Program PWSCF v.5.4.0 starts on 21Mar2017 at 22:19: 9 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./HCBr3.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 44 27 7 2304 1097 161 Max 45 28 8 2311 1119 170 Sum 3217 1945 559 166193 79585 11895 bravais-lattice index = 14 lattice parameter (alat) = 11.9278 a.u. unit-cell volume = 1664.9996 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.927761 celldm(2)= 1.000000 celldm(3)= 1.132939 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.132939 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.882660 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Br 7.00 79.90400 Br( 1.00) C 4.00 12.01070 C( 1.00) 6 Sym. Ops. (no inversion) found ( 3 have fractional translation) 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5664697 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5664697 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5664697 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -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 = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -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 ) double point group C_6 (6) there are 12 classes and 6 irreducible representations the character table: E -E C6 -C6 C3 -C3 C2 -C2 C3^2 -C3^2 C6^5 -C6^5 G_7 1.00 -1.00 0.87 -0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 0.87 -0.87 G_8 1.00 -1.00 0.87 -0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 0.87 -0.87 G_9 1.00 -1.00 -0.87 0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 -0.87 0.87 G_10 1.00 -1.00 -0.87 0.87 0.50 -0.50 0.00 0.00 0.50 -0.50 -0.87 0.87 G_11 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_12 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C6 -C6 C3 -C3 C2 -C2 C3^2 -C3^2 C6^5 -C6^5 G_7 0.00 0.00 0.50 -0.50 0.87 -0.87 1.00 -1.00 -0.87 0.87 -0.50 0.50 G_8 0.00 0.00 -0.50 0.50 -0.87 0.87 -1.00 1.00 0.87 -0.87 0.50 -0.50 G_9 0.00 0.00 -0.50 0.50 0.87 -0.87 -1.00 1.00 -0.87 0.87 0.50 -0.50 G_10 0.00 0.00 0.50 -0.50 -0.87 0.87 1.00 -1.00 0.87 -0.87 -0.50 0.50 G_11 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_12 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 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 C6 3 60 deg rotation - cryst. axis [0,0,1] -C6 -3 60 deg rotation - cryst. axis [0,0,1] E C3 5 120 deg rotation - cryst. axis [0,0,1] -C3 -5 120 deg rotation - cryst. axis [0,0,1] E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E C3^2 6 120 deg rotation - cryst. axis [0,0,-1] -C3^2 -6 120 deg rotation - cryst. axis [0,0,-1] E C6^5 4 60 deg rotation - cryst. axis [0,0,-1] -C6^5 -4 60 deg rotation - cryst. axis [0,0,-1] E Cartesian axes number of k points= 235 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042553 k( 2) = ( 0.0172414 0.0099543 -0.0000000), wk = 0.0042553 k( 3) = ( 0.0344828 0.0199086 -0.0000000), wk = 0.0042553 k( 4) = ( 0.0517241 0.0298629 -0.0000000), wk = 0.0042553 k( 5) = ( 0.0689655 0.0398173 -0.0000000), wk = 0.0042553 k( 6) = ( 0.0862069 0.0497716 -0.0000000), wk = 0.0042553 k( 7) = ( 0.1034483 0.0597259 -0.0000000), wk = 0.0042553 k( 8) = ( 0.1206897 0.0696802 -0.0000000), wk = 0.0042553 k( 9) = ( 0.1379310 0.0796345 -0.0000000), wk = 0.0042553 k( 10) = ( 0.1551724 0.0895888 -0.0000000), wk = 0.0042553 k( 11) = ( 0.1724138 0.0995431 -0.0000000), wk = 0.0042553 k( 12) = ( 0.1896552 0.1094975 -0.0000000), wk = 0.0042553 k( 13) = ( 0.2068966 0.1194518 -0.0000000), wk = 0.0042553 k( 14) = ( 0.2241379 0.1294061 -0.0000000), wk = 0.0042553 k( 15) = ( 0.2413793 0.1393604 -0.0000000), wk = 0.0042553 k( 16) = ( 0.2586207 0.1493147 -0.0000000), wk = 0.0042553 k( 17) = ( 0.2758621 0.1592690 -0.0000000), wk = 0.0042553 k( 18) = ( 0.2931034 0.1692234 -0.0000000), wk = 0.0042553 k( 19) = ( 0.3103448 0.1791777 -0.0000000), wk = 0.0042553 k( 20) = ( 0.3275862 0.1891320 -0.0000000), wk = 0.0042553 k( 21) = ( 0.3448276 0.1990863 -0.0000000), wk = 0.0042553 k( 22) = ( 0.3620690 0.2090406 -0.0000000), wk = 0.0042553 k( 23) = ( 0.3793103 0.2189949 -0.0000000), wk = 0.0042553 k( 24) = ( 0.3965517 0.2289492 -0.0000000), wk = 0.0042553 k( 25) = ( 0.4137931 0.2389036 -0.0000000), wk = 0.0042553 k( 26) = ( 0.4310345 0.2488579 -0.0000000), wk = 0.0042553 k( 27) = ( 0.4482759 0.2588122 -0.0000000), wk = 0.0042553 k( 28) = ( 0.4655172 0.2687665 -0.0000000), wk = 0.0042553 k( 29) = ( 0.4827586 0.2787208 -0.0000000), wk = 0.0042553 k( 30) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0042553 k( 31) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0042553 k( 32) = ( 0.4901961 0.3056560 -0.0000000), wk = 0.0042553 k( 33) = ( 0.4803922 0.3226369 -0.0000000), wk = 0.0042553 k( 34) = ( 0.4705882 0.3396178 -0.0000000), wk = 0.0042553 k( 35) = ( 0.4607843 0.3565987 -0.0000000), wk = 0.0042553 k( 36) = ( 0.4509804 0.3735796 -0.0000000), wk = 0.0042553 k( 37) = ( 0.4411765 0.3905605 -0.0000000), wk = 0.0042553 k( 38) = ( 0.4313726 0.4075414 -0.0000000), wk = 0.0042553 k( 39) = ( 0.4215686 0.4245223 -0.0000000), wk = 0.0042553 k( 40) = ( 0.4117647 0.4415032 -0.0000000), wk = 0.0042553 k( 41) = ( 0.4019608 0.4584840 -0.0000000), wk = 0.0042553 k( 42) = ( 0.3921569 0.4754649 -0.0000000), wk = 0.0042553 k( 43) = ( 0.3823529 0.4924458 -0.0000000), wk = 0.0042553 k( 44) = ( 0.3725490 0.5094267 -0.0000000), wk = 0.0042553 k( 45) = ( 0.3627451 0.5264076 -0.0000000), wk = 0.0042553 k( 46) = ( 0.3529412 0.5433885 -0.0000000), wk = 0.0042553 k( 47) = ( 0.3431373 0.5603694 -0.0000000), wk = 0.0042553 k( 48) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0042553 k( 49) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0042553 k( 50) = ( 0.3235294 0.5603694 -0.0000000), wk = 0.0042553 k( 51) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0042553 k( 52) = ( 0.3039216 0.5264076 -0.0000000), wk = 0.0042553 k( 53) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0042553 k( 54) = ( 0.2843137 0.4924458 -0.0000000), wk = 0.0042553 k( 55) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0042553 k( 56) = ( 0.2647059 0.4584840 -0.0000000), wk = 0.0042553 k( 57) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0042553 k( 58) = ( 0.2450980 0.4245223 -0.0000000), wk = 0.0042553 k( 59) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0042553 k( 60) = ( 0.2254902 0.3905605 -0.0000000), wk = 0.0042553 k( 61) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0042553 k( 62) = ( 0.2058823 0.3565987 -0.0000000), wk = 0.0042553 k( 63) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0042553 k( 64) = ( 0.1862745 0.3226369 -0.0000000), wk = 0.0042553 k( 65) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0042553 k( 66) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0042553 k( 67) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0042553 k( 68) = ( 0.1470588 0.2547133 -0.0000000), wk = 0.0042553 k( 69) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0042553 k( 70) = ( 0.1274510 0.2207516 -0.0000000), wk = 0.0042553 k( 71) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0042553 k( 72) = ( 0.1078431 0.1867898 -0.0000000), wk = 0.0042553 k( 73) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0042553 k( 74) = ( 0.0882353 0.1528280 -0.0000000), wk = 0.0042553 k( 75) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0042553 k( 76) = ( 0.0686275 0.1188662 -0.0000000), wk = 0.0042553 k( 77) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0042553 k( 78) = ( 0.0490196 0.0849045 -0.0000000), wk = 0.0042553 k( 79) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0042553 k( 80) = ( 0.0294118 0.0509427 -0.0000000), wk = 0.0042553 k( 81) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0042553 k( 82) = ( 0.0098039 0.0169809 -0.0000000), wk = 0.0042553 k( 83) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042553 k( 84) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042553 k( 85) = ( 0.0000000 0.0000000 0.0200604), wk = 0.0042553 k( 86) = ( 0.0000000 0.0000000 0.0401209), wk = 0.0042553 k( 87) = ( 0.0000000 0.0000000 0.0601813), wk = 0.0042553 k( 88) = ( 0.0000000 0.0000000 0.0802418), wk = 0.0042553 k( 89) = ( 0.0000000 0.0000000 0.1003022), wk = 0.0042553 k( 90) = ( 0.0000000 0.0000000 0.1203627), wk = 0.0042553 k( 91) = ( 0.0000000 0.0000000 0.1404231), wk = 0.0042553 k( 92) = ( 0.0000000 0.0000000 0.1604836), wk = 0.0042553 k( 93) = ( 0.0000000 0.0000000 0.1805440), wk = 0.0042553 k( 94) = ( 0.0000000 0.0000000 0.2006045), wk = 0.0042553 k( 95) = ( 0.0000000 0.0000000 0.2206649), wk = 0.0042553 k( 96) = ( 0.0000000 0.0000000 0.2407254), wk = 0.0042553 k( 97) = ( 0.0000000 0.0000000 0.2607858), wk = 0.0042553 k( 98) = ( 0.0000000 0.0000000 0.2808463), wk = 0.0042553 k( 99) = ( 0.0000000 0.0000000 0.3009067), wk = 0.0042553 k( 100) = ( 0.0000000 0.0000000 0.3209672), wk = 0.0042553 k( 101) = ( 0.0000000 0.0000000 0.3410276), wk = 0.0042553 k( 102) = ( 0.0000000 0.0000000 0.3610881), wk = 0.0042553 k( 103) = ( 0.0000000 0.0000000 0.3811485), wk = 0.0042553 k( 104) = ( 0.0000000 0.0000000 0.4012090), wk = 0.0042553 k( 105) = ( 0.0000000 0.0000000 0.4212694), wk = 0.0042553 k( 106) = ( 0.0000000 0.0000000 0.4413299), wk = 0.0042553 k( 107) = ( 0.0000000 0.0000000 0.4413299), wk = 0.0042553 k( 108) = ( 0.0172414 0.0099543 0.4413299), wk = 0.0042553 k( 109) = ( 0.0344828 0.0199086 0.4413299), wk = 0.0042553 k( 110) = ( 0.0517241 0.0298629 0.4413299), wk = 0.0042553 k( 111) = ( 0.0689655 0.0398173 0.4413299), wk = 0.0042553 k( 112) = ( 0.0862069 0.0497716 0.4413299), wk = 0.0042553 k( 113) = ( 0.1034483 0.0597259 0.4413299), wk = 0.0042553 k( 114) = ( 0.1206897 0.0696802 0.4413299), wk = 0.0042553 k( 115) = ( 0.1379310 0.0796345 0.4413299), wk = 0.0042553 k( 116) = ( 0.1551724 0.0895888 0.4413299), wk = 0.0042553 k( 117) = ( 0.1724138 0.0995431 0.4413299), wk = 0.0042553 k( 118) = ( 0.1896552 0.1094975 0.4413299), wk = 0.0042553 k( 119) = ( 0.2068966 0.1194518 0.4413299), wk = 0.0042553 k( 120) = ( 0.2241379 0.1294061 0.4413299), wk = 0.0042553 k( 121) = ( 0.2413793 0.1393604 0.4413299), wk = 0.0042553 k( 122) = ( 0.2586207 0.1493147 0.4413299), wk = 0.0042553 k( 123) = ( 0.2758621 0.1592690 0.4413299), wk = 0.0042553 k( 124) = ( 0.2931034 0.1692234 0.4413299), wk = 0.0042553 k( 125) = ( 0.3103448 0.1791777 0.4413299), wk = 0.0042553 k( 126) = ( 0.3275862 0.1891320 0.4413299), wk = 0.0042553 k( 127) = ( 0.3448276 0.1990863 0.4413299), wk = 0.0042553 k( 128) = ( 0.3620690 0.2090406 0.4413299), wk = 0.0042553 k( 129) = ( 0.3793103 0.2189949 0.4413299), wk = 0.0042553 k( 130) = ( 0.3965517 0.2289492 0.4413299), wk = 0.0042553 k( 131) = ( 0.4137931 0.2389036 0.4413299), wk = 0.0042553 k( 132) = ( 0.4310345 0.2488579 0.4413299), wk = 0.0042553 k( 133) = ( 0.4482759 0.2588122 0.4413299), wk = 0.0042553 k( 134) = ( 0.4655172 0.2687665 0.4413299), wk = 0.0042553 k( 135) = ( 0.4827586 0.2787208 0.4413299), wk = 0.0042553 k( 136) = ( 0.5000000 0.2886751 0.4413299), wk = 0.0042553 k( 137) = ( 0.5000000 0.2886751 0.4413299), wk = 0.0042553 k( 138) = ( 0.4901961 0.3056560 0.4413299), wk = 0.0042553 k( 139) = ( 0.4803922 0.3226369 0.4413299), wk = 0.0042553 k( 140) = ( 0.4705882 0.3396178 0.4413299), wk = 0.0042553 k( 141) = ( 0.4607843 0.3565987 0.4413299), wk = 0.0042553 k( 142) = ( 0.4509804 0.3735796 0.4413299), wk = 0.0042553 k( 143) = ( 0.4411765 0.3905605 0.4413299), wk = 0.0042553 k( 144) = ( 0.4313726 0.4075414 0.4413299), wk = 0.0042553 k( 145) = ( 0.4215686 0.4245223 0.4413299), wk = 0.0042553 k( 146) = ( 0.4117647 0.4415032 0.4413299), wk = 0.0042553 k( 147) = ( 0.4019608 0.4584840 0.4413299), wk = 0.0042553 k( 148) = ( 0.3921569 0.4754649 0.4413299), wk = 0.0042553 k( 149) = ( 0.3823529 0.4924458 0.4413299), wk = 0.0042553 k( 150) = ( 0.3725490 0.5094267 0.4413299), wk = 0.0042553 k( 151) = ( 0.3627451 0.5264076 0.4413299), wk = 0.0042553 k( 152) = ( 0.3529412 0.5433885 0.4413299), wk = 0.0042553 k( 153) = ( 0.3431373 0.5603694 0.4413299), wk = 0.0042553 k( 154) = ( 0.3333333 0.5773503 0.4413299), wk = 0.0042553 k( 155) = ( 0.3333333 0.5773503 0.4413299), wk = 0.0042553 k( 156) = ( 0.3235294 0.5603694 0.4413299), wk = 0.0042553 k( 157) = ( 0.3137255 0.5433885 0.4413299), wk = 0.0042553 k( 158) = ( 0.3039216 0.5264076 0.4413299), wk = 0.0042553 k( 159) = ( 0.2941177 0.5094267 0.4413299), wk = 0.0042553 k( 160) = ( 0.2843137 0.4924458 0.4413299), wk = 0.0042553 k( 161) = ( 0.2745098 0.4754649 0.4413299), wk = 0.0042553 k( 162) = ( 0.2647059 0.4584840 0.4413299), wk = 0.0042553 k( 163) = ( 0.2549020 0.4415031 0.4413299), wk = 0.0042553 k( 164) = ( 0.2450980 0.4245223 0.4413299), wk = 0.0042553 k( 165) = ( 0.2352941 0.4075414 0.4413299), wk = 0.0042553 k( 166) = ( 0.2254902 0.3905605 0.4413299), wk = 0.0042553 k( 167) = ( 0.2156863 0.3735796 0.4413299), wk = 0.0042553 k( 168) = ( 0.2058823 0.3565987 0.4413299), wk = 0.0042553 k( 169) = ( 0.1960784 0.3396178 0.4413299), wk = 0.0042553 k( 170) = ( 0.1862745 0.3226369 0.4413299), wk = 0.0042553 k( 171) = ( 0.1764706 0.3056560 0.4413299), wk = 0.0042553 k( 172) = ( 0.1666667 0.2886751 0.4413299), wk = 0.0042553 k( 173) = ( 0.1568627 0.2716943 0.4413299), wk = 0.0042553 k( 174) = ( 0.1470588 0.2547133 0.4413299), wk = 0.0042553 k( 175) = ( 0.1372549 0.2377325 0.4413299), wk = 0.0042553 k( 176) = ( 0.1274510 0.2207516 0.4413299), wk = 0.0042553 k( 177) = ( 0.1176471 0.2037707 0.4413299), wk = 0.0042553 k( 178) = ( 0.1078431 0.1867898 0.4413299), wk = 0.0042553 k( 179) = ( 0.0980392 0.1698089 0.4413299), wk = 0.0042553 k( 180) = ( 0.0882353 0.1528280 0.4413299), wk = 0.0042553 k( 181) = ( 0.0784314 0.1358471 0.4413299), wk = 0.0042553 k( 182) = ( 0.0686275 0.1188662 0.4413299), wk = 0.0042553 k( 183) = ( 0.0588235 0.1018853 0.4413299), wk = 0.0042553 k( 184) = ( 0.0490196 0.0849045 0.4413299), wk = 0.0042553 k( 185) = ( 0.0392157 0.0679236 0.4413299), wk = 0.0042553 k( 186) = ( 0.0294118 0.0509427 0.4413299), wk = 0.0042553 k( 187) = ( 0.0196078 0.0339618 0.4413299), wk = 0.0042553 k( 188) = ( 0.0098039 0.0169809 0.4413299), wk = 0.0042553 k( 189) = ( 0.0000000 0.0000000 0.4413299), wk = 0.0042553 k( 190) = ( 0.5000000 0.2886751 0.4413299), wk = 0.0042553 k( 191) = ( 0.5000000 0.2886751 0.4212694), wk = 0.0042553 k( 192) = ( 0.5000000 0.2886751 0.4012090), wk = 0.0042553 k( 193) = ( 0.5000000 0.2886751 0.3811485), wk = 0.0042553 k( 194) = ( 0.5000000 0.2886751 0.3610881), wk = 0.0042553 k( 195) = ( 0.5000000 0.2886751 0.3410276), wk = 0.0042553 k( 196) = ( 0.5000000 0.2886751 0.3209672), wk = 0.0042553 k( 197) = ( 0.5000000 0.2886751 0.3009067), wk = 0.0042553 k( 198) = ( 0.5000000 0.2886751 0.2808463), wk = 0.0042553 k( 199) = ( 0.5000000 0.2886751 0.2607858), wk = 0.0042553 k( 200) = ( 0.5000000 0.2886751 0.2407254), wk = 0.0042553 k( 201) = ( 0.5000000 0.2886751 0.2206649), wk = 0.0042553 k( 202) = ( 0.5000000 0.2886751 0.2006045), wk = 0.0042553 k( 203) = ( 0.5000000 0.2886751 0.1805440), wk = 0.0042553 k( 204) = ( 0.5000000 0.2886751 0.1604836), wk = 0.0042553 k( 205) = ( 0.5000000 0.2886751 0.1404231), wk = 0.0042553 k( 206) = ( 0.5000000 0.2886751 0.1203627), wk = 0.0042553 k( 207) = ( 0.5000000 0.2886751 0.1003022), wk = 0.0042553 k( 208) = ( 0.5000000 0.2886751 0.0802418), wk = 0.0042553 k( 209) = ( 0.5000000 0.2886751 0.0601813), wk = 0.0042553 k( 210) = ( 0.5000000 0.2886751 0.0401209), wk = 0.0042553 k( 211) = ( 0.5000000 0.2886751 0.0200604), wk = 0.0042553 k( 212) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0042553 k( 213) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0042553 k( 214) = ( 0.3333333 0.5773503 0.0200604), wk = 0.0042553 k( 215) = ( 0.3333333 0.5773503 0.0401209), wk = 0.0042553 k( 216) = ( 0.3333333 0.5773503 0.0601813), wk = 0.0042553 k( 217) = ( 0.3333333 0.5773503 0.0802418), wk = 0.0042553 k( 218) = ( 0.3333333 0.5773503 0.1003022), wk = 0.0042553 k( 219) = ( 0.3333333 0.5773503 0.1203627), wk = 0.0042553 k( 220) = ( 0.3333333 0.5773503 0.1404231), wk = 0.0042553 k( 221) = ( 0.3333333 0.5773503 0.1604836), wk = 0.0042553 k( 222) = ( 0.3333333 0.5773503 0.1805440), wk = 0.0042553 k( 223) = ( 0.3333333 0.5773503 0.2006045), wk = 0.0042553 k( 224) = ( 0.3333333 0.5773503 0.2206649), wk = 0.0042553 k( 225) = ( 0.3333333 0.5773503 0.2407254), wk = 0.0042553 k( 226) = ( 0.3333333 0.5773503 0.2607858), wk = 0.0042553 k( 227) = ( 0.3333333 0.5773503 0.2808463), wk = 0.0042553 k( 228) = ( 0.3333333 0.5773503 0.3009067), wk = 0.0042553 k( 229) = ( 0.3333333 0.5773503 0.3209672), wk = 0.0042553 k( 230) = ( 0.3333333 0.5773503 0.3410276), wk = 0.0042553 k( 231) = ( 0.3333333 0.5773503 0.3610881), wk = 0.0042553 k( 232) = ( 0.3333333 0.5773503 0.3811485), wk = 0.0042553 k( 233) = ( 0.3333333 0.5773503 0.4012090), wk = 0.0042553 k( 234) = ( 0.3333333 0.5773503 0.4212694), wk = 0.0042553 k( 235) = ( 0.3333333 0.5773503 0.4413299), wk = 0.0042553 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042553 k( 2) = ( 0.0172414 -0.0000000 0.0000000), wk = 0.0042553 k( 3) = ( 0.0344828 -0.0000000 0.0000000), wk = 0.0042553 k( 4) = ( 0.0517241 -0.0000000 0.0000000), wk = 0.0042553 k( 5) = ( 0.0689655 -0.0000000 0.0000000), wk = 0.0042553 k( 6) = ( 0.0862069 -0.0000000 0.0000000), wk = 0.0042553 k( 7) = ( 0.1034483 -0.0000000 0.0000000), wk = 0.0042553 k( 8) = ( 0.1206897 -0.0000000 -0.0000000), wk = 0.0042553 k( 9) = ( 0.1379310 -0.0000000 0.0000000), wk = 0.0042553 k( 10) = ( 0.1551724 0.0000000 0.0000000), wk = 0.0042553 k( 11) = ( 0.1724138 -0.0000000 0.0000000), wk = 0.0042553 k( 12) = ( 0.1896552 -0.0000000 0.0000000), wk = 0.0042553 k( 13) = ( 0.2068966 0.0000000 -0.0000000), wk = 0.0042553 k( 14) = ( 0.2241379 -0.0000000 0.0000000), wk = 0.0042553 k( 15) = ( 0.2413793 -0.0000000 0.0000000), wk = 0.0042553 k( 16) = ( 0.2586207 -0.0000000 0.0000000), wk = 0.0042553 k( 17) = ( 0.2758621 -0.0000000 -0.0000000), wk = 0.0042553 k( 18) = ( 0.2931034 -0.0000000 0.0000000), wk = 0.0042553 k( 19) = ( 0.3103448 -0.0000000 -0.0000000), wk = 0.0042553 k( 20) = ( 0.3275862 -0.0000000 0.0000000), wk = 0.0042553 k( 21) = ( 0.3448276 0.0000000 0.0000000), wk = 0.0042553 k( 22) = ( 0.3620690 0.0000000 -0.0000000), wk = 0.0042553 k( 23) = ( 0.3793103 -0.0000000 0.0000000), wk = 0.0042553 k( 24) = ( 0.3965517 -0.0000000 0.0000000), wk = 0.0042553 k( 25) = ( 0.4137931 0.0000000 -0.0000000), wk = 0.0042553 k( 26) = ( 0.4310345 0.0000000 0.0000000), wk = 0.0042553 k( 27) = ( 0.4482759 -0.0000000 0.0000000), wk = 0.0042553 k( 28) = ( 0.4655172 -0.0000000 -0.0000000), wk = 0.0042553 k( 29) = ( 0.4827586 -0.0000000 0.0000000), wk = 0.0042553 k( 30) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0042553 k( 31) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0042553 k( 32) = ( 0.4901961 0.0196078 0.0000000), wk = 0.0042553 k( 33) = ( 0.4803922 0.0392157 0.0000000), wk = 0.0042553 k( 34) = ( 0.4705882 0.0588235 0.0000000), wk = 0.0042553 k( 35) = ( 0.4607843 0.0784314 -0.0000000), wk = 0.0042553 k( 36) = ( 0.4509804 0.0980392 0.0000000), wk = 0.0042553 k( 37) = ( 0.4411765 0.1176471 0.0000000), wk = 0.0042553 k( 38) = ( 0.4313726 0.1372549 0.0000000), wk = 0.0042553 k( 39) = ( 0.4215686 0.1568627 0.0000000), wk = 0.0042553 k( 40) = ( 0.4117647 0.1764706 0.0000000), wk = 0.0042553 k( 41) = ( 0.4019608 0.1960784 -0.0000000), wk = 0.0042553 k( 42) = ( 0.3921569 0.2156863 0.0000000), wk = 0.0042553 k( 43) = ( 0.3823529 0.2352941 0.0000000), wk = 0.0042553 k( 44) = ( 0.3725490 0.2549020 0.0000000), wk = 0.0042553 k( 45) = ( 0.3627451 0.2745098 0.0000000), wk = 0.0042553 k( 46) = ( 0.3529412 0.2941177 0.0000000), wk = 0.0042553 k( 47) = ( 0.3431373 0.3137255 0.0000000), wk = 0.0042553 k( 48) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0042553 k( 49) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0042553 k( 50) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0042553 k( 51) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0042553 k( 52) = ( 0.3039216 0.3039216 0.0000000), wk = 0.0042553 k( 53) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0042553 k( 54) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0042553 k( 55) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0042553 k( 56) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0042553 k( 57) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0042553 k( 58) = ( 0.2450980 0.2450980 0.0000000), wk = 0.0042553 k( 59) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0042553 k( 60) = ( 0.2254902 0.2254902 0.0000000), wk = 0.0042553 k( 61) = ( 0.2156863 0.2156863 0.0000000), wk = 0.0042553 k( 62) = ( 0.2058823 0.2058823 0.0000000), wk = 0.0042553 k( 63) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0042553 k( 64) = ( 0.1862745 0.1862745 0.0000000), wk = 0.0042553 k( 65) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0042553 k( 66) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0042553 k( 67) = ( 0.1568627 0.1568628 0.0000000), wk = 0.0042553 k( 68) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0042553 k( 69) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0042553 k( 70) = ( 0.1274510 0.1274510 0.0000000), wk = 0.0042553 k( 71) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0042553 k( 72) = ( 0.1078431 0.1078431 -0.0000000), wk = 0.0042553 k( 73) = ( 0.0980392 0.0980392 0.0000000), wk = 0.0042553 k( 74) = ( 0.0882353 0.0882353 0.0000000), wk = 0.0042553 k( 75) = ( 0.0784314 0.0784314 0.0000000), wk = 0.0042553 k( 76) = ( 0.0686275 0.0686274 0.0000000), wk = 0.0042553 k( 77) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0042553 k( 78) = ( 0.0490196 0.0490196 0.0000000), wk = 0.0042553 k( 79) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0042553 k( 80) = ( 0.0294118 0.0294118 0.0000000), wk = 0.0042553 k( 81) = ( 0.0196078 0.0196078 0.0000000), wk = 0.0042553 k( 82) = ( 0.0098039 0.0098039 0.0000000), wk = 0.0042553 k( 83) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042553 k( 84) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042553 k( 85) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0042553 k( 86) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0042553 k( 87) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0042553 k( 88) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0042553 k( 89) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0042553 k( 90) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0042553 k( 91) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0042553 k( 92) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0042553 k( 93) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0042553 k( 94) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0042553 k( 95) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0042553 k( 96) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0042553 k( 97) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0042553 k( 98) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0042553 k( 99) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0042553 k( 100) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0042553 k( 101) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0042553 k( 102) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0042553 k( 103) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0042553 k( 104) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0042553 k( 105) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0042553 k( 106) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0042553 k( 107) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0042553 k( 108) = ( 0.0172414 -0.0000000 0.5000000), wk = 0.0042553 k( 109) = ( 0.0344828 -0.0000000 0.5000000), wk = 0.0042553 k( 110) = ( 0.0517241 -0.0000000 0.5000000), wk = 0.0042553 k( 111) = ( 0.0689655 -0.0000000 0.5000000), wk = 0.0042553 k( 112) = ( 0.0862069 -0.0000000 0.5000000), wk = 0.0042553 k( 113) = ( 0.1034483 -0.0000000 0.5000000), wk = 0.0042553 k( 114) = ( 0.1206897 -0.0000000 0.5000000), wk = 0.0042553 k( 115) = ( 0.1379310 -0.0000000 0.5000000), wk = 0.0042553 k( 116) = ( 0.1551724 0.0000000 0.5000000), wk = 0.0042553 k( 117) = ( 0.1724138 -0.0000000 0.5000000), wk = 0.0042553 k( 118) = ( 0.1896552 -0.0000000 0.5000000), wk = 0.0042553 k( 119) = ( 0.2068966 0.0000000 0.5000000), wk = 0.0042553 k( 120) = ( 0.2241379 -0.0000000 0.5000000), wk = 0.0042553 k( 121) = ( 0.2413793 -0.0000000 0.5000000), wk = 0.0042553 k( 122) = ( 0.2586207 -0.0000000 0.5000000), wk = 0.0042553 k( 123) = ( 0.2758621 -0.0000000 0.5000000), wk = 0.0042553 k( 124) = ( 0.2931034 -0.0000000 0.5000000), wk = 0.0042553 k( 125) = ( 0.3103448 -0.0000000 0.5000000), wk = 0.0042553 k( 126) = ( 0.3275862 -0.0000000 0.5000000), wk = 0.0042553 k( 127) = ( 0.3448276 0.0000000 0.5000000), wk = 0.0042553 k( 128) = ( 0.3620690 0.0000000 0.5000000), wk = 0.0042553 k( 129) = ( 0.3793103 -0.0000000 0.5000000), wk = 0.0042553 k( 130) = ( 0.3965517 -0.0000000 0.5000000), wk = 0.0042553 k( 131) = ( 0.4137931 0.0000000 0.5000000), wk = 0.0042553 k( 132) = ( 0.4310345 0.0000000 0.5000000), wk = 0.0042553 k( 133) = ( 0.4482759 -0.0000000 0.5000000), wk = 0.0042553 k( 134) = ( 0.4655172 -0.0000000 0.5000000), wk = 0.0042553 k( 135) = ( 0.4827586 -0.0000000 0.5000000), wk = 0.0042553 k( 136) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0042553 k( 137) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0042553 k( 138) = ( 0.4901961 0.0196078 0.5000000), wk = 0.0042553 k( 139) = ( 0.4803922 0.0392157 0.5000000), wk = 0.0042553 k( 140) = ( 0.4705882 0.0588235 0.5000000), wk = 0.0042553 k( 141) = ( 0.4607843 0.0784314 0.5000000), wk = 0.0042553 k( 142) = ( 0.4509804 0.0980392 0.5000000), wk = 0.0042553 k( 143) = ( 0.4411765 0.1176471 0.5000000), wk = 0.0042553 k( 144) = ( 0.4313726 0.1372549 0.5000000), wk = 0.0042553 k( 145) = ( 0.4215686 0.1568627 0.5000000), wk = 0.0042553 k( 146) = ( 0.4117647 0.1764706 0.5000000), wk = 0.0042553 k( 147) = ( 0.4019608 0.1960784 0.5000000), wk = 0.0042553 k( 148) = ( 0.3921569 0.2156863 0.5000000), wk = 0.0042553 k( 149) = ( 0.3823529 0.2352941 0.5000000), wk = 0.0042553 k( 150) = ( 0.3725490 0.2549020 0.5000000), wk = 0.0042553 k( 151) = ( 0.3627451 0.2745098 0.5000000), wk = 0.0042553 k( 152) = ( 0.3529412 0.2941177 0.5000000), wk = 0.0042553 k( 153) = ( 0.3431373 0.3137255 0.5000000), wk = 0.0042553 k( 154) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0042553 k( 155) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0042553 k( 156) = ( 0.3235294 0.3235294 0.5000000), wk = 0.0042553 k( 157) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0042553 k( 158) = ( 0.3039216 0.3039216 0.5000000), wk = 0.0042553 k( 159) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0042553 k( 160) = ( 0.2843137 0.2843137 0.5000000), wk = 0.0042553 k( 161) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0042553 k( 162) = ( 0.2647059 0.2647059 0.5000000), wk = 0.0042553 k( 163) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0042553 k( 164) = ( 0.2450980 0.2450980 0.5000000), wk = 0.0042553 k( 165) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0042553 k( 166) = ( 0.2254902 0.2254902 0.5000000), wk = 0.0042553 k( 167) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0042553 k( 168) = ( 0.2058823 0.2058823 0.5000000), wk = 0.0042553 k( 169) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0042553 k( 170) = ( 0.1862745 0.1862745 0.5000000), wk = 0.0042553 k( 171) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0042553 k( 172) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0042553 k( 173) = ( 0.1568627 0.1568628 0.5000000), wk = 0.0042553 k( 174) = ( 0.1470588 0.1470588 0.5000000), wk = 0.0042553 k( 175) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0042553 k( 176) = ( 0.1274510 0.1274510 0.5000000), wk = 0.0042553 k( 177) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0042553 k( 178) = ( 0.1078431 0.1078431 0.5000000), wk = 0.0042553 k( 179) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0042553 k( 180) = ( 0.0882353 0.0882353 0.5000000), wk = 0.0042553 k( 181) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0042553 k( 182) = ( 0.0686275 0.0686274 0.5000000), wk = 0.0042553 k( 183) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0042553 k( 184) = ( 0.0490196 0.0490196 0.5000000), wk = 0.0042553 k( 185) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0042553 k( 186) = ( 0.0294118 0.0294118 0.5000000), wk = 0.0042553 k( 187) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0042553 k( 188) = ( 0.0098039 0.0098039 0.5000000), wk = 0.0042553 k( 189) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0042553 k( 190) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0042553 k( 191) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0042553 k( 192) = ( 0.5000000 0.0000000 0.4545454), wk = 0.0042553 k( 193) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0042553 k( 194) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0042553 k( 195) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0042553 k( 196) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0042553 k( 197) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0042553 k( 198) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0042553 k( 199) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0042553 k( 200) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0042553 k( 201) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0042553 k( 202) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0042553 k( 203) = ( 0.5000000 0.0000000 0.2045454), wk = 0.0042553 k( 204) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0042553 k( 205) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0042553 k( 206) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0042553 k( 207) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0042553 k( 208) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0042553 k( 209) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0042553 k( 210) = ( 0.5000000 0.0000000 0.0454545), wk = 0.0042553 k( 211) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0042553 k( 212) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0042553 k( 213) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0042553 k( 214) = ( 0.3333333 0.3333333 0.0227273), wk = 0.0042553 k( 215) = ( 0.3333333 0.3333333 0.0454545), wk = 0.0042553 k( 216) = ( 0.3333333 0.3333333 0.0681818), wk = 0.0042553 k( 217) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0042553 k( 218) = ( 0.3333333 0.3333333 0.1136364), wk = 0.0042553 k( 219) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0042553 k( 220) = ( 0.3333333 0.3333333 0.1590909), wk = 0.0042553 k( 221) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0042553 k( 222) = ( 0.3333333 0.3333333 0.2045454), wk = 0.0042553 k( 223) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0042553 k( 224) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0042553 k( 225) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0042553 k( 226) = ( 0.3333333 0.3333333 0.2954545), wk = 0.0042553 k( 227) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0042553 k( 228) = ( 0.3333333 0.3333333 0.3409091), wk = 0.0042553 k( 229) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0042553 k( 230) = ( 0.3333333 0.3333333 0.3863636), wk = 0.0042553 k( 231) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0042553 k( 232) = ( 0.3333333 0.3333333 0.4318182), wk = 0.0042553 k( 233) = ( 0.3333333 0.3333333 0.4545454), wk = 0.0042553 k( 234) = ( 0.3333333 0.3333333 0.4772727), wk = 0.0042553 k( 235) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0042553 Dense grid: 166193 G-vectors FFT dimensions: ( 72, 72, 80) Smooth grid: 79585 G-vectors FFT dimensions: ( 54, 54, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 282, 62) NL pseudopotentials 0.25 Mb ( 141, 116) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2311) G-vector shells 0.01 Mb ( 1124) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.07 Mb ( 282, 248) Each subspace H/S matrix 0.03 Mb ( 41, 41) Each matrix 0.22 Mb ( 116, 2, 62) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./HCBr3.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 5.5 secs Computing kpt #: 5 total cpu time spent up to now is 6.5 secs Computing kpt #: 6 total cpu time spent up to now is 7.5 secs Computing kpt #: 7 total cpu time spent up to now is 8.4 secs Computing kpt #: 8 total cpu time spent up to now is 9.4 secs Computing kpt #: 9 total cpu time spent up to now is 10.4 secs Computing kpt #: 10 total cpu time spent up to now is 11.4 secs Computing kpt #: 11 total cpu time spent up to now is 12.4 secs Computing kpt #: 12 total cpu time spent up to now is 13.3 secs Computing kpt #: 13 total cpu time spent up to now is 14.2 secs Computing kpt #: 14 total cpu time spent up to now is 15.2 secs Computing kpt #: 15 total cpu time spent up to now is 16.2 secs Computing kpt #: 16 total cpu time spent up to now is 17.1 secs Computing kpt #: 17 total cpu time spent up to now is 18.0 secs Computing kpt #: 18 total cpu time spent up to now is 18.9 secs Computing kpt #: 19 total cpu time spent up to now is 19.8 secs Computing kpt #: 20 total cpu time spent up to now is 20.8 secs Computing kpt #: 21 total cpu time spent up to now is 21.8 secs Computing kpt #: 22 total cpu time spent up to now is 22.7 secs Computing kpt #: 23 total cpu time spent up to now is 23.6 secs Computing kpt #: 24 total cpu time spent up to now is 24.5 secs Computing kpt #: 25 total cpu time spent up to now is 25.4 secs Computing kpt #: 26 total cpu time spent up to now is 26.4 secs Computing kpt #: 27 total cpu time spent up to now is 27.3 secs Computing kpt #: 28 total cpu time spent up to now is 28.2 secs Computing kpt #: 29 total cpu time spent up to now is 29.1 secs Computing kpt #: 30 total cpu time spent up to now is 30.0 secs Computing kpt #: 31 total cpu time spent up to now is 30.9 secs Computing kpt #: 32 total cpu time spent up to now is 31.8 secs Computing kpt #: 33 total cpu time spent up to now is 32.7 secs Computing kpt #: 34 total cpu time spent up to now is 33.8 secs Computing kpt #: 35 total cpu time spent up to now is 34.7 secs Computing kpt #: 36 total cpu time spent up to now is 35.6 secs Computing kpt #: 37 total cpu time spent up to now is 36.9 secs Computing kpt #: 38 total cpu time spent up to now is 37.8 secs Computing kpt #: 39 total cpu time spent up to now is 38.8 secs Computing kpt #: 40 total cpu time spent up to now is 39.8 secs Computing kpt #: 41 total cpu time spent up to now is 40.7 secs Computing kpt #: 42 total cpu time spent up to now is 41.7 secs Computing kpt #: 43 total cpu time spent up to now is 42.7 secs Computing kpt #: 44 total cpu time spent up to now is 43.6 secs Computing kpt #: 45 total cpu time spent up to now is 44.6 secs Computing kpt #: 46 total cpu time spent up to now is 45.6 secs Computing kpt #: 47 total cpu time spent up to now is 46.6 secs Computing kpt #: 48 total cpu time spent up to now is 47.5 secs Computing kpt #: 49 total cpu time spent up to now is 48.4 secs Computing kpt #: 50 total cpu time spent up to now is 49.4 secs Computing kpt #: 51 total cpu time spent up to now is 50.4 secs Computing kpt #: 52 total cpu time spent up to now is 51.4 secs Computing kpt #: 53 total cpu time spent up to now is 52.4 secs Computing kpt #: 54 total cpu time spent up to now is 53.4 secs Computing kpt #: 55 total cpu time spent up to now is 54.4 secs Computing kpt #: 56 total cpu time spent up to now is 55.4 secs Computing kpt #: 57 total cpu time spent up to now is 56.4 secs Computing kpt #: 58 total cpu time spent up to now is 57.4 secs Computing kpt #: 59 total cpu time spent up to now is 58.4 secs Computing kpt #: 60 total cpu time spent up to now is 59.4 secs Computing kpt #: 61 total cpu time spent up to now is 60.4 secs Computing kpt #: 62 total cpu time spent up to now is 61.4 secs Computing kpt #: 63 total cpu time spent up to now is 62.4 secs Computing kpt #: 64 total cpu time spent up to now is 63.4 secs Computing kpt #: 65 total cpu time spent up to now is 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time spent up to now is 80.0 secs Computing kpt #: 82 total cpu time spent up to now is 81.0 secs Computing kpt #: 83 total cpu time spent up to now is 82.0 secs Computing kpt #: 84 total cpu time spent up to now is 83.0 secs Computing kpt #: 85 total cpu time spent up to now is 84.0 secs Computing kpt #: 86 total cpu time spent up to now is 85.0 secs Computing kpt #: 87 total cpu time spent up to now is 86.0 secs Computing kpt #: 88 total cpu time spent up to now is 87.0 secs Computing kpt #: 89 total cpu time spent up to now is 88.0 secs Computing kpt #: 90 total cpu time spent up to now is 89.0 secs Computing kpt #: 91 total cpu time spent up to now is 90.0 secs Computing kpt #: 92 total cpu time spent up to now is 91.0 secs Computing kpt #: 93 total cpu time spent up to now is 91.9 secs Computing kpt #: 94 total cpu time spent up to now is 92.9 secs Computing kpt #: 95 total cpu time spent up to now is 93.9 secs Computing kpt #: 96 total cpu time spent up to now is 94.8 secs Computing kpt #: 97 total cpu time spent up to now is 95.8 secs Computing kpt #: 98 total cpu time spent up to now is 96.8 secs Computing kpt #: 99 total cpu time spent up to now is 97.8 secs Computing kpt #: 100 total cpu time spent up to now is 98.7 secs Computing kpt #: 101 total cpu time spent up to now is 99.7 secs Computing kpt #: 102 total cpu time spent up to now is 100.7 secs Computing kpt #: 103 total cpu time spent up to now is 101.6 secs Computing kpt #: 104 total cpu time spent up to now is 102.6 secs Computing kpt #: 105 total cpu time spent up to now is 103.6 secs Computing kpt #: 106 total cpu time spent up to now is 104.6 secs Computing kpt #: 107 total cpu time spent up to now is 105.6 secs Computing kpt #: 108 total cpu time spent up to now is 107.0 secs Computing kpt #: 109 total cpu time spent up to now is 108.0 secs Computing kpt #: 110 total cpu time spent up to now is 108.9 secs Computing kpt #: 111 total cpu time spent up to now is 109.9 secs Computing kpt #: 112 total cpu time spent up to now is 110.9 secs Computing kpt #: 113 total cpu time spent up to now is 111.8 secs Computing kpt #: 114 total cpu time spent up to now is 112.8 secs Computing kpt #: 115 total cpu time spent up to now is 113.8 secs Computing kpt #: 116 total cpu time spent up to now is 114.8 secs Computing kpt #: 117 total cpu time spent up to now is 115.8 secs Computing kpt #: 118 total cpu time spent up to now is 116.8 secs Computing kpt #: 119 total cpu time spent up to now is 117.8 secs Computing kpt #: 120 total cpu time spent up to now is 118.8 secs Computing kpt #: 121 total cpu time spent up to now is 119.9 secs Computing kpt #: 122 total cpu time spent up to now is 120.9 secs Computing kpt #: 123 total cpu time spent up to now is 121.8 secs Computing kpt #: 124 total cpu time spent up to now is 122.9 secs Computing kpt #: 125 total cpu time spent up to now is 123.9 secs Computing kpt #: 126 total cpu time spent up to now is 124.9 secs Computing kpt #: 127 total cpu time spent up to now is 125.9 secs Computing kpt #: 128 total cpu time spent up to now is 126.9 secs Computing kpt #: 129 total cpu time spent up to now is 127.9 secs Computing kpt #: 130 total cpu time spent up to now is 128.9 secs Computing kpt #: 131 total cpu time spent up to now is 129.9 secs Computing kpt #: 132 total cpu time spent up to now is 130.9 secs Computing kpt #: 133 total cpu time spent up to now is 132.0 secs Computing kpt #: 134 total cpu time spent up to now is 133.1 secs Computing kpt #: 135 total cpu time spent up to now is 134.2 secs Computing kpt #: 136 total cpu time spent up to now is 135.3 secs Computing kpt #: 137 total cpu time spent up to now is 136.4 secs Computing kpt #: 138 total cpu time spent up to now is 137.6 secs Computing kpt #: 139 total cpu time spent up to now is 138.6 secs Computing kpt #: 140 total cpu time spent up to now is 139.6 secs Computing kpt #: 141 total cpu time spent up to now is 140.7 secs Computing kpt #: 142 total cpu time spent up to now is 142.2 secs Computing kpt #: 143 total cpu time spent up to now is 143.1 secs Computing kpt #: 144 total cpu time spent up to now is 144.1 secs Computing kpt #: 145 total cpu time spent up to now is 145.1 secs Computing kpt #: 146 total cpu time spent up to now is 146.1 secs Computing kpt #: 147 total cpu time spent up to now is 147.1 secs Computing kpt #: 148 total cpu time spent up to now is 148.1 secs Computing kpt #: 149 total cpu time spent up to now is 149.1 secs Computing kpt #: 150 total cpu time spent up to now is 150.0 secs Computing kpt #: 151 total cpu time spent up to now is 151.0 secs Computing kpt #: 152 total cpu time spent up to now is 151.9 secs Computing kpt #: 153 total cpu time spent up to now is 152.9 secs Computing kpt #: 154 total cpu time spent up to now is 153.8 secs Computing kpt #: 155 total cpu time spent up to now is 154.8 secs Computing kpt #: 156 total cpu time spent up to now is 155.7 secs Computing kpt #: 157 total cpu time spent up to now is 156.7 secs Computing kpt #: 158 total cpu time spent up to now is 157.6 secs Computing kpt #: 159 total cpu time spent up to now is 158.6 secs Computing kpt #: 160 total cpu time spent up to now is 159.6 secs Computing kpt #: 161 total cpu time spent up to now is 160.5 secs Computing kpt #: 162 total cpu time spent up to now is 161.5 secs Computing kpt #: 163 total cpu time spent up to now is 162.5 secs Computing kpt #: 164 total cpu time spent up to now is 163.7 secs Computing kpt #: 165 total cpu time spent up to now is 164.8 secs Computing kpt #: 166 total cpu time spent up to now is 165.8 secs Computing kpt #: 167 total cpu time spent up to now is 166.8 secs Computing kpt #: 168 total cpu time spent up to now is 167.8 secs Computing kpt #: 169 total cpu time spent up to now is 168.7 secs Computing kpt #: 170 total cpu time spent up to now is 169.7 secs Computing kpt #: 171 total cpu time spent up to now is 170.7 secs Computing kpt #: 172 total cpu time spent up to now is 171.6 secs Computing kpt #: 173 total cpu time spent up to now is 172.6 secs Computing kpt #: 174 total cpu time spent up to now is 173.6 secs Computing kpt #: 175 total cpu time spent up to now is 174.6 secs Computing kpt #: 176 total cpu time spent up to now is 175.7 secs Computing kpt #: 177 total cpu time spent up to now is 176.6 secs Computing kpt #: 178 total cpu time spent up to now is 177.6 secs Computing kpt #: 179 total cpu time spent up to now is 178.6 secs Computing kpt #: 180 total cpu time spent up to now is 179.6 secs Computing kpt #: 181 total cpu time spent up to now is 180.6 secs Computing kpt #: 182 total cpu time spent up to now is 181.6 secs Computing kpt #: 183 total cpu time spent up to now is 182.6 secs Computing kpt #: 184 total cpu time spent up to now is 183.7 secs Computing kpt #: 185 total cpu time spent up to now is 184.6 secs Computing kpt #: 186 total cpu time spent up to now is 185.6 secs Computing kpt #: 187 total cpu time spent up to now is 186.7 secs Computing kpt #: 188 total cpu time spent up to now is 189.0 secs Computing kpt #: 189 total cpu time spent up to now is 189.9 secs Computing kpt #: 190 total cpu time spent up to now is 191.0 secs Computing kpt #: 191 total cpu time spent up to now is 192.0 secs Computing kpt #: 192 total cpu time spent up to now is 193.0 secs Computing kpt #: 193 total cpu time spent up to now is 194.2 secs Computing kpt #: 194 total cpu time spent up to now is 195.3 secs Computing kpt #: 195 total cpu time spent up to now is 196.3 secs Computing kpt #: 196 total cpu time spent up to now is 197.3 secs Computing kpt #: 197 total cpu time spent up to now is 198.2 secs Computing kpt #: 198 total cpu time spent up to now is 199.2 secs Computing kpt #: 199 total cpu time spent up to now is 200.1 secs Computing kpt #: 200 total cpu time spent up to now is 201.0 secs Computing kpt #: 201 total cpu time spent up to now is 202.0 secs Computing kpt #: 202 total cpu time spent up to now is 202.9 secs Computing kpt #: 203 total cpu time spent up to now is 203.8 secs Computing kpt #: 204 total cpu time spent up to now is 204.8 secs Computing kpt #: 205 total cpu time spent up to now is 205.7 secs Computing kpt #: 206 total cpu time spent up to now is 206.6 secs Computing kpt #: 207 total cpu time spent up to now is 207.5 secs Computing kpt #: 208 total cpu time spent up to now is 208.4 secs Computing kpt #: 209 total cpu time spent up to now is 209.4 secs Computing kpt #: 210 total cpu time spent up to now is 210.3 secs Computing kpt #: 211 total cpu time spent up to now is 211.2 secs Computing kpt #: 212 total cpu time spent up to now is 212.7 secs Computing kpt #: 213 total cpu time spent up to now is 213.7 secs Computing kpt #: 214 total cpu time spent up to now is 214.6 secs Computing kpt #: 215 total cpu time spent up to now is 215.5 secs Computing kpt #: 216 total cpu time spent up to now is 216.5 secs Computing kpt #: 217 total cpu time spent up to now is 217.4 secs Computing kpt #: 218 total cpu time spent up to now is 218.4 secs Computing kpt #: 219 total cpu time spent up to now is 219.3 secs Computing kpt #: 220 total cpu time spent up to now is 220.2 secs Computing kpt #: 221 total cpu time spent up to now is 221.2 secs Computing kpt #: 222 total cpu time spent up to now is 222.2 secs Computing kpt #: 223 total cpu time spent up to now is 223.1 secs Computing kpt #: 224 total cpu time spent up to now is 224.0 secs Computing kpt #: 225 total cpu time spent up to now is 225.0 secs Computing kpt #: 226 total cpu time spent up to now is 225.9 secs Computing kpt #: 227 total cpu time spent up to now is 226.9 secs Computing kpt #: 228 total cpu time spent up to now is 227.9 secs Computing kpt #: 229 total cpu time spent up to now is 228.8 secs Computing kpt #: 230 total cpu time spent up to now is 229.8 secs Computing kpt #: 231 total cpu time spent up to now is 230.7 secs Computing kpt #: 232 total cpu time spent up to now is 231.7 secs Computing kpt #: 233 total cpu time spent up to now is 232.6 secs Computing kpt #: 234 total cpu time spent up to now is 233.6 secs Computing kpt #: 235 total cpu time spent up to now is 234.5 secs ethr = 1.92E-08, avg # of iterations = 18.6 total cpu time spent up to now is 234.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9961 PWs) bands (ev): -15.2002 -15.2002 -15.0466 -15.0466 -12.8485 -12.8485 -12.8471 -12.8471 -12.8335 -12.8335 -12.8323 -12.8323 -8.8881 -8.8881 -8.5986 -8.5986 -4.5955 -4.5955 -4.4724 -4.4724 -3.7755 -3.7755 -3.6977 -3.6977 -3.6285 -3.6285 -3.5437 -3.5437 -0.4754 -0.4754 -0.3574 -0.3574 -0.3058 -0.3058 -0.2608 -0.2608 -0.2556 -0.2556 -0.0489 -0.0489 0.2808 0.2808 0.4563 0.4563 0.6103 0.6103 0.7942 0.7942 0.8366 0.8366 0.9068 0.9068 4.8853 4.8853 5.3219 5.3219 6.1578 6.1578 6.1767 6.1767 6.2659 6.2659 k = 0.0172 0.0100-0.0000 ( 9977 PWs) bands (ev): -15.1999 -15.1999 -15.0465 -15.0465 -12.8490 -12.8490 -12.8476 -12.8476 -12.8334 -12.8334 -12.8323 -12.8323 -8.8875 -8.8874 -8.5983 -8.5981 -4.5961 -4.5945 -4.4729 -4.4717 -3.7753 -3.7753 -3.6977 -3.6977 -3.6287 -3.6273 -3.5441 -3.5429 -0.4826 -0.4696 -0.3702 -0.3486 -0.3099 -0.3085 -0.2730 -0.2549 -0.2545 -0.2436 -0.0616 -0.0318 0.2697 0.2940 0.4473 0.4643 0.6034 0.6154 0.7927 0.7929 0.8227 0.8479 0.9060 0.9061 4.8865 4.8871 5.3211 5.3227 6.1575 6.1576 6.1758 6.1771 6.2638 6.2668 k = 0.0345 0.0199-0.0000 ( 9979 PWs) bands (ev): -15.1992 -15.1992 -15.0463 -15.0463 -12.8506 -12.8506 -12.8491 -12.8491 -12.8336 -12.8336 -12.8319 -12.8319 -8.8856 -8.8855 -8.5974 -8.5970 -4.5963 -4.5932 -4.4730 -4.4706 -3.7747 -3.7747 -3.6976 -3.6975 -3.6280 -3.6252 -3.5438 -3.5414 -0.4910 -0.4653 -0.3855 -0.3442 -0.3229 -0.3151 -0.2781 -0.2534 -0.2511 -0.2250 -0.0691 -0.0112 0.2605 0.3091 0.4372 0.4714 0.5943 0.6189 0.7873 0.7894 0.8069 0.8565 0.9036 0.9044 4.8904 4.8916 5.3202 5.3234 6.1564 6.1571 6.1744 6.1774 6.2615 6.2650 k = 0.0517 0.0299-0.0000 ( 9971 PWs) bands (ev): -15.1979 -15.1979 -15.0460 -15.0459 -12.8534 -12.8534 -12.8511 -12.8510 -12.8343 -12.8342 -12.8312 -12.8312 -8.8824 -8.8822 -8.5959 -8.5952 -4.5962 -4.5914 -4.4727 -4.4693 -3.7739 -3.7738 -3.6976 -3.6973 -3.6263 -3.6222 -3.5430 -3.5393 -0.5006 -0.4630 -0.4023 -0.3437 -0.3408 -0.3243 -0.2803 -0.2515 -0.2461 -0.2065 -0.0706 0.0122 0.2531 0.3259 0.4261 0.4773 0.5829 0.6213 0.7744 0.7841 0.7928 0.8622 0.8997 0.9023 4.8968 4.8987 5.3188 5.3235 6.1541 6.1564 6.1725 6.1782 6.2577 6.2628 k = 0.0690 0.0398-0.0000 ( 9975 PWs) bands (ev): -15.1962 -15.1961 -15.0455 -15.0454 -12.8573 -12.8572 -12.8534 -12.8533 -12.8355 -12.8355 -12.8303 -12.8303 -8.8780 -8.8778 -8.5937 -8.5929 -4.5957 -4.5894 -4.4722 -4.4676 -3.7729 -3.7726 -3.6976 -3.6968 -3.6236 -3.6182 -3.5415 -3.5366 -0.5112 -0.4630 -0.4194 -0.3602 -0.3480 -0.3334 -0.2826 -0.2496 -0.2415 -0.1888 -0.0658 0.0377 0.2473 0.3442 0.4140 0.4820 0.5691 0.6230 0.7530 0.7775 0.7823 0.8646 0.8946 0.9007 4.9054 4.9079 5.3164 5.3226 6.1501 6.1553 6.1704 6.1802 6.2528 6.2606 k = 0.0862 0.0498-0.0000 ( 9977 PWs) bands (ev): -15.1940 -15.1939 -15.0448 -15.0448 -12.8620 -12.8619 -12.8560 -12.8559 -12.8373 -12.8372 -12.8294 -12.8294 -8.8724 -8.8721 -8.5909 -8.5899 -4.5948 -4.5870 -4.4713 -4.4656 -3.7719 -3.7714 -3.6976 -3.6962 -3.6199 -3.6134 -3.5394 -3.5332 -0.5228 -0.4660 -0.4356 -0.3799 -0.3601 -0.3376 -0.2859 -0.2483 -0.2387 -0.1721 -0.0553 0.0646 0.2426 0.3633 0.4008 0.4854 0.5531 0.6243 0.7270 0.7692 0.7734 0.8630 0.8891 0.9003 4.9154 4.9187 5.3123 5.3200 6.1443 6.1527 6.1698 6.1839 6.2478 6.2588 k = 0.1034 0.0597-0.0000 ( 9969 PWs) bands (ev): -15.1913 -15.1912 -15.0441 -15.0440 -12.8675 -12.8674 -12.8588 -12.8587 -12.8397 -12.8396 -12.8286 -12.8286 -8.8656 -8.8653 -8.5876 -8.5864 -4.5935 -4.5842 -4.4701 -4.4634 -3.7709 -3.7701 -3.6975 -3.6952 -3.6152 -3.6076 -3.5367 -3.5291 -0.5353 -0.4732 -0.4493 -0.3993 -0.3768 -0.3388 -0.2904 -0.2481 -0.2384 -0.1565 -0.0401 0.0923 0.2386 0.3807 0.3885 0.4873 0.5351 0.6255 0.6990 0.7588 0.7660 0.8575 0.8835 0.9014 4.9264 4.9304 5.3059 5.3149 6.1369 6.1474 6.1722 6.1899 6.2430 6.2575 k = 0.1207 0.0697-0.0000 ( 9955 PWs) bands (ev): -15.1881 -15.1881 -15.0433 -15.0432 -12.8737 -12.8735 -12.8618 -12.8617 -12.8426 -12.8425 -12.8279 -12.8279 -8.8578 -8.8574 -8.5838 -8.5824 -4.5918 -4.5811 -4.4687 -4.4609 -3.7703 -3.7692 -3.6970 -3.6939 -3.6097 -3.6010 -3.5333 -3.5242 -0.5486 -0.4852 -0.4595 -0.4183 -0.3952 -0.3388 -0.2957 -0.2496 -0.2405 -0.1422 -0.0220 0.1200 0.2347 0.3703 0.4025 0.4880 0.5154 0.6269 0.6710 0.7478 0.7594 0.8495 0.8780 0.9036 4.9375 4.9425 5.2967 5.3068 6.1279 6.1396 6.1783 6.1985 6.2389 6.2567 k = 0.1379 0.0796-0.0000 ( 9961 PWs) bands (ev): -15.1846 -15.1845 -15.0424 -15.0423 -12.8804 -12.8802 -12.8650 -12.8649 -12.8460 -12.8459 -12.8274 -12.8274 -8.8489 -8.8485 -8.5796 -8.5780 -4.5897 -4.5777 -4.4669 -4.4581 -3.7700 -3.7687 -3.6962 -3.6923 -3.6033 -3.5936 -3.5291 -3.5186 -0.5626 -0.5002 -0.4677 -0.4366 -0.4145 -0.3384 -0.3017 -0.2536 -0.2446 -0.1295 -0.0025 0.1465 0.2305 0.3554 0.4183 0.4885 0.4942 0.6285 0.6454 0.7373 0.7535 0.8403 0.8727 0.9065 4.9483 4.9541 5.2842 5.2952 6.1178 6.1298 6.1876 6.2096 6.2353 6.2565 k = 0.1552 0.0896-0.0000 ( 9951 PWs) bands (ev): -15.1806 -15.1805 -15.0414 -15.0413 -12.8876 -12.8874 -12.8683 -12.8682 -12.8499 -12.8498 -12.8270 -12.8270 -8.8391 -8.8386 -8.5751 -8.5733 -4.5873 -4.5740 -4.4649 -4.4551 -3.7704 -3.7688 -3.6947 -3.6901 -3.5963 -3.5856 -3.5241 -3.5122 -0.5771 -0.5161 -0.4758 -0.4543 -0.4339 -0.3380 -0.3082 -0.2606 -0.2501 -0.1192 0.0170 0.1696 0.2257 0.3422 0.4283 0.4677 0.4953 0.6231 0.6310 0.7288 0.7484 0.8311 0.8674 0.9097 4.9581 4.9647 5.2684 5.2801 6.1066 6.1186 6.1992 6.2222 6.2331 6.2581 k = 0.1724 0.0995-0.0000 ( 9959 PWs) bands (ev): -15.1763 -15.1762 -15.0404 -15.0403 -12.8952 -12.8950 -12.8716 -12.8715 -12.8542 -12.8541 -12.8267 -12.8267 -8.8285 -8.8279 -8.5703 -8.5684 -4.5845 -4.5701 -4.4626 -4.4520 -3.7713 -3.7696 -3.6925 -3.6875 -3.5886 -3.5770 -3.5184 -3.5051 -0.5918 -0.5321 -0.4844 -0.4713 -0.4528 -0.3385 -0.3149 -0.2710 -0.2565 -0.1117 0.0353 0.1836 0.2229 0.3336 0.4305 0.4399 0.5074 0.6076 0.6313 0.7235 0.7443 0.8227 0.8623 0.9131 4.9664 4.9739 5.2494 5.2616 6.0946 6.1063 6.2087 6.2299 6.2383 6.2654 k = 0.1897 0.1095-0.0000 ( 9967 PWs) bands (ev): -15.1716 -15.1715 -15.0395 -15.0393 -12.9031 -12.9030 -12.8751 -12.8750 -12.8589 -12.8588 -12.8266 -12.8266 -8.8171 -8.8165 -8.5653 -8.5632 -4.5814 -4.5659 -4.4601 -4.4487 -3.7728 -3.7711 -3.6898 -3.6844 -3.5805 -3.5680 -3.5119 -3.4972 -0.6067 -0.5479 -0.4945 -0.4874 -0.4702 -0.3404 -0.3216 -0.2848 -0.2634 -0.1078 0.0514 0.1795 0.2282 0.3313 0.4069 0.4324 0.5243 0.5966 0.6302 0.7227 0.7415 0.8159 0.8576 0.9169 4.9728 4.9812 5.2274 5.2399 6.0820 6.0932 6.2103 6.2303 6.2546 6.2820 k = 0.2069 0.1195-0.0000 ( 9975 PWs) bands (ev): -15.1667 -15.1666 -15.0385 -15.0383 -12.9113 -12.9111 -12.8786 -12.8785 -12.8639 -12.8637 -12.8266 -12.8266 -8.8050 -8.8044 -8.5602 -8.5581 -4.5779 -4.5615 -4.4574 -4.4452 -3.7748 -3.7733 -3.6864 -3.6811 -3.5719 -3.5588 -3.5046 -3.4888 -0.6214 -0.5632 -0.5082 -0.5016 -0.4850 -0.3447 -0.3285 -0.3017 -0.2704 -0.1080 0.0638 0.1633 0.2354 0.3315 0.3802 0.4330 0.5430 0.5891 0.6272 0.7266 0.7405 0.8111 0.8533 0.9209 4.9772 4.9863 5.2031 5.2157 6.0688 6.0796 6.2064 6.2271 6.2773 6.3052 k = 0.2241 0.1294-0.0000 ( 9955 PWs) bands (ev): -15.1615 -15.1614 -15.0376 -15.0374 -12.9196 -12.9194 -12.8822 -12.8821 -12.8690 -12.8688 -12.8267 -12.8267 -8.7924 -8.7918 -8.5552 -8.5529 -4.5742 -4.5569 -4.4545 -4.4417 -3.7772 -3.7759 -3.6827 -3.6775 -3.5630 -3.5493 -3.4967 -3.4799 -0.6359 -0.5779 -0.5245 -0.5153 -0.4965 -0.3513 -0.3371 -0.3204 -0.2772 -0.1125 0.0694 0.1460 0.2351 0.3244 0.3689 0.4382 0.5613 0.5842 0.6227 0.7333 0.7432 0.8085 0.8499 0.9253 4.9794 4.9892 5.1769 5.1894 6.0553 6.0655 6.2000 6.2214 6.3040 6.3321 k = 0.2414 0.1394-0.0000 ( 9959 PWs) bands (ev): -15.1561 -15.1559 -15.0367 -15.0366 -12.9280 -12.9278 -12.8858 -12.8857 -12.8742 -12.8740 -12.8269 -12.8269 -8.7794 -8.7787 -8.5502 -8.5479 -4.5701 -4.5523 -4.4515 -4.4382 -3.7800 -3.7788 -3.6787 -3.6737 -3.5539 -3.5399 -3.4881 -3.4707 -0.6501 -0.5919 -0.5412 -0.5295 -0.5057 -0.3602 -0.3512 -0.3374 -0.2832 -0.1213 0.0635 0.1365 0.2206 0.3156 0.3706 0.4495 0.5734 0.5862 0.6177 0.7385 0.7528 0.8083 0.8476 0.9301 4.9794 4.9899 5.1495 5.1617 6.0416 6.0512 6.1923 6.2139 6.3331 6.3613 k = 0.2586 0.1493-0.0000 ( 9959 PWs) bands (ev): -15.1505 -15.1503 -15.0360 -15.0358 -12.9364 -12.9362 -12.8896 -12.8895 -12.8793 -12.8791 -12.8272 -12.8272 -8.7661 -8.7654 -8.5454 -8.5430 -4.5658 -4.5475 -4.4483 -4.4346 -3.7830 -3.7819 -3.6746 -3.6699 -3.5445 -3.5304 -3.4791 -3.4613 -0.6638 -0.6051 -0.5577 -0.5438 -0.5138 -0.3751 -0.3690 -0.3505 -0.2885 -0.1342 0.0464 0.1369 0.1936 0.3130 0.3754 0.4660 0.5727 0.6006 0.6128 0.7432 0.7669 0.8105 0.8470 0.9354 4.9774 4.9885 5.1215 5.1333 6.0278 6.0369 6.1833 6.2049 6.3637 6.3916 k = 0.2759 0.1593-0.0000 ( 9939 PWs) bands (ev): -15.1447 -15.1446 -15.0354 -15.0352 -12.9446 -12.9444 -12.8936 -12.8935 -12.8841 -12.8840 -12.8276 -12.8276 -8.7526 -8.7519 -8.5409 -8.5385 -4.5613 -4.5428 -4.4450 -4.4311 -3.7862 -3.7851 -3.6704 -3.6661 -3.5350 -3.5211 -3.4698 -3.4520 -0.6771 -0.6174 -0.5737 -0.5579 -0.5211 -0.3999 -0.3822 -0.3629 -0.2933 -0.1508 0.0251 0.1415 0.1620 0.3119 0.3821 0.4854 0.5700 0.6081 0.6167 0.7486 0.7829 0.8154 0.8487 0.9411 4.9734 4.9850 5.0936 5.1048 6.0141 6.0226 6.1735 6.1947 6.3949 6.4224 k = 0.2931 0.1692-0.0000 ( 9945 PWs) bands (ev): -15.1390 -15.1388 -15.0349 -15.0348 -12.9527 -12.9525 -12.8979 -12.8977 -12.8885 -12.8884 -12.8281 -12.8280 -8.7391 -8.7384 -8.5367 -8.5343 -4.5567 -4.5382 -4.4416 -4.4277 -3.7893 -3.7883 -3.6664 -3.6624 -3.5255 -3.5120 -3.4604 -3.4427 -0.6896 -0.6290 -0.5890 -0.5717 -0.5280 -0.4265 -0.3968 -0.3752 -0.2982 -0.1705 0.0044 0.1269 0.1504 0.3085 0.3910 0.5053 0.5674 0.6043 0.6317 0.7541 0.7994 0.8228 0.8537 0.9472 4.9675 4.9795 5.0663 5.0770 6.0006 6.0086 6.1629 6.1836 6.4260 6.4528 k = 0.3103 0.1792-0.0000 ( 9925 PWs) bands (ev): -15.1332 -15.1330 -15.0346 -15.0345 -12.9604 -12.9603 -12.9024 -12.9022 -12.8924 -12.8923 -12.8285 -12.8285 -8.7257 -8.7250 -8.5330 -8.5305 -4.5520 -4.5338 -4.4382 -4.4244 -3.7924 -3.7913 -3.6625 -3.6588 -3.5161 -3.5032 -3.4510 -3.4338 -0.7015 -0.6398 -0.6035 -0.5849 -0.5345 -0.4536 -0.4129 -0.3876 -0.3034 -0.1924 -0.0139 0.0967 0.1560 0.3020 0.4020 0.5243 0.5652 0.6012 0.6460 0.7586 0.8155 0.8329 0.8623 0.9538 4.9598 4.9722 5.0406 5.0506 5.9876 5.9949 6.1519 6.1717 6.4564 6.4823 k = 0.3276 0.1891-0.0000 ( 9933 PWs) bands (ev): -15.1274 -15.1273 -15.0345 -15.0344 -12.9678 -12.9677 -12.9070 -12.9069 -12.8958 -12.8957 -12.8290 -12.8290 -8.7125 -8.7118 -8.5297 -8.5273 -4.5473 -4.5296 -4.4348 -4.4213 -3.7953 -3.7941 -3.6588 -3.6554 -3.5070 -3.4948 -3.4418 -3.4254 -0.7125 -0.6501 -0.6176 -0.5971 -0.5408 -0.4804 -0.4297 -0.4001 -0.3091 -0.2154 -0.0291 0.0689 0.1613 0.2931 0.4140 0.5413 0.5632 0.5988 0.6597 0.7616 0.8310 0.8452 0.8745 0.9606 4.9500 4.9626 5.0172 5.0266 5.9750 5.9818 6.1406 6.1594 6.4856 6.5103 k = 0.3448 0.1991-0.0000 ( 9931 PWs) bands (ev): -15.1217 -15.1216 -15.0346 -15.0345 -12.9748 -12.9746 -12.9116 -12.9115 -12.8987 -12.8986 -12.8295 -12.8295 -8.6998 -8.6991 -8.5269 -8.5245 -4.5426 -4.5257 -4.4314 -4.4185 -3.7980 -3.7968 -3.6553 -3.6523 -3.4982 -3.4869 -3.4329 -3.4175 -0.7227 -0.6599 -0.6312 -0.6079 -0.5471 -0.5063 -0.4463 -0.4129 -0.3151 -0.2383 -0.0414 0.0444 0.1657 0.2825 0.4264 0.5551 0.5621 0.5972 0.6727 0.7630 0.8462 0.8589 0.8893 0.9675 4.9381 4.9505 4.9971 5.0058 5.9632 5.9694 6.1293 6.1468 6.5132 6.5364 k = 0.3621 0.2090-0.0000 ( 9935 PWs) bands (ev): -15.1163 -15.1162 -15.0349 -15.0348 -12.9812 -12.9811 -12.9161 -12.9160 -12.9013 -12.9012 -12.8300 -12.8300 -8.6876 -8.6869 -8.5246 -8.5224 -4.5380 -4.5221 -4.4281 -4.4159 -3.8004 -3.7992 -3.6522 -3.6494 -3.4899 -3.4797 -3.4246 -3.4103 -0.7317 -0.6696 -0.6442 -0.6169 -0.5539 -0.5306 -0.4619 -0.4262 -0.3212 -0.2601 -0.0510 0.0233 0.1691 0.2710 0.4386 0.5579 0.5689 0.5968 0.6850 0.7632 0.8612 0.8733 0.9053 0.9744 4.9242 4.9358 4.9811 4.9888 5.9522 5.9578 6.1183 6.1344 6.5387 6.5602 k = 0.3793 0.2190-0.0000 ( 9930 PWs) bands (ev): -15.1110 -15.1109 -15.0354 -15.0353 -12.9871 -12.9869 -12.9202 -12.9201 -12.9036 -12.9035 -12.8305 -12.8305 -8.6761 -8.6754 -8.5229 -8.5208 -4.5336 -4.5190 -4.4249 -4.4136 -3.8025 -3.8013 -3.6493 -3.6468 -3.4822 -3.4731 -3.4168 -3.4039 -0.7397 -0.6795 -0.6557 -0.6241 -0.5622 -0.5522 -0.4760 -0.4395 -0.3270 -0.2799 -0.0584 0.0054 0.1718 0.2591 0.4504 0.5555 0.5775 0.5978 0.6964 0.7625 0.8759 0.8875 0.9216 0.9810 4.9091 4.9193 4.9688 4.9754 5.9422 5.9472 6.1079 6.1224 6.5620 6.5814 k = 0.3966 0.2289-0.0000 ( 9922 PWs) bands (ev): -15.1061 -15.1061 -15.0360 -15.0359 -12.9923 -12.9922 -12.9240 -12.9239 -12.9055 -12.9055 -12.8309 -12.8309 -8.6656 -8.6649 -8.5216 -8.5197 -4.5295 -4.5164 -4.4218 -4.4117 -3.8043 -3.8031 -3.6468 -3.6445 -3.4752 -3.4674 -3.4097 -3.3984 -0.7463 -0.6904 -0.6647 -0.6297 -0.5766 -0.5663 -0.4878 -0.4525 -0.3322 -0.2971 -0.0636 -0.0099 0.1740 0.2473 0.4617 0.5521 0.5837 0.6001 0.7068 0.7614 0.8901 0.9010 0.9372 0.9871 4.8941 4.9027 4.9592 4.9648 5.9333 5.9376 6.0984 6.1111 6.5827 6.5999 k = 0.4138 0.2389-0.0000 ( 9922 PWs) bands (ev): -15.1017 -15.1016 -15.0368 -15.0367 -12.9968 -12.9967 -12.9273 -12.9272 -12.9072 -12.9071 -12.8313 -12.8313 -8.6561 -8.6554 -8.5208 -8.5191 -4.5256 -4.5143 -4.4190 -4.4102 -3.8057 -3.8047 -3.6446 -3.6426 -3.4690 -3.4624 -3.4034 -3.3938 -0.7515 -0.7020 -0.6708 -0.6341 -0.5936 -0.5761 -0.4971 -0.4650 -0.3368 -0.3116 -0.0671 -0.0227 0.1761 0.2360 0.4723 0.5480 0.5882 0.6029 0.7161 0.7599 0.9032 0.9132 0.9517 0.9923 4.8802 4.8873 4.9516 4.9563 5.9256 5.9293 6.0900 6.1008 6.6007 6.6154 k = 0.4310 0.2489-0.0000 ( 9920 PWs) bands (ev): -15.0978 -15.0977 -15.0376 -15.0375 -13.0005 -13.0004 -12.9300 -12.9300 -12.9085 -12.9085 -12.8316 -12.8316 -8.6479 -8.6473 -8.5204 -8.5189 -4.5221 -4.5129 -4.4163 -4.4091 -3.8069 -3.8060 -3.6427 -3.6410 -3.4637 -3.4584 -3.3979 -3.3901 -0.7550 -0.7138 -0.6741 -0.6380 -0.6078 -0.5859 -0.5036 -0.4763 -0.3405 -0.3232 -0.0689 -0.0336 0.1782 0.2254 0.4824 0.5430 0.5920 0.6053 0.7243 0.7581 0.9149 0.9236 0.9646 0.9963 4.8682 4.8737 4.9456 4.9494 5.9193 5.9222 6.0829 6.0917 6.6159 6.6279 k = 0.4483 0.2588-0.0000 ( 9920 PWs) bands (ev): -15.0945 -15.0945 -15.0384 -15.0383 -13.0035 -13.0034 -12.9322 -12.9322 -12.9096 -12.9096 -12.8319 -12.8319 -8.6412 -8.6407 -8.5202 -8.5190 -4.5191 -4.5120 -4.4140 -4.4085 -3.8077 -3.8070 -3.6412 -3.6399 -3.4594 -3.4554 -3.3934 -3.3874 -0.7567 -0.7249 -0.6748 -0.6427 -0.6176 -0.5956 -0.5075 -0.4863 -0.3433 -0.3320 -0.0693 -0.0429 0.1808 0.2157 0.4919 0.5373 0.5955 0.6066 0.7314 0.7559 0.9249 0.9318 0.9757 0.9990 4.8585 4.8627 4.9412 4.9440 5.9143 5.9166 6.0775 6.0842 6.6281 6.6373 k = 0.4655 0.2688-0.0000 ( 9930 PWs) bands (ev): -15.0921 -15.0920 -15.0391 -15.0390 -13.0056 -13.0055 -12.9338 -12.9338 -12.9104 -12.9103 -12.8321 -12.8321 -8.6362 -8.6358 -8.5201 -8.5193 -4.5165 -4.5117 -4.4121 -4.4083 -3.8082 -3.8078 -3.6400 -3.6391 -3.4561 -3.4534 -3.3898 -3.3858 -0.7565 -0.7349 -0.6733 -0.6494 -0.6217 -0.6045 -0.5090 -0.4946 -0.3450 -0.3383 -0.0682 -0.0506 0.1841 0.2071 0.5008 0.5311 0.5988 0.6068 0.7375 0.7534 0.9326 0.9374 0.9848 1.0001 4.8516 4.8544 4.9381 4.9401 5.9109 5.9124 6.0738 6.0783 6.6374 6.6435 k = 0.4828 0.2787-0.0000 ( 9912 PWs) bands (ev): -15.0905 -15.0905 -15.0395 -15.0395 -13.0069 -13.0068 -12.9348 -12.9348 -12.9108 -12.9108 -12.8322 -12.8322 -8.6330 -8.6329 -8.5200 -8.5196 -4.5144 -4.5120 -4.4105 -4.4086 -3.8085 -3.8083 -3.6392 -3.6387 -3.4538 -3.4525 -3.3872 -3.3852 -0.7542 -0.7433 -0.6696 -0.6570 -0.6213 -0.6120 -0.5084 -0.5011 -0.3456 -0.3425 -0.0658 -0.0570 0.1882 0.1996 0.5091 0.5243 0.6018 0.6060 0.7426 0.7505 0.9379 0.9403 0.9918 0.9994 4.8477 4.8491 4.9365 4.9375 5.9090 5.9097 6.0720 6.0743 6.6436 6.6467 k = 0.5000 0.2887-0.0000 ( 9910 PWs) bands (ev): -15.0900 -15.0900 -15.0397 -15.0397 -13.0073 -13.0073 -12.9351 -12.9351 -12.9110 -12.9110 -12.8323 -12.8323 -8.6319 -8.6319 -8.5199 -8.5199 -4.5129 -4.5129 -4.4093 -4.4093 -3.8085 -3.8085 -3.6388 -3.6388 -3.4526 -3.4526 -3.3857 -3.3857 -0.7498 -0.7498 -0.6641 -0.6641 -0.6178 -0.6178 -0.5057 -0.5057 -0.3448 -0.3448 -0.0620 -0.0620 0.1934 0.1934 0.5169 0.5169 0.6042 0.6042 0.7469 0.7469 0.9405 0.9405 0.9966 0.9966 4.8469 4.8469 4.9363 4.9363 5.9086 5.9086 6.0722 6.0722 6.6467 6.6467 k = 0.5000 0.2887-0.0000 ( 9910 PWs) bands (ev): -15.0900 -15.0900 -15.0397 -15.0397 -13.0073 -13.0073 -12.9351 -12.9351 -12.9110 -12.9110 -12.8323 -12.8323 -8.6319 -8.6319 -8.5199 -8.5199 -4.5129 -4.5129 -4.4093 -4.4093 -3.8085 -3.8085 -3.6388 -3.6388 -3.4526 -3.4526 -3.3857 -3.3857 -0.7498 -0.7498 -0.6641 -0.6641 -0.6178 -0.6178 -0.5057 -0.5057 -0.3448 -0.3448 -0.0620 -0.0620 0.1934 0.1934 0.5169 0.5169 0.6042 0.6042 0.7469 0.7469 0.9405 0.9405 0.9966 0.9966 4.8469 4.8469 4.9363 4.9363 5.9086 5.9086 6.0722 6.0722 6.6467 6.6467 k = 0.4902 0.3057-0.0000 ( 9914 PWs) bands (ev): -15.0898 -15.0898 -15.0397 -15.0397 -13.0074 -13.0074 -12.9350 -12.9350 -12.9109 -12.9109 -12.8326 -12.8326 -8.6316 -8.6315 -8.5200 -8.5198 -4.5134 -4.5117 -4.4101 -4.4085 -3.8090 -3.8080 -3.6391 -3.6379 -3.4548 -3.4512 -3.3883 -3.3835 -0.7559 -0.7447 -0.6745 -0.6560 -0.6312 -0.6048 -0.5074 -0.5031 -0.3484 -0.3391 -0.0686 -0.0547 0.1896 0.1957 0.5133 0.5208 0.5987 0.6100 0.7441 0.7499 0.9384 0.9432 0.9960 0.9978 4.8436 4.8457 4.9335 4.9348 5.9100 5.9112 6.0746 6.0759 6.6444 6.6462 k = 0.4804 0.3226-0.0000 ( 9920 PWs) bands (ev): -15.0894 -15.0894 -15.0398 -15.0398 -13.0078 -13.0078 -12.9346 -12.9346 -12.9109 -12.9109 -12.8336 -12.8336 -8.6304 -8.6303 -8.5201 -8.5199 -4.5132 -4.5096 -4.4108 -4.4078 -3.8095 -3.8076 -3.6388 -3.6363 -3.4579 -3.4508 -3.3912 -3.3816 -0.7627 -0.7413 -0.6863 -0.6506 -0.6447 -0.5928 -0.5070 -0.5011 -0.3496 -0.3312 -0.0743 -0.0470 0.1844 0.1964 0.5100 0.5245 0.5936 0.6161 0.7417 0.7531 0.9371 0.9465 0.9960 0.9996 4.8362 4.8403 4.9264 4.9288 5.9155 5.9179 6.0831 6.0856 6.6396 6.6431 k = 0.4706 0.3396-0.0000 ( 9934 PWs) bands (ev): -15.0887 -15.0887 -15.0400 -15.0400 -13.0084 -13.0084 -12.9340 -12.9339 -12.9108 -12.9108 -12.8353 -12.8352 -8.6285 -8.6283 -8.5204 -8.5200 -4.5121 -4.5069 -4.4116 -4.4070 -3.8099 -3.8072 -3.6379 -3.6342 -3.4617 -3.4514 -3.3942 -3.3802 -0.7699 -0.7408 -0.6981 -0.6581 -0.6476 -0.5821 -0.5046 -0.5001 -0.3481 -0.3210 -0.0790 -0.0392 0.1780 0.1956 0.5072 0.5280 0.5886 0.6226 0.7396 0.7562 0.9367 0.9502 0.9965 1.0019 4.8253 4.8310 4.9154 4.9188 5.9250 5.9283 6.0972 6.1006 6.6322 6.6375 k = 0.4608 0.3566-0.0000 ( 9926 PWs) bands (ev): -15.0877 -15.0876 -15.0403 -15.0402 -13.0093 -13.0093 -12.9331 -12.9331 -12.9107 -12.9107 -12.8375 -12.8375 -8.6259 -8.6256 -8.5208 -8.5202 -4.5104 -4.5034 -4.4123 -4.4063 -3.8103 -3.8069 -3.6363 -3.6315 -3.4661 -3.4530 -3.3973 -3.3792 -0.7773 -0.7448 -0.7088 -0.6697 -0.6467 -0.5733 -0.5057 -0.4960 -0.3444 -0.3081 -0.0827 -0.0314 0.1702 0.1930 0.5051 0.5311 0.5840 0.6296 0.7380 0.7592 0.9371 0.9543 0.9975 1.0048 4.8115 4.8186 4.9009 4.9051 5.9381 5.9422 6.1163 6.1202 6.6227 6.6296 k = 0.4510 0.3736-0.0000 ( 9922 PWs) bands (ev): -15.0864 -15.0863 -15.0406 -15.0406 -13.0104 -13.0104 -12.9320 -12.9319 -12.9105 -12.9105 -12.8404 -12.8403 -8.6225 -8.6222 -8.5212 -8.5205 -4.5079 -4.4993 -4.4132 -4.4056 -3.8107 -3.8066 -3.6341 -3.6282 -3.4711 -3.4556 -3.4005 -3.3787 -0.7849 -0.7534 -0.7190 -0.6780 -0.6473 -0.5662 -0.5111 -0.4888 -0.3385 -0.2922 -0.0855 -0.0241 0.1613 0.1887 0.5038 0.5336 0.5796 0.6370 0.7368 0.7619 0.9386 0.9588 0.9989 1.0082 4.7956 4.8037 4.8835 4.8882 5.9544 5.9590 6.1394 6.1434 6.6113 6.6198 k = 0.4412 0.3906-0.0000 ( 9914 PWs) bands (ev): -15.0848 -15.0848 -15.0411 -15.0410 -13.0117 -13.0117 -12.9306 -12.9306 -12.9102 -12.9102 -12.8438 -12.8437 -8.6185 -8.6181 -8.5219 -8.5210 -4.5048 -4.4946 -4.4141 -4.4051 -3.8110 -3.8065 -3.6312 -3.6243 -3.4766 -3.4593 -3.4035 -3.3786 -0.7925 -0.7650 -0.7306 -0.6821 -0.6487 -0.5605 -0.5191 -0.4812 -0.3305 -0.2737 -0.0874 -0.0175 0.1512 0.1826 0.5033 0.5354 0.5755 0.6450 0.7362 0.7641 0.9410 0.9635 1.0006 1.0119 4.7786 4.7874 4.8638 4.8690 5.9731 5.9781 6.1658 6.1696 6.5985 6.6083 k = 0.4314 0.4075-0.0000 ( 9922 PWs) bands (ev): -15.0831 -15.0830 -15.0416 -15.0416 -13.0131 -13.0131 -12.9291 -12.9290 -12.9099 -12.9098 -12.8478 -12.8477 -8.6139 -8.6134 -8.5227 -8.5218 -4.5011 -4.4895 -4.4152 -4.4047 -3.8113 -3.8065 -3.6276 -3.6197 -3.4825 -3.4639 -3.4064 -3.3789 -0.8001 -0.7776 -0.7436 -0.6833 -0.6505 -0.5562 -0.5285 -0.4747 -0.3203 -0.2530 -0.0888 -0.0119 0.1401 0.1747 0.5036 0.5366 0.5717 0.6534 0.7359 0.7659 0.9444 0.9684 1.0026 1.0161 4.7612 4.7703 4.8426 4.8481 5.9934 5.9987 6.1944 6.1978 6.5846 6.5958 k = 0.4216 0.4245-0.0000 ( 9928 PWs) bands (ev): -15.0811 -15.0810 -15.0423 -15.0423 -13.0147 -13.0147 -12.9273 -12.9272 -12.9094 -12.9093 -12.8521 -12.8520 -8.6088 -8.6082 -8.5238 -8.5228 -4.4969 -4.4838 -4.4165 -4.4046 -3.8115 -3.8066 -3.6233 -3.6146 -3.4888 -3.4693 -3.4092 -3.3796 -0.8078 -0.7901 -0.7571 -0.6831 -0.6524 -0.5544 -0.5371 -0.4704 -0.3074 -0.2307 -0.0899 -0.0076 0.1281 0.1651 0.5047 0.5372 0.5681 0.6621 0.7360 0.7669 0.9487 0.9735 1.0047 1.0204 4.7441 4.7533 4.8206 4.8264 6.0146 6.0201 6.2247 6.2275 6.5704 6.5826 k = 0.4118 0.4415-0.0000 ( 9932 PWs) bands (ev): -15.0788 -15.0788 -15.0432 -15.0431 -13.0164 -13.0163 -12.9253 -12.9252 -12.9087 -12.9087 -12.8569 -12.8568 -8.6033 -8.6026 -8.5252 -8.5241 -4.4923 -4.4779 -4.4180 -4.4048 -3.8116 -3.8068 -3.6183 -3.6088 -3.4953 -3.4754 -3.4119 -3.3805 -0.8155 -0.8016 -0.7700 -0.6825 -0.6540 -0.5594 -0.5399 -0.4686 -0.2921 -0.2073 -0.0909 -0.0046 0.1155 0.1537 0.5066 0.5374 0.5647 0.6711 0.7364 0.7672 0.9537 0.9788 1.0068 1.0248 4.7280 4.7371 4.7986 4.8046 6.0357 6.0414 6.2559 6.2581 6.5563 6.5694 k = 0.4020 0.4585-0.0000 ( 9914 PWs) bands (ev): -15.0765 -15.0764 -15.0441 -15.0441 -13.0181 -13.0180 -12.9232 -12.9231 -12.9079 -12.9079 -12.8620 -12.8619 -8.5974 -8.5966 -8.5269 -8.5257 -4.4873 -4.4717 -4.4199 -4.4053 -3.8117 -3.8071 -3.6128 -3.6025 -3.5019 -3.4820 -3.4144 -3.3817 -0.8234 -0.8120 -0.7819 -0.6821 -0.6550 -0.5698 -0.5376 -0.4690 -0.2746 -0.1835 -0.0921 -0.0032 0.1025 0.1408 0.5092 0.5373 0.5614 0.6801 0.7370 0.7667 0.9594 0.9841 1.0089 1.0291 4.7133 4.7220 4.7771 4.7834 6.0560 6.0618 6.2871 6.2894 6.5430 6.5567 k = 0.3922 0.4755-0.0000 ( 9922 PWs) bands (ev): -15.0739 -15.0739 -15.0453 -15.0453 -13.0197 -13.0197 -12.9208 -12.9208 -12.9070 -12.9069 -12.8673 -12.8672 -8.5912 -8.5903 -8.5291 -8.5278 -4.4821 -4.4655 -4.4220 -4.4062 -3.8117 -3.8075 -3.6067 -3.5958 -3.5086 -3.4890 -3.4167 -3.3829 -0.8313 -0.8212 -0.7923 -0.6822 -0.6553 -0.5816 -0.5338 -0.4714 -0.2553 -0.1600 -0.0936 -0.0035 0.0897 0.1265 0.5123 0.5371 0.5582 0.6892 0.7378 0.7654 0.9655 0.9893 1.0108 1.0331 4.7006 4.7087 4.7568 4.7634 6.0746 6.0805 6.3179 6.3209 6.5312 6.5450 k = 0.3824 0.4924-0.0000 ( 9908 PWs) bands (ev): -15.0713 -15.0712 -15.0467 -15.0466 -13.0213 -13.0213 -12.9184 -12.9183 -12.9059 -12.9058 -12.8728 -12.8727 -8.5848 -8.5838 -8.5317 -8.5303 -4.4768 -4.4592 -4.4245 -4.4075 -3.8117 -3.8080 -3.6001 -3.5889 -3.5152 -3.4963 -3.4188 -3.3841 -0.8385 -0.8293 -0.8009 -0.6827 -0.6547 -0.5933 -0.5296 -0.4752 -0.2348 -0.1379 -0.0951 -0.0053 0.0775 0.1111 0.5159 0.5368 0.5550 0.6980 0.7385 0.7633 0.9717 0.9944 1.0125 1.0368 4.6901 4.6974 4.7381 4.7452 6.0910 6.0966 6.3480 6.3521 6.5213 6.5350 k = 0.3725 0.5094-0.0000 ( 9912 PWs) bands (ev): -15.0685 -15.0685 -15.0483 -15.0483 -13.0228 -13.0227 -12.9158 -12.9157 -12.9046 -12.9045 -12.8784 -12.8783 -8.5783 -8.5772 -8.5348 -8.5334 -4.4716 -4.4532 -4.4273 -4.4091 -3.8116 -3.8085 -3.5934 -3.5820 -3.5213 -3.5037 -3.4206 -3.3853 -0.8448 -0.8365 -0.8076 -0.6837 -0.6532 -0.6046 -0.5249 -0.4801 -0.2136 -0.1197 -0.0958 -0.0077 0.0666 0.0947 0.5197 0.5365 0.5519 0.7066 0.7393 0.7603 0.9777 0.9992 1.0137 1.0400 4.6821 4.6883 4.7215 4.7293 6.1046 6.1096 6.3769 6.3823 6.5138 6.5268 k = 0.3627 0.5264-0.0000 ( 9902 PWs) bands (ev): -15.0657 -15.0657 -15.0502 -15.0501 -13.0240 -13.0240 -12.9131 -12.9131 -12.9031 -12.9031 -12.8839 -12.8838 -8.5718 -8.5706 -8.5384 -8.5370 -4.4667 -4.4476 -4.4303 -4.4109 -3.8114 -3.8090 -3.5865 -3.5756 -3.5267 -3.5110 -3.4221 -3.3863 -0.8497 -0.8427 -0.8127 -0.6849 -0.6508 -0.6150 -0.5200 -0.4856 -0.1924 -0.1112 -0.0922 -0.0083 0.0573 0.0778 0.5236 0.5363 0.5488 0.7148 0.7399 0.7567 0.9831 1.0037 1.0145 1.0426 4.6766 4.6815 4.7074 4.7161 6.1151 6.1193 6.4044 6.4110 6.5086 6.5205 k = 0.3529 0.5434-0.0000 ( 9920 PWs) bands (ev): -15.0629 -15.0628 -15.0523 -15.0522 -13.0249 -13.0249 -12.9105 -12.9104 -12.9015 -12.9014 -12.8893 -12.8891 -8.5654 -8.5641 -8.5426 -8.5413 -4.4624 -4.4427 -4.4333 -4.4129 -3.8112 -3.8096 -3.5800 -3.5708 -3.5305 -3.5180 -3.4232 -3.3870 -0.8529 -0.8478 -0.8163 -0.6860 -0.6475 -0.6242 -0.5148 -0.4915 -0.1723 -0.1113 -0.0887 -0.0030 0.0496 0.0607 0.5270 0.5364 0.5457 0.7222 0.7404 0.7525 0.9875 1.0075 1.0147 1.0445 4.6737 4.6769 4.6960 4.7062 6.1224 6.1254 6.4297 6.4372 6.5047 6.5152 k = 0.3431 0.5604-0.0000 ( 9934 PWs) bands (ev): -15.0601 -15.0600 -15.0546 -15.0546 -13.0255 -13.0255 -12.9081 -12.9080 -12.8997 -12.8997 -12.8941 -12.8940 -8.5592 -8.5578 -8.5475 -8.5461 -4.4591 -4.4391 -4.4359 -4.4145 -3.8109 -3.8101 -3.5743 -3.5687 -3.5314 -3.5242 -3.4239 -3.3874 -0.8543 -0.8515 -0.8183 -0.6869 -0.6434 -0.6321 -0.5094 -0.4976 -0.1562 -0.1112 -0.0930 0.0099 0.0419 0.0454 0.5294 0.5375 0.5428 0.7283 0.7412 0.7479 0.9904 1.0107 1.0142 1.0456 4.6730 4.6742 4.6881 4.6999 6.1268 6.1284 6.4514 6.4583 6.5003 6.5083 k = 0.3333 0.5774-0.0000 ( 9948 PWs) bands (ev): -15.0573 -15.0573 -15.0572 -15.0571 -13.0258 -13.0258 -12.9068 -12.9068 -12.8984 -12.8984 -12.8969 -12.8969 -8.5542 -8.5520 -8.5520 -8.5513 -4.4578 -4.4373 -4.4373 -4.4152 -3.8105 -3.8105 -3.5702 -3.5702 -3.5290 -3.5290 -3.4241 -3.3876 -0.8538 -0.8538 -0.8190 -0.6872 -0.6384 -0.6384 -0.5036 -0.5036 -0.1500 -0.1036 -0.1036 0.0269 0.0269 0.0408 0.5301 0.5399 0.5399 0.7309 0.7436 0.7436 0.9915 1.0129 1.0129 1.0460 4.6733 4.6733 4.6851 4.6978 6.1287 6.1287 6.4650 6.4650 6.4996 6.4996 k = 0.3333 0.5774-0.0000 ( 9948 PWs) bands (ev): -15.0573 -15.0573 -15.0572 -15.0571 -13.0258 -13.0258 -12.9068 -12.9068 -12.8984 -12.8984 -12.8969 -12.8969 -8.5542 -8.5520 -8.5520 -8.5513 -4.4578 -4.4373 -4.4373 -4.4152 -3.8105 -3.8105 -3.5702 -3.5702 -3.5290 -3.5290 -3.4241 -3.3876 -0.8538 -0.8538 -0.8190 -0.6872 -0.6384 -0.6384 -0.5036 -0.5036 -0.1500 -0.1036 -0.1036 0.0269 0.0269 0.0408 0.5301 0.5399 0.5399 0.7309 0.7436 0.7436 0.9915 1.0129 1.0129 1.0460 4.6733 4.6733 4.6851 4.6978 6.1287 6.1287 6.4650 6.4650 6.4996 6.4996 k = 0.3235 0.5604-0.0000 ( 9932 PWs) bands (ev): -15.0602 -15.0601 -15.0545 -15.0544 -13.0255 -13.0255 -12.9085 -12.9085 -12.8981 -12.8980 -12.8953 -12.8952 -8.5595 -8.5579 -8.5474 -8.5459 -4.4592 -4.4380 -4.4369 -4.4145 -3.8109 -3.8101 -3.5743 -3.5687 -3.5315 -3.5244 -3.4239 -3.3875 -0.8545 -0.8513 -0.8183 -0.6868 -0.6429 -0.6326 -0.5094 -0.4975 -0.1546 -0.1172 -0.0878 0.0119 0.0322 0.0526 0.5296 0.5371 0.5430 0.7285 0.7404 0.7484 0.9904 1.0108 1.0139 1.0456 4.6733 4.6741 4.6881 4.6999 6.1270 6.1286 6.4515 6.4590 6.5017 6.5089 k = 0.3137 0.5434-0.0000 ( 9924 PWs) bands (ev): -15.0634 -15.0633 -15.0519 -15.0518 -13.0248 -13.0248 -12.9122 -12.9121 -12.8960 -12.8959 -12.8930 -12.8929 -8.5663 -8.5649 -8.5422 -8.5406 -4.4627 -4.4408 -4.4353 -4.4128 -3.8111 -3.8096 -3.5798 -3.5704 -3.5311 -3.5187 -3.4232 -3.3871 -0.8536 -0.8468 -0.8161 -0.6854 -0.6454 -0.6259 -0.5149 -0.4911 -0.1651 -0.1316 -0.0695 -0.0010 0.0296 0.0742 0.5282 0.5344 0.5462 0.7230 0.7380 0.7541 0.9869 1.0078 1.0133 1.0446 4.6745 4.6768 4.6957 4.7058 6.1241 6.1271 6.4315 6.4410 6.5106 6.5183 k = 0.3039 0.5264-0.0000 ( 9928 PWs) bands (ev): -15.0669 -15.0669 -15.0493 -15.0492 -13.0235 -13.0235 -12.9161 -12.9160 -12.8934 -12.8932 -12.8904 -12.8903 -8.5740 -8.5726 -8.5374 -8.5357 -4.4675 -4.4450 -4.4331 -4.4107 -3.8112 -3.8090 -3.5860 -3.5747 -3.5286 -3.5131 -3.4222 -3.3867 -0.8513 -0.8405 -0.8122 -0.6829 -0.6457 -0.6184 -0.5199 -0.4843 -0.1790 -0.1455 -0.0530 -0.0097 0.0272 0.0969 0.5260 0.5318 0.5494 0.7160 0.7355 0.7597 0.9811 1.0036 1.0109 1.0428 4.6780 4.6818 4.7065 4.7150 6.1205 6.1248 6.4110 6.4212 6.5186 6.5252 k = 0.2941 0.5094-0.0000 ( 9924 PWs) bands (ev): -15.0708 -15.0707 -15.0469 -15.0468 -13.0217 -13.0216 -12.9198 -12.9197 -12.8906 -12.8905 -12.8875 -12.8874 -8.5823 -8.5810 -8.5332 -8.5313 -4.4731 -4.4501 -4.4311 -4.4087 -3.8111 -3.8083 -3.5925 -3.5804 -3.5252 -3.5079 -3.4210 -3.3863 -0.8474 -0.8324 -0.8065 -0.6790 -0.6437 -0.6103 -0.5242 -0.4770 -0.1949 -0.1583 -0.0453 -0.0079 0.0254 0.1196 0.5230 0.5293 0.5524 0.7081 0.7324 0.7651 0.9732 0.9981 1.0066 1.0404 4.6844 4.6895 4.7199 4.7270 6.1167 6.1222 6.3914 6.4021 6.5246 6.5300 k = 0.2843 0.4924-0.0000 ( 9933 PWs) bands (ev): -15.0749 -15.0748 -15.0447 -15.0446 -13.0192 -13.0191 -12.9230 -12.9229 -12.8879 -12.8878 -12.8844 -12.8843 -8.5914 -8.5901 -8.5296 -8.5276 -4.4792 -4.4557 -4.4294 -4.4072 -3.8108 -3.8074 -3.5992 -3.5868 -3.5217 -3.5034 -3.4198 -3.3861 -0.8421 -0.8230 -0.7986 -0.6736 -0.6392 -0.6017 -0.5276 -0.4692 -0.2117 -0.1702 -0.0480 0.0056 0.0247 0.1420 0.5192 0.5267 0.5552 0.6997 0.7287 0.7702 0.9631 0.9909 1.0002 1.0372 4.6936 4.6997 4.7357 4.7416 6.1133 6.1197 6.3733 6.3844 6.5285 6.5330 k = 0.2745 0.4755-0.0000 ( 9925 PWs) bands (ev): -15.0793 -15.0792 -15.0426 -15.0425 -13.0161 -13.0161 -12.9257 -12.9256 -12.8852 -12.8851 -12.8811 -12.8810 -8.6011 -8.5999 -8.5266 -8.5245 -4.4856 -4.4618 -4.4282 -4.4062 -3.8103 -3.8065 -3.6059 -3.5936 -3.5186 -3.4997 -3.4187 -3.3863 -0.8356 -0.8126 -0.7882 -0.6666 -0.6322 -0.5930 -0.5296 -0.4608 -0.2287 -0.1809 -0.0533 0.0207 0.0275 0.1639 0.5148 0.5236 0.5578 0.6908 0.7243 0.7750 0.9512 0.9821 0.9920 1.0331 4.7055 4.7126 4.7536 4.7584 6.1105 6.1176 6.3570 6.3682 6.5303 6.5340 k = 0.2647 0.4585-0.0000 ( 9929 PWs) bands (ev): -15.0840 -15.0839 -15.0408 -15.0407 -13.0124 -13.0123 -12.9278 -12.9278 -12.8825 -12.8824 -12.8778 -12.8777 -8.6116 -8.6104 -8.5242 -8.5221 -4.4922 -4.4682 -4.4275 -4.4057 -3.8095 -3.8054 -3.6125 -3.6005 -3.5161 -3.4970 -3.4181 -3.3871 -0.8277 -0.8016 -0.7751 -0.6581 -0.6225 -0.5848 -0.5299 -0.4515 -0.2450 -0.1902 -0.0580 0.0244 0.0433 0.1851 0.5097 0.5200 0.5605 0.6815 0.7190 0.7796 0.9375 0.9716 0.9820 1.0280 4.7200 4.7280 4.7734 4.7772 6.1084 6.1160 6.3423 6.3535 6.5296 6.5329 k = 0.2549 0.4415-0.0000 ( 9929 PWs) bands (ev): -15.0889 -15.0888 -15.0392 -15.0391 -13.0081 -13.0080 -12.9294 -12.9293 -12.8798 -12.8797 -12.8744 -12.8743 -8.6226 -8.6215 -8.5226 -8.5203 -4.4990 -4.4748 -4.4273 -4.4059 -3.8085 -3.8041 -3.6190 -3.6073 -3.5142 -3.4953 -3.4181 -3.3886 -0.8187 -0.7902 -0.7595 -0.6481 -0.6103 -0.5775 -0.5277 -0.4412 -0.2604 -0.1979 -0.0611 0.0269 0.0612 0.2055 0.5039 0.5156 0.5631 0.6718 0.7129 0.7839 0.9222 0.9595 0.9704 1.0220 4.7369 4.7457 4.7949 4.7978 6.1073 6.1151 6.3294 6.3403 6.5264 6.5295 k = 0.2451 0.4245-0.0000 ( 9929 PWs) bands (ev): -15.0940 -15.0939 -15.0378 -15.0377 -13.0031 -13.0030 -12.9303 -12.9303 -12.8771 -12.8770 -12.8710 -12.8709 -8.6342 -8.6332 -8.5216 -8.5193 -4.5057 -4.4815 -4.4277 -4.4066 -3.8072 -3.8026 -3.6254 -3.6141 -3.5133 -3.4945 -3.4189 -3.3910 -0.8086 -0.7782 -0.7418 -0.6367 -0.5957 -0.5714 -0.5228 -0.4298 -0.2745 -0.2037 -0.0624 0.0307 0.0785 0.2249 0.4975 0.5104 0.5658 0.6616 0.7060 0.7880 0.9055 0.9459 0.9574 1.0151 4.7560 4.7655 4.8180 4.8199 6.1070 6.1149 6.3179 6.3285 6.5204 6.5237 k = 0.2353 0.4075-0.0000 ( 9945 PWs) bands (ev): -15.0994 -15.0993 -15.0366 -15.0365 -12.9976 -12.9975 -12.9306 -12.9306 -12.8744 -12.8743 -12.8677 -12.8675 -8.6464 -8.6454 -8.5214 -8.5190 -4.5125 -4.4884 -4.4285 -4.4079 -3.8056 -3.8009 -3.6316 -3.6208 -3.5132 -3.4947 -3.4208 -3.3944 -0.7975 -0.7656 -0.7226 -0.6241 -0.5795 -0.5656 -0.5155 -0.4171 -0.2869 -0.2073 -0.0615 0.0360 0.0949 0.2431 0.4904 0.5044 0.5686 0.6509 0.6983 0.7919 0.8877 0.9311 0.9430 1.0075 4.7767 4.7869 4.8426 4.8436 6.1075 6.1154 6.3078 6.3177 6.5116 6.5153 k = 0.2255 0.3906-0.0000 ( 9953 PWs) bands (ev): -15.1049 -15.1048 -15.0357 -15.0356 -12.9915 -12.9913 -12.9303 -12.9303 -12.8717 -12.8716 -12.8643 -12.8642 -8.6591 -8.6581 -8.5218 -8.5194 -4.5192 -4.4952 -4.4298 -4.4096 -3.8038 -3.7990 -3.6375 -3.6273 -3.5140 -3.4959 -3.4238 -3.3988 -0.7855 -0.7523 -0.7026 -0.6107 -0.5657 -0.5554 -0.5065 -0.4031 -0.2973 -0.2086 -0.0583 0.0432 0.1101 0.2600 0.4826 0.4978 0.5717 0.6395 0.6900 0.7957 0.8692 0.9155 0.9275 0.9994 4.7988 4.8095 4.8680 4.8692 6.1088 6.1164 6.2989 6.3080 6.4999 6.5044 k = 0.2157 0.3736-0.0000 ( 9953 PWs) bands (ev): -15.1106 -15.1105 -15.0350 -15.0349 -12.9849 -12.9847 -12.9294 -12.9293 -12.8690 -12.8689 -12.8611 -12.8610 -8.6721 -8.6712 -8.5229 -8.5204 -4.5258 -4.5021 -4.4315 -4.4118 -3.8016 -3.7969 -3.6433 -3.6336 -3.5158 -3.4979 -3.4280 -3.4041 -0.7727 -0.7382 -0.6826 -0.5966 -0.5574 -0.5370 -0.4967 -0.3882 -0.3054 -0.2073 -0.0526 0.0524 0.1240 0.2751 0.4737 0.4910 0.5750 0.6272 0.6813 0.7991 0.8503 0.8994 0.9111 0.9909 4.8217 4.8328 4.8942 4.8966 6.1107 6.1178 6.2909 6.2989 6.4857 6.4910 k = 0.2059 0.3566-0.0000 ( 9953 PWs) bands (ev): -15.1164 -15.1163 -15.0346 -15.0344 -12.9778 -12.9776 -12.9278 -12.9278 -12.8663 -12.8662 -12.8579 -12.8578 -8.6855 -8.6847 -8.5247 -8.5222 -4.5322 -4.5088 -4.4335 -4.4144 -3.7992 -3.7946 -3.6488 -3.6397 -3.5185 -3.5009 -3.4333 -3.4105 -0.7593 -0.7233 -0.6635 -0.5821 -0.5484 -0.5167 -0.4862 -0.3730 -0.3108 -0.2036 -0.0442 0.0638 0.1363 0.2883 0.4636 0.4848 0.5785 0.6139 0.6723 0.8014 0.8323 0.8833 0.8942 0.9823 4.8447 4.8561 4.9216 4.9255 6.1130 6.1196 6.2837 6.2905 6.4691 6.4752 k = 0.1961 0.3396-0.0000 ( 9951 PWs) bands (ev): -15.1223 -15.1222 -15.0344 -15.0342 -12.9702 -12.9701 -12.9257 -12.9256 -12.8637 -12.8636 -12.8548 -12.8547 -8.6992 -8.6984 -8.5271 -8.5245 -4.5385 -4.5154 -4.4359 -4.4173 -3.7965 -3.7922 -3.6541 -3.6456 -3.5221 -3.5048 -3.4398 -3.4177 -0.7452 -0.7078 -0.6463 -0.5677 -0.5363 -0.4966 -0.4750 -0.3585 -0.3127 -0.1972 -0.0332 0.0777 0.1470 0.2991 0.4523 0.4798 0.5815 0.6002 0.6630 0.7990 0.8191 0.8673 0.8773 0.9738 4.8671 4.8788 4.9503 4.9558 6.1157 6.1215 6.2769 6.2824 6.4504 6.4575 k = 0.1863 0.3226-0.0000 ( 9959 PWs) bands (ev): -15.1282 -15.1281 -15.0343 -15.0342 -12.9624 -12.9622 -12.9230 -12.9229 -12.8612 -12.8611 -12.8518 -12.8517 -8.7130 -8.7122 -8.5300 -8.5275 -4.5445 -4.5220 -4.4384 -4.4205 -3.7937 -3.7895 -3.6592 -3.6514 -3.5266 -3.5094 -3.4471 -3.4256 -0.7305 -0.6916 -0.6314 -0.5538 -0.5208 -0.4786 -0.4624 -0.3457 -0.3107 -0.1884 -0.0195 0.0940 0.1559 0.3075 0.4398 0.4764 0.5785 0.5916 0.6537 0.7860 0.8167 0.8516 0.8614 0.9655 4.8884 4.9002 4.9802 4.9873 6.1185 6.1235 6.2701 6.2747 6.4300 6.4381 k = 0.1765 0.3057-0.0000 ( 9947 PWs) bands (ev): -15.1342 -15.1340 -15.0345 -15.0344 -12.9542 -12.9540 -12.9198 -12.9197 -12.8587 -12.8586 -12.8490 -12.8489 -8.7269 -8.7262 -8.5335 -8.5309 -4.5503 -4.5283 -4.4411 -4.4238 -3.7906 -3.7868 -3.6640 -3.6568 -3.5319 -3.5148 -3.4553 -3.4342 -0.7152 -0.6750 -0.6184 -0.5405 -0.5027 -0.4631 -0.4485 -0.3351 -0.3046 -0.1774 -0.0035 0.1123 0.1630 0.3136 0.4264 0.4748 0.5648 0.5930 0.6445 0.7693 0.8182 0.8361 0.8480 0.9575 4.9079 4.9197 5.0114 5.0199 6.1213 6.1255 6.2629 6.2676 6.4085 6.4175 k = 0.1667 0.2887-0.0000 ( 9951 PWs) bands (ev): -15.1401 -15.1399 -15.0349 -15.0347 -12.9458 -12.9456 -12.9161 -12.9160 -12.8562 -12.8561 -12.8463 -12.8462 -8.7409 -8.7401 -8.5374 -8.5349 -4.5557 -4.5344 -4.4440 -4.4274 -3.7875 -3.7840 -3.6687 -3.6621 -3.5379 -3.5210 -3.4640 -3.4433 -0.6994 -0.6583 -0.6064 -0.5278 -0.4843 -0.4482 -0.4346 -0.3257 -0.2960 -0.1647 0.0141 0.1319 0.1688 0.3182 0.4125 0.4746 0.5502 0.5945 0.6365 0.7530 0.8153 0.8245 0.8389 0.9500 4.9252 4.9368 5.0433 5.0531 6.1238 6.1274 6.2550 6.2610 6.3862 6.3963 k = 0.1569 0.2717-0.0000 ( 9939 PWs) bands (ev): -15.1459 -15.1457 -15.0354 -15.0352 -12.9373 -12.9371 -12.9121 -12.9120 -12.8539 -12.8538 -12.8437 -12.8437 -8.7547 -8.7540 -8.5417 -8.5392 -4.5609 -4.5403 -4.4469 -4.4310 -3.7843 -3.7812 -3.6731 -3.6670 -3.5445 -3.5278 -3.4729 -3.4528 -0.6832 -0.6417 -0.5944 -0.5156 -0.4682 -0.4313 -0.4222 -0.3163 -0.2867 -0.1512 0.0321 0.1507 0.1742 0.3228 0.3983 0.4748 0.5379 0.5916 0.6323 0.7380 0.8017 0.8209 0.8363 0.9430 4.9399 4.9512 5.0758 5.0866 6.1257 6.1294 6.2463 6.2546 6.3639 6.3752 k = 0.1471 0.2547-0.0000 ( 9949 PWs) bands (ev): -15.1516 -15.1514 -15.0361 -15.0359 -12.9288 -12.9286 -12.9077 -12.9076 -12.8516 -12.8515 -12.8414 -12.8413 -8.7683 -8.7676 -8.5463 -8.5438 -4.5658 -4.5460 -4.4498 -4.4347 -3.7812 -3.7785 -3.6773 -3.6717 -3.5516 -3.5353 -3.4819 -3.4623 -0.6666 -0.6255 -0.5814 -0.5038 -0.4558 -0.4140 -0.4093 -0.3070 -0.2775 -0.1380 0.0485 0.1649 0.1825 0.3286 0.3844 0.4745 0.5300 0.5824 0.6336 0.7250 0.7878 0.8171 0.8387 0.9366 4.9515 4.9625 5.1082 5.1197 6.1269 6.1315 6.2371 6.2480 6.3422 6.3549 k = 0.1373 0.2377-0.0000 ( 9961 PWs) bands (ev): -15.1571 -15.1570 -15.0368 -15.0367 -12.9202 -12.9200 -12.9030 -12.9029 -12.8494 -12.8494 -12.8392 -12.8391 -8.7816 -8.7810 -8.5511 -8.5487 -4.5703 -4.5515 -4.4527 -4.4384 -3.7783 -3.7759 -3.6813 -3.6760 -3.5591 -3.5433 -3.4906 -3.4718 -0.6498 -0.6101 -0.5668 -0.4922 -0.4462 -0.4035 -0.3894 -0.2986 -0.2685 -0.1262 0.0602 0.1739 0.1939 0.3347 0.3744 0.4737 0.5268 0.5691 0.6383 0.7142 0.7757 0.8147 0.8429 0.9307 4.9600 4.9705 5.1399 5.1521 6.1276 6.1336 6.2274 6.2411 6.3217 6.3359 k = 0.1275 0.2208-0.0000 ( 9975 PWs) bands (ev): -15.1625 -15.1623 -15.0377 -15.0376 -12.9118 -12.9116 -12.8981 -12.8979 -12.8474 -12.8473 -12.8373 -12.8372 -8.7946 -8.7939 -8.5560 -8.5538 -4.5745 -4.5566 -4.4555 -4.4420 -3.7756 -3.7736 -3.6849 -3.6800 -3.5668 -3.5517 -3.4989 -3.4811 -0.6329 -0.5953 -0.5504 -0.4809 -0.4383 -0.3948 -0.3688 -0.2916 -0.2598 -0.1170 0.0643 0.1830 0.2033 0.3332 0.3776 0.4741 0.5248 0.5567 0.6440 0.7062 0.7663 0.8143 0.8477 0.9254 4.9652 4.9750 5.1704 5.1829 6.1279 6.1356 6.2174 6.2337 6.3032 6.3187 k = 0.1176 0.2038-0.0000 ( 9973 PWs) bands (ev): -15.1676 -15.1675 -15.0386 -15.0385 -12.9036 -12.9034 -12.8930 -12.8929 -12.8454 -12.8454 -12.8355 -12.8354 -8.8070 -8.8064 -8.5611 -8.5589 -4.5783 -4.5615 -4.4582 -4.4456 -3.7733 -3.7716 -3.6881 -3.6836 -3.5747 -3.5604 -3.5065 -3.4899 -0.6163 -0.5806 -0.5322 -0.4701 -0.4312 -0.3865 -0.3497 -0.2856 -0.2519 -0.1113 0.0599 0.1936 0.2080 0.3250 0.3942 0.4772 0.5157 0.5539 0.6486 0.7021 0.7599 0.8162 0.8529 0.9205 4.9671 4.9762 5.1991 5.2118 6.1280 6.1377 6.2074 6.2259 6.2872 6.3039 k = 0.1078 0.1868-0.0000 ( 9957 PWs) bands (ev): -15.1724 -15.1723 -15.0396 -15.0395 -12.8957 -12.8956 -12.8878 -12.8877 -12.8436 -12.8435 -12.8340 -12.8340 -8.8189 -8.8183 -8.5661 -8.5640 -4.5818 -4.5661 -4.4607 -4.4491 -3.7715 -3.7701 -3.6910 -3.6867 -3.5825 -3.5693 -3.5135 -3.4983 -0.6003 -0.5655 -0.5129 -0.4601 -0.4239 -0.3783 -0.3329 -0.2802 -0.2454 -0.1095 0.0486 0.1987 0.2103 0.3208 0.4150 0.4831 0.4988 0.5623 0.6506 0.7030 0.7565 0.8203 0.8582 0.9162 4.9658 4.9741 5.2253 5.2379 6.1282 6.1397 6.1979 6.2177 6.2739 6.2914 k = 0.0980 0.1698-0.0000 ( 9965 PWs) bands (ev): -15.1770 -15.1769 -15.0406 -15.0404 -12.8882 -12.8881 -12.8827 -12.8825 -12.8419 -12.8418 -12.8328 -12.8327 -8.8300 -8.8295 -8.5710 -8.5691 -4.5849 -4.5704 -4.4631 -4.4524 -3.7703 -3.7691 -3.6932 -3.6894 -3.5901 -3.5780 -3.5197 -3.5060 -0.5852 -0.5495 -0.4927 -0.4515 -0.4155 -0.3703 -0.3193 -0.2745 -0.2405 -0.1119 0.0326 0.1881 0.2176 0.3252 0.4345 0.4789 0.4918 0.5775 0.6505 0.7088 0.7560 0.8263 0.8636 0.9122 4.9615 4.9690 5.2485 5.2608 6.1289 6.1420 6.1891 6.2097 6.2637 6.2812 k = 0.0882 0.1528-0.0000 ( 9965 PWs) bands (ev): -15.1812 -15.1811 -15.0416 -15.0414 -12.8812 -12.8811 -12.8775 -12.8774 -12.8403 -12.8403 -12.8318 -12.8317 -8.8405 -8.8400 -8.5757 -8.5740 -4.5876 -4.5744 -4.4652 -4.4555 -3.7697 -3.7686 -3.6950 -3.6916 -3.5973 -3.5864 -3.5251 -3.5130 -0.5710 -0.5326 -0.4724 -0.4444 -0.4055 -0.3625 -0.3090 -0.2680 -0.2375 -0.1182 0.0141 0.1683 0.2244 0.3367 0.4433 0.4675 0.5001 0.5967 0.6512 0.7180 0.7577 0.8338 0.8690 0.9086 4.9547 4.9613 5.2683 5.2801 6.1304 6.1446 6.1816 6.2021 6.2562 6.2732 k = 0.0784 0.1358-0.0000 ( 9963 PWs) bands (ev): -15.1850 -15.1849 -15.0425 -15.0424 -12.8748 -12.8747 -12.8724 -12.8723 -12.8389 -12.8389 -12.8310 -12.8310 -8.8500 -8.8496 -8.5801 -8.5786 -4.5900 -4.5781 -4.4672 -4.4584 -3.7696 -3.7687 -3.6962 -3.6934 -3.6041 -3.5943 -3.5298 -3.5192 -0.5576 -0.5152 -0.4536 -0.4372 -0.3937 -0.3551 -0.3016 -0.2610 -0.2364 -0.1278 -0.0055 0.1439 0.2299 0.3515 0.4287 0.4754 0.5099 0.6138 0.6584 0.7290 0.7613 0.8423 0.8744 0.9053 4.9460 4.9516 5.2845 5.2956 6.1328 6.1477 6.1754 6.1954 6.2515 6.2672 k = 0.0686 0.1189-0.0000 ( 9947 PWs) bands (ev): -15.1885 -15.1884 -15.0434 -15.0433 -12.8692 -12.8691 -12.8673 -12.8672 -12.8376 -12.8376 -12.8306 -12.8306 -8.8587 -8.8583 -8.5842 -8.5828 -4.5920 -4.5814 -4.4689 -4.4611 -3.7700 -3.7694 -3.6969 -3.6947 -3.6103 -3.6016 -3.5337 -3.5247 -0.5449 -0.4979 -0.4419 -0.4235 -0.3811 -0.3482 -0.2961 -0.2545 -0.2370 -0.1403 -0.0247 0.1172 0.2344 0.3663 0.4092 0.4830 0.5229 0.6218 0.6773 0.7409 0.7662 0.8508 0.8797 0.9025 4.9359 4.9407 5.2971 5.3072 6.1364 6.1510 6.1710 6.1898 6.2493 6.2631 k = 0.0588 0.1019-0.0000 ( 9951 PWs) bands (ev): -15.1915 -15.1915 -15.0442 -15.0441 -12.8643 -12.8642 -12.8624 -12.8623 -12.8364 -12.8364 -12.8304 -12.8304 -8.8663 -8.8659 -8.5879 -8.5867 -4.5936 -4.5845 -4.4703 -4.4636 -3.7708 -3.7703 -3.6973 -3.6957 -3.6157 -3.6081 -3.5370 -3.5294 -0.5327 -0.4822 -0.4357 -0.4037 -0.3684 -0.3419 -0.2916 -0.2494 -0.2391 -0.1550 -0.0422 0.0898 0.2386 0.3741 0.3959 0.4856 0.5387 0.6238 0.7032 0.7529 0.7721 0.8583 0.8849 0.9005 4.9251 4.9292 5.3063 5.3152 6.1408 6.1541 6.1685 6.1853 6.2493 6.2608 k = 0.0490 0.0849-0.0000 ( 9963 PWs) bands (ev): -15.1941 -15.1941 -15.0449 -15.0448 -12.8600 -12.8599 -12.8580 -12.8580 -12.8354 -12.8354 -12.8305 -12.8305 -8.8729 -8.8726 -8.5912 -8.5901 -4.5948 -4.5872 -4.4714 -4.4658 -3.7718 -3.7715 -3.6975 -3.6965 -3.6202 -3.6138 -3.5396 -3.5334 -0.5211 -0.4704 -0.4280 -0.3827 -0.3569 -0.3357 -0.2877 -0.2467 -0.2420 -0.1713 -0.0566 0.0625 0.2428 0.3612 0.4028 0.4848 0.5550 0.6237 0.7303 0.7642 0.7785 0.8633 0.8901 0.8997 4.9145 4.9178 5.3126 5.3202 6.1456 6.1560 6.1684 6.1819 6.2512 6.2602 k = 0.0392 0.0679-0.0000 ( 9969 PWs) bands (ev): -15.1963 -15.1963 -15.0455 -15.0454 -12.8562 -12.8561 -12.8543 -12.8543 -12.8346 -12.8346 -12.8309 -12.8309 -8.8783 -8.8781 -8.5939 -8.5930 -4.5957 -4.5895 -4.4722 -4.4677 -3.7729 -3.7727 -3.6975 -3.6970 -3.6238 -3.6185 -3.5416 -3.5367 -0.5102 -0.4644 -0.4161 -0.3618 -0.3484 -0.3289 -0.2842 -0.2473 -0.2450 -0.1887 -0.0664 0.0361 0.2476 0.3430 0.4149 0.4817 0.5702 0.6228 0.7555 0.7743 0.7855 0.8646 0.8953 0.9004 4.9048 4.9073 5.3165 5.3227 6.1502 6.1568 6.1701 6.1796 6.2545 6.2611 k = 0.0294 0.0509-0.0000 ( 9973 PWs) bands (ev): -15.1980 -15.1980 -15.0460 -15.0459 -12.8530 -12.8529 -12.8513 -12.8513 -12.8339 -12.8339 -12.8314 -12.8314 -8.8826 -8.8824 -8.5960 -8.5953 -4.5962 -4.5915 -4.4727 -4.4693 -3.7739 -3.7739 -3.6976 -3.6973 -3.6264 -3.6223 -3.5430 -3.5394 -0.5000 -0.4634 -0.4010 -0.3444 -0.3413 -0.3212 -0.2812 -0.2500 -0.2482 -0.2069 -0.0707 0.0111 0.2534 0.3251 0.4267 0.4770 0.5835 0.6212 0.7762 0.7827 0.7941 0.8621 0.9000 0.9023 4.8965 4.8983 5.3188 5.3236 6.1539 6.1571 6.1724 6.1781 6.2583 6.2629 k = 0.0196 0.0340-0.0000 ( 9981 PWs) bands (ev): -15.1992 -15.1992 -15.0463 -15.0463 -12.8505 -12.8505 -12.8491 -12.8491 -12.8335 -12.8335 -12.8320 -12.8320 -8.8857 -8.8856 -8.5975 -8.5971 -4.5963 -4.5932 -4.4730 -4.4707 -3.7748 -3.7747 -3.6976 -3.6976 -3.6281 -3.6253 -3.5438 -3.5414 -0.4907 -0.4655 -0.3850 -0.3444 -0.3230 -0.3139 -0.2783 -0.2528 -0.2519 -0.2255 -0.0690 -0.0118 0.2607 0.3086 0.4375 0.4712 0.5946 0.6188 0.7880 0.7890 0.8074 0.8563 0.9038 0.9045 4.8902 4.8914 5.3202 5.3234 6.1563 6.1573 6.1744 6.1774 6.2616 6.2651 k = 0.0098 0.0170-0.0000 ( 9977 PWs) bands (ev): -15.2000 -15.1999 -15.0465 -15.0465 -12.8490 -12.8490 -12.8476 -12.8476 -12.8334 -12.8334 -12.8323 -12.8323 -8.8875 -8.8875 -8.5983 -8.5981 -4.5961 -4.5945 -4.4729 -4.4717 -3.7753 -3.7753 -3.6977 -3.6977 -3.6287 -3.6273 -3.5441 -3.5429 -0.4825 -0.4696 -0.3699 -0.3487 -0.3099 -0.3083 -0.2729 -0.2548 -0.2547 -0.2439 -0.0615 -0.0321 0.2698 0.2937 0.4474 0.4642 0.6035 0.6153 0.7928 0.7929 0.8229 0.8478 0.9060 0.9061 4.8864 4.8870 5.3211 5.3227 6.1575 6.1576 6.1758 6.1771 6.2639 6.2668 k = 0.0000 0.0000 0.0000 ( 9961 PWs) bands (ev): -15.2002 -15.2002 -15.0466 -15.0466 -12.8485 -12.8485 -12.8471 -12.8471 -12.8335 -12.8335 -12.8323 -12.8323 -8.8881 -8.8881 -8.5986 -8.5986 -4.5955 -4.5955 -4.4724 -4.4724 -3.7755 -3.7755 -3.6977 -3.6977 -3.6285 -3.6285 -3.5437 -3.5437 -0.4754 -0.4754 -0.3574 -0.3574 -0.3058 -0.3058 -0.2608 -0.2608 -0.2556 -0.2556 -0.0489 -0.0489 0.2808 0.2808 0.4563 0.4563 0.6103 0.6103 0.7942 0.7942 0.8366 0.8366 0.9068 0.9068 4.8853 4.8853 5.3219 5.3219 6.1578 6.1578 6.1767 6.1767 6.2659 6.2659 k = 0.0000 0.0000 0.0000 ( 9961 PWs) bands (ev): -15.2002 -15.2002 -15.0466 -15.0466 -12.8485 -12.8485 -12.8471 -12.8471 -12.8335 -12.8335 -12.8323 -12.8323 -8.8881 -8.8881 -8.5986 -8.5986 -4.5955 -4.5955 -4.4724 -4.4724 -3.7755 -3.7755 -3.6977 -3.6977 -3.6285 -3.6285 -3.5437 -3.5437 -0.4754 -0.4754 -0.3574 -0.3574 -0.3058 -0.3058 -0.2608 -0.2608 -0.2556 -0.2556 -0.0489 -0.0489 0.2808 0.2808 0.4563 0.4563 0.6103 0.6103 0.7942 0.7942 0.8366 0.8366 0.9068 0.9068 4.8853 4.8853 5.3219 5.3219 6.1578 6.1578 6.1767 6.1767 6.2659 6.2659 k = 0.0000 0.0000 0.0201 ( 9967 PWs) bands (ev): -15.2000 -15.2000 -15.0468 -15.0468 -12.8490 -12.8479 -12.8476 -12.8465 -12.8340 -12.8329 -12.8329 -12.8318 -8.8878 -8.8877 -8.5990 -8.5989 -4.5958 -4.5947 -4.4730 -4.4721 -3.7851 -3.7658 -3.7078 -3.6879 -3.6386 -3.6182 -3.5544 -3.5334 -0.4786 -0.4718 -0.3740 -0.3407 -0.3228 -0.2884 -0.2735 -0.2730 -0.2474 -0.2375 -0.0488 -0.0483 0.2779 0.2834 0.4555 0.4559 0.6050 0.6162 0.7879 0.8011 0.8308 0.8406 0.9002 0.9134 4.8855 4.8859 5.3211 5.3214 6.1526 6.1627 6.1722 6.1808 6.2585 6.2622 k = 0.0000 0.0000 0.0401 ( 9973 PWs) bands (ev): -15.1995 -15.1994 -15.0474 -15.0474 -12.8495 -12.8481 -12.8473 -12.8459 -12.8346 -12.8335 -12.8325 -12.8313 -8.8868 -8.8865 -8.6003 -8.5999 -4.5957 -4.5935 -4.4737 -4.4719 -3.7945 -3.7560 -3.7181 -3.6784 -3.6485 -3.6079 -3.5653 -3.5233 -0.4817 -0.4677 -0.3904 -0.3394 -0.3238 -0.2912 -0.2838 -0.2707 -0.2332 -0.2193 -0.0481 -0.0471 0.2748 0.2859 0.4534 0.4544 0.6003 0.6226 0.7822 0.8085 0.8232 0.8429 0.8936 0.9200 4.8864 4.8873 5.3190 5.3196 6.1471 6.1673 6.1673 6.1847 6.2503 6.2533 k = 0.0000 0.0000 0.0602 ( 9961 PWs) bands (ev): -15.1985 -15.1985 -15.0484 -15.0484 -12.8499 -12.8485 -12.8467 -12.8453 -12.8353 -12.8341 -12.8320 -12.8309 -8.8851 -8.8847 -8.6023 -8.6017 -4.5952 -4.5919 -4.4745 -4.4719 -3.8037 -3.7462 -3.7285 -3.6694 -3.6581 -3.5976 -3.5764 -3.5137 -0.4849 -0.4628 -0.4064 -0.3554 -0.3085 -0.3068 -0.2927 -0.2529 -0.2184 -0.2013 -0.0466 -0.0455 0.2715 0.2881 0.4497 0.4520 0.5963 0.6296 0.7772 0.8138 0.8163 0.8437 0.8872 0.9266 4.8881 4.8894 5.3156 5.3165 6.1413 6.1622 6.1715 6.1882 6.2414 6.2437 k = 0.0000 0.0000 0.0802 ( 9991 PWs) bands (ev): -15.1972 -15.1972 -15.0498 -15.0498 -12.8503 -12.8489 -12.8460 -12.8446 -12.8359 -12.8348 -12.8316 -12.8305 -8.8827 -8.8822 -8.6050 -8.6043 -4.5943 -4.5899 -4.4756 -4.4721 -3.8126 -3.7391 -3.7365 -3.6675 -3.6607 -3.5876 -3.5872 -3.5045 -0.4884 -0.4571 -0.4219 -0.3708 -0.3255 -0.2994 -0.2899 -0.2349 -0.2033 -0.1834 -0.0443 -0.0435 0.2680 0.2901 0.4442 0.4487 0.5930 0.6370 0.7727 0.8027 0.8247 0.8431 0.8809 0.9331 4.8906 4.8922 5.3109 5.3121 6.1351 6.1567 6.1755 6.1915 6.2319 6.2333 k = 0.0000 0.0000 0.1003 ( 9967 PWs) bands (ev): -15.1955 -15.1955 -15.0516 -15.0516 -12.8506 -12.8492 -12.8453 -12.8440 -12.8366 -12.8355 -12.8313 -12.8301 -8.8796 -8.8789 -8.6085 -8.6076 -4.5929 -4.5875 -4.4768 -4.4725 -3.8212 -3.7497 -3.7268 -3.6765 -3.6526 -3.5988 -3.5769 -3.4959 -0.4926 -0.4503 -0.4371 -0.3856 -0.3419 -0.3035 -0.2732 -0.2170 -0.1881 -0.1658 -0.0414 -0.0412 0.2642 0.2919 0.4367 0.4447 0.5902 0.6449 0.7690 0.7901 0.8333 0.8415 0.8747 0.9394 4.8939 4.8959 5.3050 5.3065 6.1288 6.1510 6.1792 6.1945 6.2218 6.2223 k = 0.0000 0.0000 0.1204 ( 9967 PWs) bands (ev): -15.1935 -15.1935 -15.0538 -15.0538 -12.8509 -12.8495 -12.8446 -12.8432 -12.8373 -12.8361 -12.8309 -12.8298 -8.8758 -8.8750 -8.6127 -8.6116 -4.5911 -4.5848 -4.4783 -4.4730 -3.8294 -3.7603 -3.7172 -3.6851 -3.6449 -3.6100 -3.5668 -3.4877 -0.4975 -0.4516 -0.4426 -0.3996 -0.3577 -0.3050 -0.2566 -0.1992 -0.1731 -0.1487 -0.0392 -0.0374 0.2601 0.2934 0.4272 0.4399 0.5882 0.6532 0.7660 0.7763 0.8391 0.8424 0.8687 0.9455 4.8979 4.9003 5.2979 5.2997 6.1222 6.1450 6.1827 6.1974 6.2107 6.2112 k = 0.0000 0.0000 0.1404 ( 9937 PWs) bands (ev): -15.1911 -15.1911 -15.0563 -15.0563 -12.8511 -12.8498 -12.8439 -12.8425 -12.8380 -12.8369 -12.8307 -12.8295 -8.8714 -8.8705 -8.6175 -8.6163 -4.5890 -4.5817 -4.4799 -4.4738 -3.8373 -3.7708 -3.7078 -3.6932 -3.6378 -3.6211 -3.5567 -3.4802 -0.5031 -0.4656 -0.4336 -0.4128 -0.3729 -0.3036 -0.2402 -0.1816 -0.1583 -0.1320 -0.0372 -0.0328 0.2558 0.2947 0.4154 0.4344 0.5867 0.6618 0.7615 0.7636 0.8361 0.8517 0.8628 0.9514 4.9028 4.9056 5.2897 5.2917 6.1155 6.1389 6.1861 6.1987 6.2000 6.2004 k = 0.0000 0.0000 0.1605 ( 9949 PWs) bands (ev): -15.1884 -15.1884 -15.0592 -15.0592 -12.8513 -12.8499 -12.8431 -12.8418 -12.8387 -12.8376 -12.8305 -12.8293 -8.8663 -8.8653 -8.6230 -8.6217 -4.5864 -4.5782 -4.4817 -4.4748 -3.8446 -3.7812 -3.7009 -3.6986 -3.6320 -3.6313 -3.5469 -3.4733 -0.5094 -0.4789 -0.4252 -0.4235 -0.3874 -0.2993 -0.2242 -0.1644 -0.1440 -0.1161 -0.0356 -0.0276 0.2511 0.2958 0.4013 0.4281 0.5859 0.6706 0.7462 0.7619 0.8328 0.8572 0.8611 0.9569 4.9086 4.9117 5.2802 5.2826 6.1086 6.1326 6.1865 6.1892 6.1893 6.2026 k = 0.0000 0.0000 0.1805 ( 9991 PWs) bands (ev): -15.1854 -15.1853 -15.0625 -15.0624 -12.8514 -12.8501 -12.8424 -12.8410 -12.8395 -12.8383 -12.8303 -12.8292 -8.8606 -8.8595 -8.6292 -8.6277 -4.5836 -4.5745 -4.4837 -4.4761 -3.8515 -3.7913 -3.7081 -3.6896 -3.6427 -3.6254 -3.5373 -3.4670 -0.5162 -0.4915 -0.4368 -0.4122 -0.4012 -0.2924 -0.2087 -0.1476 -0.1303 -0.1009 -0.0345 -0.0217 0.2461 0.2966 0.3849 0.4210 0.5856 0.6796 0.7307 0.7608 0.8294 0.8517 0.8707 0.9621 4.9151 4.9185 5.2698 5.2723 6.1018 6.1262 6.1740 6.1780 6.1923 6.2050 k = 0.0000 0.0000 0.2006 ( 9984 PWs) bands (ev): -15.1821 -15.1820 -15.0660 -15.0659 -12.8515 -12.8502 -12.8416 -12.8402 -12.8402 -12.8391 -12.8302 -12.8291 -8.8544 -8.8531 -8.6359 -8.6343 -4.5804 -4.5705 -4.4859 -4.4775 -3.8578 -3.8012 -3.7146 -3.6809 -3.6532 -3.6201 -3.5280 -3.4614 -0.5233 -0.5033 -0.4475 -0.4142 -0.3997 -0.2829 -0.1937 -0.1313 -0.1174 -0.0866 -0.0341 -0.0153 0.2408 0.2972 0.3663 0.4132 0.5859 0.6887 0.7153 0.7604 0.8260 0.8463 0.8804 0.9668 4.9226 4.9263 5.2583 5.2611 6.0951 6.1198 6.1616 6.1668 6.1954 6.2074 k = 0.0000 0.0000 0.2207 ( 9978 PWs) bands (ev): -15.1784 -15.1783 -15.0699 -15.0697 -12.8515 -12.8502 -12.8409 -12.8408 -12.8398 -12.8395 -12.8302 -12.8290 -8.8476 -8.8462 -8.6432 -8.6415 -4.5769 -4.5663 -4.4884 -4.4792 -3.8636 -3.8107 -3.7206 -3.6725 -3.6632 -3.6155 -3.5190 -3.4565 -0.5305 -0.5143 -0.4572 -0.4263 -0.3859 -0.2709 -0.1794 -0.1157 -0.1053 -0.0734 -0.0347 -0.0086 0.2351 0.2976 0.3457 0.4045 0.5866 0.6978 0.7006 0.7607 0.8227 0.8412 0.8900 0.9711 4.9309 4.9349 5.2459 5.2490 6.0885 6.1136 6.1493 6.1559 6.1985 6.2098 k = 0.0000 0.0000 0.2407 ( 9984 PWs) bands (ev): -15.1745 -15.1744 -15.0740 -15.0739 -12.8515 -12.8502 -12.8417 -12.8405 -12.8400 -12.8387 -12.8302 -12.8290 -8.8402 -8.8388 -8.6510 -8.6492 -4.5732 -4.5619 -4.4910 -4.4812 -3.8687 -3.8199 -3.7258 -3.6729 -3.6644 -3.6115 -3.5103 -3.4523 -0.5376 -0.5245 -0.4660 -0.4376 -0.3709 -0.2568 -0.1659 -0.1009 -0.0941 -0.0611 -0.0363 -0.0016 0.2291 0.2979 0.3233 0.3952 0.5878 0.6867 0.7070 0.7615 0.8195 0.8362 0.8995 0.9748 4.9401 4.9443 5.2326 5.2359 6.0822 6.1075 6.1373 6.1452 6.2016 6.2122 k = 0.0000 0.0000 0.2608 ( 9966 PWs) bands (ev): -15.1704 -15.1702 -15.0783 -15.0782 -12.8514 -12.8501 -12.8424 -12.8413 -12.8393 -12.8379 -12.8302 -12.8291 -8.8324 -8.8308 -8.6592 -8.6573 -4.5692 -4.5573 -4.4939 -4.4834 -3.8732 -3.8287 -3.7304 -3.6822 -3.6568 -3.6082 -3.5020 -3.4488 -0.5444 -0.5338 -0.4738 -0.4481 -0.3548 -0.2406 -0.1535 -0.0869 -0.0841 -0.0501 -0.0389 0.0053 0.2227 0.2980 0.2997 0.3852 0.5893 0.6741 0.7160 0.7628 0.8164 0.8313 0.9088 0.9779 4.9502 4.9546 5.2186 5.2221 6.0764 6.1017 6.1257 6.1349 6.2048 6.2147 k = 0.0000 0.0000 0.2808 ( 9996 PWs) bands (ev): -15.1660 -15.1658 -15.0829 -15.0828 -12.8512 -12.8499 -12.8432 -12.8420 -12.8385 -12.8372 -12.8304 -12.8292 -8.8241 -8.8225 -8.6679 -8.6659 -4.5650 -4.5526 -4.4970 -4.4859 -3.8770 -3.8369 -3.7343 -3.6909 -3.6495 -3.6056 -3.4942 -3.4461 -0.5508 -0.5422 -0.4807 -0.4576 -0.3377 -0.2225 -0.1425 -0.0752 -0.0739 -0.0427 -0.0403 0.0119 0.2160 0.2751 0.2980 0.3749 0.5912 0.6627 0.7248 0.7647 0.8134 0.8266 0.9179 0.9803 4.9611 4.9657 5.2039 5.2076 6.0710 6.0963 6.1146 6.1252 6.2081 6.2173 k = 0.0000 0.0000 0.3009 ( 9996 PWs) bands (ev): -15.1613 -15.1612 -15.0877 -15.0876 -12.8510 -12.8498 -12.8439 -12.8427 -12.8378 -12.8364 -12.8305 -12.8293 -8.8154 -8.8137 -8.6770 -8.6750 -4.5607 -4.5478 -4.5003 -4.4886 -3.8801 -3.8446 -3.7375 -3.6990 -3.6426 -3.6037 -3.4868 -3.4441 -0.5566 -0.5497 -0.4866 -0.4663 -0.3196 -0.2028 -0.1335 -0.0675 -0.0619 -0.0472 -0.0319 0.0176 0.2091 0.2504 0.2981 0.3644 0.5933 0.6527 0.7334 0.7670 0.8104 0.8219 0.9267 0.9821 4.9729 4.9776 5.1886 5.1925 6.0662 6.0914 6.1042 6.1162 6.2116 6.2201 k = 0.0000 0.0000 0.3210 ( 9972 PWs) bands (ev): -15.1565 -15.1564 -15.0927 -15.0926 -12.8508 -12.8495 -12.8446 -12.8434 -12.8370 -12.8357 -12.8308 -12.8296 -8.8064 -8.8046 -8.6864 -8.6843 -4.5562 -4.5429 -4.5038 -4.4916 -3.8825 -3.8518 -3.7398 -3.7066 -3.6362 -3.6024 -3.4799 -3.4428 -0.5617 -0.5563 -0.4915 -0.4740 -0.3006 -0.1815 -0.1273 -0.0610 -0.0517 -0.0510 -0.0248 0.0219 0.2019 0.2265 0.2982 0.3541 0.5956 0.6441 0.7417 0.7697 0.8073 0.8174 0.9350 0.9831 4.9855 4.9903 5.1728 5.1769 6.0622 6.0871 6.0946 6.1079 6.2153 6.2231 k = 0.0000 0.0000 0.3410 ( 9966 PWs) bands (ev): -15.1515 -15.1514 -15.0979 -15.0977 -12.8505 -12.8492 -12.8453 -12.8441 -12.8363 -12.8350 -12.8310 -12.8298 -8.7970 -8.7951 -8.6961 -8.6939 -4.5516 -4.5380 -4.5075 -4.4948 -3.8841 -3.8583 -3.7414 -3.7135 -3.6303 -3.6018 -3.4734 -3.4422 -0.5662 -0.5619 -0.4954 -0.4807 -0.2810 -0.1589 -0.1251 -0.0559 -0.0553 -0.0413 -0.0191 0.0238 0.1945 0.2044 0.2987 0.3442 0.5981 0.6368 0.7496 0.7728 0.8040 0.8129 0.9428 0.9834 4.9988 5.0037 5.1567 5.1610 6.0590 6.0835 6.0859 6.1005 6.2192 6.2263 k = 0.0000 0.0000 0.3611 ( 9972 PWs) bands (ev): -15.1464 -15.1462 -15.1031 -15.1030 -12.8502 -12.8489 -12.8460 -12.8448 -12.8356 -12.8343 -12.8314 -12.8301 -8.7874 -8.7854 -8.7060 -8.7038 -4.5470 -4.5332 -4.5114 -4.4983 -3.8849 -3.8642 -3.7422 -3.7198 -3.6249 -3.6019 -3.4676 -3.4423 -0.5698 -0.5666 -0.4984 -0.4865 -0.2608 -0.1352 -0.1280 -0.0568 -0.0521 -0.0328 -0.0148 0.0218 0.1859 0.1872 0.2994 0.3351 0.6008 0.6305 0.7572 0.7761 0.8005 0.8085 0.9501 0.9829 5.0128 5.0178 5.1403 5.1447 6.0567 6.0781 6.0806 6.0941 6.2234 6.2296 k = 0.0000 0.0000 0.3811 ( 9960 PWs) bands (ev): -15.1411 -15.1410 -15.1085 -15.1083 -12.8498 -12.8485 -12.8466 -12.8454 -12.8350 -12.8337 -12.8318 -12.8305 -8.7775 -8.7754 -8.7161 -8.7139 -4.5424 -4.5283 -4.5154 -4.5021 -3.8850 -3.8694 -3.7422 -3.7253 -3.6199 -3.6026 -3.4622 -3.4432 -0.5726 -0.5703 -0.5003 -0.4914 -0.2405 -0.1361 -0.1108 -0.0561 -0.0496 -0.0257 -0.0120 0.0147 0.1723 0.1800 0.3007 0.3270 0.6035 0.6251 0.7643 0.7797 0.7967 0.8042 0.9568 0.9815 5.0274 5.0324 5.1238 5.1283 6.0554 6.0714 6.0787 6.0887 6.2278 6.2333 k = 0.0000 0.0000 0.4012 ( 9984 PWs) bands (ev): -15.1357 -15.1356 -15.1139 -15.1138 -12.8493 -12.8481 -12.8472 -12.8460 -12.8343 -12.8330 -12.8322 -12.8309 -8.7674 -8.7653 -8.7263 -8.7241 -4.5377 -4.5236 -4.5197 -4.5060 -3.8843 -3.8739 -3.7414 -3.7301 -3.6156 -3.6040 -3.4575 -3.4447 -0.5746 -0.5731 -0.5013 -0.4953 -0.2203 -0.1485 -0.0860 -0.0541 -0.0485 -0.0198 -0.0106 0.0018 0.1645 0.1734 0.3027 0.3199 0.6065 0.6205 0.7709 0.7835 0.7924 0.7999 0.9628 0.9794 5.0426 5.0476 5.1072 5.1119 6.0552 6.0658 6.0777 6.0843 6.2324 6.2371 k = 0.0000 0.0000 0.4213 ( 9984 PWs) bands (ev): -15.1303 -15.1302 -15.1194 -15.1192 -12.8489 -12.8478 -12.8476 -12.8466 -12.8337 -12.8327 -12.8325 -12.8314 -8.7572 -8.7551 -8.7366 -8.7344 -4.5331 -4.5240 -4.5190 -4.5102 -3.8829 -3.8776 -3.7398 -3.7341 -3.6118 -3.6060 -3.4533 -3.4469 -0.5756 -0.5748 -0.5012 -0.4983 -0.2004 -0.1639 -0.0613 -0.0517 -0.0486 -0.0161 -0.0154 -0.0108 0.1620 0.1676 0.3055 0.3140 0.6095 0.6165 0.7770 0.7874 0.7878 0.7956 0.9681 0.9764 5.0583 5.0632 5.0906 5.0955 6.0561 6.0614 6.0778 6.0810 6.2372 6.2411 k = 0.0000 0.0000 0.4413 ( 9978 PWs) bands (ev): -15.1249 -15.1249 -15.1247 -15.1247 -12.8483 -12.8483 -12.8471 -12.8471 -12.8332 -12.8332 -12.8319 -12.8319 -8.7469 -8.7469 -8.7448 -8.7448 -4.5285 -4.5285 -4.5145 -4.5145 -3.8806 -3.8806 -3.7373 -3.7373 -3.6086 -3.6086 -3.4498 -3.4498 -0.5757 -0.5757 -0.5002 -0.5002 -0.1815 -0.1815 -0.0497 -0.0497 -0.0377 -0.0377 -0.0124 -0.0124 0.1635 0.1635 0.3092 0.3092 0.6128 0.6128 0.7826 0.7826 0.7915 0.7915 0.9726 0.9726 5.0743 5.0743 5.0792 5.0792 6.0582 6.0582 6.0789 6.0789 6.2422 6.2422 k = 0.0000 0.0000 0.4413 ( 9978 PWs) bands (ev): -15.1249 -15.1249 -15.1247 -15.1247 -12.8483 -12.8483 -12.8471 -12.8471 -12.8332 -12.8332 -12.8319 -12.8319 -8.7469 -8.7469 -8.7448 -8.7448 -4.5285 -4.5285 -4.5145 -4.5145 -3.8806 -3.8806 -3.7373 -3.7373 -3.6086 -3.6086 -3.4498 -3.4498 -0.5757 -0.5757 -0.5002 -0.5002 -0.1815 -0.1815 -0.0497 -0.0497 -0.0377 -0.0377 -0.0124 -0.0124 0.1635 0.1635 0.3092 0.3092 0.6128 0.6128 0.7826 0.7826 0.7915 0.7915 0.9726 0.9726 5.0743 5.0743 5.0792 5.0792 6.0582 6.0582 6.0789 6.0789 6.2422 6.2422 k = 0.0172 0.0100 0.4413 ( 9986 PWs) bands (ev): -15.1247 -15.1247 -15.1245 -15.1245 -12.8486 -12.8486 -12.8474 -12.8474 -12.8334 -12.8334 -12.8322 -12.8322 -8.7464 -8.7464 -8.7443 -8.7443 -4.5284 -4.5284 -4.5144 -4.5144 -3.8801 -3.8801 -3.7368 -3.7368 -3.6085 -3.6085 -3.4497 -3.4497 -0.5765 -0.5765 -0.5007 -0.5007 -0.1825 -0.1825 -0.0521 -0.0521 -0.0368 -0.0368 -0.0122 -0.0122 0.1649 0.1649 0.3117 0.3117 0.6119 0.6119 0.7815 0.7815 0.7902 0.7902 0.9710 0.9710 5.0752 5.0752 5.0800 5.0800 6.0586 6.0586 6.0795 6.0795 6.2416 6.2416 k = 0.0345 0.0199 0.4413 ( 9990 PWs) bands (ev): -15.1242 -15.1242 -15.1240 -15.1240 -12.8493 -12.8493 -12.8481 -12.8481 -12.8341 -12.8341 -12.8329 -12.8329 -8.7449 -8.7449 -8.7428 -8.7428 -4.5280 -4.5280 -4.5140 -4.5140 -3.8786 -3.8786 -3.7355 -3.7355 -3.6081 -3.6081 -3.4496 -3.4496 -0.5787 -0.5787 -0.5022 -0.5022 -0.1856 -0.1856 -0.0581 -0.0581 -0.0346 -0.0346 -0.0123 -0.0123 0.1689 0.1689 0.3190 0.3190 0.6091 0.6091 0.7769 0.7769 0.7873 0.7873 0.9663 0.9663 5.0776 5.0776 5.0823 5.0823 6.0597 6.0597 6.0816 6.0816 6.2412 6.2412 k = 0.0517 0.0299 0.4413 ( 9982 PWs) bands (ev): -15.1233 -15.1233 -15.1232 -15.1232 -12.8506 -12.8506 -12.8493 -12.8493 -12.8353 -12.8353 -12.8340 -12.8340 -8.7425 -8.7425 -8.7403 -8.7403 -4.5274 -4.5274 -4.5133 -4.5133 -3.8762 -3.8762 -3.7332 -3.7332 -3.6074 -3.6074 -3.4492 -3.4492 -0.5824 -0.5824 -0.5046 -0.5046 -0.1910 -0.1910 -0.0661 -0.0661 -0.0318 -0.0318 -0.0131 -0.0131 0.1759 0.1759 0.3304 0.3304 0.6045 0.6045 0.7674 0.7674 0.7848 0.7848 0.9585 0.9585 5.0814 5.0814 5.0859 5.0859 6.0618 6.0618 6.0850 6.0850 6.2419 6.2419 k = 0.0690 0.0398 0.4413 ( 9986 PWs) bands (ev): -15.1222 -15.1222 -15.1220 -15.1220 -12.8524 -12.8524 -12.8512 -12.8512 -12.8367 -12.8367 -12.8355 -12.8355 -8.7391 -8.7391 -8.7369 -8.7369 -4.5265 -4.5265 -4.5124 -4.5124 -3.8728 -3.8728 -3.7302 -3.7302 -3.6064 -3.6064 -3.4488 -3.4488 -0.5874 -0.5874 -0.5080 -0.5080 -0.1989 -0.1989 -0.0750 -0.0750 -0.0299 -0.0299 -0.0139 -0.0139 0.1857 0.1857 0.3451 0.3451 0.5982 0.5982 0.7537 0.7537 0.7824 0.7824 0.9482 0.9482 5.0861 5.0861 5.0903 5.0903 6.0646 6.0646 6.0896 6.0896 6.2440 6.2440 k = 0.0862 0.0498 0.4413 ( 9968 PWs) bands (ev): -15.1207 -15.1207 -15.1205 -15.1205 -12.8549 -12.8549 -12.8538 -12.8538 -12.8384 -12.8384 -12.8372 -12.8372 -8.7347 -8.7347 -8.7325 -8.7325 -4.5254 -4.5254 -4.5112 -4.5112 -3.8686 -3.8686 -3.7266 -3.7266 -3.6050 -3.6050 -3.4482 -3.4482 -0.5935 -0.5935 -0.5123 -0.5123 -0.2092 -0.2092 -0.0846 -0.0846 -0.0311 -0.0311 -0.0118 -0.0118 0.1978 0.1978 0.3619 0.3619 0.5905 0.5905 0.7367 0.7367 0.7798 0.7798 0.9357 0.9357 5.0911 5.0911 5.0953 5.0953 6.0683 6.0683 6.0953 6.0953 6.2478 6.2478 k = 0.1034 0.0597 0.4413 ( 9972 PWs) bands (ev): -15.1189 -15.1189 -15.1187 -15.1187 -12.8580 -12.8580 -12.8570 -12.8570 -12.8402 -12.8402 -12.8391 -12.8391 -8.7295 -8.7295 -8.7274 -8.7274 -4.5241 -4.5241 -4.5098 -4.5098 -3.8635 -3.8635 -3.7225 -3.7225 -3.6030 -3.6030 -3.4474 -3.4474 -0.6005 -0.6005 -0.5175 -0.5175 -0.2219 -0.2219 -0.0951 -0.0951 -0.0352 -0.0352 -0.0070 -0.0070 0.2118 0.2118 0.3801 0.3801 0.5818 0.5818 0.7174 0.7174 0.7768 0.7768 0.9215 0.9215 5.0956 5.0956 5.1003 5.1003 6.0726 6.0726 6.1015 6.1015 6.2540 6.2540 k = 0.1207 0.0697 0.4413 ( 9956 PWs) bands (ev): -15.1168 -15.1168 -15.1167 -15.1167 -12.8619 -12.8619 -12.8610 -12.8610 -12.8420 -12.8420 -12.8411 -12.8411 -8.7236 -8.7236 -8.7214 -8.7214 -4.5225 -4.5225 -4.5082 -4.5082 -3.8577 -3.8577 -3.7180 -3.7180 -3.6003 -3.6003 -3.4465 -3.4465 -0.6084 -0.6084 -0.5234 -0.5234 -0.2367 -0.2367 -0.1069 -0.1069 -0.0400 -0.0400 -0.0009 -0.0009 0.2268 0.2268 0.3984 0.3984 0.5728 0.5728 0.6969 0.6969 0.7736 0.7736 0.9063 0.9063 5.0992 5.0992 5.1048 5.1048 6.0772 6.0772 6.1078 6.1078 6.2631 6.2631 k = 0.1379 0.0796 0.4413 ( 9956 PWs) bands (ev): -15.1145 -15.1145 -15.1144 -15.1144 -12.8665 -12.8665 -12.8657 -12.8657 -12.8438 -12.8438 -12.8430 -12.8430 -8.7168 -8.7168 -8.7147 -8.7147 -4.5206 -4.5206 -4.5063 -4.5063 -3.8512 -3.8512 -3.7135 -3.7135 -3.5969 -3.5969 -3.4453 -3.4453 -0.6169 -0.6169 -0.5301 -0.5301 -0.2533 -0.2533 -0.1201 -0.1201 -0.0448 -0.0448 0.0054 0.0054 0.2422 0.2422 0.4156 0.4156 0.5644 0.5644 0.6761 0.6761 0.7701 0.7701 0.8907 0.8907 5.1013 5.1013 5.1082 5.1082 6.0818 6.0818 6.1135 6.1135 6.2757 6.2757 k = 0.1552 0.0896 0.4413 ( 9952 PWs) bands (ev): -15.1120 -15.1120 -15.1118 -15.1118 -12.8717 -12.8717 -12.8710 -12.8710 -12.8457 -12.8457 -12.8450 -12.8450 -8.7095 -8.7095 -8.7073 -8.7073 -4.5185 -4.5185 -4.5042 -4.5042 -3.8442 -3.8442 -3.7091 -3.7091 -3.5925 -3.5925 -3.4440 -3.4440 -0.6260 -0.6260 -0.5373 -0.5373 -0.2715 -0.2715 -0.1350 -0.1350 -0.0492 -0.0492 0.0112 0.0112 0.2573 0.2573 0.4296 0.4296 0.5584 0.5584 0.6563 0.6563 0.7664 0.7664 0.8755 0.8755 5.1017 5.1017 5.1102 5.1102 6.0858 6.0858 6.1178 6.1178 6.2926 6.2926 k = 0.1724 0.0995 0.4413 ( 9942 PWs) bands (ev): -15.1092 -15.1092 -15.1090 -15.1090 -12.8774 -12.8774 -12.8768 -12.8768 -12.8476 -12.8476 -12.8469 -12.8469 -8.7016 -8.7016 -8.6994 -8.6994 -4.5162 -4.5162 -4.5019 -4.5019 -3.8367 -3.8367 -3.7050 -3.7050 -3.5872 -3.5872 -3.4425 -3.4425 -0.6354 -0.6354 -0.5451 -0.5451 -0.2910 -0.2910 -0.1513 -0.1513 -0.0534 -0.0534 0.0159 0.0159 0.2714 0.2714 0.4383 0.4383 0.5567 0.5567 0.6388 0.6388 0.7625 0.7625 0.8615 0.8615 5.1001 5.1001 5.1103 5.1103 6.0888 6.0888 6.1204 6.1204 6.3138 6.3138 k = 0.1897 0.1095 0.4413 ( 9942 PWs) bands (ev): -15.1063 -15.1063 -15.1061 -15.1061 -12.8836 -12.8836 -12.8830 -12.8830 -12.8494 -12.8494 -12.8489 -12.8489 -8.6931 -8.6931 -8.6910 -8.6910 -4.5136 -4.5136 -4.4995 -4.4995 -3.8288 -3.8288 -3.7013 -3.7013 -3.5808 -3.5808 -3.4408 -3.4408 -0.6451 -0.6451 -0.5533 -0.5533 -0.3116 -0.3116 -0.1688 -0.1688 -0.0578 -0.0578 0.0191 0.0191 0.2838 0.2838 0.4406 0.4406 0.5595 0.5595 0.6253 0.6253 0.7586 0.7586 0.8495 0.8495 5.0964 5.0964 5.1085 5.1085 6.0904 6.0904 6.1210 6.1210 6.3392 6.3392 k = 0.2069 0.1195 0.4413 ( 9934 PWs) bands (ev): -15.1032 -15.1032 -15.1030 -15.1030 -12.8901 -12.8901 -12.8896 -12.8896 -12.8514 -12.8514 -12.8509 -12.8509 -8.6844 -8.6844 -8.6823 -8.6823 -4.5108 -4.5108 -4.4969 -4.4969 -3.8206 -3.8206 -3.6981 -3.6981 -3.5734 -3.5734 -3.4389 -3.4389 -0.6550 -0.6550 -0.5619 -0.5619 -0.3332 -0.3332 -0.1875 -0.1875 -0.0624 -0.0624 0.0203 0.0203 0.2939 0.2939 0.4378 0.4378 0.5636 0.5636 0.6182 0.6182 0.7548 0.7548 0.8403 0.8403 5.0907 5.0907 5.1046 5.1046 6.0904 6.0904 6.1197 6.1197 6.3684 6.3684 k = 0.2241 0.1294 0.4413 ( 9938 PWs) bands (ev): -15.1000 -15.1000 -15.0998 -15.0998 -12.8969 -12.8969 -12.8965 -12.8965 -12.8533 -12.8533 -12.8529 -12.8529 -8.6753 -8.6753 -8.6733 -8.6733 -4.5079 -4.5079 -4.4942 -4.4942 -3.8123 -3.8123 -3.6955 -3.6955 -3.5650 -3.5650 -3.4368 -3.4368 -0.6650 -0.6650 -0.5706 -0.5706 -0.3554 -0.3554 -0.2072 -0.2072 -0.0673 -0.0673 0.0193 0.0193 0.3014 0.3014 0.4326 0.4326 0.5644 0.5644 0.6194 0.6194 0.7520 0.7520 0.8347 0.8347 5.0833 5.0833 5.0987 5.0987 6.0889 6.0889 6.1166 6.1166 6.4007 6.4007 k = 0.2414 0.1394 0.4413 ( 9938 PWs) bands (ev): -15.0968 -15.0968 -15.0966 -15.0966 -12.9039 -12.9039 -12.9035 -12.9035 -12.8552 -12.8552 -12.8548 -12.8548 -8.6661 -8.6661 -8.6641 -8.6641 -4.5048 -4.5048 -4.4914 -4.4914 -3.8038 -3.8038 -3.6935 -3.6935 -3.5558 -3.5558 -3.4346 -3.4346 -0.6751 -0.6751 -0.5796 -0.5796 -0.3782 -0.3782 -0.2278 -0.2278 -0.0724 -0.0724 0.0158 0.0158 0.3062 0.3062 0.4269 0.4269 0.5618 0.5618 0.6259 0.6259 0.7516 0.7516 0.8328 0.8328 5.0743 5.0743 5.0911 5.0911 6.0857 6.0857 6.1119 6.1119 6.4354 6.4354 k = 0.2586 0.1493 0.4413 ( 9942 PWs) bands (ev): -15.0935 -15.0935 -15.0933 -15.0933 -12.9109 -12.9109 -12.9106 -12.9106 -12.8571 -12.8571 -12.8567 -12.8567 -8.6568 -8.6568 -8.6549 -8.6549 -4.5015 -4.5015 -4.4885 -4.4885 -3.7954 -3.7954 -3.6920 -3.6920 -3.5460 -3.5460 -3.4322 -3.4322 -0.6850 -0.6850 -0.5888 -0.5888 -0.4013 -0.4013 -0.2492 -0.2492 -0.0777 -0.0777 0.0100 0.0100 0.3086 0.3086 0.4217 0.4217 0.5582 0.5582 0.6320 0.6320 0.7555 0.7555 0.8347 0.8347 5.0641 5.0641 5.0820 5.0820 6.0812 6.0812 6.1058 6.1058 6.4716 6.4716 k = 0.2759 0.1593 0.4413 ( 9934 PWs) bands (ev): -15.0902 -15.0902 -15.0900 -15.0900 -12.9180 -12.9180 -12.9176 -12.9176 -12.8589 -12.8589 -12.8586 -12.8586 -8.6476 -8.6476 -8.6457 -8.6457 -4.4982 -4.4982 -4.4856 -4.4856 -3.7871 -3.7871 -3.6909 -3.6909 -3.5358 -3.5358 -3.4297 -3.4297 -0.6948 -0.6948 -0.5983 -0.5983 -0.4243 -0.4243 -0.2713 -0.2713 -0.0829 -0.0829 0.0023 0.0023 0.3095 0.3095 0.4168 0.4168 0.5553 0.5553 0.6345 0.6345 0.7650 0.7650 0.8398 0.8398 5.0530 5.0530 5.0717 5.0717 6.0755 6.0755 6.0986 6.0986 6.5087 6.5087 k = 0.2931 0.1692 0.4413 ( 9930 PWs) bands (ev): -15.0869 -15.0869 -15.0867 -15.0867 -12.9249 -12.9249 -12.9246 -12.9246 -12.8607 -12.8607 -12.8605 -12.8605 -8.6385 -8.6385 -8.6367 -8.6367 -4.4948 -4.4948 -4.4827 -4.4827 -3.7790 -3.7790 -3.6902 -3.6902 -3.5254 -3.5254 -3.4272 -3.4272 -0.7044 -0.7044 -0.6080 -0.6080 -0.4467 -0.4467 -0.2940 -0.2940 -0.0877 -0.0877 -0.0068 -0.0068 0.3093 0.3093 0.4120 0.4120 0.5536 0.5536 0.6327 0.6327 0.7796 0.7796 0.8478 0.8478 5.0414 5.0414 5.0606 5.0606 6.0688 6.0688 6.0904 6.0904 6.5458 6.5458 k = 0.3103 0.1792 0.4413 ( 9934 PWs) bands (ev): -15.0837 -15.0837 -15.0836 -15.0836 -12.9316 -12.9316 -12.9314 -12.9314 -12.8625 -12.8625 -12.8622 -12.8622 -8.6297 -8.6297 -8.6279 -8.6279 -4.4913 -4.4913 -4.4799 -4.4799 -3.7711 -3.7711 -3.6898 -3.6898 -3.5149 -3.5149 -3.4247 -3.4247 -0.7136 -0.7136 -0.6182 -0.6182 -0.4681 -0.4681 -0.3169 -0.3169 -0.0922 -0.0922 -0.0168 -0.0168 0.3087 0.3087 0.4069 0.4069 0.5529 0.5529 0.6281 0.6281 0.7976 0.7976 0.8581 0.8581 5.0295 5.0295 5.0489 5.0489 6.0613 6.0613 6.0816 6.0816 6.5825 6.5825 k = 0.3276 0.1891 0.4413 ( 9944 PWs) bands (ev): -15.0807 -15.0807 -15.0805 -15.0805 -12.9381 -12.9381 -12.9379 -12.9379 -12.8641 -12.8641 -12.8639 -12.8639 -8.6212 -8.6212 -8.6196 -8.6196 -4.4879 -4.4879 -4.4771 -4.4771 -3.7635 -3.7635 -3.6897 -3.6897 -3.5046 -3.5046 -3.4222 -3.4222 -0.7224 -0.7224 -0.6290 -0.6290 -0.4879 -0.4879 -0.3399 -0.3399 -0.0960 -0.0960 -0.0270 -0.0270 0.3079 0.3079 0.4012 0.4012 0.5532 0.5532 0.6220 0.6220 0.8173 0.8173 0.8699 0.8699 5.0178 5.0178 5.0369 5.0369 6.0535 6.0535 6.0723 6.0723 6.6179 6.6179 k = 0.3448 0.1991 0.4413 ( 9948 PWs) bands (ev): -15.0778 -15.0778 -15.0776 -15.0776 -12.9442 -12.9442 -12.9440 -12.9440 -12.8657 -12.8657 -12.8655 -12.8655 -8.6132 -8.6132 -8.6117 -8.6117 -4.4846 -4.4846 -4.4746 -4.4746 -3.7563 -3.7563 -3.6898 -3.6898 -3.4947 -3.4947 -3.4199 -3.4199 -0.7305 -0.7305 -0.6406 -0.6406 -0.5053 -0.5053 -0.3627 -0.3627 -0.0991 -0.0991 -0.0370 -0.0370 0.3069 0.3069 0.3949 0.3949 0.5541 0.5541 0.6155 0.6155 0.8376 0.8376 0.8828 0.8828 5.0065 5.0065 5.0250 5.0250 6.0453 6.0453 6.0628 6.0628 6.6517 6.6517 k = 0.3621 0.2090 0.4413 ( 9960 PWs) bands (ev): -15.0751 -15.0751 -15.0749 -15.0749 -12.9500 -12.9500 -12.9497 -12.9497 -12.8671 -12.8671 -12.8670 -12.8670 -8.6057 -8.6057 -8.6044 -8.6044 -4.4814 -4.4814 -4.4722 -4.4722 -3.7496 -3.7496 -3.6901 -3.6901 -3.4852 -3.4852 -3.4177 -3.4177 -0.7380 -0.7380 -0.6530 -0.6530 -0.5200 -0.5200 -0.3848 -0.3848 -0.1014 -0.1014 -0.0464 -0.0464 0.3059 0.3059 0.3881 0.3881 0.5556 0.5556 0.6092 0.6092 0.8575 0.8575 0.8960 0.8960 4.9958 4.9958 5.0134 5.0134 6.0373 6.0373 6.0533 6.0533 6.6833 6.6833 k = 0.3793 0.2190 0.4413 ( 9950 PWs) bands (ev): -15.0726 -15.0726 -15.0725 -15.0725 -12.9552 -12.9552 -12.9550 -12.9550 -12.8685 -12.8685 -12.8683 -12.8683 -8.5989 -8.5989 -8.5977 -8.5977 -4.4783 -4.4783 -4.4700 -4.4700 -3.7433 -3.7433 -3.6905 -3.6905 -3.4764 -3.4764 -3.4158 -3.4158 -0.7446 -0.7446 -0.6662 -0.6662 -0.5315 -0.5315 -0.4060 -0.4060 -0.1029 -0.1029 -0.0551 -0.0551 0.3048 0.3048 0.3809 0.3809 0.5574 0.5574 0.6034 0.6034 0.8763 0.8763 0.9089 0.9089 4.9861 4.9861 5.0024 5.0024 6.0295 6.0295 6.0442 6.0442 6.7123 6.7123 k = 0.3966 0.2289 0.4413 ( 9950 PWs) bands (ev): -15.0704 -15.0704 -15.0703 -15.0703 -12.9598 -12.9598 -12.9596 -12.9596 -12.8696 -12.8696 -12.8695 -12.8695 -8.5929 -8.5929 -8.5917 -8.5917 -4.4755 -4.4755 -4.4682 -4.4682 -3.7376 -3.7376 -3.6912 -3.6912 -3.4684 -3.4684 -3.4141 -3.4141 -0.7501 -0.7501 -0.6797 -0.6797 -0.5399 -0.5399 -0.4260 -0.4260 -0.1036 -0.1036 -0.0630 -0.0630 0.3038 0.3038 0.3736 0.3736 0.5594 0.5594 0.5983 0.5983 0.8937 0.8937 0.9212 0.9212 4.9775 4.9775 4.9922 4.9922 6.0222 6.0222 6.0356 6.0356 6.7383 6.7383 k = 0.4138 0.2389 0.4413 ( 9948 PWs) bands (ev): -15.0684 -15.0684 -15.0683 -15.0683 -12.9638 -12.9638 -12.9637 -12.9637 -12.8706 -12.8706 -12.8705 -12.8705 -8.5876 -8.5876 -8.5866 -8.5866 -4.4729 -4.4729 -4.4666 -4.4666 -3.7324 -3.7324 -3.6919 -3.6919 -3.4613 -3.4613 -3.4127 -3.4127 -0.7544 -0.7544 -0.6931 -0.6931 -0.5454 -0.5454 -0.4443 -0.4443 -0.1036 -0.1036 -0.0699 -0.0699 0.3029 0.3029 0.3665 0.3665 0.5614 0.5614 0.5940 0.5940 0.9091 0.9091 0.9322 0.9322 4.9702 4.9702 4.9830 4.9830 6.0158 6.0158 6.0277 6.0277 6.7610 6.7610 k = 0.4310 0.2489 0.4413 ( 9956 PWs) bands (ev): -15.0668 -15.0668 -15.0667 -15.0667 -12.9672 -12.9672 -12.9671 -12.9671 -12.8715 -12.8715 -12.8713 -12.8713 -8.5832 -8.5832 -8.5823 -8.5823 -4.4706 -4.4706 -4.4654 -4.4654 -3.7279 -3.7279 -3.6928 -3.6928 -3.4553 -3.4553 -3.4117 -3.4117 -0.7574 -0.7574 -0.7057 -0.7057 -0.5484 -0.5484 -0.4607 -0.4607 -0.1029 -0.1029 -0.0760 -0.0760 0.3022 0.3022 0.3600 0.3600 0.5635 0.5635 0.5903 0.5903 0.9223 0.9223 0.9415 0.9415 4.9644 4.9644 4.9749 4.9749 6.0102 6.0102 6.0209 6.0209 6.7800 6.7800 k = 0.4483 0.2588 0.4413 ( 9954 PWs) bands (ev): -15.0655 -15.0655 -15.0655 -15.0655 -12.9699 -12.9699 -12.9697 -12.9697 -12.8721 -12.8721 -12.8720 -12.8720 -8.5797 -8.5797 -8.5789 -8.5789 -4.4687 -4.4687 -4.4645 -4.4645 -3.7241 -3.7241 -3.6937 -3.6937 -3.4504 -3.4504 -3.4109 -3.4109 -0.7590 -0.7590 -0.7170 -0.7170 -0.5493 -0.5493 -0.4748 -0.4748 -0.1015 -0.1015 -0.0814 -0.0814 0.3017 0.3017 0.3543 0.3543 0.5654 0.5654 0.5874 0.5874 0.9330 0.9330 0.9490 0.9490 4.9600 4.9600 4.9682 4.9682 6.0057 6.0057 6.0154 6.0154 6.7952 6.7952 k = 0.4655 0.2688 0.4413 ( 9970 PWs) bands (ev): -15.0646 -15.0646 -15.0646 -15.0646 -12.9718 -12.9718 -12.9717 -12.9717 -12.8726 -12.8726 -12.8725 -12.8725 -8.5771 -8.5771 -8.5765 -8.5765 -4.4671 -4.4671 -4.4640 -4.4640 -3.7212 -3.7212 -3.6945 -3.6945 -3.4467 -3.4467 -3.4105 -3.4105 -0.7594 -0.7594 -0.7263 -0.7263 -0.5488 -0.5488 -0.4859 -0.4859 -0.0997 -0.0997 -0.0860 -0.0860 0.3014 0.3014 0.3499 0.3499 0.5670 0.5670 0.5852 0.5852 0.9410 0.9410 0.9544 0.9544 4.9573 4.9573 4.9629 4.9629 6.0025 6.0025 6.0112 6.0112 6.8063 6.8063 k = 0.4828 0.2787 0.4413 ( 9960 PWs) bands (ev): -15.0641 -15.0641 -15.0640 -15.0640 -12.9729 -12.9729 -12.9729 -12.9729 -12.8729 -12.8729 -12.8728 -12.8728 -8.5756 -8.5756 -8.5750 -8.5750 -4.4661 -4.4661 -4.4638 -4.4638 -3.7194 -3.7194 -3.6951 -3.6951 -3.4445 -3.4445 -3.4102 -3.4102 -0.7588 -0.7588 -0.7327 -0.7327 -0.5478 -0.5478 -0.4933 -0.4933 -0.0974 -0.0974 -0.0899 -0.0899 0.3013 0.3013 0.3471 0.3471 0.5682 0.5682 0.5837 0.5837 0.9459 0.9459 0.9576 0.9576 4.9562 4.9562 4.9591 4.9591 6.0005 6.0005 6.0087 6.0087 6.8131 6.8131 k = 0.5000 0.2887 0.4413 ( 9972 PWs) bands (ev): -15.0639 -15.0639 -15.0638 -15.0638 -12.9733 -12.9733 -12.9732 -12.9732 -12.8730 -12.8730 -12.8729 -12.8729 -8.5751 -8.5751 -8.5745 -8.5745 -4.4657 -4.4657 -4.4637 -4.4637 -3.7187 -3.7187 -3.6954 -3.6954 -3.4437 -3.4437 -3.4101 -3.4101 -0.7584 -0.7584 -0.7351 -0.7351 -0.5473 -0.5473 -0.4960 -0.4960 -0.0957 -0.0957 -0.0921 -0.0921 0.3013 0.3013 0.3462 0.3462 0.5686 0.5686 0.5832 0.5832 0.9476 0.9476 0.9586 0.9586 4.9565 4.9565 4.9572 4.9572 5.9998 5.9998 6.0078 6.0078 6.8153 6.8153 k = 0.5000 0.2887 0.4413 ( 9972 PWs) bands (ev): -15.0639 -15.0639 -15.0638 -15.0638 -12.9733 -12.9733 -12.9732 -12.9732 -12.8730 -12.8730 -12.8729 -12.8729 -8.5751 -8.5751 -8.5745 -8.5745 -4.4657 -4.4657 -4.4637 -4.4637 -3.7187 -3.7187 -3.6954 -3.6954 -3.4437 -3.4437 -3.4101 -3.4101 -0.7584 -0.7584 -0.7351 -0.7351 -0.5473 -0.5473 -0.4960 -0.4960 -0.0957 -0.0957 -0.0921 -0.0921 0.3013 0.3013 0.3462 0.3462 0.5686 0.5686 0.5832 0.5832 0.9476 0.9476 0.9586 0.9586 4.9565 4.9565 4.9572 4.9572 5.9998 5.9998 6.0078 6.0078 6.8153 6.8153 k = 0.4902 0.3057 0.4413 ( 9952 PWs) bands (ev): -15.0638 -15.0638 -15.0637 -15.0637 -12.9733 -12.9733 -12.9732 -12.9732 -12.8732 -12.8732 -12.8731 -12.8731 -8.5749 -8.5749 -8.5743 -8.5743 -4.4655 -4.4655 -4.4635 -4.4635 -3.7196 -3.7196 -3.6944 -3.6944 -3.4445 -3.4445 -3.4098 -3.4098 -0.7587 -0.7587 -0.7350 -0.7350 -0.5485 -0.5485 -0.4962 -0.4962 -0.0957 -0.0957 -0.0905 -0.0905 0.3002 0.3002 0.3471 0.3471 0.5675 0.5675 0.5841 0.5841 0.9478 0.9478 0.9589 0.9589 4.9535 4.9535 4.9565 4.9565 6.0022 6.0022 6.0106 6.0106 6.8134 6.8134 k = 0.4804 0.3226 0.4413 ( 9952 PWs) bands (ev): -15.0636 -15.0636 -15.0636 -15.0636 -12.9731 -12.9731 -12.9730 -12.9730 -12.8739 -12.8739 -12.8737 -12.8737 -8.5743 -8.5743 -8.5738 -8.5738 -4.4650 -4.4650 -4.4629 -4.4629 -3.7217 -3.7217 -3.6919 -3.6919 -3.4468 -3.4468 -3.4088 -3.4088 -0.7596 -0.7596 -0.7347 -0.7347 -0.5518 -0.5518 -0.4970 -0.4970 -0.0950 -0.0950 -0.0866 -0.0866 0.2970 0.2970 0.3494 0.3494 0.5646 0.5646 0.5861 0.5861 0.9486 0.9486 0.9597 0.9597 4.9466 4.9466 4.9525 4.9525 6.0093 6.0093 6.0188 6.0188 6.8075 6.8075 k = 0.4706 0.3396 0.4413 ( 9948 PWs) bands (ev): -15.0633 -15.0633 -15.0633 -15.0633 -12.9729 -12.9729 -12.9726 -12.9726 -12.8751 -12.8751 -12.8748 -12.8748 -8.5734 -8.5734 -8.5728 -8.5728 -4.4641 -4.4641 -4.4618 -4.4618 -3.7247 -3.7247 -3.6883 -3.6883 -3.4504 -3.4504 -3.4074 -3.4074 -0.7609 -0.7609 -0.7343 -0.7343 -0.5572 -0.5572 -0.4984 -0.4984 -0.0930 -0.0930 -0.0811 -0.0811 0.2923 0.2923 0.3528 0.3528 0.5607 0.5607 0.5884 0.5884 0.9499 0.9499 0.9611 0.9611 4.9365 4.9365 4.9452 4.9452 6.0208 6.0208 6.0320 6.0320 6.7978 6.7978 k = 0.4608 0.3566 0.4413 ( 9930 PWs) bands (ev): -15.0630 -15.0630 -15.0629 -15.0629 -12.9725 -12.9725 -12.9722 -12.9722 -12.8766 -12.8766 -12.8762 -12.8762 -8.5722 -8.5722 -8.5715 -8.5715 -4.4628 -4.4628 -4.4604 -4.4604 -3.7280 -3.7280 -3.6841 -3.6841 -3.4548 -3.4548 -3.4058 -3.4058 -0.7627 -0.7627 -0.7338 -0.7338 -0.5643 -0.5643 -0.5005 -0.5005 -0.0896 -0.0896 -0.0743 -0.0743 0.2865 0.2865 0.3565 0.3565 0.5565 0.5565 0.5907 0.5907 0.9517 0.9517 0.9630 0.9630 4.9238 4.9238 4.9350 4.9350 6.0365 6.0365 6.0496 6.0496 6.7846 6.7846 k = 0.4510 0.3736 0.4413 ( 9938 PWs) bands (ev): -15.0625 -15.0625 -15.0624 -15.0624 -12.9721 -12.9721 -12.9717 -12.9717 -12.8785 -12.8785 -12.8780 -12.8780 -8.5706 -8.5706 -8.5700 -8.5700 -4.4613 -4.4613 -4.4587 -4.4587 -3.7314 -3.7314 -3.6795 -3.6795 -3.4600 -3.4600 -3.4042 -3.4042 -0.7647 -0.7647 -0.7331 -0.7331 -0.5727 -0.5727 -0.5033 -0.5033 -0.0849 -0.0849 -0.0665 -0.0665 0.2799 0.2799 0.3602 0.3602 0.5519 0.5519 0.5927 0.5927 0.9541 0.9541 0.9653 0.9653 4.9090 4.9090 4.9226 4.9226 6.0557 6.0557 6.0710 6.0710 6.7681 6.7681 k = 0.4412 0.3906 0.4413 ( 9950 PWs) bands (ev): -15.0619 -15.0619 -15.0618 -15.0618 -12.9716 -12.9716 -12.9711 -12.9711 -12.8807 -12.8807 -12.8800 -12.8800 -8.5688 -8.5688 -8.5682 -8.5682 -4.4594 -4.4594 -4.4568 -4.4568 -3.7347 -3.7347 -3.6747 -3.6747 -3.4658 -3.4658 -3.4027 -3.4027 -0.7670 -0.7670 -0.7324 -0.7324 -0.5822 -0.5822 -0.5069 -0.5069 -0.0792 -0.0792 -0.0577 -0.0577 0.2727 0.2727 0.3636 0.3636 0.5474 0.5474 0.5943 0.5943 0.9570 0.9570 0.9681 0.9681 4.8928 4.8928 4.9085 4.9085 6.0778 6.0778 6.0954 6.0954 6.7488 6.7488 k = 0.4314 0.4075 0.4413 ( 9940 PWs) bands (ev): -15.0613 -15.0613 -15.0612 -15.0612 -12.9710 -12.9710 -12.9705 -12.9705 -12.8831 -12.8831 -12.8823 -12.8823 -8.5668 -8.5668 -8.5661 -8.5661 -4.4574 -4.4574 -4.4546 -4.4546 -3.7380 -3.7380 -3.6695 -3.6695 -3.4719 -3.4719 -3.4014 -3.4014 -0.7695 -0.7695 -0.7316 -0.7316 -0.5924 -0.5924 -0.5110 -0.5110 -0.0726 -0.0726 -0.0482 -0.0482 0.2649 0.2649 0.3664 0.3664 0.5428 0.5428 0.5956 0.5956 0.9605 0.9605 0.9712 0.9712 4.8759 4.8759 4.8935 4.8935 6.1022 6.1022 6.1223 6.1223 6.7270 6.7270 k = 0.4216 0.4245 0.4413 ( 9936 PWs) bands (ev): -15.0606 -15.0606 -15.0605 -15.0605 -12.9704 -12.9704 -12.9698 -12.9698 -12.8856 -12.8856 -12.8848 -12.8848 -8.5647 -8.5647 -8.5640 -8.5640 -4.4552 -4.4552 -4.4524 -4.4524 -3.7410 -3.7410 -3.6642 -3.6642 -3.4784 -3.4784 -3.4002 -3.4002 -0.7719 -0.7719 -0.7306 -0.7306 -0.6030 -0.6030 -0.5157 -0.5157 -0.0653 -0.0653 -0.0382 -0.0382 0.2568 0.2568 0.3685 0.3685 0.5386 0.5386 0.5965 0.5965 0.9645 0.9645 0.9747 0.9747 4.8588 4.8588 4.8782 4.8782 6.1281 6.1281 6.1509 6.1509 6.7032 6.7032 k = 0.4118 0.4415 0.4413 ( 9932 PWs) bands (ev): -15.0599 -15.0599 -15.0598 -15.0598 -12.9698 -12.9698 -12.9691 -12.9691 -12.8883 -12.8883 -12.8873 -12.8873 -8.5625 -8.5625 -8.5618 -8.5618 -4.4529 -4.4529 -4.4501 -4.4501 -3.7439 -3.7439 -3.6588 -3.6588 -3.4849 -3.4849 -3.3991 -3.3991 -0.7744 -0.7744 -0.7295 -0.7295 -0.6139 -0.6139 -0.5207 -0.5207 -0.0576 -0.0576 -0.0280 -0.0280 0.2482 0.2482 0.3696 0.3696 0.5346 0.5346 0.5971 0.5971 0.9688 0.9688 0.9784 0.9784 4.8423 4.8423 4.8631 4.8631 6.1548 6.1548 6.1805 6.1805 6.6779 6.6779 k = 0.4020 0.4585 0.4413 ( 9934 PWs) bands (ev): -15.0592 -15.0592 -15.0591 -15.0591 -12.9693 -12.9693 -12.9684 -12.9684 -12.8909 -12.8909 -12.8899 -12.8899 -8.5603 -8.5603 -8.5595 -8.5595 -4.4506 -4.4506 -4.4479 -4.4479 -3.7464 -3.7464 -3.6534 -3.6534 -3.4914 -3.4914 -3.3983 -3.3983 -0.7768 -0.7768 -0.7282 -0.7282 -0.6247 -0.6247 -0.5259 -0.5259 -0.0496 -0.0496 -0.0177 -0.0177 0.2395 0.2395 0.3698 0.3698 0.5312 0.5312 0.5973 0.5973 0.9734 0.9734 0.9822 0.9822 4.8266 4.8266 4.8487 4.8487 6.1816 6.1816 6.2106 6.2106 6.6518 6.6518 k = 0.3922 0.4755 0.4413 ( 9946 PWs) bands (ev): -15.0585 -15.0585 -15.0584 -15.0584 -12.9688 -12.9688 -12.9678 -12.9678 -12.8934 -12.8934 -12.8923 -12.8923 -8.5581 -8.5581 -8.5574 -8.5574 -4.4484 -4.4484 -4.4458 -4.4458 -3.7486 -3.7486 -3.6481 -3.6481 -3.4977 -3.4977 -3.3975 -3.3975 -0.7791 -0.7791 -0.7267 -0.7267 -0.6352 -0.6352 -0.5310 -0.5310 -0.0418 -0.0418 -0.0078 -0.0078 0.2306 0.2306 0.3690 0.3690 0.5284 0.5284 0.5974 0.5974 0.9781 0.9781 0.9860 0.9860 4.8123 4.8123 4.8356 4.8356 6.2077 6.2077 6.2404 6.2404 6.6253 6.6253 k = 0.3824 0.4924 0.4413 ( 9940 PWs) bands (ev): -15.0578 -15.0578 -15.0577 -15.0577 -12.9683 -12.9683 -12.9673 -12.9673 -12.8957 -12.8957 -12.8945 -12.8945 -8.5561 -8.5561 -8.5553 -8.5553 -4.4463 -4.4463 -4.4439 -4.4439 -3.7505 -3.7505 -3.6429 -3.6429 -3.5037 -3.5037 -3.3969 -3.3969 -0.7811 -0.7811 -0.7252 -0.7252 -0.6450 -0.6450 -0.5359 -0.5359 -0.0344 -0.0344 0.0016 0.0016 0.2220 0.2220 0.3674 0.3674 0.5263 0.5263 0.5973 0.5973 0.9827 0.9827 0.9896 0.9896 4.7998 4.7998 4.8239 4.8239 6.2323 6.2323 6.2693 6.2693 6.5993 6.5993 k = 0.3725 0.5094 0.4413 ( 9938 PWs) bands (ev): -15.0572 -15.0572 -15.0571 -15.0571 -12.9680 -12.9680 -12.9669 -12.9669 -12.8978 -12.8978 -12.8964 -12.8964 -8.5543 -8.5543 -8.5535 -8.5535 -4.4444 -4.4444 -4.4423 -4.4423 -3.7520 -3.7520 -3.6382 -3.6382 -3.5091 -3.5091 -3.3963 -3.3963 -0.7829 -0.7829 -0.7236 -0.7236 -0.6539 -0.6539 -0.5404 -0.5404 -0.0276 -0.0276 0.0101 0.0101 0.2138 0.2138 0.3653 0.3653 0.5248 0.5248 0.5971 0.5971 0.9871 0.9871 0.9929 0.9929 4.7892 4.7892 4.8141 4.8141 6.2544 6.2544 6.2963 6.2963 6.5747 6.5747 k = 0.3627 0.5264 0.4413 ( 9938 PWs) bands (ev): -15.0567 -15.0567 -15.0566 -15.0566 -12.9677 -12.9677 -12.9666 -12.9666 -12.8994 -12.8994 -12.8980 -12.8980 -8.5528 -8.5528 -8.5520 -8.5520 -4.4428 -4.4428 -4.4411 -4.4411 -3.7531 -3.7531 -3.6340 -3.6340 -3.5137 -3.5137 -3.3959 -3.3959 -0.7844 -0.7844 -0.7220 -0.7220 -0.6615 -0.6615 -0.5442 -0.5442 -0.0218 -0.0218 0.0173 0.0173 0.2066 0.2066 0.3629 0.3629 0.5238 0.5238 0.5969 0.5969 0.9909 0.9909 0.9957 0.9957 4.7808 4.7808 4.8063 4.8063 6.2730 6.2730 6.3202 6.3202 6.5526 6.5526 k = 0.3529 0.5434 0.4413 ( 9958 PWs) bands (ev): -15.0564 -15.0564 -15.0563 -15.0563 -12.9676 -12.9676 -12.9664 -12.9664 -12.9006 -12.9006 -12.8992 -12.8992 -8.5516 -8.5516 -8.5509 -8.5509 -4.4415 -4.4415 -4.4402 -4.4402 -3.7539 -3.7539 -3.6308 -3.6308 -3.5172 -3.5172 -3.3956 -3.3956 -0.7855 -0.7855 -0.7208 -0.7208 -0.6674 -0.6674 -0.5472 -0.5472 -0.0173 -0.0173 0.0228 0.0228 0.2009 0.2009 0.3607 0.3607 0.5233 0.5233 0.5967 0.5967 0.9939 0.9939 0.9978 0.9978 4.7747 4.7747 4.8006 4.8006 6.2870 6.2870 6.3395 6.3395 6.5346 6.5346 k = 0.3431 0.5604 0.4413 ( 9950 PWs) bands (ev): -15.0561 -15.0561 -15.0560 -15.0560 -12.9676 -12.9676 -12.9664 -12.9664 -12.9014 -12.9014 -12.8999 -12.8999 -8.5509 -8.5509 -8.5501 -8.5501 -4.4405 -4.4405 -4.4398 -4.4398 -3.7544 -3.7544 -3.6288 -3.6288 -3.5193 -3.5193 -3.3953 -3.3953 -0.7861 -0.7861 -0.7200 -0.7200 -0.6710 -0.6710 -0.5491 -0.5491 -0.0145 -0.0145 0.0262 0.0262 0.1971 0.1971 0.3591 0.3591 0.5231 0.5231 0.5966 0.5966 0.9960 0.9960 0.9992 0.9992 4.7711 4.7711 4.7972 4.7972 6.2956 6.2956 6.3521 6.3521 6.5229 6.5229 k = 0.3333 0.5774 0.4413 ( 9954 PWs) bands (ev): -15.0560 -15.0560 -15.0559 -15.0559 -12.9676 -12.9676 -12.9664 -12.9664 -12.9016 -12.9016 -12.9001 -12.9001 -8.5506 -8.5506 -8.5499 -8.5499 -4.4401 -4.4401 -4.4398 -4.4398 -3.7545 -3.7545 -3.6281 -3.6281 -3.5201 -3.5201 -3.3953 -3.3953 -0.7864 -0.7864 -0.7198 -0.7198 -0.6723 -0.6723 -0.5498 -0.5498 -0.0135 -0.0135 0.0273 0.0273 0.1958 0.1958 0.3585 0.3585 0.5230 0.5230 0.5965 0.5965 0.9967 0.9967 0.9997 0.9997 4.7698 4.7698 4.7961 4.7961 6.2984 6.2984 6.3564 6.3564 6.5189 6.5189 k = 0.3333 0.5774 0.4413 ( 9954 PWs) bands (ev): -15.0560 -15.0560 -15.0559 -15.0559 -12.9676 -12.9676 -12.9664 -12.9664 -12.9016 -12.9016 -12.9001 -12.9001 -8.5506 -8.5506 -8.5499 -8.5499 -4.4401 -4.4401 -4.4398 -4.4398 -3.7545 -3.7545 -3.6281 -3.6281 -3.5201 -3.5201 -3.3953 -3.3953 -0.7864 -0.7864 -0.7198 -0.7198 -0.6723 -0.6723 -0.5498 -0.5498 -0.0135 -0.0135 0.0273 0.0273 0.1958 0.1958 0.3585 0.3585 0.5230 0.5230 0.5965 0.5965 0.9967 0.9967 0.9997 0.9997 4.7698 4.7698 4.7961 4.7961 6.2984 6.2984 6.3564 6.3564 6.5189 6.5189 k = 0.3235 0.5604 0.4413 ( 9950 PWs) bands (ev): -15.0561 -15.0561 -15.0560 -15.0560 -12.9676 -12.9676 -12.9663 -12.9663 -12.9014 -12.9014 -12.8999 -12.8999 -8.5509 -8.5509 -8.5501 -8.5501 -4.4406 -4.4406 -4.4398 -4.4398 -3.7544 -3.7544 -3.6288 -3.6288 -3.5194 -3.5194 -3.3954 -3.3954 -0.7861 -0.7861 -0.7199 -0.7199 -0.6711 -0.6711 -0.5490 -0.5490 -0.0145 -0.0145 0.0263 0.0263 0.1971 0.1971 0.3592 0.3592 0.5230 0.5230 0.5966 0.5966 0.9959 0.9959 0.9991 0.9991 4.7711 4.7711 4.7972 4.7972 6.2959 6.2959 6.3527 6.3527 6.5223 6.5223 k = 0.3137 0.5434 0.4413 ( 9936 PWs) bands (ev): -15.0564 -15.0564 -15.0563 -15.0563 -12.9675 -12.9674 -12.9663 -12.9663 -12.9007 -12.9007 -12.8992 -12.8992 -8.5518 -8.5518 -8.5510 -8.5510 -4.4416 -4.4416 -4.4401 -4.4401 -3.7541 -3.7541 -3.6308 -3.6308 -3.5174 -3.5174 -3.3956 -3.3956 -0.7854 -0.7854 -0.7198 -0.7198 -0.6678 -0.6678 -0.5467 -0.5467 -0.0175 -0.0175 0.0233 0.0233 0.2009 0.2009 0.3613 0.3613 0.5231 0.5231 0.5967 0.5967 0.9935 0.9935 0.9974 0.9974 4.7747 4.7747 4.8006 4.8006 6.2893 6.2893 6.3433 6.3433 6.5307 6.5307 k = 0.3039 0.5264 0.4413 ( 9956 PWs) bands (ev): -15.0569 -15.0569 -15.0568 -15.0568 -12.9672 -12.9672 -12.9660 -12.9660 -12.8996 -12.8996 -12.8982 -12.8982 -8.5533 -8.5533 -8.5525 -8.5525 -4.4432 -4.4432 -4.4409 -4.4409 -3.7536 -3.7536 -3.6339 -3.6339 -3.5146 -3.5146 -3.3962 -3.3962 -0.7841 -0.7841 -0.7190 -0.7190 -0.6629 -0.6629 -0.5426 -0.5426 -0.0224 -0.0224 0.0189 0.0189 0.2068 0.2068 0.3649 0.3649 0.5230 0.5230 0.5969 0.5969 0.9894 0.9894 0.9942 0.9942 4.7806 4.7806 4.8061 4.8061 6.2799 6.2799 6.3309 6.3309 6.5412 6.5412 k = 0.2941 0.5094 0.4413 ( 9944 PWs) bands (ev): -15.0577 -15.0577 -15.0576 -15.0576 -12.9666 -12.9666 -12.9655 -12.9655 -12.8981 -12.8981 -12.8967 -12.8967 -8.5554 -8.5554 -8.5546 -8.5546 -4.4452 -4.4452 -4.4421 -4.4421 -3.7531 -3.7531 -3.6379 -3.6379 -3.5111 -3.5111 -3.3970 -3.3970 -0.7822 -0.7822 -0.7171 -0.7171 -0.6565 -0.6565 -0.5366 -0.5366 -0.0287 -0.0287 0.0137 0.0137 0.2144 0.2144 0.3698 0.3698 0.5230 0.5230 0.5972 0.5972 0.9835 0.9835 0.9895 0.9895 4.7888 4.7888 4.8138 4.8138 6.2690 6.2690 6.3174 6.3174 6.5518 6.5518 k = 0.2843 0.4924 0.4413 ( 9938 PWs) bands (ev): -15.0586 -15.0586 -15.0585 -15.0585 -12.9658 -12.9658 -12.9647 -12.9647 -12.8963 -12.8963 -12.8950 -12.8950 -8.5582 -8.5582 -8.5574 -8.5574 -4.4477 -4.4477 -4.4437 -4.4437 -3.7526 -3.7526 -3.6424 -3.6424 -3.5075 -3.5075 -3.3981 -3.3981 -0.7797 -0.7797 -0.7137 -0.7137 -0.6489 -0.6489 -0.5286 -0.5286 -0.0361 -0.0361 0.0081 0.0081 0.2231 0.2231 0.3758 0.3758 0.5229 0.5229 0.5976 0.5976 0.9758 0.9758 0.9831 0.9831 4.7990 4.7990 4.8234 4.8234 6.2574 6.2574 6.3039 6.3039 6.5612 6.5612 k = 0.2745 0.4755 0.4413 ( 9926 PWs) bands (ev): -15.0599 -15.0599 -15.0598 -15.0598 -12.9645 -12.9645 -12.9635 -12.9635 -12.8943 -12.8943 -12.8930 -12.8930 -8.5617 -8.5617 -8.5608 -8.5608 -4.4506 -4.4506 -4.4457 -4.4457 -3.7522 -3.7522 -3.6474 -3.6474 -3.5041 -3.5041 -3.3996 -3.3996 -0.7766 -0.7766 -0.7089 -0.7089 -0.6400 -0.6400 -0.5185 -0.5185 -0.0441 -0.0441 0.0025 0.0025 0.2326 0.2326 0.3827 0.3827 0.5230 0.5230 0.5981 0.5981 0.9664 0.9664 0.9750 0.9750 4.8113 4.8113 4.8349 4.8349 6.2458 6.2458 6.2911 6.2911 6.5686 6.5686 k = 0.2647 0.4585 0.4413 ( 9934 PWs) bands (ev): -15.0613 -15.0613 -15.0612 -15.0612 -12.9629 -12.9629 -12.9619 -12.9619 -12.8920 -12.8920 -12.8908 -12.8908 -8.5660 -8.5660 -8.5649 -8.5649 -4.4538 -4.4538 -4.4481 -4.4481 -3.7521 -3.7521 -3.6524 -3.6524 -3.5012 -3.5012 -3.4014 -3.4014 -0.7729 -0.7729 -0.7026 -0.7026 -0.6299 -0.6299 -0.5063 -0.5063 -0.0521 -0.0521 -0.0027 -0.0027 0.2425 0.2425 0.3901 0.3901 0.5231 0.5231 0.5988 0.5988 0.9550 0.9550 0.9654 0.9654 4.8253 4.8253 4.8480 4.8480 6.2346 6.2346 6.2791 6.2791 6.5734 6.5734 k = 0.2549 0.4415 0.4413 ( 9924 PWs) bands (ev): -15.0631 -15.0631 -15.0629 -15.0629 -12.9607 -12.9607 -12.9598 -12.9598 -12.8895 -12.8895 -12.8884 -12.8884 -8.5708 -8.5708 -8.5698 -8.5698 -4.4573 -4.4573 -4.4507 -4.4507 -3.7523 -3.7523 -3.6575 -3.6575 -3.4990 -3.4990 -3.4035 -3.4035 -0.7685 -0.7685 -0.6950 -0.6950 -0.6185 -0.6185 -0.4920 -0.4920 -0.0599 -0.0599 -0.0072 -0.0072 0.2525 0.2525 0.3976 0.3976 0.5235 0.5235 0.5998 0.5998 0.9419 0.9419 0.9544 0.9544 4.8410 4.8410 4.8628 4.8628 6.2240 6.2240 6.2681 6.2681 6.5752 6.5752 k = 0.2451 0.4245 0.4413 ( 9908 PWs) bands (ev): -15.0650 -15.0650 -15.0649 -15.0649 -12.9581 -12.9581 -12.9572 -12.9572 -12.8870 -12.8870 -12.8859 -12.8859 -8.5764 -8.5764 -8.5752 -8.5752 -4.4611 -4.4611 -4.4536 -4.4536 -3.7530 -3.7530 -3.6624 -3.6624 -3.4978 -3.4978 -3.4060 -3.4060 -0.7634 -0.7634 -0.6864 -0.6864 -0.6056 -0.6056 -0.4756 -0.4756 -0.0670 -0.0670 -0.0108 -0.0108 0.2622 0.2622 0.4049 0.4049 0.5243 0.5243 0.6012 0.6012 0.9270 0.9270 0.9421 0.9421 4.8581 4.8581 4.8789 4.8789 6.2141 6.2141 6.2582 6.2582 6.5739 6.5739 k = 0.2353 0.4075 0.4413 ( 9914 PWs) bands (ev): -15.0672 -15.0672 -15.0671 -15.0671 -12.9549 -12.9549 -12.9541 -12.9541 -12.8843 -12.8843 -12.8832 -12.8832 -8.5826 -8.5826 -8.5813 -8.5813 -4.4650 -4.4650 -4.4568 -4.4568 -3.7543 -3.7543 -3.6670 -3.6670 -3.4979 -3.4979 -3.4086 -3.4086 -0.7577 -0.7577 -0.6769 -0.6769 -0.5909 -0.5909 -0.4573 -0.4573 -0.0732 -0.0732 -0.0132 -0.0132 0.2715 0.2715 0.4115 0.4115 0.5255 0.5255 0.6032 0.6032 0.9106 0.9106 0.9288 0.9288 4.8764 4.8764 4.8962 4.8962 6.2048 6.2048 6.2491 6.2491 6.5693 6.5693 k = 0.2255 0.3906 0.4413 ( 9934 PWs) bands (ev): -15.0696 -15.0696 -15.0695 -15.0695 -12.9512 -12.9512 -12.9504 -12.9504 -12.8815 -12.8815 -12.8805 -12.8805 -8.5894 -8.5894 -8.5880 -8.5880 -4.4692 -4.4692 -4.4601 -4.4601 -3.7562 -3.7562 -3.6713 -3.6713 -3.4992 -3.4992 -3.4114 -3.4114 -0.7513 -0.7513 -0.6670 -0.6670 -0.5746 -0.5746 -0.4373 -0.4373 -0.0784 -0.0784 -0.0143 -0.0143 0.2802 0.2802 0.4172 0.4172 0.5271 0.5271 0.6060 0.6060 0.8927 0.8927 0.9147 0.9147 4.8957 4.8957 4.9144 4.9144 6.1962 6.1962 6.2407 6.2407 6.5614 6.5614 k = 0.2157 0.3736 0.4413 ( 9938 PWs) bands (ev): -15.0722 -15.0722 -15.0721 -15.0721 -12.9471 -12.9471 -12.9463 -12.9463 -12.8787 -12.8787 -12.8778 -12.8778 -8.5967 -8.5967 -8.5953 -8.5953 -4.4733 -4.4733 -4.4636 -4.4635 -3.7589 -3.7589 -3.6750 -3.6750 -3.5019 -3.5019 -3.4142 -3.4142 -0.7443 -0.7443 -0.6569 -0.6569 -0.5564 -0.5564 -0.4157 -0.4157 -0.0823 -0.0823 -0.0139 -0.0139 0.2880 0.2880 0.4220 0.4220 0.5290 0.5290 0.6096 0.6096 0.8735 0.8735 0.9004 0.9004 4.9158 4.9158 4.9334 4.9334 6.1882 6.1882 6.2329 6.2329 6.5502 6.5502 k = 0.2059 0.3566 0.4413 ( 9954 PWs) bands (ev): -15.0750 -15.0750 -15.0749 -15.0749 -12.9424 -12.9424 -12.9417 -12.9417 -12.8759 -12.8759 -12.8750 -12.8750 -8.6046 -8.6046 -8.6030 -8.6030 -4.4776 -4.4776 -4.4671 -4.4671 -3.7625 -3.7625 -3.6783 -3.6783 -3.5060 -3.5060 -3.4171 -3.4171 -0.7367 -0.7367 -0.6467 -0.6467 -0.5365 -0.5365 -0.3929 -0.3929 -0.0850 -0.0850 -0.0121 -0.0121 0.2950 0.2950 0.4256 0.4256 0.5312 0.5312 0.6142 0.6142 0.8536 0.8536 0.8861 0.8861 4.9363 4.9363 4.9529 4.9529 6.1805 6.1805 6.2256 6.2256 6.5359 6.5359 k = 0.1961 0.3396 0.4413 ( 9966 PWs) bands (ev): -15.0780 -15.0780 -15.0778 -15.0778 -12.9373 -12.9373 -12.9366 -12.9366 -12.8730 -12.8730 -12.8722 -12.8722 -8.6129 -8.6129 -8.6112 -8.6112 -4.4818 -4.4818 -4.4707 -4.4707 -3.7669 -3.7669 -3.6811 -3.6811 -3.5114 -3.5114 -3.4199 -3.4199 -0.7285 -0.7285 -0.6366 -0.6366 -0.5151 -0.5151 -0.3691 -0.3691 -0.0864 -0.0864 -0.0088 -0.0088 0.3009 0.3009 0.4283 0.4283 0.5335 0.5335 0.6195 0.6195 0.8332 0.8332 0.8723 0.8723 4.9569 4.9569 4.9725 4.9725 6.1731 6.1731 6.2186 6.2186 6.5187 6.5187 k = 0.1863 0.3226 0.4413 ( 9954 PWs) bands (ev): -15.0810 -15.0810 -15.0809 -15.0809 -12.9319 -12.9319 -12.9312 -12.9312 -12.8702 -12.8702 -12.8694 -12.8694 -8.6215 -8.6215 -8.6198 -8.6198 -4.4859 -4.4859 -4.4742 -4.4742 -3.7720 -3.7720 -3.6835 -3.6835 -3.5179 -3.5179 -3.4227 -3.4227 -0.7200 -0.7200 -0.6266 -0.6266 -0.4926 -0.4926 -0.3448 -0.3448 -0.0865 -0.0865 -0.0044 -0.0044 0.3058 0.3058 0.4301 0.4301 0.5359 0.5359 0.6252 0.6252 0.8130 0.8130 0.8595 0.8595 4.9774 4.9774 4.9920 4.9920 6.1660 6.1660 6.2116 6.2116 6.4990 6.4990 k = 0.1765 0.3057 0.4413 ( 9936 PWs) bands (ev): -15.0842 -15.0842 -15.0841 -15.0841 -12.9261 -12.9261 -12.9254 -12.9254 -12.8674 -12.8674 -12.8667 -12.8667 -8.6305 -8.6305 -8.6287 -8.6287 -4.4900 -4.4900 -4.4778 -4.4778 -3.7780 -3.7780 -3.6856 -3.6856 -3.5254 -3.5254 -3.4254 -3.4254 -0.7110 -0.7110 -0.6167 -0.6167 -0.4692 -0.4692 -0.3203 -0.3203 -0.0854 -0.0854 0.0008 0.0008 0.3096 0.3096 0.4314 0.4314 0.5386 0.5386 0.6303 0.6303 0.7941 0.7941 0.8482 0.8482 4.9974 4.9974 5.0111 5.0111 6.1589 6.1589 6.2047 6.2047 6.4771 6.4771 k = 0.1667 0.2887 0.4413 ( 9944 PWs) bands (ev): -15.0875 -15.0875 -15.0873 -15.0873 -12.9200 -12.9200 -12.9193 -12.9193 -12.8647 -12.8647 -12.8640 -12.8640 -8.6397 -8.6397 -8.6378 -8.6378 -4.4940 -4.4940 -4.4813 -4.4813 -3.7845 -3.7845 -3.6874 -3.6874 -3.5335 -3.5335 -3.4280 -3.4280 -0.7018 -0.7018 -0.6070 -0.6070 -0.4453 -0.4453 -0.2958 -0.2958 -0.0833 -0.0833 0.0064 0.0064 0.3122 0.3122 0.4324 0.4324 0.5418 0.5418 0.6336 0.6336 0.7776 0.7776 0.8390 0.8390 5.0165 5.0165 5.0293 5.0293 6.1517 6.1517 6.1975 6.1975 6.4536 6.4536 k = 0.1569 0.2717 0.4413 ( 9954 PWs) bands (ev): -15.0908 -15.0908 -15.0906 -15.0906 -12.9137 -12.9137 -12.9130 -12.9130 -12.8620 -12.8620 -12.8614 -12.8614 -8.6490 -8.6490 -8.6471 -8.6471 -4.4978 -4.4978 -4.4847 -4.4847 -3.7916 -3.7916 -3.6892 -3.6892 -3.5421 -3.5421 -3.4305 -3.4305 -0.6923 -0.6923 -0.5974 -0.5974 -0.4213 -0.4213 -0.2719 -0.2719 -0.0802 -0.0802 0.0118 0.0118 0.3134 0.3134 0.4335 0.4335 0.5456 0.5456 0.6337 0.6337 0.7650 0.7650 0.8324 0.8324 5.0345 5.0345 5.0463 5.0463 6.1445 6.1445 6.1902 6.1902 6.4290 6.4290 k = 0.1471 0.2547 0.4413 ( 9954 PWs) bands (ev): -15.0941 -15.0941 -15.0939 -15.0939 -12.9072 -12.9072 -12.9066 -12.9066 -12.8595 -12.8594 -12.8588 -12.8588 -8.6584 -8.6584 -8.6564 -8.6564 -4.5014 -4.5014 -4.4880 -4.4880 -3.7991 -3.7991 -3.6911 -3.6911 -3.5509 -3.5509 -3.4329 -3.4329 -0.6826 -0.6826 -0.5879 -0.5879 -0.3975 -0.3975 -0.2486 -0.2486 -0.0764 -0.0764 0.0165 0.0165 0.3127 0.3127 0.4353 0.4353 0.5502 0.5502 0.6298 0.6298 0.7576 0.7576 0.8288 0.8288 5.0508 5.0508 5.0618 5.0618 6.1372 6.1372 6.1824 6.1824 6.4041 6.4041 k = 0.1373 0.2377 0.4413 ( 9948 PWs) bands (ev): -15.0974 -15.0974 -15.0972 -15.0972 -12.9008 -12.9008 -12.9001 -12.9001 -12.8569 -12.8569 -12.8563 -12.8563 -8.6677 -8.6677 -8.6657 -8.6657 -4.5049 -4.5049 -4.4912 -4.4912 -3.8068 -3.8068 -3.6932 -3.6932 -3.5595 -3.5595 -3.4352 -3.4352 -0.6728 -0.6728 -0.5786 -0.5786 -0.3741 -0.3741 -0.2263 -0.2263 -0.0721 -0.0721 0.0199 0.0199 0.3097 0.3097 0.4380 0.4380 0.5550 0.5550 0.6231 0.6231 0.7549 0.7549 0.8286 0.8286 5.0653 5.0653 5.0754 5.0754 6.1296 6.1296 6.1743 6.1743 6.3794 6.3794 k = 0.1275 0.2208 0.4413 ( 9932 PWs) bands (ev): -15.1006 -15.1006 -15.1004 -15.1004 -12.8943 -12.8943 -12.8937 -12.8937 -12.8545 -12.8545 -12.8539 -12.8539 -8.6769 -8.6769 -8.6748 -8.6748 -4.5081 -4.5081 -4.4942 -4.4942 -3.8147 -3.8147 -3.6956 -3.6956 -3.5678 -3.5678 -3.4373 -3.4373 -0.6630 -0.6630 -0.5696 -0.5696 -0.3513 -0.3513 -0.2051 -0.2051 -0.0676 -0.0676 0.0215 0.0215 0.3039 0.3039 0.4415 0.4415 0.5584 0.5584 0.6174 0.6174 0.7557 0.7557 0.8322 0.8322 5.0776 5.0776 5.0867 5.0867 6.1220 6.1220 6.1657 6.1657 6.3557 6.3557 k = 0.1176 0.2038 0.4413 ( 9932 PWs) bands (ev): -15.1037 -15.1037 -15.1036 -15.1036 -12.8880 -12.8880 -12.8873 -12.8873 -12.8522 -12.8522 -12.8515 -12.8515 -8.6858 -8.6858 -8.6837 -8.6837 -4.5111 -4.5111 -4.4970 -4.4970 -3.8226 -3.8226 -3.6985 -3.6985 -3.5754 -3.5754 -3.4393 -3.4393 -0.6532 -0.6532 -0.5607 -0.5607 -0.3292 -0.3292 -0.1850 -0.1850 -0.0631 -0.0631 0.0213 0.0213 0.2952 0.2952 0.4444 0.4444 0.5582 0.5582 0.6177 0.6177 0.7581 0.7581 0.8394 0.8394 5.0875 5.0875 5.0956 5.0956 6.1142 6.1142 6.1567 6.1567 6.3335 6.3335 k = 0.1078 0.1868 0.4413 ( 9936 PWs) bands (ev): -15.1068 -15.1068 -15.1066 -15.1066 -12.8819 -12.8819 -12.8812 -12.8812 -12.8500 -12.8500 -12.8493 -12.8493 -8.6945 -8.6945 -8.6924 -8.6924 -4.5139 -4.5139 -4.4997 -4.4997 -3.8304 -3.8304 -3.7018 -3.7018 -3.5823 -3.5823 -3.4411 -3.4411 -0.6435 -0.6435 -0.5522 -0.5522 -0.3080 -0.3080 -0.1663 -0.1663 -0.0586 -0.0586 0.0192 0.0192 0.2840 0.2840 0.4447 0.4447 0.5557 0.5557 0.6260 0.6260 0.7613 0.7613 0.8498 0.8498 5.0947 5.0947 5.1020 5.1020 6.1065 6.1065 6.1473 6.1473 6.3135 6.3135 k = 0.0980 0.1698 0.4413 ( 9944 PWs) bands (ev): -15.1096 -15.1096 -15.1095 -15.1095 -12.8761 -12.8761 -12.8753 -12.8753 -12.8478 -12.8478 -12.8471 -12.8471 -8.7027 -8.7027 -8.7006 -8.7006 -4.5164 -4.5164 -4.5022 -4.5022 -3.8380 -3.8380 -3.7055 -3.7055 -3.5883 -3.5883 -3.4428 -3.4428 -0.6340 -0.6340 -0.5441 -0.5441 -0.2879 -0.2879 -0.1488 -0.1488 -0.0541 -0.0541 0.0155 0.0155 0.2708 0.2708 0.4398 0.4398 0.5549 0.5549 0.6402 0.6402 0.7646 0.7646 0.8626 0.8626 5.0994 5.0994 5.1057 5.1057 6.0988 6.0988 6.1377 6.1377 6.2960 6.2960 k = 0.0882 0.1528 0.4413 ( 9942 PWs) bands (ev): -15.1123 -15.1123 -15.1122 -15.1122 -12.8706 -12.8706 -12.8699 -12.8699 -12.8458 -12.8458 -12.8450 -12.8450 -8.7105 -8.7105 -8.7083 -8.7083 -4.5187 -4.5187 -4.5044 -4.5044 -3.8453 -3.8453 -3.7097 -3.7097 -3.5933 -3.5933 -3.4442 -3.4442 -0.6247 -0.6247 -0.5364 -0.5364 -0.2689 -0.2689 -0.1328 -0.1328 -0.0496 -0.0496 0.0105 0.0105 0.2562 0.2562 0.4292 0.4292 0.5582 0.5582 0.6582 0.6582 0.7679 0.7679 0.8770 0.8770 5.1015 5.1015 5.1069 5.1069 6.0915 6.0915 6.1282 6.1282 6.2812 6.2812 k = 0.0784 0.1358 0.4413 ( 9934 PWs) bands (ev): -15.1148 -15.1148 -15.1146 -15.1146 -12.8657 -12.8657 -12.8649 -12.8649 -12.8438 -12.8438 -12.8429 -12.8429 -8.7177 -8.7177 -8.7155 -8.7155 -4.5208 -4.5208 -4.5065 -4.5065 -3.8521 -3.8521 -3.7141 -3.7141 -3.5974 -3.5974 -3.4455 -3.4455 -0.6159 -0.6159 -0.5293 -0.5293 -0.2511 -0.2511 -0.1183 -0.1183 -0.0449 -0.0449 0.0047 0.0047 0.2409 0.2409 0.4142 0.4142 0.5650 0.5650 0.6781 0.6781 0.7712 0.7712 0.8923 0.8923 5.1013 5.1013 5.1060 5.1060 6.0846 6.0846 6.1189 6.1189 6.2691 6.2691 k = 0.0686 0.1189 0.4413 ( 9946 PWs) bands (ev): -15.1171 -15.1171 -15.1169 -15.1169 -12.8614 -12.8614 -12.8604 -12.8604 -12.8419 -12.8419 -12.8409 -12.8409 -8.7242 -8.7242 -8.7220 -8.7220 -4.5226 -4.5226 -4.5083 -4.5083 -3.8584 -3.8584 -3.7185 -3.7185 -3.6007 -3.6007 -3.4466 -3.4466 -0.6075 -0.6075 -0.5228 -0.5228 -0.2350 -0.2350 -0.1054 -0.1054 -0.0400 -0.0400 -0.0015 -0.0015 0.2255 0.2255 0.3968 0.3968 0.5736 0.5736 0.6988 0.6988 0.7743 0.7743 0.9078 0.9078 5.0991 5.0991 5.1033 5.1033 6.0783 6.0783 6.1101 6.1101 6.2595 6.2595 k = 0.0588 0.1019 0.4413 ( 9956 PWs) bands (ev): -15.1191 -15.1191 -15.1189 -15.1189 -12.8577 -12.8577 -12.8566 -12.8566 -12.8401 -12.8401 -12.8390 -12.8390 -8.7300 -8.7300 -8.7279 -8.7279 -4.5242 -4.5242 -4.5099 -4.5099 -3.8640 -3.8640 -3.7229 -3.7229 -3.6032 -3.6032 -3.4475 -3.4475 -0.5999 -0.5999 -0.5170 -0.5170 -0.2206 -0.2206 -0.0941 -0.0941 -0.0350 -0.0350 -0.0075 -0.0075 0.2106 0.2106 0.3785 0.3785 0.5826 0.5826 0.7191 0.7191 0.7773 0.7773 0.9228 0.9228 5.0954 5.0954 5.0993 5.0993 6.0729 6.0729 6.1022 6.1022 6.2523 6.2523 k = 0.0490 0.0849 0.4413 ( 9976 PWs) bands (ev): -15.1208 -15.1208 -15.1207 -15.1207 -12.8547 -12.8547 -12.8535 -12.8535 -12.8383 -12.8383 -12.8371 -12.8371 -8.7351 -8.7351 -8.7329 -8.7329 -4.5255 -4.5255 -4.5113 -4.5113 -3.8689 -3.8689 -3.7269 -3.7269 -3.6051 -3.6051 -3.4482 -3.4482 -0.5930 -0.5930 -0.5120 -0.5120 -0.2083 -0.2083 -0.0838 -0.0838 -0.0310 -0.0310 -0.0121 -0.0121 0.1969 0.1969 0.3606 0.3606 0.5911 0.5911 0.7380 0.7380 0.7801 0.7801 0.9367 0.9367 5.0908 5.0908 5.0947 5.0947 6.0682 6.0682 6.0953 6.0953 6.2471 6.2471 k = 0.0392 0.0679 0.4413 ( 9984 PWs) bands (ev): -15.1222 -15.1222 -15.1221 -15.1221 -12.8523 -12.8523 -12.8511 -12.8511 -12.8366 -12.8366 -12.8354 -12.8354 -8.7393 -8.7393 -8.7371 -8.7371 -4.5266 -4.5266 -4.5125 -4.5125 -3.8730 -3.8730 -3.7304 -3.7304 -3.6065 -3.6065 -3.4488 -3.4488 -0.5870 -0.5870 -0.5078 -0.5078 -0.1983 -0.1983 -0.0744 -0.0744 -0.0299 -0.0299 -0.0139 -0.0139 0.1850 0.1850 0.3441 0.3441 0.5986 0.5986 0.7546 0.7546 0.7826 0.7826 0.9489 0.9489 5.0858 5.0858 5.0900 5.0900 6.0645 6.0645 6.0895 6.0895 6.2437 6.2437 k = 0.0294 0.0509 0.4413 ( 9992 PWs) bands (ev): -15.1234 -15.1234 -15.1232 -15.1232 -12.8505 -12.8505 -12.8493 -12.8493 -12.8352 -12.8352 -12.8340 -12.8340 -8.7426 -8.7426 -8.7404 -8.7404 -4.5274 -4.5274 -4.5133 -4.5133 -3.8763 -3.8763 -3.7334 -3.7334 -3.6075 -3.6075 -3.4493 -3.4493 -0.5822 -0.5822 -0.5045 -0.5045 -0.1907 -0.1907 -0.0657 -0.0657 -0.0319 -0.0319 -0.0131 -0.0131 0.1755 0.1755 0.3298 0.3298 0.6047 0.6047 0.7679 0.7679 0.7849 0.7849 0.9589 0.9589 5.0812 5.0812 5.0857 5.0857 6.0617 6.0617 6.0849 6.0849 6.2418 6.2418 k = 0.0196 0.0340 0.4413 ( 9994 PWs) bands (ev): -15.1242 -15.1242 -15.1241 -15.1241 -12.8493 -12.8493 -12.8481 -12.8481 -12.8341 -12.8341 -12.8329 -12.8329 -8.7450 -8.7450 -8.7428 -8.7428 -4.5280 -4.5280 -4.5140 -4.5140 -3.8787 -3.8787 -3.7355 -3.7355 -3.6081 -3.6081 -3.4496 -3.4496 -0.5786 -0.5786 -0.5021 -0.5021 -0.1855 -0.1855 -0.0579 -0.0579 -0.0347 -0.0347 -0.0122 -0.0122 0.1688 0.1688 0.3187 0.3187 0.6092 0.6092 0.7771 0.7771 0.7874 0.7874 0.9664 0.9664 5.0775 5.0775 5.0822 5.0822 6.0597 6.0597 6.0815 6.0815 6.2412 6.2412 k = 0.0098 0.0170 0.4413 ( 9990 PWs) bands (ev): -15.1247 -15.1247 -15.1245 -15.1245 -12.8486 -12.8486 -12.8473 -12.8473 -12.8334 -12.8334 -12.8322 -12.8322 -8.7464 -8.7464 -8.7443 -8.7443 -4.5284 -4.5284 -4.5144 -4.5144 -3.8801 -3.8801 -3.7369 -3.7369 -3.6085 -3.6085 -3.4498 -3.4498 -0.5764 -0.5764 -0.5007 -0.5007 -0.1825 -0.1825 -0.0520 -0.0520 -0.0368 -0.0368 -0.0122 -0.0122 0.1648 0.1648 0.3116 0.3116 0.6119 0.6119 0.7815 0.7815 0.7902 0.7902 0.9711 0.9711 5.0751 5.0751 5.0800 5.0800 6.0585 6.0585 6.0795 6.0795 6.2416 6.2416 k = 0.0000 0.0000 0.4413 ( 9978 PWs) bands (ev): -15.1249 -15.1249 -15.1247 -15.1247 -12.8483 -12.8483 -12.8471 -12.8471 -12.8332 -12.8332 -12.8319 -12.8319 -8.7469 -8.7469 -8.7448 -8.7448 -4.5285 -4.5285 -4.5145 -4.5145 -3.8806 -3.8806 -3.7373 -3.7373 -3.6086 -3.6086 -3.4498 -3.4498 -0.5757 -0.5757 -0.5002 -0.5002 -0.1815 -0.1815 -0.0497 -0.0497 -0.0377 -0.0377 -0.0124 -0.0124 0.1635 0.1635 0.3092 0.3092 0.6128 0.6128 0.7826 0.7826 0.7915 0.7915 0.9726 0.9726 5.0743 5.0743 5.0792 5.0792 6.0582 6.0582 6.0789 6.0789 6.2422 6.2422 k = 0.5000 0.2887 0.4413 ( 9972 PWs) bands (ev): -15.0639 -15.0639 -15.0638 -15.0638 -12.9733 -12.9733 -12.9732 -12.9732 -12.8730 -12.8730 -12.8729 -12.8729 -8.5751 -8.5751 -8.5745 -8.5745 -4.4657 -4.4657 -4.4637 -4.4637 -3.7187 -3.7187 -3.6954 -3.6954 -3.4437 -3.4437 -3.4101 -3.4101 -0.7584 -0.7584 -0.7351 -0.7351 -0.5473 -0.5473 -0.4960 -0.4960 -0.0957 -0.0957 -0.0921 -0.0921 0.3013 0.3013 0.3462 0.3462 0.5686 0.5686 0.5832 0.5832 0.9476 0.9476 0.9586 0.9586 4.9565 4.9565 4.9572 4.9572 5.9998 5.9998 6.0078 6.0078 6.8153 6.8153 k = 0.5000 0.2887 0.4213 ( 9962 PWs) bands (ev): -15.0657 -15.0656 -15.0621 -15.0620 -12.9759 -12.9759 -12.9707 -12.9706 -12.8758 -12.8757 -12.8701 -12.8700 -8.5791 -8.5785 -8.5711 -8.5705 -4.4694 -4.4675 -4.4620 -4.4600 -3.7245 -3.7131 -3.7024 -3.6885 -3.4469 -3.4405 -3.4123 -3.4080 -0.7606 -0.7560 -0.7374 -0.7325 -0.5525 -0.5423 -0.5023 -0.4896 -0.1089 -0.1033 -0.0844 -0.0823 0.2912 0.3135 0.3381 0.3552 0.5547 0.5655 0.5830 0.6007 0.9451 0.9502 0.9567 0.9608 4.9547 4.9556 4.9576 4.9582 5.9931 6.0008 6.0064 6.0146 6.8073 6.8154 k = 0.5000 0.2887 0.4012 ( 9964 PWs) bands (ev): -15.0675 -15.0674 -15.0603 -15.0602 -12.9785 -12.9784 -12.9680 -12.9680 -12.8787 -12.8786 -12.8673 -12.8672 -8.5831 -8.5825 -8.5671 -8.5666 -4.4730 -4.4711 -4.4583 -4.4562 -3.7304 -3.7095 -3.7075 -3.6819 -3.4498 -3.4372 -3.4144 -3.4059 -0.7626 -0.7534 -0.7393 -0.7296 -0.5579 -0.5377 -0.5087 -0.4832 -0.1238 -0.1157 -0.0750 -0.0739 0.2832 0.3276 0.3308 0.3651 0.5418 0.5478 0.5977 0.6179 0.9428 0.9529 0.9549 0.9630 4.9524 4.9533 4.9581 4.9586 5.9862 5.9936 6.0127 6.0212 6.7987 6.8062 k = 0.5000 0.2887 0.3811 ( 9948 PWs) bands (ev): -15.0693 -15.0692 -15.0585 -15.0585 -12.9810 -12.9809 -12.9654 -12.9653 -12.8815 -12.8813 -12.8645 -12.8644 -8.5870 -8.5865 -8.5632 -8.5626 -4.4765 -4.4748 -4.4546 -4.4524 -3.7363 -3.7167 -3.7022 -3.6756 -3.4526 -3.4338 -3.4165 -3.4038 -0.7643 -0.7507 -0.7409 -0.7264 -0.5634 -0.5334 -0.5149 -0.4770 -0.1402 -0.1293 -0.0676 -0.0670 0.2775 0.3240 0.3434 0.3760 0.5301 0.5305 0.6123 0.6346 0.9407 0.9533 0.9558 0.9654 4.9493 4.9503 4.9582 4.9586 5.9792 5.9864 6.0186 6.0274 6.7898 6.7966 k = 0.5000 0.2887 0.3611 ( 9932 PWs) bands (ev): -15.0710 -15.0710 -15.0568 -15.0568 -12.9835 -12.9834 -12.9628 -12.9627 -12.8842 -12.8841 -12.8617 -12.8616 -8.5910 -8.5904 -8.5593 -8.5588 -4.4799 -4.4783 -4.4509 -4.4487 -3.7423 -3.7240 -3.6970 -3.6696 -3.4552 -3.4303 -3.4186 -3.4017 -0.7658 -0.7477 -0.7421 -0.7229 -0.5689 -0.5296 -0.5209 -0.4710 -0.1578 -0.1437 -0.0621 -0.0615 0.2738 0.3175 0.3603 0.3876 0.5138 0.5203 0.6265 0.6505 0.9388 0.9519 0.9587 0.9678 4.9455 4.9467 4.9578 4.9581 5.9723 5.9792 6.0242 6.0333 6.7805 6.7866 k = 0.5000 0.2887 0.3410 ( 9928 PWs) bands (ev): -15.0728 -15.0727 -15.0552 -15.0551 -12.9858 -12.9858 -12.9602 -12.9601 -12.8868 -12.8867 -12.8589 -12.8588 -8.5948 -8.5943 -8.5556 -8.5551 -4.4833 -4.4817 -4.4472 -4.4450 -3.7482 -3.7312 -3.6920 -3.6640 -3.4576 -3.4269 -3.4206 -3.3997 -0.7671 -0.7445 -0.7429 -0.7193 -0.5743 -0.5269 -0.5262 -0.4653 -0.1764 -0.1588 -0.0583 -0.0572 0.2717 0.3108 0.3780 0.3998 0.4982 0.5126 0.6403 0.6656 0.9372 0.9508 0.9617 0.9703 4.9410 4.9423 4.9570 4.9573 5.9654 5.9722 6.0293 6.0387 6.7709 6.7762 k = 0.5000 0.2887 0.3210 ( 9928 PWs) bands (ev): -15.0745 -15.0744 -15.0536 -15.0535 -12.9881 -12.9881 -12.9577 -12.9576 -12.8894 -12.8893 -12.8562 -12.8562 -8.5985 -8.5980 -8.5519 -8.5514 -4.4865 -4.4850 -4.4436 -4.4414 -3.7541 -3.7384 -3.6872 -3.6588 -3.4597 -3.4235 -3.4226 -3.3977 -0.7681 -0.7434 -0.7411 -0.7154 -0.5797 -0.5326 -0.5235 -0.4600 -0.1957 -0.1744 -0.0560 -0.0542 0.2709 0.3037 0.3960 0.4124 0.4845 0.5074 0.6534 0.6797 0.9357 0.9498 0.9647 0.9727 4.9359 4.9373 4.9559 4.9562 5.9587 5.9653 6.0341 6.0437 6.7610 6.7655 k = 0.5000 0.2887 0.3009 ( 9920 PWs) bands (ev): -15.0762 -15.0761 -15.0520 -15.0520 -12.9903 -12.9903 -12.9552 -12.9551 -12.8919 -12.8918 -12.8536 -12.8536 -8.6022 -8.6017 -8.5484 -8.5479 -4.4895 -4.4881 -4.4401 -4.4379 -3.7598 -3.7454 -3.6827 -3.6541 -3.4614 -3.4246 -3.4201 -3.3959 -0.7688 -0.7436 -0.7375 -0.7114 -0.5848 -0.5382 -0.5213 -0.4552 -0.2152 -0.1901 -0.0548 -0.0522 0.2707 0.2959 0.4134 0.4252 0.4735 0.5050 0.6657 0.6928 0.9345 0.9491 0.9677 0.9752 4.9301 4.9316 4.9545 4.9548 5.9523 5.9586 6.0385 6.0483 6.7510 6.7547 k = 0.5000 0.2887 0.2808 ( 9924 PWs) bands (ev): -15.0778 -15.0777 -15.0505 -15.0505 -12.9924 -12.9923 -12.9528 -12.9527 -12.8943 -12.8942 -12.8511 -12.8511 -8.6057 -8.6052 -8.5450 -8.5445 -4.4925 -4.4912 -4.4367 -4.4345 -3.7655 -3.7523 -3.6783 -3.6498 -3.4629 -3.4265 -3.4168 -3.3941 -0.7693 -0.7435 -0.7336 -0.7073 -0.5896 -0.5437 -0.5197 -0.4510 -0.2347 -0.2059 -0.0547 -0.0510 0.2703 0.2873 0.4278 0.4380 0.4679 0.5053 0.6770 0.7046 0.9336 0.9486 0.9707 0.9776 4.9237 4.9252 4.9530 4.9533 5.9463 5.9523 6.0424 6.0524 6.7408 6.7438 k = 0.5000 0.2887 0.2608 ( 9920 PWs) bands (ev): -15.0793 -15.0793 -15.0491 -15.0491 -12.9944 -12.9943 -12.9505 -12.9504 -12.8966 -12.8964 -12.8488 -12.8487 -8.6090 -8.6086 -8.5418 -8.5413 -4.4952 -4.4940 -4.4334 -4.4313 -3.7709 -3.7589 -3.6742 -3.6460 -3.4640 -3.4285 -3.4136 -3.3924 -0.7695 -0.7432 -0.7296 -0.7032 -0.5942 -0.5490 -0.5187 -0.4475 -0.2538 -0.2214 -0.0551 -0.0506 0.2691 0.2779 0.4351 0.4506 0.4720 0.5081 0.6874 0.7153 0.9329 0.9483 0.9736 0.9799 4.9168 4.9184 4.9513 4.9516 5.9406 5.9464 6.0461 6.0562 6.7307 6.7329 k = 0.5000 0.2887 0.2407 ( 9920 PWs) bands (ev): -15.0808 -15.0807 -15.0478 -15.0478 -12.9962 -12.9962 -12.9483 -12.9482 -12.8987 -12.8986 -12.8465 -12.8464 -8.6122 -8.6118 -8.5387 -8.5383 -4.4978 -4.4967 -4.4302 -4.4282 -3.7762 -3.7653 -3.6703 -3.6428 -3.4647 -3.4303 -3.4105 -3.3908 -0.7694 -0.7427 -0.7253 -0.6990 -0.5983 -0.5542 -0.5182 -0.4449 -0.2721 -0.2364 -0.0561 -0.0507 0.2666 0.2680 0.4365 0.4628 0.4849 0.5130 0.6967 0.7246 0.9324 0.9480 0.9764 0.9822 4.9095 4.9111 4.9496 4.9499 5.9353 5.9409 6.0494 6.0595 6.7207 6.7222 k = 0.5000 0.2887 0.2207 ( 9924 PWs) bands (ev): -15.0821 -15.0821 -15.0466 -15.0465 -12.9979 -12.9979 -12.9463 -12.9462 -12.9007 -12.9005 -12.8443 -12.8443 -8.6152 -8.6148 -8.5359 -8.5355 -4.5002 -4.4992 -4.4272 -4.4253 -3.7812 -3.7714 -3.6666 -3.6401 -3.4651 -3.4322 -3.4075 -3.3894 -0.7690 -0.7421 -0.7207 -0.6948 -0.6021 -0.5595 -0.5183 -0.4434 -0.2893 -0.2509 -0.0573 -0.0512 0.2578 0.2623 0.4376 0.4744 0.5008 0.5198 0.7050 0.7326 0.9321 0.9479 0.9791 0.9843 4.9020 4.9036 4.9478 4.9482 5.9305 5.9358 6.0524 6.0623 6.7108 6.7117 k = 0.5000 0.2887 0.2006 ( 9906 PWs) bands (ev): -15.0834 -15.0834 -15.0454 -15.0454 -12.9995 -12.9995 -12.9444 -12.9443 -12.9025 -12.9023 -12.8423 -12.8423 -8.6180 -8.6176 -8.5332 -8.5329 -4.5024 -4.5015 -4.4244 -4.4225 -3.7858 -3.7772 -3.6632 -3.6379 -3.4652 -3.4341 -3.4046 -3.3881 -0.7683 -0.7415 -0.7159 -0.6907 -0.6054 -0.5647 -0.5189 -0.4432 -0.3049 -0.2645 -0.0585 -0.0520 0.2476 0.2564 0.4406 0.4853 0.5170 0.5279 0.7122 0.7393 0.9321 0.9478 0.9817 0.9863 4.8944 4.8959 4.9461 4.9465 5.9262 5.9311 6.0552 6.0649 6.7013 6.7017 k = 0.5000 0.2887 0.1805 ( 9902 PWs) bands (ev): -15.0846 -15.0846 -15.0443 -15.0443 -13.0010 -13.0009 -12.9426 -12.9425 -12.9041 -12.9040 -12.8405 -12.8405 -8.6205 -8.6202 -8.5308 -8.5304 -4.5044 -4.5036 -4.4218 -4.4200 -3.7902 -3.7825 -3.6599 -3.6362 -3.4649 -3.4359 -3.4019 -3.3870 -0.7673 -0.7410 -0.7109 -0.6865 -0.6084 -0.5699 -0.5197 -0.4447 -0.3185 -0.2772 -0.0598 -0.0530 0.2377 0.2491 0.4458 0.4952 0.5327 0.5370 0.7184 0.7446 0.9323 0.9476 0.9842 0.9883 4.8868 4.8883 4.9445 4.9448 5.9224 5.9270 6.0577 6.0670 6.6921 6.6922 k = 0.5000 0.2887 0.1605 ( 9912 PWs) bands (ev): -15.0857 -15.0857 -15.0434 -15.0434 -13.0023 -13.0022 -12.9410 -12.9409 -12.9056 -12.9055 -12.8388 -12.8388 -8.6229 -8.6226 -8.5286 -8.5283 -4.5062 -4.5055 -4.4194 -4.4178 -3.7941 -3.7874 -3.6569 -3.6350 -3.4643 -3.4377 -3.3993 -3.3860 -0.7661 -0.7407 -0.7057 -0.6824 -0.6111 -0.5753 -0.5206 -0.4479 -0.3296 -0.2889 -0.0609 -0.0541 0.2283 0.2411 0.4527 0.5039 0.5467 0.5474 0.7237 0.7486 0.9326 0.9474 0.9865 0.9900 4.8795 4.8809 4.9429 4.9432 5.9191 5.9232 6.0600 6.0688 6.6832 6.6836 k = 0.5000 0.2887 0.1404 ( 9904 PWs) bands (ev): -15.0867 -15.0867 -15.0425 -15.0425 -13.0034 -13.0034 -12.9397 -12.9395 -12.9069 -12.9068 -12.8373 -12.8373 -8.6250 -8.6247 -8.5266 -8.5263 -4.5078 -4.5072 -4.4172 -4.4157 -3.7977 -3.7919 -3.6540 -3.6343 -3.4635 -3.4396 -3.3969 -3.3853 -0.7646 -0.7406 -0.7002 -0.6782 -0.6136 -0.5807 -0.5214 -0.4529 -0.3382 -0.2995 -0.0618 -0.0552 0.2197 0.2327 0.4609 0.5113 0.5566 0.5608 0.7282 0.7514 0.9332 0.9470 0.9886 0.9916 4.8725 4.8738 4.9414 4.9418 5.9162 5.9200 6.0622 6.0703 6.6750 6.6757 k = 0.5000 0.2887 0.1204 ( 9910 PWs) bands (ev): -15.0876 -15.0875 -15.0418 -15.0418 -13.0045 -13.0044 -12.9384 -12.9383 -12.9080 -12.9079 -12.8360 -12.8360 -8.6268 -8.6266 -8.5248 -8.5246 -4.5092 -4.5087 -4.4152 -4.4140 -3.8008 -3.7959 -3.6513 -3.6339 -3.4624 -3.4414 -3.3947 -3.3847 -0.7628 -0.7409 -0.6946 -0.6741 -0.6159 -0.5862 -0.5219 -0.4595 -0.3442 -0.3090 -0.0625 -0.0564 0.2120 0.2244 0.4699 0.5171 0.5665 0.5727 0.7319 0.7530 0.9339 0.9465 0.9904 0.9930 4.8661 4.8673 4.9401 4.9404 5.9139 5.9171 6.0641 6.0714 6.6677 6.6685 k = 0.5000 0.2887 0.1003 ( 9906 PWs) bands (ev): -15.0883 -15.0883 -15.0411 -15.0411 -13.0053 -13.0053 -12.9374 -12.9373 -12.9089 -12.9089 -12.8349 -12.8348 -8.6284 -8.6282 -8.5234 -8.5232 -4.5104 -4.5099 -4.4135 -4.4125 -3.8034 -3.7994 -3.6488 -3.6340 -3.4610 -3.4432 -3.3927 -3.3843 -0.7609 -0.7415 -0.6889 -0.6701 -0.6180 -0.5919 -0.5217 -0.4672 -0.3480 -0.3175 -0.0630 -0.0575 0.2055 0.2166 0.4791 0.5213 0.5759 0.5829 0.7351 0.7536 0.9348 0.9458 0.9921 0.9942 4.8605 4.8615 4.9389 4.9392 5.9119 5.9147 6.0659 6.0723 6.6613 6.6622 k = 0.5000 0.2887 0.0802 ( 9920 PWs) bands (ev): -15.0889 -15.0889 -15.0406 -15.0406 -13.0060 -13.0060 -12.9366 -12.9365 -12.9097 -12.9096 -12.8339 -12.8339 -8.6296 -8.6295 -8.5221 -8.5220 -4.5113 -4.5110 -4.4121 -4.4113 -3.8055 -3.8023 -3.6464 -3.6344 -3.4596 -3.4451 -3.3909 -3.3842 -0.7588 -0.7426 -0.6831 -0.6664 -0.6200 -0.5976 -0.5207 -0.4755 -0.3499 -0.3249 -0.0632 -0.0586 0.2002 0.2096 0.4882 0.5238 0.5845 0.5913 0.7378 0.7534 0.9358 0.9450 0.9935 0.9952 4.8556 4.8564 4.9380 4.9382 5.9104 5.9127 6.0676 6.0728 6.6560 6.6569 k = 0.5000 0.2887 0.0602 ( 9918 PWs) bands (ev): -15.0894 -15.0894 -15.0402 -15.0402 -13.0066 -13.0066 -12.9359 -12.9359 -12.9103 -12.9102 -12.8332 -12.8332 -8.6307 -8.6305 -8.5212 -8.5210 -4.5121 -4.5118 -4.4110 -4.4103 -3.8071 -3.8047 -3.6443 -3.6351 -3.4579 -3.4470 -3.3892 -3.3842 -0.7566 -0.7440 -0.6775 -0.6635 -0.6214 -0.6032 -0.5187 -0.4838 -0.3503 -0.3313 -0.0632 -0.0596 0.1963 0.2036 0.4968 0.5246 0.5920 0.5977 0.7403 0.7524 0.9368 0.9440 0.9947 0.9960 4.8518 4.8524 4.9372 4.9374 5.9094 5.9111 6.0690 6.0731 6.6519 6.6526 k = 0.5000 0.2887 0.0401 ( 9930 PWs) bands (ev): -15.0897 -15.0897 -15.0399 -15.0399 -13.0070 -13.0070 -12.9355 -12.9354 -12.9107 -12.9106 -12.8327 -12.8327 -8.6314 -8.6313 -8.5205 -8.5204 -4.5126 -4.5124 -4.4101 -4.4097 -3.8081 -3.8066 -3.6423 -3.6361 -3.4562 -3.4489 -3.3879 -3.3845 -0.7543 -0.7457 -0.6723 -0.6618 -0.6217 -0.6087 -0.5155 -0.4919 -0.3495 -0.3367 -0.0630 -0.0605 0.1938 0.1988 0.5046 0.5236 0.5979 0.6021 0.7425 0.7508 0.9380 0.9429 0.9956 0.9965 4.8490 4.8494 4.9367 4.9368 5.9087 5.9098 6.0703 6.0730 6.6489 6.6494 k = 0.5000 0.2887 0.0201 ( 9912 PWs) bands (ev): -15.0899 -15.0899 -15.0397 -15.0397 -13.0072 -13.0072 -12.9352 -12.9352 -12.9109 -12.9109 -12.8324 -12.8324 -8.6318 -8.6318 -8.5200 -8.5200 -4.5129 -4.5128 -4.4096 -4.4094 -3.8086 -3.8078 -3.6404 -3.6373 -3.4544 -3.4507 -3.3867 -3.3850 -0.7520 -0.7476 -0.6676 -0.6620 -0.6206 -0.6136 -0.5112 -0.4993 -0.3476 -0.3412 -0.0626 -0.0613 0.1928 0.1954 0.5114 0.5211 0.6021 0.6042 0.7447 0.7490 0.9392 0.9417 0.9963 0.9967 4.8473 4.8476 4.9364 4.9365 5.9084 5.9090 6.0713 6.0727 6.6472 6.6474 k = 0.5000 0.2887-0.0000 ( 9910 PWs) bands (ev): -15.0900 -15.0900 -15.0397 -15.0397 -13.0073 -13.0073 -12.9351 -12.9351 -12.9110 -12.9110 -12.8323 -12.8323 -8.6319 -8.6319 -8.5199 -8.5199 -4.5129 -4.5129 -4.4093 -4.4093 -3.8085 -3.8085 -3.6388 -3.6388 -3.4526 -3.4526 -3.3857 -3.3857 -0.7498 -0.7498 -0.6641 -0.6641 -0.6178 -0.6178 -0.5057 -0.5057 -0.3448 -0.3448 -0.0620 -0.0620 0.1934 0.1934 0.5169 0.5169 0.6042 0.6042 0.7469 0.7469 0.9405 0.9405 0.9966 0.9966 4.8469 4.8469 4.9363 4.9363 5.9086 5.9086 6.0722 6.0722 6.6467 6.6467 k = 0.3333 0.5774-0.0000 ( 9948 PWs) bands (ev): -15.0573 -15.0573 -15.0572 -15.0571 -13.0258 -13.0258 -12.9068 -12.9068 -12.8984 -12.8984 -12.8969 -12.8969 -8.5542 -8.5520 -8.5520 -8.5513 -4.4578 -4.4373 -4.4373 -4.4152 -3.8105 -3.8105 -3.5702 -3.5702 -3.5290 -3.5290 -3.4241 -3.3876 -0.8538 -0.8538 -0.8190 -0.6872 -0.6384 -0.6384 -0.5036 -0.5036 -0.1500 -0.1036 -0.1036 0.0269 0.0269 0.0408 0.5301 0.5399 0.5399 0.7309 0.7436 0.7436 0.9915 1.0129 1.0129 1.0460 4.6733 4.6733 4.6851 4.6978 6.1287 6.1287 6.4650 6.4650 6.4996 6.4996 k = 0.3333 0.5774 0.0201 ( 9930 PWs) bands (ev): -15.0573 -15.0573 -15.0572 -15.0571 -13.0256 -13.0256 -12.9069 -12.9069 -12.8985 -12.8983 -12.8970 -12.8968 -8.5543 -8.5524 -8.5516 -8.5513 -4.4578 -4.4384 -4.4363 -4.4153 -3.8105 -3.8101 -3.5706 -3.5702 -3.5294 -3.5286 -3.4240 -3.3876 -0.8566 -0.8503 -0.8187 -0.6872 -0.6412 -0.6358 -0.5098 -0.4980 -0.1497 -0.1098 -0.0963 0.0236 0.0314 0.0411 0.5291 0.5362 0.5425 0.7306 0.7315 0.7542 0.9915 1.0128 1.0129 1.0458 4.6695 4.6782 4.6842 4.6998 6.1279 6.1303 6.4640 6.4657 6.4996 6.4999 k = 0.3333 0.5774 0.0401 ( 9930 PWs) bands (ev): -15.0573 -15.0572 -15.0572 -15.0571 -13.0252 -13.0252 -12.9074 -12.9074 -12.8986 -12.8983 -12.8971 -12.8968 -8.5544 -8.5528 -8.5511 -8.5511 -4.4578 -4.4395 -4.4352 -4.4154 -3.8101 -3.8092 -3.5714 -3.5707 -3.5297 -3.5281 -3.4237 -3.3876 -0.8588 -0.8462 -0.8178 -0.6871 -0.6441 -0.6331 -0.5163 -0.4931 -0.1488 -0.1147 -0.0883 0.0216 0.0370 0.0421 0.5259 0.5316 0.5440 0.7179 0.7298 0.7630 0.9913 1.0126 1.0127 1.0453 4.6667 4.6827 4.6840 4.7045 6.1280 6.1328 6.4626 6.4660 6.4998 6.5004 k = 0.3333 0.5774 0.0602 ( 9930 PWs) bands (ev): -15.0573 -15.0572 -15.0572 -15.0570 -13.0244 -13.0244 -12.9082 -12.9082 -12.8988 -12.8983 -12.8973 -12.8968 -8.5546 -8.5532 -8.5508 -8.5507 -4.4577 -4.4406 -4.4343 -4.4156 -3.8093 -3.8079 -3.5726 -3.5716 -3.5298 -3.5275 -3.4232 -3.3875 -0.8604 -0.8416 -0.8164 -0.6870 -0.6471 -0.6306 -0.5229 -0.4893 -0.1473 -0.1181 -0.0800 0.0212 0.0436 0.0437 0.5209 0.5259 0.5445 0.7030 0.7284 0.7700 0.9911 1.0123 1.0125 1.0446 4.6650 4.6817 4.6906 4.7108 6.1289 6.1361 6.4608 6.4660 6.5003 6.5011 k = 0.3333 0.5774 0.0802 ( 9933 PWs) bands (ev): -15.0573 -15.0572 -15.0571 -15.0570 -13.0234 -13.0234 -12.9092 -12.9092 -12.8990 -12.8983 -12.8975 -12.8968 -8.5547 -8.5535 -8.5505 -8.5502 -4.4576 -4.4417 -4.4334 -4.4160 -3.8080 -3.8062 -3.5743 -3.5729 -3.5299 -3.5270 -3.4226 -3.3875 -0.8613 -0.8363 -0.8143 -0.6869 -0.6505 -0.6281 -0.5294 -0.4867 -0.1453 -0.1196 -0.0716 0.0226 0.0459 0.0510 0.5142 0.5191 0.5440 0.6871 0.7264 0.7751 0.9907 1.0118 1.0121 1.0435 4.6646 4.6818 4.6978 4.7181 6.1308 6.1402 6.4587 6.4656 6.5009 6.5019 k = 0.3333 0.5774 0.1003 ( 9948 PWs) bands (ev): -15.0572 -15.0571 -15.0570 -15.0569 -13.0221 -13.0221 -12.9106 -12.9106 -12.8992 -12.8984 -12.8977 -12.8969 -8.5549 -8.5537 -8.5501 -8.5498 -4.4574 -4.4427 -4.4327 -4.4164 -3.8064 -3.8041 -3.5764 -3.5747 -3.5299 -3.5263 -3.4217 -3.3874 -0.8616 -0.8305 -0.8117 -0.6868 -0.6543 -0.6257 -0.5355 -0.4854 -0.1427 -0.1191 -0.0636 0.0259 0.0485 0.0592 0.5061 0.5114 0.5424 0.6704 0.7235 0.7783 0.9904 1.0113 1.0117 1.0420 4.6653 4.6829 4.7056 4.7260 6.1335 6.1451 6.4562 6.4647 6.5018 6.5029 k = 0.3333 0.5774 0.1204 ( 9939 PWs) bands (ev): -15.0572 -15.0571 -15.0570 -15.0568 -13.0205 -13.0205 -12.9123 -12.9123 -12.8994 -12.8985 -12.8979 -12.8970 -8.5550 -8.5539 -8.5498 -8.5494 -4.4572 -4.4436 -4.4320 -4.4170 -3.8043 -3.8017 -3.5789 -3.5768 -3.5297 -3.5257 -3.4207 -3.3874 -0.8614 -0.8241 -0.8085 -0.6867 -0.6586 -0.6233 -0.5411 -0.4855 -0.1395 -0.1166 -0.0562 0.0315 0.0515 0.0681 0.4970 0.5026 0.5399 0.6531 0.7198 0.7794 0.9900 1.0106 1.0112 1.0403 4.6671 4.6852 4.7137 4.7345 6.1373 6.1509 6.4532 6.4634 6.5029 6.5040 k = 0.3333 0.5774 0.1404 ( 9942 PWs) bands (ev): -15.0571 -15.0570 -15.0569 -15.0568 -13.0186 -13.0186 -12.9142 -12.9142 -12.8996 -12.8986 -12.8981 -12.8971 -8.5551 -8.5541 -8.5495 -8.5490 -4.4569 -4.4444 -4.4315 -4.4176 -3.8019 -3.7988 -3.5818 -3.5793 -3.5294 -3.5250 -3.4195 -3.3874 -0.8605 -0.8173 -0.8048 -0.6867 -0.6634 -0.6212 -0.5461 -0.4870 -0.1358 -0.1119 -0.0496 0.0393 0.0547 0.0774 0.4874 0.4929 0.5364 0.6354 0.7150 0.7786 0.9896 1.0098 1.0105 1.0382 4.6701 4.6887 4.7220 4.7431 6.1420 6.1575 6.4498 6.4617 6.5041 6.5051 k = 0.3333 0.5774 0.1605 ( 9930 PWs) bands (ev): -15.0570 -15.0569 -15.0568 -15.0567 -13.0165 -13.0165 -12.9164 -12.9164 -12.8999 -12.8988 -12.8984 -12.8973 -8.5551 -8.5541 -8.5492 -8.5487 -4.4565 -4.4451 -4.4312 -4.4184 -3.7991 -3.7957 -3.5851 -3.5821 -3.5291 -3.5243 -3.4182 -3.3874 -0.8590 -0.8099 -0.8006 -0.6868 -0.6689 -0.6192 -0.5502 -0.4898 -0.1315 -0.1052 -0.0438 0.0492 0.0577 0.0870 0.4776 0.4822 0.5320 0.6177 0.7092 0.7758 0.9892 1.0090 1.0098 1.0359 4.6741 4.6932 4.7303 4.7519 6.1478 6.1650 6.4460 6.4593 6.5054 6.5063 k = 0.3333 0.5774 0.1805 ( 9906 PWs) bands (ev): -15.0570 -15.0569 -15.0567 -15.0566 -13.0141 -13.0141 -12.9189 -12.9189 -12.9001 -12.8990 -12.8986 -12.8975 -8.5551 -8.5541 -8.5489 -8.5484 -4.4560 -4.4456 -4.4310 -4.4193 -3.7960 -3.7923 -3.5886 -3.5853 -3.5286 -3.5236 -3.4168 -3.3874 -0.8569 -0.8022 -0.7960 -0.6870 -0.6750 -0.6175 -0.5535 -0.4939 -0.1267 -0.0966 -0.0386 0.0605 0.0610 0.0967 0.4681 0.4706 0.5268 0.6002 0.7022 0.7712 0.9888 1.0081 1.0091 1.0333 4.6791 4.6987 4.7384 4.7605 6.1546 6.1733 6.4415 6.4564 6.5068 6.5075 k = 0.3333 0.5774 0.2006 ( 9912 PWs) bands (ev): -15.0569 -15.0568 -15.0566 -15.0565 -13.0115 -13.0115 -12.9216 -12.9216 -12.9004 -12.8992 -12.8989 -12.8977 -8.5550 -8.5541 -8.5487 -8.5481 -4.4555 -4.4461 -4.4310 -4.4203 -3.7926 -3.7887 -3.5924 -3.5888 -3.5280 -3.5230 -3.4152 -3.3875 -0.8543 -0.7940 -0.7910 -0.6875 -0.6817 -0.6162 -0.5559 -0.4989 -0.1213 -0.0861 -0.0339 0.0627 0.0744 0.1064 0.4581 0.4596 0.5207 0.5834 0.6941 0.7647 0.9885 1.0071 1.0082 1.0305 4.6849 4.7051 4.7461 4.7688 6.1624 6.1824 6.4365 6.4528 6.5083 6.5086 k = 0.3333 0.5774 0.2207 ( 9924 PWs) bands (ev): -15.0568 -15.0567 -15.0565 -15.0564 -13.0087 -13.0087 -12.9246 -12.9246 -12.9006 -12.8994 -12.8991 -12.8979 -8.5548 -8.5540 -8.5485 -8.5479 -4.4548 -4.4463 -4.4311 -4.4215 -3.7890 -3.7848 -3.5965 -3.5925 -3.5273 -3.5223 -3.4136 -3.3876 -0.8512 -0.7856 -0.7855 -0.6890 -0.6882 -0.6154 -0.5575 -0.5046 -0.1154 -0.0742 -0.0292 0.0640 0.0890 0.1156 0.4448 0.4524 0.5136 0.5679 0.6847 0.7564 0.9883 1.0061 1.0073 1.0275 4.6915 4.7123 4.7534 4.7765 6.1711 6.1924 6.4309 6.4485 6.5097 6.5098 k = 0.3333 0.5774 0.2407 ( 9909 PWs) bands (ev): -15.0567 -15.0566 -15.0564 -15.0563 -13.0056 -13.0056 -12.9277 -12.9277 -12.9008 -12.8996 -12.8993 -12.8982 -8.5546 -8.5538 -8.5484 -8.5478 -4.4540 -4.4464 -4.4314 -4.4227 -3.7852 -3.7809 -3.6006 -3.5965 -3.5266 -3.5217 -3.4119 -3.3878 -0.8475 -0.7799 -0.7767 -0.6966 -0.6891 -0.6152 -0.5584 -0.5108 -0.1089 -0.0611 -0.0246 0.0640 0.1046 0.1243 0.4309 0.4470 0.5053 0.5544 0.6741 0.7466 0.9882 1.0051 1.0064 1.0244 4.6986 4.7200 4.7599 4.7836 6.1808 6.2030 6.4245 6.4434 6.5110 6.5112 k = 0.3333 0.5774 0.2608 ( 9927 PWs) bands (ev): -15.0566 -15.0565 -15.0564 -15.0562 -13.0024 -13.0024 -12.9311 -12.9311 -12.9010 -12.8999 -12.8995 -12.8984 -8.5544 -8.5535 -8.5484 -8.5478 -4.4530 -4.4464 -4.4318 -4.4241 -3.7812 -3.7769 -3.6048 -3.6005 -3.5259 -3.5212 -3.4101 -3.3881 -0.8433 -0.7740 -0.7678 -0.7045 -0.6904 -0.6159 -0.5587 -0.5172 -0.1019 -0.0472 -0.0197 0.0626 0.1207 0.1322 0.4164 0.4439 0.4952 0.5439 0.6624 0.7352 0.9883 1.0041 1.0055 1.0213 4.7062 4.7283 4.7657 4.7899 6.1913 6.2144 6.4175 6.4374 6.5121 6.5126 k = 0.3333 0.5774 0.2808 ( 9927 PWs) bands (ev): -15.0565 -15.0564 -15.0563 -15.0562 -12.9989 -12.9989 -12.9346 -12.9346 -12.9012 -12.9001 -12.8997 -12.8986 -8.5541 -8.5532 -8.5484 -8.5478 -4.4520 -4.4462 -4.4324 -4.4256 -3.7772 -3.7729 -3.6090 -3.6047 -3.5251 -3.5207 -3.4084 -3.3884 -0.8387 -0.7678 -0.7589 -0.7123 -0.6920 -0.6176 -0.5585 -0.5233 -0.0943 -0.0329 -0.0147 0.0595 0.1371 0.1392 0.4017 0.4434 0.4828 0.5373 0.6496 0.7225 0.9885 1.0032 1.0045 1.0181 4.7141 4.7368 4.7706 4.7953 6.2026 6.2263 6.4098 6.4306 6.5132 6.5139 k = 0.3333 0.5774 0.3009 ( 9939 PWs) bands (ev): -15.0564 -15.0563 -15.0562 -15.0561 -12.9953 -12.9953 -12.9383 -12.9383 -12.9014 -12.9004 -12.8999 -12.8989 -8.5537 -8.5529 -8.5485 -8.5478 -4.4508 -4.4459 -4.4331 -4.4272 -3.7732 -3.7690 -3.6130 -3.6088 -3.5243 -3.5203 -3.4066 -3.3889 -0.8335 -0.7616 -0.7509 -0.7193 -0.6939 -0.6205 -0.5579 -0.5290 -0.0860 -0.0187 -0.0093 0.0546 0.1454 0.1534 0.3870 0.4455 0.4686 0.5347 0.6357 0.7087 0.9888 1.0024 1.0036 1.0149 4.7221 4.7454 4.7744 4.7996 6.2146 6.2387 6.4014 6.4230 6.5143 6.5151 k = 0.3333 0.5774 0.3210 ( 9939 PWs) bands (ev): -15.0563 -15.0562 -15.0561 -15.0560 -12.9916 -12.9916 -12.9421 -12.9421 -12.9015 -12.9006 -12.9000 -12.8991 -8.5533 -8.5525 -8.5487 -8.5480 -4.4495 -4.4454 -4.4339 -4.4289 -3.7693 -3.7653 -3.6168 -3.6128 -3.5236 -3.5199 -3.4048 -3.3894 -0.8280 -0.7553 -0.7460 -0.7230 -0.6963 -0.6246 -0.5571 -0.5340 -0.0772 -0.0053 -0.0037 0.0481 0.1511 0.1690 0.3729 0.4504 0.4531 0.5356 0.6209 0.6938 0.9893 1.0016 1.0028 1.0118 4.7302 4.7541 4.7772 4.8027 6.2272 6.2515 6.3924 6.4145 6.5153 6.5162 k = 0.3333 0.5774 0.3410 ( 9927 PWs) bands (ev): -15.0563 -15.0562 -15.0561 -15.0560 -12.9877 -12.9877 -12.9461 -12.9461 -12.9016 -12.9008 -12.9001 -12.8993 -8.5529 -8.5521 -8.5489 -8.5482 -4.4481 -4.4448 -4.4348 -4.4306 -3.7657 -3.7620 -3.6203 -3.6166 -3.5228 -3.5197 -3.4030 -3.3901 -0.8220 -0.7489 -0.7479 -0.7197 -0.6992 -0.6301 -0.5560 -0.5382 -0.0678 0.0022 0.0068 0.0401 0.1567 0.1832 0.3601 0.4367 0.4578 0.5398 0.6054 0.6781 0.9900 1.0009 1.0020 1.0089 4.7380 4.7625 4.7788 4.8047 6.2401 6.2643 6.3829 6.4052 6.5162 6.5171 k = 0.3333 0.5774 0.3611 ( 9948 PWs) bands (ev): -15.0562 -15.0561 -15.0561 -15.0559 -12.9837 -12.9837 -12.9502 -12.9501 -12.9017 -12.9010 -12.9002 -12.8996 -8.5525 -8.5517 -8.5491 -8.5484 -4.4466 -4.4440 -4.4358 -4.4324 -3.7623 -3.7591 -3.6233 -3.6201 -3.5221 -3.5196 -3.4013 -3.3909 -0.8155 -0.7544 -0.7427 -0.7117 -0.7024 -0.6368 -0.5549 -0.5416 -0.0578 0.0081 0.0166 0.0308 0.1628 0.1949 0.3500 0.4200 0.4675 0.5469 0.5892 0.6619 0.9909 1.0004 1.0013 1.0061 4.7456 4.7705 4.7793 4.8054 6.2532 6.2767 6.3732 6.3953 6.5170 6.5178 k = 0.3333 0.5774 0.3811 ( 9948 PWs) bands (ev): -15.0561 -15.0560 -15.0560 -15.0559 -12.9796 -12.9796 -12.9543 -12.9543 -12.9017 -12.9012 -12.9002 -12.8997 -8.5520 -8.5512 -8.5494 -8.5487 -4.4450 -4.4432 -4.4369 -4.4342 -3.7594 -3.7569 -3.6257 -3.6231 -3.5215 -3.5195 -3.3997 -3.3918 -0.8087 -0.7622 -0.7366 -0.7061 -0.7023 -0.6446 -0.5537 -0.5443 -0.0473 0.0139 0.0205 0.0237 0.1699 0.2027 0.3439 0.4033 0.4792 0.5565 0.5727 0.6453 0.9921 1.0000 1.0007 1.0034 4.7527 4.7781 4.7786 4.8048 6.2662 6.2882 6.3639 6.3849 6.5177 6.5184 k = 0.3333 0.5774 0.4012 ( 9954 PWs) bands (ev): -15.0561 -15.0560 -15.0560 -15.0559 -12.9754 -12.9754 -12.9585 -12.9585 -12.9017 -12.9014 -12.9002 -12.8999 -8.5515 -8.5508 -8.5498 -8.5491 -4.4433 -4.4422 -4.4379 -4.4361 -3.7570 -3.7553 -3.6273 -3.6255 -3.5209 -3.5196 -3.3981 -3.3928 -0.8016 -0.7703 -0.7307 -0.7103 -0.6923 -0.6532 -0.5524 -0.5465 -0.0363 0.0095 0.0194 0.0277 0.1782 0.2052 0.3433 0.3871 0.4926 0.5560 0.5682 0.6287 0.9934 0.9998 1.0002 1.0010 4.7592 4.7767 4.7849 4.8031 6.2787 6.2973 6.3564 6.3743 6.5183 6.5188 k = 0.3333 0.5774 0.4213 ( 9948 PWs) bands (ev): -15.0561 -15.0560 -15.0559 -15.0559 -12.9713 -12.9713 -12.9627 -12.9627 -12.9017 -12.9015 -12.9002 -12.9000 -8.5511 -8.5503 -8.5502 -8.5495 -4.4416 -4.4412 -4.4390 -4.4379 -3.7554 -3.7545 -3.6281 -3.6272 -3.5204 -3.5198 -3.3966 -3.3940 -0.7941 -0.7784 -0.7251 -0.7148 -0.6823 -0.6625 -0.5511 -0.5482 -0.0250 -0.0019 0.0240 0.0288 0.1872 0.2025 0.3485 0.3718 0.5073 0.5393 0.5817 0.6123 0.9950 0.9987 0.9996 0.9999 4.7649 4.7738 4.7910 4.8001 6.2899 6.3014 6.3532 6.3643 6.5187 6.5189 k = 0.3333 0.5774 0.4413 ( 9954 PWs) bands (ev): -15.0560 -15.0560 -15.0559 -15.0559 -12.9676 -12.9676 -12.9664 -12.9664 -12.9016 -12.9016 -12.9001 -12.9001 -8.5506 -8.5506 -8.5499 -8.5499 -4.4401 -4.4401 -4.4398 -4.4398 -3.7545 -3.7545 -3.6281 -3.6281 -3.5201 -3.5201 -3.3953 -3.3953 -0.7864 -0.7864 -0.7198 -0.7198 -0.6723 -0.6723 -0.5498 -0.5498 -0.0135 -0.0135 0.0273 0.0273 0.1958 0.1958 0.3585 0.3585 0.5230 0.5230 0.5965 0.5965 0.9967 0.9967 0.9997 0.9997 4.7698 4.7698 4.7961 4.7961 6.2984 6.2984 6.3564 6.3564 6.5189 6.5189 Writing output data file HCBr3.save init_run : 0.62s CPU 0.41s WALL ( 1 calls) electrons : 306.35s CPU 233.28s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.18s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 306.34s CPU 233.27s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.33s CPU 0.36s WALL ( 235 calls) cegterg : 260.43s CPU 204.98s WALL ( 243 calls) Called by sum_band: Called by *egterg: h_psi : 187.40s CPU 128.18s WALL ( 4839 calls) s_psi : 3.53s CPU 2.56s WALL ( 4839 calls) g_psi : 0.25s CPU 0.21s WALL ( 4361 calls) cdiaghg : 80.09s CPU 72.16s WALL ( 4596 calls) cegterg:over : 11.00s CPU 9.29s WALL ( 4361 calls) cegterg:upda : 8.40s CPU 7.04s WALL ( 4361 calls) cegterg:last : 3.29s CPU 3.33s WALL ( 713 calls) cdiaghg:chol : 3.22s CPU 3.10s WALL ( 4596 calls) cdiaghg:inve : 1.86s CPU 1.82s WALL ( 4596 calls) cdiaghg:para : 4.36s CPU 3.93s WALL ( 9192 calls) Called by h_psi: h_psi:vloc : 176.24s CPU 119.96s WALL ( 4839 calls) h_psi:vnl : 10.89s CPU 7.98s WALL ( 4839 calls) add_vuspsi : 4.84s CPU 3.44s WALL ( 4839 calls) General routines calbec : 6.04s CPU 4.52s WALL ( 4839 calls) fft : 0.10s CPU 0.06s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 168.80s CPU 114.52s WALL ( 599196 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.30s CPU 0.92s WALL ( 470 calls) Parallel routines fft_scatter : 92.33s CPU 68.96s WALL ( 599219 calls) PWSCF : 5m39.68s CPU 4m38.10s WALL This run was terminated on: 22:23:47 21Mar2017 =------------------------------------------------------------------------------= JOB DONE. 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