 9.13s WALL ( 7480 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 44.04s CPU 45.08s WALL ( 704752 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.16s WALL ( 548 calls) Parallel routines fft_scatter : 19.11s CPU 19.40s WALL ( 704775 calls) PWSCF : 2m39.83s CPU 2m59.32s WALL This run was terminated on: 18:35:14 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=