Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:23:26 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Rb2PtC2.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 85 32 9 3719 854 137 Max 86 33 11 3723 876 139 Sum 3067 1159 349 133967 31187 4941 bravais-lattice index = 14 lattice parameter (alat) = 10.1456 a.u. unit-cell volume = 880.0885 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.145561 celldm(2)= 1.000000 celldm(3)= 0.973122 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.973122 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.027620 ) PseudoPot. # 1 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 Pt 10.00 195.08400 Pt( 1.00) Rb 9.00 85.46780 Rb( 1.00) C 4.00 12.01070 C( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 290 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0147059 0.0084904 -0.0000000), wk = 0.0034483 k( 3) = ( 0.0294118 0.0169809 -0.0000000), wk = 0.0034483 k( 4) = ( 0.0441177 0.0254713 -0.0000000), wk = 0.0034483 k( 5) = ( 0.0588235 0.0339618 -0.0000000), wk = 0.0034483 k( 6) = ( 0.0735294 0.0424522 -0.0000000), wk = 0.0034483 k( 7) = ( 0.0882353 0.0509427 -0.0000000), wk = 0.0034483 k( 8) = ( 0.1029412 0.0594331 -0.0000000), wk = 0.0034483 k( 9) = ( 0.1176471 0.0679236 -0.0000000), wk = 0.0034483 k( 10) = ( 0.1323529 0.0764140 -0.0000000), wk = 0.0034483 k( 11) = ( 0.1470588 0.0849044 -0.0000000), wk = 0.0034483 k( 12) = ( 0.1617647 0.0933949 -0.0000000), wk = 0.0034483 k( 13) = ( 0.1764706 0.1018853 -0.0000000), wk = 0.0034483 k( 14) = ( 0.1911765 0.1103758 -0.0000000), wk = 0.0034483 k( 15) = ( 0.2058823 0.1188662 -0.0000000), wk = 0.0034483 k( 16) = ( 0.2205882 0.1273567 -0.0000000), wk = 0.0034483 k( 17) = ( 0.2352941 0.1358471 -0.0000000), wk = 0.0034483 k( 18) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0034483 k( 19) = ( 0.2647059 0.1528280 -0.0000000), wk = 0.0034483 k( 20) = ( 0.2794118 0.1613185 -0.0000000), wk = 0.0034483 k( 21) = ( 0.2941177 0.1698089 -0.0000000), wk = 0.0034483 k( 22) = ( 0.3088235 0.1782993 -0.0000000), wk = 0.0034483 k( 23) = ( 0.3235294 0.1867898 -0.0000000), wk = 0.0034483 k( 24) = ( 0.3382353 0.1952802 -0.0000000), wk = 0.0034483 k( 25) = ( 0.3529412 0.2037707 -0.0000000), wk = 0.0034483 k( 26) = ( 0.3676471 0.2122611 -0.0000000), wk = 0.0034483 k( 27) = ( 0.3823529 0.2207516 -0.0000000), wk = 0.0034483 k( 28) = ( 0.3970588 0.2292420 -0.0000000), wk = 0.0034483 k( 29) = ( 0.4117647 0.2377325 -0.0000000), wk = 0.0034483 k( 30) = ( 0.4264706 0.2462229 -0.0000000), wk = 0.0034483 k( 31) = ( 0.4411765 0.2547134 -0.0000000), wk = 0.0034483 k( 32) = ( 0.4558823 0.2632038 -0.0000000), wk = 0.0034483 k( 33) = ( 0.4705882 0.2716942 -0.0000000), wk = 0.0034483 k( 34) = ( 0.4852941 0.2801847 -0.0000000), wk = 0.0034483 k( 35) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034483 k( 36) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034483 k( 37) = ( 0.4916667 0.3031089 -0.0000000), wk = 0.0034483 k( 38) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0034483 k( 39) = ( 0.4750000 0.3319764 -0.0000000), wk = 0.0034483 k( 40) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0034483 k( 41) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0034483 k( 42) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0034483 k( 43) = ( 0.4416667 0.3897114 -0.0000000), wk = 0.0034483 k( 44) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0034483 k( 45) = ( 0.4250000 0.4185789 -0.0000000), wk = 0.0034483 k( 46) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0034483 k( 47) = ( 0.4083333 0.4474465 -0.0000000), wk = 0.0034483 k( 48) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0034483 k( 49) = ( 0.3916667 0.4763140 -0.0000000), wk = 0.0034483 k( 50) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0034483 k( 51) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0034483 k( 52) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0034483 k( 53) = ( 0.3583333 0.5340490 -0.0000000), wk = 0.0034483 k( 54) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0034483 k( 55) = ( 0.3416667 0.5629165 -0.0000000), wk = 0.0034483 k( 56) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034483 k( 57) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034483 k( 58) = ( 0.3250000 0.5629165 -0.0000000), wk = 0.0034483 k( 59) = ( 0.3166667 0.5484828 -0.0000000), wk = 0.0034483 k( 60) = ( 0.3083333 0.5340490 -0.0000000), wk = 0.0034483 k( 61) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0034483 k( 62) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0034483 k( 63) = ( 0.2833333 0.4907477 -0.0000000), wk = 0.0034483 k( 64) = ( 0.2750000 0.4763140 -0.0000000), wk = 0.0034483 k( 65) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0034483 k( 66) = ( 0.2583333 0.4474465 -0.0000000), wk = 0.0034483 k( 67) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0034483 k( 68) = ( 0.2416667 0.4185790 -0.0000000), wk = 0.0034483 k( 69) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0034483 k( 70) = ( 0.2250000 0.3897114 -0.0000000), wk = 0.0034483 k( 71) = ( 0.2166667 0.3752777 -0.0000000), wk = 0.0034483 k( 72) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0034483 k( 73) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0034483 k( 74) = ( 0.1916667 0.3319764 -0.0000000), wk = 0.0034483 k( 75) = ( 0.1833333 0.3175426 -0.0000000), wk = 0.0034483 k( 76) = ( 0.1750000 0.3031089 -0.0000000), wk = 0.0034483 k( 77) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0034483 k( 78) = ( 0.1583333 0.2742414 -0.0000000), wk = 0.0034483 k( 79) = ( 0.1500000 0.2598076 -0.0000000), wk = 0.0034483 k( 80) = ( 0.1416667 0.2453739 -0.0000000), wk = 0.0034483 k( 81) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0034483 k( 82) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0034483 k( 83) = ( 0.1166667 0.2020726 -0.0000000), wk = 0.0034483 k( 84) = ( 0.1083333 0.1876388 -0.0000000), wk = 0.0034483 k( 85) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0034483 k( 86) = ( 0.0916667 0.1587713 -0.0000000), wk = 0.0034483 k( 87) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0034483 k( 88) = ( 0.0750000 0.1299038 -0.0000000), wk = 0.0034483 k( 89) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0034483 k( 90) = ( 0.0583333 0.1010363 -0.0000000), wk = 0.0034483 k( 91) = ( 0.0500000 0.0866025 -0.0000000), wk = 0.0034483 k( 92) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0034483 k( 93) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0034483 k( 94) = ( 0.0250000 0.0433013 -0.0000000), wk = 0.0034483 k( 95) = ( 0.0166667 0.0288675 -0.0000000), wk = 0.0034483 k( 96) = ( 0.0083333 0.0144338 -0.0000000), wk = 0.0034483 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 99) = ( 0.0000000 0.0000000 0.0165745), wk = 0.0034483 k( 100) = ( 0.0000000 0.0000000 0.0331490), wk = 0.0034483 k( 101) = ( 0.0000000 0.0000000 0.0497235), wk = 0.0034483 k( 102) = ( 0.0000000 0.0000000 0.0662981), wk = 0.0034483 k( 103) = ( 0.0000000 0.0000000 0.0828726), wk = 0.0034483 k( 104) = ( 0.0000000 0.0000000 0.0994471), wk = 0.0034483 k( 105) = ( 0.0000000 0.0000000 0.1160216), wk = 0.0034483 k( 106) = ( 0.0000000 0.0000000 0.1325961), wk = 0.0034483 k( 107) = ( 0.0000000 0.0000000 0.1491706), wk = 0.0034483 k( 108) = ( 0.0000000 0.0000000 0.1657451), wk = 0.0034483 k( 109) = ( 0.0000000 0.0000000 0.1823196), wk = 0.0034483 k( 110) = ( 0.0000000 0.0000000 0.1988942), wk = 0.0034483 k( 111) = ( 0.0000000 0.0000000 0.2154687), wk = 0.0034483 k( 112) = ( 0.0000000 0.0000000 0.2320432), wk = 0.0034483 k( 113) = ( 0.0000000 0.0000000 0.2486177), wk = 0.0034483 k( 114) = ( 0.0000000 0.0000000 0.2651922), wk = 0.0034483 k( 115) = ( 0.0000000 0.0000000 0.2817667), wk = 0.0034483 k( 116) = ( 0.0000000 0.0000000 0.2983413), wk = 0.0034483 k( 117) = ( 0.0000000 0.0000000 0.3149158), wk = 0.0034483 k( 118) = ( 0.0000000 0.0000000 0.3314903), wk = 0.0034483 k( 119) = ( 0.0000000 0.0000000 0.3480648), wk = 0.0034483 k( 120) = ( 0.0000000 0.0000000 0.3646393), wk = 0.0034483 k( 121) = ( 0.0000000 0.0000000 0.3812138), wk = 0.0034483 k( 122) = ( 0.0000000 0.0000000 0.3977883), wk = 0.0034483 k( 123) = ( 0.0000000 0.0000000 0.4143629), wk = 0.0034483 k( 124) = ( 0.0000000 0.0000000 0.4309374), wk = 0.0034483 k( 125) = ( 0.0000000 0.0000000 0.4475119), wk = 0.0034483 k( 126) = ( 0.0000000 0.0000000 0.4640864), wk = 0.0034483 k( 127) = ( 0.0000000 0.0000000 0.4806609), wk = 0.0034483 k( 128) = ( 0.0000000 0.0000000 0.4972354), wk = 0.0034483 k( 129) = ( 0.0000000 0.0000000 0.5138099), wk = 0.0034483 k( 130) = ( 0.0000000 0.0000000 0.5138099), wk = 0.0034483 k( 131) = ( 0.0147059 0.0084904 0.5138099), wk = 0.0034483 k( 132) = ( 0.0294118 0.0169809 0.5138099), wk = 0.0034483 k( 133) = ( 0.0441177 0.0254713 0.5138099), wk = 0.0034483 k( 134) = ( 0.0588235 0.0339618 0.5138099), wk = 0.0034483 k( 135) = ( 0.0735294 0.0424522 0.5138099), wk = 0.0034483 k( 136) = ( 0.0882353 0.0509427 0.5138099), wk = 0.0034483 k( 137) = ( 0.1029412 0.0594331 0.5138099), wk = 0.0034483 k( 138) = ( 0.1176471 0.0679236 0.5138099), wk = 0.0034483 k( 139) = ( 0.1323529 0.0764140 0.5138099), wk = 0.0034483 k( 140) = ( 0.1470588 0.0849044 0.5138099), wk = 0.0034483 k( 141) = ( 0.1617647 0.0933949 0.5138099), wk = 0.0034483 k( 142) = ( 0.1764706 0.1018853 0.5138099), wk = 0.0034483 k( 143) = ( 0.1911765 0.1103758 0.5138099), wk = 0.0034483 k( 144) = ( 0.2058823 0.1188662 0.5138099), wk = 0.0034483 k( 145) = ( 0.2205882 0.1273567 0.5138099), wk = 0.0034483 k( 146) = ( 0.2352941 0.1358471 0.5138099), wk = 0.0034483 k( 147) = ( 0.2500000 0.1443376 0.5138099), wk = 0.0034483 k( 148) = ( 0.2647059 0.1528280 0.5138099), wk = 0.0034483 k( 149) = ( 0.2794118 0.1613185 0.5138099), wk = 0.0034483 k( 150) = ( 0.2941177 0.1698089 0.5138099), wk = 0.0034483 k( 151) = ( 0.3088235 0.1782993 0.5138099), wk = 0.0034483 k( 152) = ( 0.3235294 0.1867898 0.5138099), wk = 0.0034483 k( 153) = ( 0.3382353 0.1952802 0.5138099), wk = 0.0034483 k( 154) = ( 0.3529412 0.2037707 0.5138099), wk = 0.0034483 k( 155) = ( 0.3676471 0.2122611 0.5138099), wk = 0.0034483 k( 156) = ( 0.3823529 0.2207516 0.5138099), wk = 0.0034483 k( 157) = ( 0.3970588 0.2292420 0.5138099), wk = 0.0034483 k( 158) = ( 0.4117647 0.2377325 0.5138099), wk = 0.0034483 k( 159) = ( 0.4264706 0.2462229 0.5138099), wk = 0.0034483 k( 160) = ( 0.4411765 0.2547134 0.5138099), wk = 0.0034483 k( 161) = ( 0.4558823 0.2632038 0.5138099), wk = 0.0034483 k( 162) = ( 0.4705882 0.2716942 0.5138099), wk = 0.0034483 k( 163) = ( 0.4852941 0.2801847 0.5138099), wk = 0.0034483 k( 164) = ( 0.5000000 0.2886751 0.5138099), wk = 0.0034483 k( 165) = ( 0.5000000 0.2886751 0.5138099), wk = 0.0034483 k( 166) = ( 0.4916667 0.3031089 0.5138099), wk = 0.0034483 k( 167) = ( 0.4833333 0.3175426 0.5138099), wk = 0.0034483 k( 168) = ( 0.4750000 0.3319764 0.5138099), wk = 0.0034483 k( 169) = ( 0.4666667 0.3464102 0.5138099), wk = 0.0034483 k( 170) = ( 0.4583333 0.3608439 0.5138099), wk = 0.0034483 k( 171) = ( 0.4500000 0.3752777 0.5138099), wk = 0.0034483 k( 172) = ( 0.4416667 0.3897114 0.5138099), wk = 0.0034483 k( 173) = ( 0.4333333 0.4041452 0.5138099), wk = 0.0034483 k( 174) = ( 0.4250000 0.4185789 0.5138099), wk = 0.0034483 k( 175) = ( 0.4166667 0.4330127 0.5138099), wk = 0.0034483 k( 176) = ( 0.4083333 0.4474465 0.5138099), wk = 0.0034483 k( 177) = ( 0.4000000 0.4618802 0.5138099), wk = 0.0034483 k( 178) = ( 0.3916667 0.4763140 0.5138099), wk = 0.0034483 k( 179) = ( 0.3833333 0.4907477 0.5138099), wk = 0.0034483 k( 180) = ( 0.3750000 0.5051815 0.5138099), wk = 0.0034483 k( 181) = ( 0.3666667 0.5196152 0.5138099), wk = 0.0034483 k( 182) = ( 0.3583333 0.5340490 0.5138099), wk = 0.0034483 k( 183) = ( 0.3500000 0.5484828 0.5138099), wk = 0.0034483 k( 184) = ( 0.3416667 0.5629165 0.5138099), wk = 0.0034483 k( 185) = ( 0.3333333 0.5773503 0.5138099), wk = 0.0034483 k( 186) = ( 0.3333333 0.5773503 0.5138099), wk = 0.0034483 k( 187) = ( 0.3250000 0.5629165 0.5138099), wk = 0.0034483 k( 188) = ( 0.3166667 0.5484828 0.5138099), wk = 0.0034483 k( 189) = ( 0.3083333 0.5340490 0.5138099), wk = 0.0034483 k( 190) = ( 0.3000000 0.5196152 0.5138099), wk = 0.0034483 k( 191) = ( 0.2916667 0.5051815 0.5138099), wk = 0.0034483 k( 192) = ( 0.2833333 0.4907477 0.5138099), wk = 0.0034483 k( 193) = ( 0.2750000 0.4763140 0.5138099), wk = 0.0034483 k( 194) = ( 0.2666667 0.4618802 0.5138099), wk = 0.0034483 k( 195) = ( 0.2583333 0.4474465 0.5138099), wk = 0.0034483 k( 196) = ( 0.2500000 0.4330127 0.5138099), wk = 0.0034483 k( 197) = ( 0.2416667 0.4185790 0.5138099), wk = 0.0034483 k( 198) = ( 0.2333333 0.4041452 0.5138099), wk = 0.0034483 k( 199) = ( 0.2250000 0.3897114 0.5138099), wk = 0.0034483 k( 200) = ( 0.2166667 0.3752777 0.5138099), wk = 0.0034483 k( 201) = ( 0.2083333 0.3608439 0.5138099), wk = 0.0034483 k( 202) = ( 0.2000000 0.3464102 0.5138099), wk = 0.0034483 k( 203) = ( 0.1916667 0.3319764 0.5138099), wk = 0.0034483 k( 204) = ( 0.1833333 0.3175426 0.5138099), wk = 0.0034483 k( 205) = ( 0.1750000 0.3031089 0.5138099), wk = 0.0034483 k( 206) = ( 0.1666667 0.2886751 0.5138099), wk = 0.0034483 k( 207) = ( 0.1583333 0.2742414 0.5138099), wk = 0.0034483 k( 208) = ( 0.1500000 0.2598076 0.5138099), wk = 0.0034483 k( 209) = ( 0.1416667 0.2453739 0.5138099), wk = 0.0034483 k( 210) = ( 0.1333333 0.2309401 0.5138099), wk = 0.0034483 k( 211) = ( 0.1250000 0.2165064 0.5138099), wk = 0.0034483 k( 212) = ( 0.1166667 0.2020726 0.5138099), wk = 0.0034483 k( 213) = ( 0.1083333 0.1876388 0.5138099), wk = 0.0034483 k( 214) = ( 0.1000000 0.1732051 0.5138099), wk = 0.0034483 k( 215) = ( 0.0916667 0.1587713 0.5138099), wk = 0.0034483 k( 216) = ( 0.0833333 0.1443376 0.5138099), wk = 0.0034483 k( 217) = ( 0.0750000 0.1299038 0.5138099), wk = 0.0034483 k( 218) = ( 0.0666667 0.1154701 0.5138099), wk = 0.0034483 k( 219) = ( 0.0583333 0.1010363 0.5138099), wk = 0.0034483 k( 220) = ( 0.0500000 0.0866025 0.5138099), wk = 0.0034483 k( 221) = ( 0.0416667 0.0721688 0.5138099), wk = 0.0034483 k( 222) = ( 0.0333333 0.0577350 0.5138099), wk = 0.0034483 k( 223) = ( 0.0250000 0.0433013 0.5138099), wk = 0.0034483 k( 224) = ( 0.0166667 0.0288675 0.5138099), wk = 0.0034483 k( 225) = ( 0.0083333 0.0144338 0.5138099), wk = 0.0034483 k( 226) = ( 0.0000000 0.0000000 0.5138099), wk = 0.0034483 k( 227) = ( 0.5000000 0.2886751 0.5138099), wk = 0.0034483 k( 228) = ( 0.5000000 0.2886751 0.4972354), wk = 0.0034483 k( 229) = ( 0.5000000 0.2886751 0.4806609), wk = 0.0034483 k( 230) = ( 0.5000000 0.2886751 0.4640864), wk = 0.0034483 k( 231) = ( 0.5000000 0.2886751 0.4475119), wk = 0.0034483 k( 232) = ( 0.5000000 0.2886751 0.4309374), wk = 0.0034483 k( 233) = ( 0.5000000 0.2886751 0.4143629), wk = 0.0034483 k( 234) = ( 0.5000000 0.2886751 0.3977883), wk = 0.0034483 k( 235) = ( 0.5000000 0.2886751 0.3812138), wk = 0.0034483 k( 236) = ( 0.5000000 0.2886751 0.3646393), wk = 0.0034483 k( 237) = ( 0.5000000 0.2886751 0.3480648), wk = 0.0034483 k( 238) = ( 0.5000000 0.2886751 0.3314903), wk = 0.0034483 k( 239) = ( 0.5000000 0.2886751 0.3149158), wk = 0.0034483 k( 240) = ( 0.5000000 0.2886751 0.2983413), wk = 0.0034483 k( 241) = ( 0.5000000 0.2886751 0.2817667), wk = 0.0034483 k( 242) = ( 0.5000000 0.2886751 0.2651922), wk = 0.0034483 k( 243) = ( 0.5000000 0.2886751 0.2486177), wk = 0.0034483 k( 244) = ( 0.5000000 0.2886751 0.2320432), wk = 0.0034483 k( 245) = ( 0.5000000 0.2886751 0.2154687), wk = 0.0034483 k( 246) = ( 0.5000000 0.2886751 0.1988942), wk = 0.0034483 k( 247) = ( 0.5000000 0.2886751 0.1823196), wk = 0.0034483 k( 248) = ( 0.5000000 0.2886751 0.1657451), wk = 0.0034483 k( 249) = ( 0.5000000 0.2886751 0.1491706), wk = 0.0034483 k( 250) = ( 0.5000000 0.2886751 0.1325961), wk = 0.0034483 k( 251) = ( 0.5000000 0.2886751 0.1160216), wk = 0.0034483 k( 252) = ( 0.5000000 0.2886751 0.0994471), wk = 0.0034483 k( 253) = ( 0.5000000 0.2886751 0.0828726), wk = 0.0034483 k( 254) = ( 0.5000000 0.2886751 0.0662981), wk = 0.0034483 k( 255) = ( 0.5000000 0.2886751 0.0497235), wk = 0.0034483 k( 256) = ( 0.5000000 0.2886751 0.0331490), wk = 0.0034483 k( 257) = ( 0.5000000 0.2886751 0.0165745), wk = 0.0034483 k( 258) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034483 k( 259) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034483 k( 260) = ( 0.3333333 0.5773503 0.0165745), wk = 0.0034483 k( 261) = ( 0.3333333 0.5773503 0.0331490), wk = 0.0034483 k( 262) = ( 0.3333333 0.5773503 0.0497235), wk = 0.0034483 k( 263) = ( 0.3333333 0.5773503 0.0662981), wk = 0.0034483 k( 264) = ( 0.3333333 0.5773503 0.0828726), wk = 0.0034483 k( 265) = ( 0.3333333 0.5773503 0.0994471), wk = 0.0034483 k( 266) = ( 0.3333333 0.5773503 0.1160216), wk = 0.0034483 k( 267) = ( 0.3333333 0.5773503 0.1325961), wk = 0.0034483 k( 268) = ( 0.3333333 0.5773503 0.1491706), wk = 0.0034483 k( 269) = ( 0.3333333 0.5773503 0.1657451), wk = 0.0034483 k( 270) = ( 0.3333333 0.5773503 0.1823196), wk = 0.0034483 k( 271) = ( 0.3333333 0.5773503 0.1988942), wk = 0.0034483 k( 272) = ( 0.3333333 0.5773503 0.2154687), wk = 0.0034483 k( 273) = ( 0.3333333 0.5773503 0.2320432), wk = 0.0034483 k( 274) = ( 0.3333333 0.5773503 0.2486177), wk = 0.0034483 k( 275) = ( 0.3333333 0.5773503 0.2651922), wk = 0.0034483 k( 276) = ( 0.3333333 0.5773503 0.2817667), wk = 0.0034483 k( 277) = ( 0.3333333 0.5773503 0.2983413), wk = 0.0034483 k( 278) = ( 0.3333333 0.5773503 0.3149158), wk = 0.0034483 k( 279) = ( 0.3333333 0.5773503 0.3314903), wk = 0.0034483 k( 280) = ( 0.3333333 0.5773503 0.3480648), wk = 0.0034483 k( 281) = ( 0.3333333 0.5773503 0.3646393), wk = 0.0034483 k( 282) = ( 0.3333333 0.5773503 0.3812138), wk = 0.0034483 k( 283) = ( 0.3333333 0.5773503 0.3977883), wk = 0.0034483 k( 284) = ( 0.3333333 0.5773503 0.4143629), wk = 0.0034483 k( 285) = ( 0.3333333 0.5773503 0.4309374), wk = 0.0034483 k( 286) = ( 0.3333333 0.5773503 0.4475119), wk = 0.0034483 k( 287) = ( 0.3333333 0.5773503 0.4640864), wk = 0.0034483 k( 288) = ( 0.3333333 0.5773503 0.4806609), wk = 0.0034483 k( 289) = ( 0.3333333 0.5773503 0.4972354), wk = 0.0034483 k( 290) = ( 0.3333333 0.5773503 0.5138099), wk = 0.0034483 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0147059 -0.0000000 -0.0000000), wk = 0.0034483 k( 3) = ( 0.0294118 -0.0000000 -0.0000000), wk = 0.0034483 k( 4) = ( 0.0441177 -0.0000000 0.0000000), wk = 0.0034483 k( 5) = ( 0.0588235 -0.0000000 -0.0000000), wk = 0.0034483 k( 6) = ( 0.0735294 -0.0000000 -0.0000000), wk = 0.0034483 k( 7) = ( 0.0882353 -0.0000000 -0.0000000), wk = 0.0034483 k( 8) = ( 0.1029412 -0.0000000 -0.0000000), wk = 0.0034483 k( 9) = ( 0.1176471 -0.0000000 -0.0000000), wk = 0.0034483 k( 10) = ( 0.1323529 -0.0000000 -0.0000000), wk = 0.0034483 k( 11) = ( 0.1470588 -0.0000000 -0.0000000), wk = 0.0034483 k( 12) = ( 0.1617647 0.0000000 -0.0000000), wk = 0.0034483 k( 13) = ( 0.1764706 -0.0000000 0.0000000), wk = 0.0034483 k( 14) = ( 0.1911765 -0.0000000 0.0000000), wk = 0.0034483 k( 15) = ( 0.2058823 -0.0000000 -0.0000000), wk = 0.0034483 k( 16) = ( 0.2205882 -0.0000000 0.0000000), wk = 0.0034483 k( 17) = ( 0.2352941 -0.0000000 -0.0000000), wk = 0.0034483 k( 18) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0034483 k( 19) = ( 0.2647059 -0.0000000 -0.0000000), wk = 0.0034483 k( 20) = ( 0.2794118 -0.0000000 -0.0000000), wk = 0.0034483 k( 21) = ( 0.2941177 -0.0000000 -0.0000000), wk = 0.0034483 k( 22) = ( 0.3088235 -0.0000000 -0.0000000), wk = 0.0034483 k( 23) = ( 0.3235294 -0.0000000 -0.0000000), wk = 0.0034483 k( 24) = ( 0.3382353 -0.0000000 0.0000000), wk = 0.0034483 k( 25) = ( 0.3529412 -0.0000000 0.0000000), wk = 0.0034483 k( 26) = ( 0.3676471 -0.0000000 0.0000000), wk = 0.0034483 k( 27) = ( 0.3823529 -0.0000000 0.0000000), wk = 0.0034483 k( 28) = ( 0.3970588 -0.0000000 -0.0000000), wk = 0.0034483 k( 29) = ( 0.4117647 0.0000000 0.0000000), wk = 0.0034483 k( 30) = ( 0.4264706 -0.0000000 -0.0000000), wk = 0.0034483 k( 31) = ( 0.4411765 -0.0000000 -0.0000000), wk = 0.0034483 k( 32) = ( 0.4558823 -0.0000000 -0.0000000), wk = 0.0034483 k( 33) = ( 0.4705882 -0.0000000 -0.0000000), wk = 0.0034483 k( 34) = ( 0.4852941 -0.0000000 -0.0000000), wk = 0.0034483 k( 35) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034483 k( 36) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034483 k( 37) = ( 0.4916667 0.0166667 -0.0000000), wk = 0.0034483 k( 38) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0034483 k( 39) = ( 0.4750000 0.0500000 -0.0000000), wk = 0.0034483 k( 40) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0034483 k( 41) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0034483 k( 42) = ( 0.4500000 0.1000000 -0.0000000), wk = 0.0034483 k( 43) = ( 0.4416667 0.1166667 0.0000000), wk = 0.0034483 k( 44) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0034483 k( 45) = ( 0.4250000 0.1500000 0.0000000), wk = 0.0034483 k( 46) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0034483 k( 47) = ( 0.4083333 0.1833333 -0.0000000), wk = 0.0034483 k( 48) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0034483 k( 49) = ( 0.3916667 0.2166667 -0.0000000), wk = 0.0034483 k( 50) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0034483 k( 51) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0034483 k( 52) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0034483 k( 53) = ( 0.3583333 0.2833333 0.0000000), wk = 0.0034483 k( 54) = ( 0.3500000 0.3000000 -0.0000000), wk = 0.0034483 k( 55) = ( 0.3416667 0.3166667 -0.0000000), wk = 0.0034483 k( 56) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034483 k( 57) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034483 k( 58) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0034483 k( 59) = ( 0.3166667 0.3166667 0.0000000), wk = 0.0034483 k( 60) = ( 0.3083333 0.3083333 -0.0000000), wk = 0.0034483 k( 61) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0034483 k( 62) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0034483 k( 63) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0034483 k( 64) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0034483 k( 65) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0034483 k( 66) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0034483 k( 67) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0034483 k( 68) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0034483 k( 69) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0034483 k( 70) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0034483 k( 71) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0034483 k( 72) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0034483 k( 73) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0034483 k( 74) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0034483 k( 75) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0034483 k( 76) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0034483 k( 77) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0034483 k( 78) = ( 0.1583333 0.1583333 -0.0000000), wk = 0.0034483 k( 79) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0034483 k( 80) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0034483 k( 81) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0034483 k( 82) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0034483 k( 83) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0034483 k( 84) = ( 0.1083333 0.1083333 -0.0000000), wk = 0.0034483 k( 85) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0034483 k( 86) = ( 0.0916667 0.0916667 0.0000000), wk = 0.0034483 k( 87) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0034483 k( 88) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0034483 k( 89) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0034483 k( 90) = ( 0.0583333 0.0583333 0.0000000), wk = 0.0034483 k( 91) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0034483 k( 92) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0034483 k( 93) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0034483 k( 94) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0034483 k( 95) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0034483 k( 96) = ( 0.0083333 0.0083333 -0.0000000), wk = 0.0034483 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 99) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0034483 k( 100) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0034483 k( 101) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0034483 k( 102) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0034483 k( 103) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0034483 k( 104) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0034483 k( 105) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0034483 k( 106) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0034483 k( 107) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0034483 k( 108) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0034483 k( 109) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0034483 k( 110) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0034483 k( 111) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0034483 k( 112) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0034483 k( 113) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0034483 k( 114) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0034483 k( 115) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0034483 k( 116) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0034483 k( 117) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0034483 k( 118) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0034483 k( 119) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0034483 k( 120) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0034483 k( 121) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0034483 k( 122) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0034483 k( 123) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0034483 k( 124) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0034483 k( 125) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0034483 k( 126) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0034483 k( 127) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0034483 k( 128) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0034483 k( 129) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 130) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 131) = ( 0.0147059 -0.0000000 0.5000000), wk = 0.0034483 k( 132) = ( 0.0294118 -0.0000000 0.5000000), wk = 0.0034483 k( 133) = ( 0.0441177 -0.0000000 0.5000000), wk = 0.0034483 k( 134) = ( 0.0588235 -0.0000000 0.5000000), wk = 0.0034483 k( 135) = ( 0.0735294 -0.0000000 0.5000000), wk = 0.0034483 k( 136) = ( 0.0882353 -0.0000000 0.5000000), wk = 0.0034483 k( 137) = ( 0.1029412 -0.0000000 0.5000000), wk = 0.0034483 k( 138) = ( 0.1176471 -0.0000000 0.5000000), wk = 0.0034483 k( 139) = ( 0.1323529 -0.0000000 0.5000000), wk = 0.0034483 k( 140) = ( 0.1470588 -0.0000000 0.5000000), wk = 0.0034483 k( 141) = ( 0.1617647 0.0000000 0.5000000), wk = 0.0034483 k( 142) = ( 0.1764706 -0.0000000 0.5000000), wk = 0.0034483 k( 143) = ( 0.1911765 -0.0000000 0.5000000), wk = 0.0034483 k( 144) = ( 0.2058823 -0.0000000 0.5000000), wk = 0.0034483 k( 145) = ( 0.2205882 -0.0000000 0.5000000), wk = 0.0034483 k( 146) = ( 0.2352941 -0.0000000 0.5000000), wk = 0.0034483 k( 147) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0034483 k( 148) = ( 0.2647059 -0.0000000 0.5000000), wk = 0.0034483 k( 149) = ( 0.2794118 -0.0000000 0.5000000), wk = 0.0034483 k( 150) = ( 0.2941177 -0.0000000 0.5000000), wk = 0.0034483 k( 151) = ( 0.3088235 -0.0000000 0.5000000), wk = 0.0034483 k( 152) = ( 0.3235294 -0.0000000 0.5000000), wk = 0.0034483 k( 153) = ( 0.3382353 -0.0000000 0.5000000), wk = 0.0034483 k( 154) = ( 0.3529412 -0.0000000 0.5000000), wk = 0.0034483 k( 155) = ( 0.3676471 -0.0000000 0.5000000), wk = 0.0034483 k( 156) = ( 0.3823529 -0.0000000 0.5000000), wk = 0.0034483 k( 157) = ( 0.3970588 -0.0000000 0.5000000), wk = 0.0034483 k( 158) = ( 0.4117647 0.0000000 0.5000000), wk = 0.0034483 k( 159) = ( 0.4264706 -0.0000000 0.5000000), wk = 0.0034483 k( 160) = ( 0.4411765 -0.0000000 0.5000000), wk = 0.0034483 k( 161) = ( 0.4558823 -0.0000000 0.5000000), wk = 0.0034483 k( 162) = ( 0.4705882 -0.0000000 0.5000000), wk = 0.0034483 k( 163) = ( 0.4852941 -0.0000000 0.5000000), wk = 0.0034483 k( 164) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034483 k( 165) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034483 k( 166) = ( 0.4916667 0.0166667 0.5000000), wk = 0.0034483 k( 167) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0034483 k( 168) = ( 0.4750000 0.0500000 0.5000000), wk = 0.0034483 k( 169) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0034483 k( 170) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0034483 k( 171) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0034483 k( 172) = ( 0.4416667 0.1166667 0.5000000), wk = 0.0034483 k( 173) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0034483 k( 174) = ( 0.4250000 0.1500000 0.5000000), wk = 0.0034483 k( 175) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0034483 k( 176) = ( 0.4083333 0.1833333 0.5000000), wk = 0.0034483 k( 177) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0034483 k( 178) = ( 0.3916667 0.2166667 0.5000000), wk = 0.0034483 k( 179) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0034483 k( 180) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0034483 k( 181) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0034483 k( 182) = ( 0.3583333 0.2833333 0.5000000), wk = 0.0034483 k( 183) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0034483 k( 184) = ( 0.3416667 0.3166667 0.5000000), wk = 0.0034483 k( 185) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034483 k( 186) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034483 k( 187) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0034483 k( 188) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0034483 k( 189) = ( 0.3083333 0.3083333 0.5000000), wk = 0.0034483 k( 190) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0034483 k( 191) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0034483 k( 192) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0034483 k( 193) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0034483 k( 194) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0034483 k( 195) = ( 0.2583333 0.2583333 0.5000000), wk = 0.0034483 k( 196) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0034483 k( 197) = ( 0.2416667 0.2416667 0.5000000), wk = 0.0034483 k( 198) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0034483 k( 199) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0034483 k( 200) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0034483 k( 201) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0034483 k( 202) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0034483 k( 203) = ( 0.1916667 0.1916667 0.5000000), wk = 0.0034483 k( 204) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0034483 k( 205) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0034483 k( 206) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0034483 k( 207) = ( 0.1583333 0.1583333 0.5000000), wk = 0.0034483 k( 208) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0034483 k( 209) = ( 0.1416667 0.1416667 0.5000000), wk = 0.0034483 k( 210) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0034483 k( 211) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0034483 k( 212) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0034483 k( 213) = ( 0.1083333 0.1083333 0.5000000), wk = 0.0034483 k( 214) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0034483 k( 215) = ( 0.0916667 0.0916667 0.5000000), wk = 0.0034483 k( 216) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0034483 k( 217) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0034483 k( 218) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0034483 k( 219) = ( 0.0583333 0.0583333 0.5000000), wk = 0.0034483 k( 220) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0034483 k( 221) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0034483 k( 222) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0034483 k( 223) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0034483 k( 224) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0034483 k( 225) = ( 0.0083333 0.0083333 0.5000000), wk = 0.0034483 k( 226) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 227) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034483 k( 228) = ( 0.5000000 -0.0000000 0.4838710), wk = 0.0034483 k( 229) = ( 0.5000000 -0.0000000 0.4677419), wk = 0.0034483 k( 230) = ( 0.5000000 -0.0000000 0.4516129), wk = 0.0034483 k( 231) = ( 0.5000000 -0.0000000 0.4354839), wk = 0.0034483 k( 232) = ( 0.5000000 -0.0000000 0.4193548), wk = 0.0034483 k( 233) = ( 0.5000000 -0.0000000 0.4032258), wk = 0.0034483 k( 234) = ( 0.5000000 -0.0000000 0.3870968), wk = 0.0034483 k( 235) = ( 0.5000000 -0.0000000 0.3709677), wk = 0.0034483 k( 236) = ( 0.5000000 -0.0000000 0.3548387), wk = 0.0034483 k( 237) = ( 0.5000000 -0.0000000 0.3387097), wk = 0.0034483 k( 238) = ( 0.5000000 -0.0000000 0.3225807), wk = 0.0034483 k( 239) = ( 0.5000000 -0.0000000 0.3064516), wk = 0.0034483 k( 240) = ( 0.5000000 -0.0000000 0.2903226), wk = 0.0034483 k( 241) = ( 0.5000000 -0.0000000 0.2741936), wk = 0.0034483 k( 242) = ( 0.5000000 -0.0000000 0.2580645), wk = 0.0034483 k( 243) = ( 0.5000000 -0.0000000 0.2419355), wk = 0.0034483 k( 244) = ( 0.5000000 -0.0000000 0.2258064), wk = 0.0034483 k( 245) = ( 0.5000000 -0.0000000 0.2096774), wk = 0.0034483 k( 246) = ( 0.5000000 -0.0000000 0.1935484), wk = 0.0034483 k( 247) = ( 0.5000000 -0.0000000 0.1774193), wk = 0.0034483 k( 248) = ( 0.5000000 -0.0000000 0.1612903), wk = 0.0034483 k( 249) = ( 0.5000000 -0.0000000 0.1451613), wk = 0.0034483 k( 250) = ( 0.5000000 -0.0000000 0.1290323), wk = 0.0034483 k( 251) = ( 0.5000000 -0.0000000 0.1129032), wk = 0.0034483 k( 252) = ( 0.5000000 -0.0000000 0.0967742), wk = 0.0034483 k( 253) = ( 0.5000000 -0.0000000 0.0806452), wk = 0.0034483 k( 254) = ( 0.5000000 -0.0000000 0.0645161), wk = 0.0034483 k( 255) = ( 0.5000000 -0.0000000 0.0483871), wk = 0.0034483 k( 256) = ( 0.5000000 -0.0000000 0.0322581), wk = 0.0034483 k( 257) = ( 0.5000000 -0.0000000 0.0161290), wk = 0.0034483 k( 258) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034483 k( 259) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034483 k( 260) = ( 0.3333333 0.3333333 0.0161290), wk = 0.0034483 k( 261) = ( 0.3333333 0.3333333 0.0322581), wk = 0.0034483 k( 262) = ( 0.3333333 0.3333333 0.0483871), wk = 0.0034483 k( 263) = ( 0.3333333 0.3333333 0.0645161), wk = 0.0034483 k( 264) = ( 0.3333333 0.3333333 0.0806452), wk = 0.0034483 k( 265) = ( 0.3333333 0.3333333 0.0967742), wk = 0.0034483 k( 266) = ( 0.3333333 0.3333333 0.1129032), wk = 0.0034483 k( 267) = ( 0.3333333 0.3333333 0.1290323), wk = 0.0034483 k( 268) = ( 0.3333333 0.3333333 0.1451613), wk = 0.0034483 k( 269) = ( 0.3333333 0.3333333 0.1612903), wk = 0.0034483 k( 270) = ( 0.3333333 0.3333333 0.1774193), wk = 0.0034483 k( 271) = ( 0.3333333 0.3333333 0.1935484), wk = 0.0034483 k( 272) = ( 0.3333333 0.3333333 0.2096774), wk = 0.0034483 k( 273) = ( 0.3333333 0.3333333 0.2258064), wk = 0.0034483 k( 274) = ( 0.3333333 0.3333333 0.2419355), wk = 0.0034483 k( 275) = ( 0.3333333 0.3333333 0.2580645), wk = 0.0034483 k( 276) = ( 0.3333333 0.3333333 0.2741936), wk = 0.0034483 k( 277) = ( 0.3333333 0.3333333 0.2903226), wk = 0.0034483 k( 278) = ( 0.3333333 0.3333333 0.3064516), wk = 0.0034483 k( 279) = ( 0.3333333 0.3333333 0.3225807), wk = 0.0034483 k( 280) = ( 0.3333333 0.3333333 0.3387097), wk = 0.0034483 k( 281) = ( 0.3333333 0.3333333 0.3548387), wk = 0.0034483 k( 282) = ( 0.3333333 0.3333333 0.3709677), wk = 0.0034483 k( 283) = ( 0.3333333 0.3333333 0.3870968), wk = 0.0034483 k( 284) = ( 0.3333333 0.3333333 0.4032258), wk = 0.0034483 k( 285) = ( 0.3333333 0.3333333 0.4193548), wk = 0.0034483 k( 286) = ( 0.3333333 0.3333333 0.4354839), wk = 0.0034483 k( 287) = ( 0.3333333 0.3333333 0.4516129), wk = 0.0034483 k( 288) = ( 0.3333333 0.3333333 0.4677419), wk = 0.0034483 k( 289) = ( 0.3333333 0.3333333 0.4838710), wk = 0.0034483 k( 290) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034483 Dense grid: 133967 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 31187 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 228, 44) NL pseudopotentials 0.23 Mb ( 114, 130) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 3723) G-vector shells 0.01 Mb ( 1779) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.61 Mb ( 228, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.17 Mb ( 130, 2, 44) The potential is recalculated from file : ./Rb2PtC2.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 5.0 secs Computing kpt #: 4 total cpu time spent up to now is 5.6 secs Computing kpt #: 5 total cpu time spent up to now is 6.1 secs Computing kpt #: 6 total cpu time spent up to now is 6.7 secs Computing kpt #: 7 total cpu time spent up to now is 7.3 secs Computing kpt #: 8 total cpu time spent up to now is 7.9 secs Computing kpt #: 9 total cpu time spent up to now is 8.4 secs Computing kpt #: 10 total cpu time spent up to now is 9.0 secs Computing kpt #: 11 total cpu time spent up to now is 9.6 secs Computing kpt #: 12 total cpu time spent up to now is 10.1 secs Computing kpt #: 13 total cpu time spent up to now is 10.6 secs Computing kpt #: 14 total cpu time spent up to now is 11.2 secs Computing kpt #: 15 total cpu time spent up to now is 11.8 secs Computing kpt #: 16 total cpu time spent up to now is 12.4 secs Computing kpt #: 17 total cpu time spent up to now is 12.9 secs Computing kpt #: 18 total cpu time spent up to now is 13.5 secs Computing kpt #: 19 total cpu time spent up to now is 14.1 secs Computing kpt #: 20 total cpu time spent up to now is 14.6 secs Computing kpt #: 21 total cpu time spent up to now is 15.2 secs Computing kpt #: 22 total cpu time spent up to now is 15.8 secs Computing kpt #: 23 total cpu time spent up to now is 16.3 secs Computing kpt #: 24 total cpu time spent up to now is 16.9 secs Computing kpt #: 25 total cpu time spent up to now is 17.5 secs Computing kpt #: 26 total cpu time spent up to now is 18.1 secs Computing kpt #: 27 total cpu time spent up to now is 18.6 secs Computing kpt #: 28 total cpu time spent up to now is 19.1 secs Computing kpt #: 29 total cpu time spent up to now is 19.6 secs Computing kpt #: 30 total cpu time spent up to now is 20.2 secs Computing kpt #: 31 total cpu time spent up to now is 20.7 secs Computing kpt #: 32 total cpu time spent up to now is 21.2 secs Computing kpt #: 33 total cpu time spent up to now is 21.7 secs Computing kpt #: 34 total cpu time spent up to now is 22.2 secs Computing kpt #: 35 total cpu time spent up to now is 22.7 secs Computing kpt #: 36 total cpu time spent up to now is 23.2 secs Computing kpt #: 37 total cpu time spent up to now is 23.7 secs Computing kpt #: 38 total cpu time spent up to now is 24.2 secs Computing kpt #: 39 total cpu time spent up to now is 24.7 secs Computing kpt #: 40 total cpu time spent up to now is 25.3 secs Computing kpt #: 41 total cpu time spent up to now is 25.8 secs Computing kpt #: 42 total cpu time spent up to now is 26.3 secs Computing kpt #: 43 total cpu time spent up to now is 26.8 secs Computing kpt #: 44 total cpu time spent up to now is 27.4 secs Computing kpt #: 45 total cpu time spent up to now is 27.9 secs Computing kpt #: 46 total cpu time spent up to now is 28.4 secs Computing kpt #: 47 total cpu time spent up to now is 28.9 secs Computing kpt #: 48 total cpu time spent up to now is 29.5 secs Computing kpt #: 49 total cpu time spent up to now is 30.0 secs Computing kpt #: 50 total cpu time spent up to now is 30.5 secs Computing kpt #: 51 total cpu time spent up to now is 31.1 secs Computing kpt #: 52 total cpu time spent up to now is 31.6 secs Computing kpt #: 53 total cpu time spent up to now is 32.1 secs Computing kpt #: 54 total cpu time spent up to now is 32.6 secs Computing kpt #: 55 total cpu time spent up to now is 33.2 secs Computing kpt #: 56 total cpu time spent up to now is 33.7 secs Computing kpt #: 57 total cpu time spent up to now is 34.2 secs Computing kpt #: 58 total cpu time spent up to now is 34.8 secs Computing kpt #: 59 total cpu time spent up to now is 35.3 secs Computing kpt #: 60 total cpu time spent up to now is 35.8 secs Computing kpt #: 61 total cpu time spent up to now is 36.3 secs Computing kpt #: 62 total cpu time spent up to now is 36.9 secs Computing kpt #: 63 total cpu time spent up to now is 37.4 secs Computing kpt #: 64 total cpu time spent up to now is 37.9 secs Computing kpt #: 65 total cpu time spent up to now is 38.4 secs Computing kpt #: 66 total cpu time spent up to now is 38.9 secs Computing kpt #: 67 total cpu time spent up to now is 39.4 secs Computing kpt #: 68 total cpu time spent up to now is 40.0 secs Computing kpt #: 69 total cpu time spent up to now is 40.5 secs Computing kpt #: 70 total cpu time spent up to now is 41.0 secs Computing kpt #: 71 total cpu time spent up to now is 41.6 secs Computing kpt #: 72 total cpu time spent up to now is 42.1 secs Computing kpt #: 73 total cpu time spent up to now is 42.7 secs Computing kpt #: 74 total cpu time spent up to now is 43.2 secs Computing kpt #: 75 total cpu time spent up to now is 43.8 secs Computing kpt #: 76 total cpu time spent up to now is 44.4 secs Computing kpt #: 77 total cpu time spent up to now is 44.9 secs Computing kpt #: 78 total cpu time spent up to now is 45.6 secs Computing kpt #: 79 total cpu time spent up to now is 46.2 secs Computing kpt #: 80 total cpu time spent up to now is 46.7 secs Computing kpt #: 81 total cpu time spent up to now is 47.3 secs Computing kpt #: 82 total cpu time spent up to now is 47.9 secs Computing kpt #: 83 total cpu time spent up to now is 48.5 secs Computing kpt #: 84 total cpu time spent up to now is 49.1 secs Computing kpt #: 85 total cpu time spent up to now is 49.7 secs Computing kpt #: 86 total cpu time spent up to now is 50.2 secs Computing kpt #: 87 total cpu time spent up to now is 50.8 secs Computing kpt #: 88 total cpu time spent up to now is 51.4 secs Computing kpt #: 89 total cpu time spent up to now is 52.0 secs Computing kpt #: 90 total cpu time spent up to now is 52.6 secs Computing kpt #: 91 total cpu time spent up to now is 53.1 secs Computing kpt #: 92 total cpu time spent up to now is 53.7 secs Computing kpt #: 93 total cpu time spent up to now is 54.3 secs Computing kpt #: 94 total cpu time spent up to now is 54.9 secs Computing kpt #: 95 total cpu time spent up to now is 55.5 secs Computing kpt #: 96 total cpu time spent up to now is 56.1 secs Computing kpt #: 97 total cpu time spent up to now is 56.7 secs Computing kpt #: 98 total cpu time spent up to now is 57.4 secs Computing kpt #: 99 total cpu time spent up to now is 58.1 secs Computing kpt #: 100 total cpu time spent up to now is 58.6 secs Computing kpt #: 101 total cpu time spent up to now is 59.2 secs Computing kpt #: 102 total cpu time spent up to now is 59.7 secs Computing kpt #: 103 total cpu time spent up to now is 60.1 secs Computing kpt #: 104 total cpu time spent up to now is 60.5 secs Computing kpt #: 105 total cpu time spent up to now is 61.0 secs Computing kpt #: 106 total cpu time spent up to now is 61.5 secs Computing kpt #: 107 total cpu time spent up to now is 61.9 secs Computing kpt #: 108 total cpu time spent up to now is 62.3 secs Computing kpt #: 109 total cpu time spent up to now is 62.8 secs Computing kpt #: 110 total cpu time spent up to now is 63.2 secs Computing kpt #: 111 total cpu time spent up to now is 63.6 secs Computing kpt #: 112 total cpu time spent up to now is 64.0 secs Computing kpt #: 113 total cpu time spent up to now is 64.4 secs Computing kpt #: 114 total cpu time spent up to now is 64.9 secs Computing kpt #: 115 total cpu time spent up to now is 65.3 secs Computing kpt #: 116 total cpu time spent up to now is 65.7 secs Computing kpt #: 117 total cpu time spent up to now is 66.1 secs Computing kpt #: 118 total cpu time spent up to now is 66.6 secs Computing kpt #: 119 total cpu time spent up to now is 67.0 secs Computing kpt #: 120 total cpu time spent up to now is 67.5 secs Computing kpt #: 121 total cpu time spent up to now is 67.9 secs Computing kpt #: 122 total cpu time spent up to now is 68.3 secs Computing kpt #: 123 total cpu time spent up to now is 68.8 secs Computing kpt #: 124 total cpu time spent up to now is 69.2 secs Computing kpt #: 125 total cpu time spent up to now is 69.6 secs Computing kpt #: 126 total cpu time spent up to now is 70.1 secs Computing kpt #: 127 total cpu time spent up to now is 70.5 secs Computing kpt #: 128 total cpu time spent up to now is 70.9 secs Computing kpt #: 129 total cpu time spent up to now is 71.3 secs Computing kpt #: 130 total cpu time spent up to now is 71.7 secs Computing kpt #: 131 total cpu time spent up to now is 72.2 secs Computing kpt #: 132 total cpu time spent up to now is 72.6 secs Computing kpt #: 133 total cpu time spent up to now is 73.0 secs Computing kpt #: 134 total cpu time spent up to now is 73.4 secs Computing kpt #: 135 total cpu time spent up to now is 73.9 secs Computing kpt #: 136 total cpu time spent up to now is 74.3 secs Computing kpt #: 137 total cpu time spent up to now is 74.8 secs Computing kpt #: 138 total cpu time spent up to now is 75.2 secs Computing kpt #: 139 total cpu time spent up to now is 75.7 secs Computing kpt #: 140 total cpu time spent up to now is 76.1 secs Computing kpt #: 141 total cpu time spent up to now is 76.6 secs Computing kpt #: 142 total cpu time spent up to now is 77.0 secs Computing kpt #: 143 total cpu time spent up to now is 77.6 secs Computing kpt #: 144 total cpu time spent up to now is 78.0 secs Computing kpt #: 145 total cpu time spent up to now is 78.6 secs Computing kpt #: 146 total cpu time spent up to now is 79.1 secs Computing kpt #: 147 total cpu time spent up to now is 79.6 secs Computing kpt #: 148 total cpu time spent up to now is 80.1 secs Computing kpt #: 149 total cpu time spent up to now is 80.7 secs Computing kpt #: 150 total cpu time spent up to now is 81.2 secs Computing kpt #: 151 total cpu time spent up to now is 81.7 secs Computing kpt #: 152 total cpu time spent up to now is 82.2 secs Computing kpt #: 153 total cpu time spent up to now is 82.7 secs Computing kpt #: 154 total cpu time spent up to now is 83.2 secs Computing kpt #: 155 total cpu time spent up to now is 83.7 secs Computing kpt #: 156 total cpu time spent up to now is 84.2 secs Computing kpt #: 157 total cpu time spent up to now is 84.7 secs Computing kpt #: 158 total cpu time spent up to now is 85.2 secs Computing kpt #: 159 total cpu time spent up to now is 85.7 secs Computing kpt #: 160 total cpu time spent up to now is 86.2 secs Computing kpt #: 161 total cpu time spent up to now is 86.7 secs Computing kpt #: 162 total cpu time spent up to now is 87.2 secs Computing kpt #: 163 total cpu time spent up to now is 87.8 secs Computing kpt #: 164 total cpu time spent up to now is 88.3 secs Computing kpt #: 165 total cpu time spent up to now is 88.8 secs Computing kpt #: 166 total cpu time spent up to now is 89.3 secs Computing kpt #: 167 total cpu time spent up to now is 89.8 secs Computing kpt #: 168 total cpu time spent up to now is 90.3 secs Computing kpt #: 169 total cpu time spent up to now is 90.8 secs Computing kpt #: 170 total cpu time spent up to now is 91.3 secs Computing kpt #: 171 total cpu time spent up to now is 91.9 secs Computing kpt #: 172 total cpu time spent up to now is 92.4 secs Computing kpt #: 173 total cpu time spent up to now is 92.9 secs Computing kpt #: 174 total cpu time spent up to now is 93.4 secs Computing kpt #: 175 total cpu time spent up to now is 94.0 secs Computing kpt #: 176 total cpu time spent up to now is 94.4 secs Computing kpt #: 177 total cpu time spent up to now is 94.9 secs Computing kpt #: 178 total cpu time spent up to now is 95.4 secs Computing kpt #: 179 total cpu time spent up to now is 95.9 secs Computing kpt #: 180 total cpu time spent up to now is 96.4 secs Computing kpt #: 181 total cpu time spent up to now is 96.9 secs Computing kpt #: 182 total cpu time spent up to now is 97.4 secs Computing kpt #: 183 total cpu time spent up to now is 97.9 secs Computing kpt #: 184 total cpu time spent up to now is 98.3 secs Computing kpt #: 185 total cpu time spent up to now is 98.8 secs Computing kpt #: 186 total cpu time spent up to now is 99.2 secs Computing kpt #: 187 total cpu time spent up to now is 99.7 secs Computing kpt #: 188 total cpu time spent up to now is 100.2 secs Computing kpt #: 189 total cpu time spent up to now is 100.7 secs Computing kpt #: 190 total cpu time spent up to now is 101.2 secs Computing kpt #: 191 total cpu time spent up to now is 101.7 secs Computing kpt #: 192 total cpu time spent up to now is 102.2 secs Computing kpt #: 193 total cpu time spent up to now is 102.7 secs Computing kpt #: 194 total cpu time spent up to now is 103.3 secs Computing kpt #: 195 total cpu time spent up to now is 103.8 secs Computing kpt #: 196 total cpu time spent up to now is 104.3 secs Computing kpt #: 197 total cpu time spent up to now is 104.9 secs Computing kpt #: 198 total cpu time spent up to now is 105.5 secs Computing kpt #: 199 total cpu time spent up to now is 106.0 secs Computing kpt #: 200 total cpu time spent up to now is 106.6 secs Computing kpt #: 201 total cpu time spent up to now is 107.2 secs Computing kpt #: 202 total cpu time spent up to now is 107.7 secs Computing kpt #: 203 total cpu time spent up to now is 108.2 secs Computing kpt #: 204 total cpu time spent up to now is 108.8 secs Computing kpt #: 205 total cpu time spent up to now is 109.3 secs Computing kpt #: 206 total cpu time spent up to now is 109.9 secs Computing kpt #: 207 total cpu time spent up to now is 110.4 secs Computing kpt #: 208 total cpu time spent up to now is 111.0 secs Computing kpt #: 209 total cpu time spent up to now is 111.5 secs Computing kpt #: 210 total cpu time spent up to now is 112.0 secs Computing kpt #: 211 total cpu time spent up to now is 112.5 secs Computing kpt #: 212 total cpu time spent up to now is 113.0 secs Computing kpt #: 213 total cpu time spent up to now is 113.4 secs Computing kpt #: 214 total cpu time spent up to now is 113.9 secs Computing kpt #: 215 total cpu time spent up to now is 114.3 secs Computing kpt #: 216 total cpu time spent up to now is 114.8 secs Computing kpt #: 217 total cpu time spent up to now is 115.3 secs Computing kpt #: 218 total cpu time spent up to now is 115.7 secs Computing kpt #: 219 total cpu time spent up to now is 116.2 secs Computing kpt #: 220 total cpu time spent up to now is 116.6 secs Computing kpt #: 221 total cpu time spent up to now is 117.0 secs Computing kpt #: 222 total cpu time spent up to now is 117.5 secs Computing kpt #: 223 total cpu time spent up to now is 117.9 secs Computing kpt #: 224 total cpu time spent up to now is 118.3 secs Computing kpt #: 225 total cpu time spent up to now is 118.7 secs Computing kpt #: 226 total cpu time spent up to now is 119.1 secs Computing kpt #: 227 total cpu time spent up to now is 119.6 secs Computing kpt #: 228 total cpu time spent up to now is 120.1 secs Computing kpt #: 229 total cpu time spent up to now is 120.6 secs Computing kpt #: 230 total cpu time spent up to now is 121.0 secs Computing kpt #: 231 total cpu time spent up to now is 121.5 secs Computing kpt #: 232 total cpu time spent up to now is 122.0 secs Computing kpt #: 233 total cpu time spent up to now is 122.4 secs Computing kpt #: 234 total cpu time spent up to now is 122.9 secs Computing kpt #: 235 total cpu time spent up to now is 123.3 secs Computing kpt #: 236 total cpu time spent up to now is 123.7 secs Computing kpt #: 237 total cpu time spent up to now is 124.2 secs Computing kpt #: 238 total cpu time spent up to now is 124.6 secs Computing kpt #: 239 total cpu time spent up to now is 125.1 secs Computing kpt #: 240 total cpu time spent up to now is 125.5 secs Computing kpt #: 241 total cpu time spent up to now is 126.0 secs Computing kpt #: 242 total cpu time spent up to now is 126.4 secs Computing kpt #: 243 total cpu time spent up to now is 126.9 secs Computing kpt #: 244 total cpu time spent up to now is 127.3 secs Computing kpt #: 245 total cpu time spent up to now is 127.8 secs Computing kpt #: 246 total cpu time spent up to now is 128.2 secs Computing kpt #: 247 total cpu time spent up to now is 128.7 secs Computing kpt #: 248 total cpu time spent up to now is 129.1 secs Computing kpt #: 249 total cpu time spent up to now is 129.6 secs Computing kpt #: 250 total cpu time spent up to now is 130.1 secs Computing kpt #: 251 total cpu time spent up to now is 130.5 secs Computing kpt #: 252 total cpu time spent up to now is 131.0 secs Computing kpt #: 253 total cpu time spent up to now is 131.4 secs Computing kpt #: 254 total cpu time spent up to now is 131.9 secs Computing kpt #: 255 total cpu time spent up to now is 132.3 secs Computing kpt #: 256 total cpu time spent up to now is 132.8 secs Computing kpt #: 257 total cpu time spent up to now is 133.3 secs Computing kpt #: 258 total cpu time spent up to now is 133.8 secs Computing kpt #: 259 total cpu time spent up to now is 134.3 secs Computing kpt #: 260 total cpu time spent up to now is 134.8 secs Computing kpt #: 261 total cpu time spent up to now is 135.3 secs Computing kpt #: 262 total cpu time spent up to now is 135.8 secs Computing kpt #: 263 total cpu time spent up to now is 136.3 secs Computing kpt #: 264 total cpu time spent up to now is 136.8 secs Computing kpt #: 265 total cpu time spent up to now is 137.2 secs Computing kpt #: 266 total cpu time spent up to now is 137.7 secs Computing kpt #: 267 total cpu time spent up to now is 138.1 secs Computing kpt #: 268 total cpu time spent up to now is 138.5 secs Computing kpt #: 269 total cpu time spent up to now is 138.9 secs Computing kpt #: 270 total cpu time spent up to now is 139.4 secs Computing kpt #: 271 total cpu time spent up to now is 139.8 secs Computing kpt #: 272 total cpu time spent up to now is 140.2 secs Computing kpt #: 273 total cpu time spent up to now is 140.6 secs Computing kpt #: 274 total cpu time spent up to now is 141.0 secs Computing kpt #: 275 total cpu time spent up to now is 141.4 secs Computing kpt #: 276 total cpu time spent up to now is 141.8 secs Computing kpt #: 277 total cpu time spent up to now is 142.2 secs Computing kpt #: 278 total cpu time spent up to now is 142.6 secs Computing kpt #: 279 total cpu time spent up to now is 143.1 secs Computing kpt #: 280 total cpu time spent up to now is 143.5 secs Computing kpt #: 281 total cpu time spent up to now is 143.9 secs Computing kpt #: 282 total cpu time spent up to now is 144.3 secs Computing kpt #: 283 total cpu time spent up to now is 144.8 secs Computing kpt #: 284 total cpu time spent up to now is 145.2 secs Computing kpt #: 285 total cpu time spent up to now is 145.6 secs Computing kpt #: 286 total cpu time spent up to now is 146.1 secs Computing kpt #: 287 total cpu time spent up to now is 146.5 secs Computing kpt #: 288 total cpu time spent up to now is 147.0 secs Computing kpt #: 289 total cpu time spent up to now is 147.4 secs Computing kpt #: 290 total cpu time spent up to now is 147.9 secs ethr = 2.78E-08, avg # of iterations = 23.2 total cpu time spent up to now is 147.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3927 PWs) bands (ev): -21.4873 -21.4873 -21.4081 -21.4081 -8.0853 -8.0853 -6.3207 -6.3207 -6.0597 -6.0597 -5.5144 -5.5144 -5.4314 -5.4314 -5.1764 -5.1764 -5.1703 -5.1703 -0.7803 -0.7803 0.2879 0.2879 2.7070 2.7070 2.7181 2.7181 2.7713 2.7713 3.0064 3.0064 3.5405 3.5405 3.9928 3.9928 4.6737 4.6737 9.0126 9.0126 9.1103 9.1103 10.0213 10.0213 10.4909 10.4909 k = 0.0147 0.0085-0.0000 ( 3911 PWs) bands (ev): -21.4873 -21.4873 -21.4081 -21.4081 -8.0855 -8.0855 -6.3207 -6.3207 -6.0597 -6.0597 -5.5143 -5.5143 -5.4314 -5.4314 -5.1764 -5.1764 -5.1702 -5.1702 -0.7802 -0.7802 0.2882 0.2882 2.7018 2.7018 2.7217 2.7217 2.7722 2.7722 3.0064 3.0064 3.5424 3.5424 3.9928 3.9928 4.6737 4.6737 9.0042 9.0042 9.1100 9.1100 10.0235 10.0235 10.4892 10.4892 k = 0.0294 0.0170-0.0000 ( 3911 PWs) bands (ev): -21.4872 -21.4872 -21.4082 -21.4082 -8.0860 -8.0860 -6.3206 -6.3206 -6.0599 -6.0599 -5.5142 -5.5142 -5.4314 -5.4314 -5.1766 -5.1766 -5.1701 -5.1701 -0.7799 -0.7799 0.2890 0.2890 2.6923 2.6923 2.7271 2.7271 2.7748 2.7748 3.0065 3.0065 3.5481 3.5481 3.9928 3.9928 4.6737 4.6737 8.9800 8.9800 9.1087 9.1087 10.0293 10.0293 10.4853 10.4853 k = 0.0441 0.0255-0.0000 ( 3911 PWs) bands (ev): -21.4870 -21.4870 -21.4084 -21.4084 -8.0870 -8.0870 -6.3204 -6.3204 -6.0603 -6.0603 -5.5140 -5.5140 -5.4314 -5.4314 -5.1769 -5.1769 -5.1698 -5.1698 -0.7793 -0.7793 0.2903 0.2903 2.6811 2.6811 2.7319 2.7319 2.7786 2.7786 3.0067 3.0067 3.5575 3.5575 3.9929 3.9929 4.6738 4.6738 8.9424 8.9424 9.1059 9.1059 10.0362 10.0362 10.4817 10.4817 k = 0.0588 0.0340-0.0000 ( 3916 PWs) bands (ev): -21.4867 -21.4867 -21.4086 -21.4086 -8.0883 -8.0883 -6.3201 -6.3201 -6.0608 -6.0608 -5.5138 -5.5138 -5.4314 -5.4314 -5.1773 -5.1773 -5.1694 -5.1694 -0.7786 -0.7786 0.2922 0.2922 2.6689 2.6689 2.7363 2.7363 2.7829 2.7829 3.0070 3.0070 3.5703 3.5703 3.9929 3.9929 4.6738 4.6738 8.8941 8.8941 9.1014 9.1014 10.0412 10.0412 10.4814 10.4814 k = 0.0735 0.0425-0.0000 ( 3906 PWs) bands (ev): -21.4863 -21.4863 -21.4089 -21.4089 -8.0900 -8.0900 -6.3197 -6.3197 -6.0614 -6.0614 -5.5134 -5.5134 -5.4313 -5.4313 -5.1778 -5.1778 -5.1690 -5.1690 -0.7776 -0.7776 0.2946 0.2946 2.6561 2.6561 2.7404 2.7404 2.7875 2.7875 3.0074 3.0074 3.5864 3.5864 3.9928 3.9928 4.6739 4.6739 8.8374 8.8374 9.0954 9.0954 10.0413 10.0413 10.4870 10.4870 k = 0.0882 0.0509-0.0000 ( 3910 PWs) bands (ev): -21.4858 -21.4858 -21.4093 -21.4093 -8.0920 -8.0920 -6.3192 -6.3192 -6.0621 -6.0621 -5.5130 -5.5130 -5.4312 -5.4312 -5.1785 -5.1785 -5.1685 -5.1685 -0.7765 -0.7765 0.2975 0.2975 2.6430 2.6430 2.7446 2.7446 2.7920 2.7920 3.0079 3.0079 3.6052 3.6052 3.9928 3.9928 4.6739 4.6739 8.7748 8.7748 9.0880 9.0880 10.0347 10.0347 10.5000 10.5000 k = 0.1029 0.0594-0.0000 ( 3904 PWs) bands (ev): -21.4853 -21.4853 -21.4098 -21.4098 -8.0943 -8.0943 -6.3186 -6.3186 -6.0630 -6.0630 -5.5124 -5.5124 -5.4310 -5.4310 -5.1793 -5.1793 -5.1680 -5.1680 -0.7751 -0.7751 0.3009 0.3009 2.6298 2.6298 2.7490 2.7490 2.7962 2.7962 3.0084 3.0084 3.6266 3.6266 3.9927 3.9927 4.6740 4.6740 8.7081 8.7081 9.0796 9.0796 10.0210 10.0210 10.5208 10.5208 k = 0.1176 0.0679-0.0000 ( 3904 PWs) bands (ev): -21.4847 -21.4847 -21.4103 -21.4103 -8.0970 -8.0970 -6.3179 -6.3179 -6.0640 -6.0640 -5.5118 -5.5118 -5.4307 -5.4307 -5.1802 -5.1802 -5.1675 -5.1675 -0.7736 -0.7736 0.3048 0.3048 2.6169 2.6169 2.7537 2.7537 2.8000 2.8000 3.0089 3.0089 3.6502 3.6502 3.9926 3.9926 4.6739 4.6739 8.6390 8.6390 9.0702 9.0702 10.0008 10.0008 10.5485 10.5485 k = 0.1324 0.0764-0.0000 ( 3916 PWs) bands (ev): -21.4840 -21.4840 -21.4109 -21.4109 -8.1000 -8.1000 -6.3171 -6.3171 -6.0652 -6.0652 -5.5110 -5.5110 -5.4303 -5.4303 -5.1814 -5.1814 -5.1671 -5.1671 -0.7720 -0.7720 0.3090 0.3090 2.6043 2.6043 2.7586 2.7586 2.8034 2.8034 3.0095 3.0095 3.6755 3.6755 3.9925 3.9925 4.6739 4.6739 8.5687 8.5687 9.0600 9.0600 9.9757 9.9757 10.5820 10.5820 k = 0.1471 0.0849-0.0000 ( 3912 PWs) bands (ev): -21.4833 -21.4833 -21.4115 -21.4115 -8.1032 -8.1032 -6.3161 -6.3161 -6.0665 -6.0665 -5.5102 -5.5102 -5.4298 -5.4298 -5.1827 -5.1827 -5.1667 -5.1667 -0.7702 -0.7702 0.3136 0.3136 2.5924 2.5924 2.7638 2.7638 2.8065 2.8065 3.0102 3.0102 3.7022 3.7022 3.9922 3.9922 4.6737 4.6737 8.4984 8.4984 9.0493 9.0493 9.9469 9.9469 10.6202 10.6202 k = 0.1618 0.0934-0.0000 ( 3916 PWs) bands (ev): -21.4824 -21.4824 -21.4122 -21.4122 -8.1066 -8.1066 -6.3150 -6.3150 -6.0679 -6.0679 -5.5092 -5.5092 -5.4290 -5.4290 -5.1842 -5.1842 -5.1665 -5.1665 -0.7683 -0.7683 0.3186 0.3186 2.5811 2.5811 2.7693 2.7693 2.8092 2.8092 3.0109 3.0109 3.7299 3.7299 3.9919 3.9919 4.6735 4.6735 8.4289 8.4289 9.0382 9.0382 9.9157 9.9157 10.6618 10.6618 k = 0.1765 0.1019-0.0000 ( 3916 PWs) bands (ev): -21.4816 -21.4816 -21.4129 -21.4129 -8.1103 -8.1103 -6.3137 -6.3137 -6.0695 -6.0695 -5.5082 -5.5082 -5.4280 -5.4280 -5.1859 -5.1859 -5.1664 -5.1664 -0.7663 -0.7663 0.3239 0.3239 2.5708 2.5708 2.7749 2.7749 2.8117 2.8117 3.0116 3.0116 3.7584 3.7584 3.9915 3.9915 4.6731 4.6731 8.3609 8.3609 9.0267 9.0267 9.8831 9.8831 10.7061 10.7061 k = 0.1912 0.1104-0.0000 ( 3922 PWs) bands (ev): -21.4806 -21.4806 -21.4138 -21.4138 -8.1142 -8.1142 -6.3123 -6.3123 -6.0712 -6.0712 -5.5070 -5.5070 -5.4268 -5.4268 -5.1879 -5.1879 -5.1664 -5.1664 -0.7642 -0.7642 0.3294 0.3294 2.5615 2.5615 2.7806 2.7806 2.8141 2.8141 3.0122 3.0122 3.7873 3.7873 3.9910 3.9910 4.6727 4.6727 8.2950 8.2950 9.0150 9.0150 9.8499 9.8499 10.7519 10.7519 k = 0.2059 0.1189-0.0000 ( 3914 PWs) bands (ev): -21.4796 -21.4796 -21.4146 -21.4146 -8.1182 -8.1182 -6.3107 -6.3107 -6.0730 -6.0730 -5.5059 -5.5059 -5.4253 -5.4253 -5.1901 -5.1901 -5.1665 -5.1665 -0.7620 -0.7620 0.3352 0.3352 2.5532 2.5532 2.7863 2.7863 2.8163 2.8163 3.0129 3.0129 3.8163 3.8163 3.9904 3.9904 4.6721 4.6721 8.2316 8.2316 9.0032 9.0032 9.8166 9.8166 10.7982 10.7982 k = 0.2206 0.1274-0.0000 ( 3918 PWs) bands (ev): -21.4785 -21.4785 -21.4155 -21.4155 -8.1223 -8.1223 -6.3089 -6.3089 -6.0749 -6.0749 -5.5046 -5.5046 -5.4234 -5.4234 -5.1926 -5.1926 -5.1668 -5.1668 -0.7598 -0.7598 0.3411 0.3411 2.5461 2.5461 2.7918 2.7918 2.8187 2.8187 3.0136 3.0136 3.8450 3.8450 3.9897 3.9897 4.6714 4.6714 8.1711 8.1711 8.9913 8.9913 9.7838 9.7838 10.8432 10.8432 k = 0.2353 0.1358-0.0000 ( 3922 PWs) bands (ev): -21.4774 -21.4774 -21.4165 -21.4165 -8.1266 -8.1266 -6.3070 -6.3070 -6.0770 -6.0770 -5.5034 -5.5034 -5.4212 -5.4212 -5.1955 -5.1955 -5.1672 -5.1672 -0.7576 -0.7576 0.3472 0.3472 2.5401 2.5401 2.7967 2.7967 2.8216 2.8216 3.0142 3.0142 3.8732 3.8732 3.9890 3.9890 4.6706 4.6706 8.1138 8.1138 8.9794 8.9794 9.7516 9.7516 10.8849 10.8849 k = 0.2500 0.1443-0.0000 ( 3914 PWs) bands (ev): -21.4762 -21.4762 -21.4175 -21.4175 -8.1308 -8.1308 -6.3049 -6.3049 -6.0791 -6.0791 -5.5022 -5.5022 -5.4185 -5.4185 -5.1987 -5.1987 -5.1677 -5.1677 -0.7554 -0.7554 0.3533 0.3533 2.5353 2.5353 2.8008 2.8008 2.8251 2.8251 3.0147 3.0147 3.9006 3.9006 3.9884 3.9884 4.6697 4.6697 8.0598 8.0598 8.9674 8.9674 9.7206 9.7206 10.9203 10.9203 k = 0.2647 0.1528-0.0000 ( 3912 PWs) bands (ev): -21.4750 -21.4750 -21.4186 -21.4186 -8.1351 -8.1351 -6.3027 -6.3027 -6.0814 -6.0814 -5.5010 -5.5010 -5.4154 -5.4154 -5.2023 -5.2023 -5.1682 -5.1682 -0.7532 -0.7532 0.3594 0.3594 2.5316 2.5316 2.8039 2.8039 2.8294 2.8294 3.0151 3.0151 3.9266 3.9266 3.9882 3.9882 4.6686 4.6686 8.0094 8.0094 8.9555 8.9555 9.6907 9.6907 10.9457 10.9457 k = 0.2794 0.1613-0.0000 ( 3906 PWs) bands (ev): -21.4738 -21.4738 -21.4196 -21.4196 -8.1393 -8.1393 -6.3004 -6.3004 -6.0837 -6.0837 -5.4998 -5.4998 -5.4119 -5.4119 -5.2063 -5.2063 -5.1689 -5.1689 -0.7510 -0.7510 0.3655 0.3655 2.5290 2.5290 2.8059 2.8059 2.8346 2.8346 3.0155 3.0155 3.9501 3.9501 3.9892 3.9892 4.6674 4.6674 7.9626 7.9626 8.9437 8.9437 9.6623 9.6623 10.9568 10.9568 k = 0.2941 0.1698-0.0000 ( 3900 PWs) bands (ev): -21.4725 -21.4725 -21.4208 -21.4208 -8.1435 -8.1435 -6.2979 -6.2979 -6.0860 -6.0860 -5.4988 -5.4988 -5.4079 -5.4079 -5.2107 -5.2107 -5.1696 -5.1696 -0.7490 -0.7490 0.3715 0.3715 2.5276 2.5276 2.8071 2.8071 2.8403 2.8403 3.0158 3.0158 3.9673 3.9673 3.9953 3.9953 4.6662 4.6662 7.9195 7.9195 8.9320 8.9320 9.6354 9.6354 10.9508 10.9508 k = 0.3088 0.1783-0.0000 ( 3892 PWs) bands (ev): -21.4712 -21.4712 -21.4219 -21.4219 -8.1476 -8.1476 -6.2954 -6.2954 -6.0884 -6.0884 -5.4978 -5.4978 -5.4034 -5.4034 -5.2156 -5.2156 -5.1703 -5.1703 -0.7469 -0.7469 0.3774 0.3774 2.5271 2.5271 2.8078 2.8078 2.8464 2.8464 3.0159 3.0159 3.9736 3.9736 4.0108 4.0108 4.6649 4.6649 7.8800 7.8800 8.9205 8.9205 9.6101 9.6101 10.9311 10.9311 k = 0.3235 0.1868-0.0000 ( 3892 PWs) bands (ev): -21.4700 -21.4700 -21.4231 -21.4231 -8.1515 -8.1515 -6.2928 -6.2928 -6.0909 -6.0909 -5.4969 -5.4969 -5.3984 -5.3984 -5.2209 -5.2209 -5.1710 -5.1710 -0.7450 -0.7450 0.3830 0.3830 2.5274 2.5274 2.8079 2.8079 2.8526 2.8526 3.0160 3.0160 3.9744 3.9744 4.0302 4.0302 4.6635 4.6635 7.8442 7.8442 8.9092 8.9092 9.5865 9.5865 10.9037 10.9037 k = 0.3382 0.1953-0.0000 ( 3896 PWs) bands (ev): -21.4686 -21.4686 -21.4242 -21.4242 -8.1553 -8.1553 -6.2903 -6.2903 -6.0933 -6.0933 -5.4961 -5.4961 -5.3929 -5.3929 -5.2266 -5.2266 -5.1717 -5.1717 -0.7432 -0.7432 0.3884 0.3884 2.5285 2.5285 2.8077 2.8077 2.8587 2.8587 3.0159 3.0159 3.9736 3.9736 4.0496 4.0496 4.6621 4.6621 7.8120 7.8120 8.8982 8.8982 9.5648 9.5648 10.8733 10.8733 k = 0.3529 0.2038-0.0000 ( 3900 PWs) bands (ev): -21.4674 -21.4674 -21.4254 -21.4254 -8.1589 -8.1589 -6.2877 -6.2877 -6.0956 -6.0956 -5.4955 -5.4955 -5.3870 -5.3870 -5.2327 -5.2327 -5.1723 -5.1723 -0.7415 -0.7415 0.3935 0.3935 2.5303 2.5303 2.8073 2.8073 2.8646 2.8646 3.0157 3.0157 3.9723 3.9723 4.0678 4.0678 4.6607 4.6607 7.7833 7.7833 8.8875 8.8875 9.5448 9.5448 10.8427 10.8427 k = 0.3676 0.2123-0.0000 ( 3892 PWs) bands (ev): -21.4661 -21.4661 -21.4266 -21.4266 -8.1622 -8.1622 -6.2852 -6.2852 -6.0979 -6.0979 -5.4949 -5.4949 -5.3807 -5.3807 -5.2393 -5.2393 -5.1729 -5.1729 -0.7399 -0.7399 0.3983 0.3983 2.5326 2.5326 2.8068 2.8068 2.8703 2.8703 3.0154 3.0154 3.9707 3.9707 4.0845 4.0845 4.6593 4.6593 7.7579 7.7579 8.8774 8.8774 9.5267 9.5267 10.8131 10.8131 k = 0.3824 0.2208-0.0000 ( 3888 PWs) bands (ev): -21.4648 -21.4648 -21.4277 -21.4277 -8.1653 -8.1653 -6.2828 -6.2828 -6.1001 -6.1001 -5.4944 -5.4944 -5.3740 -5.3740 -5.2462 -5.2462 -5.1735 -5.1735 -0.7385 -0.7385 0.4027 0.4027 2.5352 2.5352 2.8061 2.8061 2.8757 2.8757 3.0151 3.0151 3.9691 3.9691 4.0996 4.0996 4.6580 4.6580 7.7358 7.7358 8.8679 8.8679 9.5105 9.5105 10.7855 10.7855 k = 0.3971 0.2292-0.0000 ( 3884 PWs) bands (ev): -21.4636 -21.4636 -21.4288 -21.4288 -8.1680 -8.1680 -6.2805 -6.2805 -6.1022 -6.1022 -5.4939 -5.4939 -5.3669 -5.3669 -5.2534 -5.2534 -5.1740 -5.1740 -0.7372 -0.7372 0.4066 0.4066 2.5380 2.5380 2.8054 2.8054 2.8806 2.8806 3.0147 3.0147 3.9675 3.9675 4.1130 4.1130 4.6567 4.6567 7.7168 7.7168 8.8591 8.8591 9.4962 9.4962 10.7602 10.7602 k = 0.4118 0.2377-0.0000 ( 3888 PWs) bands (ev): -21.4625 -21.4625 -21.4298 -21.4298 -8.1705 -8.1705 -6.2784 -6.2784 -6.1040 -6.1040 -5.4936 -5.4936 -5.3595 -5.3595 -5.2610 -5.2610 -5.1744 -5.1744 -0.7361 -0.7361 0.4101 0.4101 2.5409 2.5409 2.8046 2.8046 2.8849 2.8849 3.0142 3.0142 3.9660 3.9660 4.1246 4.1246 4.6556 4.6556 7.7006 7.7006 8.8512 8.8512 9.4838 9.4838 10.7377 10.7377 k = 0.4265 0.2462-0.0000 ( 3882 PWs) bands (ev): -21.4615 -21.4615 -21.4307 -21.4307 -8.1726 -8.1726 -6.2765 -6.2765 -6.1057 -6.1057 -5.4933 -5.4933 -5.3518 -5.3518 -5.2688 -5.2688 -5.1748 -5.1748 -0.7351 -0.7351 0.4131 0.4131 2.5436 2.5436 2.8038 2.8038 2.8888 2.8888 3.0137 3.0137 3.9646 3.9646 4.1345 4.1345 4.6546 4.6546 7.6873 7.6873 8.8442 8.8442 9.4733 9.4733 10.7183 10.7183 k = 0.4412 0.2547-0.0000 ( 3878 PWs) bands (ev): -21.4606 -21.4606 -21.4316 -21.4316 -8.1744 -8.1744 -6.2749 -6.2749 -6.1071 -6.1071 -5.4931 -5.4931 -5.3439 -5.3439 -5.2768 -5.2768 -5.1752 -5.1752 -0.7343 -0.7343 0.4156 0.4156 2.5461 2.5461 2.8032 2.8032 2.8920 2.8920 3.0133 3.0133 3.9634 3.9634 4.1425 4.1425 4.6538 4.6538 7.6766 7.6766 8.8383 8.8383 9.4647 9.4647 10.7020 10.7020 k = 0.4559 0.2632-0.0000 ( 3880 PWs) bands (ev): -21.4599 -21.4599 -21.4323 -21.4323 -8.1758 -8.1758 -6.2736 -6.2736 -6.1082 -6.1082 -5.4930 -5.4930 -5.3358 -5.3358 -5.2850 -5.2850 -5.1754 -5.1754 -0.7337 -0.7337 0.4176 0.4176 2.5482 2.5482 2.8026 2.8026 2.8946 2.8946 3.0129 3.0129 3.9625 3.9625 4.1487 4.1487 4.6531 4.6531 7.6685 7.6685 8.8336 8.8336 9.4580 9.4580 10.6892 10.6892 k = 0.4706 0.2717-0.0000 ( 3884 PWs) bands (ev): -21.4593 -21.4593 -21.4328 -21.4328 -8.1768 -8.1768 -6.2727 -6.2727 -6.1091 -6.1091 -5.4928 -5.4928 -5.3276 -5.3276 -5.2932 -5.2932 -5.1756 -5.1756 -0.7332 -0.7332 0.4190 0.4190 2.5497 2.5497 2.8022 2.8022 2.8965 2.8965 3.0126 3.0126 3.9618 3.9618 4.1532 4.1532 4.6526 4.6526 7.6627 7.6627 8.8302 8.8302 9.4532 9.4532 10.6800 10.6800 k = 0.4853 0.2802-0.0000 ( 3888 PWs) bands (ev): -21.4590 -21.4590 -21.4331 -21.4331 -8.1774 -8.1774 -6.2721 -6.2721 -6.1096 -6.1096 -5.4928 -5.4928 -5.3194 -5.3194 -5.3014 -5.3014 -5.1757 -5.1757 -0.7330 -0.7330 0.4199 0.4199 2.5507 2.5507 2.8019 2.8019 2.8976 2.8976 3.0124 3.0124 3.9613 3.9613 4.1559 4.1559 4.6523 4.6523 7.6593 7.6593 8.8281 8.8281 9.4504 9.4504 10.6744 10.6744 k = 0.5000 0.2887-0.0000 ( 3888 PWs) bands (ev): -21.4588 -21.4588 -21.4332 -21.4332 -8.1776 -8.1776 -6.2719 -6.2719 -6.1098 -6.1098 -5.4928 -5.4928 -5.3135 -5.3135 -5.3073 -5.3073 -5.1757 -5.1757 -0.7329 -0.7329 0.4201 0.4201 2.5510 2.5510 2.8018 2.8018 2.8980 2.8980 3.0123 3.0123 3.9612 3.9612 4.1568 4.1568 4.6522 4.6522 7.6581 7.6581 8.8274 8.8274 9.4494 9.4494 10.6725 10.6725 k = 0.5000 0.2887-0.0000 ( 3888 PWs) bands (ev): -21.4588 -21.4588 -21.4332 -21.4332 -8.1776 -8.1776 -6.2719 -6.2719 -6.1098 -6.1098 -5.4928 -5.4928 -5.3135 -5.3135 -5.3073 -5.3073 -5.1757 -5.1757 -0.7329 -0.7329 0.4201 0.4201 2.5510 2.5510 2.8018 2.8018 2.8980 2.8980 3.0123 3.0123 3.9612 3.9612 4.1568 4.1568 4.6522 4.6522 7.6581 7.6581 8.8274 8.8274 9.4494 9.4494 10.6725 10.6725 k = 0.4917 0.3031-0.0000 ( 3888 PWs) bands (ev): -21.4588 -21.4588 -21.4333 -21.4333 -8.1777 -8.1777 -6.2717 -6.2717 -6.1100 -6.1100 -5.4924 -5.4924 -5.3141 -5.3141 -5.3070 -5.3070 -5.1759 -5.1759 -0.7328 -0.7328 0.4203 0.4203 2.5514 2.5514 2.8015 2.8015 2.8978 2.8978 3.0125 3.0125 3.9612 3.9612 4.1570 4.1570 4.6520 4.6520 7.6591 7.6591 8.8227 8.8227 9.4538 9.4538 10.6735 10.6735 k = 0.4833 0.3175-0.0000 ( 3882 PWs) bands (ev): -21.4587 -21.4587 -21.4334 -21.4334 -8.1779 -8.1779 -6.2711 -6.2711 -6.1106 -6.1106 -5.4915 -5.4915 -5.3154 -5.3154 -5.3061 -5.3061 -5.1762 -5.1762 -0.7328 -0.7328 0.4208 0.4208 2.5526 2.5526 2.8008 2.8008 2.8971 2.8971 3.0132 3.0132 3.9614 3.9614 4.1576 4.1576 4.6515 4.6515 7.6618 7.6618 8.8090 8.8090 9.4666 9.4666 10.6765 10.6765 k = 0.4750 0.3320-0.0000 ( 3882 PWs) bands (ev): -21.4585 -21.4585 -21.4335 -21.4335 -8.1783 -8.1783 -6.2700 -6.2700 -6.1116 -6.1116 -5.4900 -5.4900 -5.3173 -5.3173 -5.3052 -5.3052 -5.1769 -5.1769 -0.7327 -0.7327 0.4215 0.4215 2.5545 2.5545 2.7994 2.7994 2.8960 2.8960 3.0141 3.0141 3.9616 3.9616 4.1585 4.1585 4.6507 4.6507 7.6664 7.6664 8.7872 8.7872 9.4869 9.4869 10.6813 10.6813 k = 0.4667 0.3464-0.0000 ( 3878 PWs) bands (ev): -21.4583 -21.4583 -21.4338 -21.4338 -8.1788 -8.1788 -6.2686 -6.2686 -6.1130 -6.1130 -5.4879 -5.4879 -5.3195 -5.3195 -5.3043 -5.3043 -5.1777 -5.1777 -0.7326 -0.7326 0.4226 0.4226 2.5571 2.5571 2.7976 2.7976 2.8946 2.8946 3.0155 3.0155 3.9620 3.9620 4.1599 4.1599 4.6496 4.6496 7.6729 7.6729 8.7588 8.7588 9.5136 9.5136 10.6873 10.6873 k = 0.4583 0.3608-0.0000 ( 3880 PWs) bands (ev): -21.4580 -21.4580 -21.4341 -21.4341 -8.1794 -8.1794 -6.2667 -6.2667 -6.1148 -6.1148 -5.4852 -5.4852 -5.3220 -5.3220 -5.3035 -5.3035 -5.1788 -5.1788 -0.7324 -0.7324 0.4239 0.4239 2.5605 2.5605 2.7951 2.7951 2.8929 2.8929 3.0170 3.0170 3.9624 3.9624 4.1616 4.1616 4.6483 4.6483 7.6812 7.6812 8.7248 8.7248 9.5455 9.5455 10.6939 10.6939 k = 0.4500 0.3753-0.0000 ( 3876 PWs) bands (ev): -21.4576 -21.4576 -21.4344 -21.4344 -8.1802 -8.1802 -6.2645 -6.2645 -6.1170 -6.1170 -5.4820 -5.4820 -5.3246 -5.3246 -5.3028 -5.3028 -5.1800 -5.1800 -0.7323 -0.7323 0.4255 0.4255 2.5646 2.5646 2.7921 2.7921 2.8912 2.8912 3.0188 3.0188 3.9629 3.9629 4.1636 4.1636 4.6467 4.6467 7.6915 7.6915 8.6867 8.6867 9.5818 9.5818 10.7004 10.7004 k = 0.4417 0.3897-0.0000 ( 3884 PWs) bands (ev): -21.4571 -21.4571 -21.4349 -21.4349 -8.1811 -8.1811 -6.2620 -6.2620 -6.1194 -6.1194 -5.4783 -5.4783 -5.3276 -5.3276 -5.3023 -5.3023 -5.1814 -5.1814 -0.7321 -0.7321 0.4272 0.4272 2.5694 2.5694 2.7884 2.7884 2.8894 2.8894 3.0206 3.0206 3.9634 3.9634 4.1659 4.1659 4.6448 4.6448 7.7037 7.7037 8.6453 8.6453 9.6218 9.6218 10.7055 10.7055 k = 0.4333 0.4041-0.0000 ( 3892 PWs) bands (ev): -21.4566 -21.4566 -21.4354 -21.4354 -8.1821 -8.1821 -6.2591 -6.2591 -6.1222 -6.1222 -5.4741 -5.4741 -5.3306 -5.3306 -5.3019 -5.3019 -5.1830 -5.1830 -0.7319 -0.7319 0.4291 0.4291 2.5748 2.5748 2.7842 2.7842 2.8877 2.8877 3.0225 3.0225 3.9639 3.9639 4.1684 4.1684 4.6428 4.6428 7.7179 7.7179 8.6014 8.6014 9.6648 9.6648 10.7082 10.7082 k = 0.4250 0.4186-0.0000 ( 3890 PWs) bands (ev): -21.4560 -21.4560 -21.4359 -21.4359 -8.1831 -8.1831 -6.2560 -6.2560 -6.1253 -6.1253 -5.4695 -5.4695 -5.3339 -5.3339 -5.3017 -5.3017 -5.1846 -5.1846 -0.7316 -0.7316 0.4311 0.4311 2.5809 2.5809 2.7793 2.7793 2.8861 2.8861 3.0244 3.0244 3.9645 3.9645 4.1711 4.1711 4.6407 4.6407 7.7341 7.7341 8.5558 8.5558 9.7106 9.7106 10.7072 10.7072 k = 0.4167 0.4330-0.0000 ( 3892 PWs) bands (ev): -21.4553 -21.4553 -21.4366 -21.4366 -8.1841 -8.1841 -6.2526 -6.2526 -6.1286 -6.1286 -5.4645 -5.4645 -5.3373 -5.3373 -5.3017 -5.3017 -5.1862 -5.1862 -0.7314 -0.7314 0.4331 0.4331 2.5877 2.5877 2.7738 2.7738 2.8847 2.8847 3.0262 3.0262 3.9650 3.9650 4.1740 4.1740 4.6384 4.6384 7.7524 7.7524 8.5089 8.5089 9.7588 9.7588 10.7015 10.7015 k = 0.4083 0.4474-0.0000 ( 3896 PWs) bands (ev): -21.4546 -21.4546 -21.4372 -21.4372 -8.1852 -8.1852 -6.2490 -6.2490 -6.1320 -6.1320 -5.4593 -5.4593 -5.3409 -5.3409 -5.3019 -5.3019 -5.1879 -5.1879 -0.7311 -0.7311 0.4352 0.4352 2.5949 2.5949 2.7678 2.7678 2.8834 2.8834 3.0280 3.0280 3.9655 3.9655 4.1769 4.1769 4.6361 4.6361 7.7728 7.7728 8.4613 8.4613 9.8094 9.8094 10.6908 10.6908 k = 0.4000 0.4619-0.0000 ( 3894 PWs) bands (ev): -21.4539 -21.4539 -21.4380 -21.4380 -8.1862 -8.1862 -6.2453 -6.2453 -6.1356 -6.1356 -5.4538 -5.4538 -5.3445 -5.3445 -5.3023 -5.3023 -5.1895 -5.1895 -0.7309 -0.7309 0.4373 0.4373 2.6026 2.6026 2.7613 2.7613 2.8824 2.8824 3.0296 3.0296 3.9660 3.9660 4.1798 4.1798 4.6339 4.6339 7.7952 7.7952 8.4132 8.4132 9.8620 9.8620 10.6750 10.6750 k = 0.3917 0.4763-0.0000 ( 3890 PWs) bands (ev): -21.4530 -21.4530 -21.4388 -21.4388 -8.1872 -8.1872 -6.2415 -6.2415 -6.1393 -6.1393 -5.4482 -5.4482 -5.3481 -5.3481 -5.3029 -5.3029 -5.1910 -5.1910 -0.7306 -0.7306 0.4392 0.4392 2.6106 2.6106 2.7545 2.7545 2.8815 2.8815 3.0311 3.0311 3.9664 3.9664 4.1827 4.1827 4.6317 4.6317 7.8198 7.8198 8.3652 8.3652 9.9165 9.9165 10.6549 10.6549 k = 0.3833 0.4907-0.0000 ( 3886 PWs) bands (ev): -21.4521 -21.4521 -21.4396 -21.4396 -8.1882 -8.1882 -6.2378 -6.2378 -6.1429 -6.1429 -5.4426 -5.4426 -5.3516 -5.3516 -5.3036 -5.3036 -5.1923 -5.1923 -0.7304 -0.7304 0.4411 0.4411 2.6190 2.6190 2.7473 2.7473 2.8807 2.8807 3.0324 3.0324 3.9668 3.9668 4.1855 4.1855 4.6296 4.6296 7.8465 7.8465 8.3174 8.3174 9.9725 9.9725 10.6314 10.6314 k = 0.3750 0.5052-0.0000 ( 3874 PWs) bands (ev): -21.4512 -21.4512 -21.4405 -21.4405 -8.1891 -8.1891 -6.2342 -6.2342 -6.1464 -6.1464 -5.4372 -5.4372 -5.3550 -5.3550 -5.3045 -5.3045 -5.1936 -5.1936 -0.7302 -0.7302 0.4427 0.4427 2.6274 2.6274 2.7399 2.7399 2.8802 2.8802 3.0335 3.0335 3.9670 3.9670 4.1880 4.1880 4.6277 4.6277 7.8753 7.8753 8.2703 8.2703 10.0295 10.0295 10.6052 10.6052 k = 0.3667 0.5196-0.0000 ( 3872 PWs) bands (ev): -21.4502 -21.4502 -21.4415 -21.4415 -8.1898 -8.1898 -6.2309 -6.2309 -6.1496 -6.1496 -5.4322 -5.4322 -5.3581 -5.3581 -5.3055 -5.3055 -5.1946 -5.1946 -0.7300 -0.7300 0.4442 0.4442 2.6357 2.6357 2.7326 2.7326 2.8797 2.8797 3.0345 3.0345 3.9672 3.9672 4.1903 4.1903 4.6261 4.6261 7.9061 7.9061 8.2240 8.2240 10.0866 10.0866 10.5772 10.5772 k = 0.3583 0.5340-0.0000 ( 3868 PWs) bands (ev): -21.4492 -21.4492 -21.4425 -21.4425 -8.1905 -8.1905 -6.2280 -6.2280 -6.1524 -6.1524 -5.4278 -5.4278 -5.3606 -5.3606 -5.3066 -5.3066 -5.1954 -5.1954 -0.7298 -0.7298 0.4454 0.4454 2.6436 2.6436 2.7256 2.7256 2.8794 2.8794 3.0352 3.0352 3.9674 3.9674 4.1922 4.1922 4.6248 4.6248 7.9389 7.9389 8.1788 8.1788 10.1419 10.1419 10.5482 10.5482 k = 0.3500 0.5485-0.0000 ( 3872 PWs) bands (ev): -21.4481 -21.4481 -21.4436 -21.4436 -8.1909 -8.1909 -6.2257 -6.2257 -6.1547 -6.1547 -5.4245 -5.4245 -5.3625 -5.3625 -5.3075 -5.3075 -5.1960 -5.1960 -0.7297 -0.7297 0.4463 0.4463 2.6504 2.6504 2.7195 2.7195 2.8792 2.8792 3.0357 3.0357 3.9675 3.9675 4.1937 4.1937 4.6238 4.6238 7.9734 7.9734 8.1353 8.1353 10.1916 10.1916 10.5209 10.5209 k = 0.3417 0.5629-0.0000 ( 3872 PWs) bands (ev): -21.4470 -21.4470 -21.4447 -21.4447 -8.1912 -8.1912 -6.2242 -6.2242 -6.1561 -6.1561 -5.4223 -5.4223 -5.3636 -5.3636 -5.3083 -5.3083 -5.1964 -5.1964 -0.7296 -0.7296 0.4468 0.4468 2.6553 2.6553 2.7150 2.7150 2.8790 2.8790 3.0361 3.0361 3.9675 3.9675 4.1946 4.1946 4.6232 4.6232 8.0090 8.0090 8.0942 8.0942 10.2283 10.2283 10.5018 10.5019 k = 0.3333 0.5774-0.0000 ( 3882 PWs) bands (ev): -21.4459 -21.4459 -21.4458 -21.4458 -8.1914 -8.1914 -6.2237 -6.2237 -6.1566 -6.1566 -5.4216 -5.4216 -5.3639 -5.3639 -5.3086 -5.3086 -5.1965 -5.1965 -0.7296 -0.7296 0.4470 0.4470 2.6571 2.6571 2.7133 2.7133 2.8790 2.8790 3.0362 3.0362 3.9675 3.9675 4.1949 4.1949 4.6230 4.6230 8.0352 8.0352 8.0661 8.0661 10.2420 10.2420 10.4970 10.4970 k = 0.3333 0.5774-0.0000 ( 3882 PWs) bands (ev): -21.4459 -21.4459 -21.4458 -21.4458 -8.1914 -8.1914 -6.2237 -6.2237 -6.1566 -6.1566 -5.4216 -5.4216 -5.3639 -5.3639 -5.3086 -5.3086 -5.1965 -5.1965 -0.7296 -0.7296 0.4470 0.4470 2.6571 2.6571 2.7133 2.7133 2.8790 2.8790 3.0362 3.0362 3.9675 3.9675 4.1949 4.1949 4.6230 4.6230 8.0352 8.0352 8.0661 8.0661 10.2420 10.2420 10.4970 10.4970 k = 0.3250 0.5629-0.0000 ( 3870 PWs) bands (ev): -21.4470 -21.4470 -21.4446 -21.4446 -8.1912 -8.1912 -6.2242 -6.2242 -6.1561 -6.1561 -5.4223 -5.4223 -5.3637 -5.3637 -5.3082 -5.3082 -5.1964 -5.1964 -0.7296 -0.7296 0.4468 0.4468 2.6553 2.6553 2.7150 2.7150 2.8790 2.8790 3.0361 3.0361 3.9675 3.9675 4.1946 4.1946 4.6232 4.6232 8.0092 8.0092 8.0941 8.0941 10.2299 10.2299 10.4948 10.4948 k = 0.3167 0.5485-0.0000 ( 3874 PWs) bands (ev): -21.4483 -21.4483 -21.4434 -21.4434 -8.1909 -8.1909 -6.2257 -6.2257 -6.1546 -6.1546 -5.4242 -5.4242 -5.3634 -5.3634 -5.3069 -5.3069 -5.1960 -5.1960 -0.7297 -0.7297 0.4462 0.4462 2.6503 2.6503 2.7194 2.7194 2.8791 2.8791 3.0357 3.0357 3.9675 3.9675 4.1935 4.1935 4.6238 4.6238 7.9742 7.9742 8.1347 8.1347 10.2006 10.2006 10.4871 10.4871 k = 0.3083 0.5340-0.0000 ( 3876 PWs) bands (ev): -21.4495 -21.4495 -21.4422 -21.4422 -8.1903 -8.1903 -6.2282 -6.2282 -6.1523 -6.1523 -5.4270 -5.4270 -5.3635 -5.3635 -5.3045 -5.3045 -5.1955 -5.1955 -0.7299 -0.7299 0.4452 0.4452 2.6433 2.6433 2.7255 2.7255 2.8792 2.8792 3.0352 3.0352 3.9676 3.9676 4.1915 4.1915 4.6249 4.6249 7.9409 7.9409 8.1777 8.1777 10.1632 10.1632 10.4794 10.4794 k = 0.3000 0.5196-0.0000 ( 3872 PWs) bands (ev): -21.4508 -21.4508 -21.4409 -21.4409 -8.1895 -8.1895 -6.2313 -6.2313 -6.1493 -6.1493 -5.4304 -5.4304 -5.3642 -5.3642 -5.3009 -5.3009 -5.1947 -5.1947 -0.7301 -0.7301 0.4437 0.4437 2.6350 2.6350 2.7324 2.7324 2.8794 2.8794 3.0345 3.0345 3.9677 3.9677 4.1887 4.1887 4.6263 4.6263 7.9102 7.9102 8.2221 8.2221 10.1227 10.1227 10.4744 10.4744 k = 0.2917 0.5052-0.0000 ( 3864 PWs) bands (ev): -21.4521 -21.4521 -21.4396 -21.4396 -8.1883 -8.1883 -6.2350 -6.2350 -6.1457 -6.1457 -5.4343 -5.4343 -5.3657 -5.3657 -5.2963 -5.2963 -5.1938 -5.1938 -0.7305 -0.7305 0.4419 0.4419 2.6261 2.6261 2.7395 2.7395 2.8795 2.8795 3.0337 3.0337 3.9679 3.9679 4.1848 4.1848 4.6281 4.6281 7.8823 7.8823 8.2676 8.2676 10.0816 10.0816 10.4728 10.4728 k = 0.2833 0.4907-0.0000 ( 3872 PWs) bands (ev): -21.4535 -21.4535 -21.4383 -21.4383 -8.1870 -8.1870 -6.2390 -6.2390 -6.1418 -6.1418 -5.4385 -5.4385 -5.3678 -5.3678 -5.2909 -5.2909 -5.1928 -5.1928 -0.7310 -0.7310 0.4395 0.4395 2.6169 2.6169 2.7465 2.7465 2.8795 2.8795 3.0327 3.0327 3.9681 3.9681 4.1799 4.1799 4.6302 4.6302 7.8575 7.8575 8.3138 8.3138 10.0413 10.0413 10.4750 10.4750 k = 0.2750 0.4763-0.0000 ( 3884 PWs) bands (ev): -21.4548 -21.4548 -21.4370 -21.4370 -8.1853 -8.1853 -6.2434 -6.2434 -6.1377 -6.1377 -5.4428 -5.4428 -5.3705 -5.3705 -5.2848 -5.2848 -5.1916 -5.1916 -0.7316 -0.7316 0.4368 0.4368 2.6075 2.6075 2.7531 2.7531 2.8794 2.8794 3.0315 3.0315 3.9685 3.9685 4.1739 4.1739 4.6325 4.6325 7.8362 7.8362 8.3606 8.3606 10.0026 10.0026 10.4811 10.4811 k = 0.2667 0.4619-0.0000 ( 3888 PWs) bands (ev): -21.4562 -21.4562 -21.4357 -21.4357 -8.1834 -8.1834 -6.2478 -6.2478 -6.1334 -6.1334 -5.4473 -5.4473 -5.3737 -5.3737 -5.2783 -5.2783 -5.1903 -5.1903 -0.7323 -0.7323 0.4336 0.4336 2.5983 2.5983 2.7594 2.7594 2.8791 2.8791 3.0303 3.0303 3.9691 3.9691 4.1668 4.1668 4.6351 4.6351 7.8185 7.8185 8.4075 8.4075 9.9660 9.9660 10.4911 10.4911 k = 0.2583 0.4474-0.0000 ( 3884 PWs) bands (ev): -21.4576 -21.4576 -21.4344 -21.4344 -8.1812 -8.1812 -6.2524 -6.2524 -6.1291 -6.1291 -5.4517 -5.4517 -5.3771 -5.3771 -5.2716 -5.2716 -5.1889 -5.1889 -0.7331 -0.7331 0.4301 0.4301 2.5892 2.5892 2.7651 2.7651 2.8785 2.8785 3.0291 3.0291 3.9697 3.9697 4.1584 4.1584 4.6378 4.6378 7.8047 7.8047 8.4542 8.4542 9.9321 9.9321 10.5050 10.5050 k = 0.2500 0.4330-0.0000 ( 3888 PWs) bands (ev): -21.4591 -21.4591 -21.4330 -21.4330 -8.1787 -8.1787 -6.2570 -6.2570 -6.1247 -6.1247 -5.4561 -5.4561 -5.3807 -5.3807 -5.2648 -5.2648 -5.1874 -5.1874 -0.7340 -0.7340 0.4261 0.4261 2.5805 2.5805 2.7704 2.7704 2.8775 2.8775 3.0278 3.0278 3.9705 3.9705 4.1486 4.1486 4.6406 4.6406 7.7949 7.7949 8.5005 8.5005 9.9009 9.9009 10.5228 10.5228 k = 0.2417 0.4186-0.0000 ( 3888 PWs) bands (ev): -21.4605 -21.4605 -21.4317 -21.4317 -8.1760 -8.1760 -6.2616 -6.2616 -6.1204 -6.1204 -5.4604 -5.4604 -5.3845 -5.3845 -5.2580 -5.2580 -5.1858 -5.1858 -0.7350 -0.7350 0.4218 0.4218 2.5722 2.5722 2.7751 2.7751 2.8762 2.8762 3.0265 3.0265 3.9714 3.9714 4.1376 4.1376 4.6435 4.6435 7.7894 7.7894 8.5459 8.5459 9.8729 9.8729 10.5442 10.5442 k = 0.2333 0.4041-0.0000 ( 3888 PWs) bands (ev): -21.4619 -21.4619 -21.4304 -21.4304 -8.1731 -8.1731 -6.2661 -6.2661 -6.1162 -6.1162 -5.4646 -5.4646 -5.3883 -5.3883 -5.2513 -5.2513 -5.1842 -5.1842 -0.7362 -0.7362 0.4172 0.4172 2.5644 2.5644 2.7792 2.7792 2.8744 2.8744 3.0253 3.0253 3.9725 3.9725 4.1252 4.1252 4.6463 4.6463 7.7882 7.7882 8.5902 8.5902 9.8481 9.8481 10.5692 10.5692 k = 0.2250 0.3897-0.0000 ( 3888 PWs) bands (ev): -21.4633 -21.4633 -21.4291 -21.4291 -8.1699 -8.1699 -6.2705 -6.2705 -6.1121 -6.1121 -5.4687 -5.4687 -5.3920 -5.3920 -5.2448 -5.2448 -5.1826 -5.1826 -0.7375 -0.7375 0.4122 0.4122 2.5572 2.5572 2.7829 2.7829 2.8721 2.8721 3.0241 3.0241 3.9736 3.9736 4.1113 4.1113 4.6491 4.6491 7.7915 7.7915 8.6330 8.6330 9.8268 9.8268 10.5976 10.5976 k = 0.2167 0.3753-0.0000 ( 3898 PWs) bands (ev): -21.4647 -21.4647 -21.4278 -21.4278 -8.1665 -8.1665 -6.2748 -6.2748 -6.1081 -6.1081 -5.4726 -5.4726 -5.3958 -5.3958 -5.2385 -5.2385 -5.1809 -5.1809 -0.7389 -0.7389 0.4069 0.4069 2.5508 2.5508 2.7861 2.7861 2.8692 2.8692 3.0230 3.0230 3.9748 3.9748 4.0960 4.0960 4.6519 4.6519 7.7994 7.7994 8.6740 8.6740 9.8091 9.8091 10.6289 10.6289 k = 0.2083 0.3608-0.0000 ( 3894 PWs) bands (ev): -21.4661 -21.4661 -21.4265 -21.4265 -8.1628 -8.1628 -6.2789 -6.2789 -6.1043 -6.1043 -5.4764 -5.4764 -5.3994 -5.3994 -5.2325 -5.2325 -5.1793 -5.1793 -0.7405 -0.7405 0.4014 0.4014 2.5452 2.5452 2.7887 2.7887 2.8659 2.8659 3.0220 3.0220 3.9761 3.9761 4.0792 4.0792 4.6545 4.6545 7.8120 7.8120 8.7130 8.7130 9.7951 9.7951 10.6627 10.6627 k = 0.2000 0.3464-0.0000 ( 3890 PWs) bands (ev): -21.4675 -21.4675 -21.4252 -21.4252 -8.1590 -8.1590 -6.2828 -6.2828 -6.1006 -6.1006 -5.4799 -5.4799 -5.4029 -5.4029 -5.2269 -5.2269 -5.1777 -5.1777 -0.7421 -0.7421 0.3956 0.3956 2.5406 2.5406 2.7910 2.7910 2.8620 2.8620 3.0210 3.0210 3.9773 3.9773 4.0610 4.0610 4.6570 4.6570 7.8293 7.8293 8.7497 8.7497 9.7849 9.7849 10.6985 10.6985 k = 0.1917 0.3320-0.0000 ( 3886 PWs) bands (ev): -21.4689 -21.4689 -21.4240 -21.4240 -8.1551 -8.1551 -6.2866 -6.2866 -6.0970 -6.0970 -5.4833 -5.4833 -5.4062 -5.4062 -5.2215 -5.2215 -5.1761 -5.1761 -0.7439 -0.7439 0.3897 0.3897 2.5369 2.5369 2.7927 2.7927 2.8578 2.8578 3.0201 3.0201 3.9783 3.9783 4.0416 4.0416 4.6593 4.6593 7.8513 7.8513 8.7840 8.7840 9.7784 9.7784 10.7351 10.7351 k = 0.1833 0.3175-0.0000 ( 3886 PWs) bands (ev): -21.4703 -21.4703 -21.4228 -21.4228 -8.1510 -8.1510 -6.2901 -6.2901 -6.0936 -6.0936 -5.4865 -5.4865 -5.4093 -5.4093 -5.2166 -5.2166 -5.1746 -5.1746 -0.7457 -0.7457 0.3836 0.3836 2.5343 2.5343 2.7940 2.7940 2.8531 2.8531 3.0193 3.0193 3.9790 3.9790 4.0211 4.0211 4.6614 4.6614 7.8781 7.8781 8.8159 8.8159 9.7757 9.7757 10.7712 10.7712 k = 0.1750 0.3031-0.0000 ( 3890 PWs) bands (ev): -21.4716 -21.4716 -21.4216 -21.4216 -8.1469 -8.1469 -6.2935 -6.2935 -6.0904 -6.0904 -5.4895 -5.4895 -5.4123 -5.4123 -5.2120 -5.2120 -5.1731 -5.1731 -0.7477 -0.7477 0.3774 0.3774 2.5327 2.5327 2.7947 2.7947 2.8482 2.8482 3.0185 3.0185 3.9778 3.9778 4.0011 4.0011 4.6634 4.6634 7.9095 7.9095 8.8453 8.8453 9.7766 9.7766 10.8043 10.8043 k = 0.1667 0.2887-0.0000 ( 3891 PWs) bands (ev): -21.4729 -21.4729 -21.4204 -21.4204 -8.1426 -8.1426 -6.2966 -6.2966 -6.0874 -6.0874 -5.4923 -5.4923 -5.4150 -5.4150 -5.2078 -5.2078 -5.1717 -5.1717 -0.7497 -0.7497 0.3711 0.3711 2.5324 2.5324 2.7949 2.7949 2.8432 2.8432 3.0177 3.0177 3.9670 3.9670 3.9893 3.9893 4.6652 4.6652 7.9455 7.9455 8.8723 8.8723 9.7812 9.7812 10.8309 10.8309 k = 0.1583 0.2742-0.0000 ( 3897 PWs) bands (ev): -21.4742 -21.4742 -21.4193 -21.4193 -8.1383 -8.1383 -6.2995 -6.2995 -6.0846 -6.0846 -5.4949 -5.4949 -5.4175 -5.4175 -5.2039 -5.2039 -5.1705 -5.1705 -0.7518 -0.7518 0.3648 0.3648 2.5332 2.5332 2.7945 2.7945 2.8382 2.8382 3.0169 3.0169 3.9450 3.9450 3.9875 3.9875 4.6668 4.6668 7.9860 7.9860 8.8970 8.8970 9.7891 9.7891 10.8463 10.8463 k = 0.1500 0.2598-0.0000 ( 3893 PWs) bands (ev): -21.4754 -21.4754 -21.4183 -21.4183 -8.1340 -8.1340 -6.3022 -6.3022 -6.0819 -6.0819 -5.4974 -5.4974 -5.4198 -5.4198 -5.2004 -5.2004 -5.1694 -5.1694 -0.7539 -0.7539 0.3584 0.3584 2.5353 2.5353 2.7934 2.7934 2.8334 2.8334 3.0161 3.0161 3.9198 3.9198 3.9878 3.9878 4.6682 4.6682 8.0307 8.0307 8.9197 8.9197 9.8002 9.8002 10.8467 10.8467 k = 0.1417 0.2454-0.0000 ( 3901 PWs) bands (ev): -21.4766 -21.4766 -21.4172 -21.4172 -8.1297 -8.1297 -6.3047 -6.3047 -6.0794 -6.0794 -5.4996 -5.4996 -5.4218 -5.4218 -5.1972 -5.1972 -5.1685 -5.1685 -0.7561 -0.7561 0.3521 0.3521 2.5387 2.5387 2.7915 2.7915 2.8289 2.8289 3.0154 3.0154 3.8931 3.8931 3.9885 3.9885 4.6694 4.6694 8.0796 8.0796 8.9404 8.9404 9.8143 9.8143 10.8324 10.8324 k = 0.1333 0.2309-0.0000 ( 3905 PWs) bands (ev): -21.4777 -21.4777 -21.4162 -21.4162 -8.1255 -8.1255 -6.3069 -6.3069 -6.0770 -6.0770 -5.5016 -5.5016 -5.4236 -5.4236 -5.1943 -5.1943 -5.1677 -5.1677 -0.7582 -0.7582 0.3459 0.3459 2.5432 2.5432 2.7888 2.7888 2.8248 2.8248 3.0146 3.0146 3.8656 3.8656 3.9892 3.9892 4.6705 4.6705 8.1323 8.1323 8.9595 8.9595 9.8311 9.8311 10.8074 10.8074 k = 0.1250 0.2165-0.0000 ( 3909 PWs) bands (ev): -21.4788 -21.4788 -21.4153 -21.4153 -8.1213 -8.1213 -6.3089 -6.3089 -6.0748 -6.0748 -5.5035 -5.5035 -5.4252 -5.4252 -5.1917 -5.1917 -5.1671 -5.1671 -0.7604 -0.7604 0.3399 0.3399 2.5490 2.5490 2.7854 2.7854 2.8212 2.8212 3.0138 3.0138 3.8375 3.8375 3.9899 3.9899 4.6714 4.6714 8.1887 8.1887 8.9770 8.9770 9.8504 9.8504 10.7760 10.7760 k = 0.1167 0.2021-0.0000 ( 3917 PWs) bands (ev): -21.4798 -21.4798 -21.4144 -21.4144 -8.1172 -8.1172 -6.3108 -6.3108 -6.0728 -6.0728 -5.5051 -5.5051 -5.4265 -5.4265 -5.1894 -5.1894 -5.1667 -5.1667 -0.7626 -0.7626 0.3340 0.3340 2.5561 2.5561 2.7813 2.7813 2.8180 2.8180 3.0130 3.0130 3.8091 3.8091 3.9906 3.9906 4.6721 4.6721 8.2483 8.2483 8.9933 8.9933 9.8716 9.8716 10.7411 10.7411 k = 0.1083 0.1876-0.0000 ( 3929 PWs) bands (ev): -21.4808 -21.4808 -21.4136 -21.4136 -8.1133 -8.1133 -6.3124 -6.3124 -6.0710 -6.0710 -5.5066 -5.5066 -5.4277 -5.4277 -5.1874 -5.1874 -5.1665 -5.1665 -0.7647 -0.7647 0.3283 0.3283 2.5642 2.5642 2.7768 2.7768 2.8151 2.8151 3.0123 3.0123 3.7805 3.7805 3.9912 3.9912 4.6727 4.6727 8.3109 8.3109 9.0085 9.0085 9.8946 9.8946 10.7047 10.7047 k = 0.1000 0.1732-0.0000 ( 3925 PWs) bands (ev): -21.4817 -21.4817 -21.4128 -21.4128 -8.1095 -8.1095 -6.3139 -6.3139 -6.0692 -6.0692 -5.5080 -5.5080 -5.4286 -5.4286 -5.1855 -5.1855 -5.1665 -5.1665 -0.7667 -0.7667 0.3228 0.3228 2.5734 2.5734 2.7720 2.7720 2.8122 2.8122 3.0115 3.0115 3.7522 3.7522 3.9916 3.9916 4.6732 4.6732 8.3759 8.3759 9.0227 9.0227 9.9186 9.9186 10.6680 10.6680 k = 0.0917 0.1588-0.0000 ( 3909 PWs) bands (ev): -21.4826 -21.4826 -21.4120 -21.4120 -8.1059 -8.1059 -6.3151 -6.3151 -6.0677 -6.0677 -5.5091 -5.5091 -5.4294 -5.4294 -5.1839 -5.1839 -5.1666 -5.1666 -0.7687 -0.7687 0.3176 0.3176 2.5836 2.5836 2.7670 2.7670 2.8094 2.8094 3.0108 3.0108 3.7243 3.7243 3.9920 3.9920 4.6735 4.6735 8.4430 8.4430 9.0359 9.0359 9.9431 9.9431 10.6321 10.6321 k = 0.0833 0.1443-0.0000 ( 3909 PWs) bands (ev): -21.4834 -21.4834 -21.4114 -21.4114 -8.1026 -8.1026 -6.3163 -6.3163 -6.0663 -6.0663 -5.5102 -5.5102 -5.4300 -5.4300 -5.1825 -5.1825 -5.1668 -5.1668 -0.7705 -0.7705 0.3128 0.3128 2.5947 2.5947 2.7621 2.7621 2.8064 2.8064 3.0101 3.0101 3.6972 3.6972 3.9923 3.9923 4.6737 4.6737 8.5114 8.5114 9.0483 9.0483 9.9673 9.9673 10.5978 10.5978 k = 0.0750 0.1299-0.0000 ( 3917 PWs) bands (ev): -21.4841 -21.4841 -21.4108 -21.4108 -8.0995 -8.0995 -6.3172 -6.3172 -6.0650 -6.0650 -5.5111 -5.5111 -5.4305 -5.4305 -5.1812 -5.1812 -5.1672 -5.1672 -0.7722 -0.7722 0.3083 0.3083 2.6065 2.6065 2.7573 2.7573 2.8031 2.8031 3.0095 3.0095 3.6712 3.6712 3.9925 3.9925 4.6739 4.6739 8.5805 8.5805 9.0598 9.0598 9.9902 9.9902 10.5659 10.5659 k = 0.0667 0.1155-0.0000 ( 3913 PWs) bands (ev): -21.4848 -21.4848 -21.4102 -21.4102 -8.0966 -8.0966 -6.3180 -6.3180 -6.0639 -6.0639 -5.5118 -5.5118 -5.4308 -5.4308 -5.1801 -5.1801 -5.1676 -5.1676 -0.7739 -0.7739 0.3042 0.3042 2.6188 2.6188 2.7527 2.7527 2.7996 2.7996 3.0089 3.0089 3.6466 3.6466 3.9927 3.9927 4.6739 4.6739 8.6493 8.6493 9.0705 9.0705 10.0104 10.0104 10.5376 10.5376 k = 0.0583 0.1010-0.0000 ( 3909 PWs) bands (ev): -21.4854 -21.4854 -21.4097 -21.4097 -8.0940 -8.0940 -6.3187 -6.3187 -6.0629 -6.0629 -5.5125 -5.5125 -5.4311 -5.4311 -5.1792 -5.1792 -5.1681 -5.1681 -0.7753 -0.7753 0.3005 0.3005 2.6316 2.6316 2.7483 2.7483 2.7957 2.7957 3.0083 3.0083 3.6237 3.6237 3.9928 3.9928 4.6740 4.6740 8.7169 8.7169 9.0801 9.0801 10.0266 10.0266 10.5140 10.5140 k = 0.0500 0.0866-0.0000 ( 3907 PWs) bands (ev): -21.4859 -21.4859 -21.4093 -21.4093 -8.0918 -8.0918 -6.3193 -6.3193 -6.0620 -6.0620 -5.5130 -5.5130 -5.4312 -5.4312 -5.1784 -5.1784 -5.1686 -5.1686 -0.7766 -0.7766 0.2972 0.2972 2.6445 2.6445 2.7441 2.7441 2.7915 2.7915 3.0078 3.0078 3.6030 3.6030 3.9928 3.9928 4.6739 4.6739 8.7820 8.7820 9.0886 9.0886 10.0375 10.0375 10.4964 10.4964 k = 0.0417 0.0722-0.0000 ( 3907 PWs) bands (ev): -21.4863 -21.4863 -21.4089 -21.4089 -8.0898 -8.0898 -6.3198 -6.3198 -6.0613 -6.0613 -5.5134 -5.5134 -5.4313 -5.4313 -5.1777 -5.1777 -5.1690 -5.1690 -0.7777 -0.7777 0.2944 0.2944 2.6573 2.6573 2.7400 2.7400 2.7871 2.7871 3.0074 3.0074 3.5848 3.5848 3.9928 3.9928 4.6739 4.6739 8.8430 8.8430 9.0959 9.0959 10.0422 10.0422 10.4854 10.4854 k = 0.0333 0.0577-0.0000 ( 3913 PWs) bands (ev): -21.4867 -21.4867 -21.4086 -21.4086 -8.0882 -8.0882 -6.3201 -6.3201 -6.0607 -6.0607 -5.5138 -5.5138 -5.4314 -5.4314 -5.1772 -5.1772 -5.1695 -5.1695 -0.7786 -0.7786 0.2921 0.2921 2.6698 2.6698 2.7359 2.7359 2.7826 2.7826 3.0070 3.0070 3.5693 3.5693 3.9929 3.9929 4.6738 4.6738 8.8980 8.8980 9.1018 9.1018 10.0411 10.0411 10.4810 10.4810 k = 0.0250 0.0433-0.0000 ( 3911 PWs) bands (ev): -21.4870 -21.4870 -21.4084 -21.4084 -8.0869 -8.0869 -6.3204 -6.3204 -6.0603 -6.0603 -5.5140 -5.5140 -5.4314 -5.4314 -5.1768 -5.1768 -5.1698 -5.1698 -0.7794 -0.7794 0.2902 0.2902 2.6817 2.6817 2.7317 2.7317 2.7783 2.7783 3.0067 3.0067 3.5569 3.5569 3.9929 3.9929 4.6738 4.6738 8.9448 8.9448 9.1061 9.1061 10.0358 10.0358 10.4818 10.4818 k = 0.0167 0.0289-0.0000 ( 3915 PWs) bands (ev): -21.4872 -21.4872 -21.4082 -21.4082 -8.0860 -8.0860 -6.3206 -6.3206 -6.0599 -6.0599 -5.5142 -5.5142 -5.4314 -5.4314 -5.1766 -5.1766 -5.1701 -5.1701 -0.7799 -0.7799 0.2889 0.2889 2.6926 2.6926 2.7269 2.7269 2.7747 2.7747 3.0065 3.0065 3.5478 3.5478 3.9928 3.9928 4.6737 4.6737 8.9812 8.9812 9.1088 9.1088 10.0290 10.0290 10.4855 10.4855 k = 0.0083 0.0144-0.0000 ( 3915 PWs) bands (ev): -21.4873 -21.4873 -21.4081 -21.4081 -8.0855 -8.0855 -6.3207 -6.3207 -6.0597 -6.0597 -5.5143 -5.5143 -5.4314 -5.4314 -5.1764 -5.1764 -5.1702 -5.1702 -0.7802 -0.7802 0.2881 0.2881 2.7020 2.7020 2.7216 2.7216 2.7722 2.7722 3.0064 3.0064 3.5423 3.5423 3.9928 3.9928 4.6737 4.6737 9.0045 9.0045 9.1100 9.1100 10.0234 10.0234 10.4893 10.4893 k = 0.0000 0.0000 0.0000 ( 3927 PWs) bands (ev): -21.4873 -21.4873 -21.4081 -21.4081 -8.0853 -8.0853 -6.3207 -6.3207 -6.0597 -6.0597 -5.5144 -5.5144 -5.4314 -5.4314 -5.1764 -5.1764 -5.1703 -5.1703 -0.7803 -0.7803 0.2879 0.2879 2.7070 2.7070 2.7181 2.7181 2.7713 2.7713 3.0064 3.0064 3.5405 3.5405 3.9928 3.9928 4.6737 4.6737 9.0126 9.0126 9.1103 9.1103 10.0213 10.0213 10.4909 10.4909 k = 0.0000 0.0000 0.0000 ( 3927 PWs) bands (ev): -21.4873 -21.4873 -21.4081 -21.4081 -8.0853 -8.0853 -6.3207 -6.3207 -6.0597 -6.0597 -5.5144 -5.5144 -5.4314 -5.4314 -5.1764 -5.1764 -5.1703 -5.1703 -0.7803 -0.7803 0.2879 0.2879 2.7070 2.7070 2.7181 2.7181 2.7713 2.7713 3.0064 3.0064 3.5405 3.5405 3.9928 3.9928 4.6737 4.6737 9.0126 9.0126 9.1103 9.1103 10.0213 10.0213 10.4909 10.4909 k = 0.0000 0.0000 0.0166 ( 3915 PWs) bands (ev): -21.4873 -21.4873 -21.4081 -21.4081 -8.0848 -8.0848 -6.3206 -6.3206 -6.0599 -6.0599 -5.5142 -5.5142 -5.4313 -5.4313 -5.1766 -5.1766 -5.1704 -5.1704 -0.7946 -0.7946 0.3036 0.3036 2.6440 2.6440 2.7533 2.7533 2.7812 2.7812 3.0242 3.0242 3.5430 3.5430 3.9950 3.9950 4.6737 4.6737 9.0072 9.0072 9.1187 9.1187 10.0005 10.0005 10.4534 10.4534 k = 0.0000 0.0000 0.0331 ( 3915 PWs) bands (ev): -21.4872 -21.4872 -21.4082 -21.4082 -8.0835 -8.0835 -6.3202 -6.3202 -6.0604 -6.0604 -5.5138 -5.5138 -5.4308 -5.4308 -5.1775 -5.1775 -5.1709 -5.1709 -0.8352 -0.8352 0.3485 0.3485 2.5764 2.5764 2.7103 2.7103 2.8492 2.8492 3.0670 3.0670 3.5507 3.5507 4.0017 4.0017 4.6736 4.6736 8.9946 8.9946 9.1400 9.1400 9.9446 9.9446 10.3697 10.3697 k = 0.0000 0.0000 0.0497 ( 3927 PWs) bands (ev): -21.4870 -21.4870 -21.4084 -21.4084 -8.0813 -8.0813 -6.3195 -6.3195 -6.0614 -6.0614 -5.5130 -5.5130 -5.4300 -5.4300 -5.1790 -5.1790 -5.1716 -5.1716 -0.8964 -0.8964 0.4169 0.4169 2.5097 2.5097 2.6562 2.6562 2.9161 2.9161 3.1203 3.1203 3.5640 3.5640 4.0130 4.0130 4.6735 4.6735 8.9800 8.9800 9.1692 9.1692 9.8661 9.8661 10.2694 10.2694 k = 0.0000 0.0000 0.0663 ( 3926 PWs) bands (ev): -21.4867 -21.4867 -21.4087 -21.4087 -8.0782 -8.0782 -6.3186 -6.3186 -6.0627 -6.0627 -5.5119 -5.5119 -5.4289 -5.4289 -5.1810 -5.1810 -5.1727 -5.1727 -0.9721 -0.9721 0.5025 0.5025 2.4442 2.4442 2.5981 2.5981 2.9810 2.9810 3.1767 3.1767 3.5833 3.5833 4.0295 4.0295 4.6734 4.6734 8.9656 8.9656 9.2036 9.2036 9.7747 9.7747 10.1624 10.1624 k = 0.0000 0.0000 0.0829 ( 3926 PWs) bands (ev): -21.4863 -21.4863 -21.4090 -21.4090 -8.0743 -8.0743 -6.3173 -6.3173 -6.0644 -6.0644 -5.5106 -5.5106 -5.4275 -5.4275 -5.1836 -5.1836 -5.1740 -5.1740 -1.0572 -1.0572 0.6004 0.6004 2.3803 2.3803 2.5387 2.5387 3.0428 3.0428 3.2328 3.2328 3.6094 3.6094 4.0518 4.0518 4.6732 4.6732 8.9524 8.9524 9.2420 9.2420 9.6764 9.6764 10.0524 10.0524 k = 0.0000 0.0000 0.0994 ( 3926 PWs) bands (ev): -21.4858 -21.4858 -21.4095 -21.4095 -8.0695 -8.0695 -6.3159 -6.3159 -6.0664 -6.0664 -5.5089 -5.5089 -5.4258 -5.4258 -5.1867 -5.1867 -5.1757 -5.1757 -1.1481 -1.1481 0.7066 0.7066 2.3181 2.3181 2.4794 2.4794 3.1004 3.1004 3.2867 3.2867 3.6431 3.6431 4.0804 4.0804 4.6731 4.6731 8.9406 8.9406 9.2833 9.2833 9.5751 9.5751 9.9408 9.9408 k = 0.0000 0.0000 0.1160 ( 3926 PWs) bands (ev): -21.4853 -21.4853 -21.4099 -21.4099 -8.0640 -8.0640 -6.3141 -6.3141 -6.0688 -6.0688 -5.5069 -5.5069 -5.4238 -5.4238 -5.1903 -5.1903 -5.1776 -5.1776 -1.2421 -1.2421 0.8186 0.8186 2.2577 2.2577 2.4208 2.4208 3.1530 3.1530 3.3369 3.3369 3.6850 3.6850 4.1159 4.1159 4.6729 4.6729 8.9297 8.9297 9.3241 9.3241 9.4762 9.4762 9.8281 9.8281 k = 0.0000 0.0000 0.1326 ( 3932 PWs) bands (ev): -21.4847 -21.4847 -21.4105 -21.4105 -8.0578 -8.0578 -6.3121 -6.3121 -6.0715 -6.0715 -5.5046 -5.5046 -5.4215 -5.4215 -5.1945 -5.1945 -5.1798 -5.1798 -1.3375 -1.3375 0.9345 0.9345 2.1993 2.1993 2.3636 2.3636 3.1999 3.1999 3.3825 3.3825 3.7354 3.7354 4.1589 4.1589 4.6727 4.6727 8.9192 8.9192 9.3283 9.3283 9.4174 9.4174 9.7148 9.7148 k = 0.0000 0.0000 0.1492 ( 3932 PWs) bands (ev): -21.4840 -21.4840 -21.4111 -21.4111 -8.0509 -8.0509 -6.3098 -6.3098 -6.0746 -6.0746 -5.5020 -5.5020 -5.4189 -5.4189 -5.1991 -5.1991 -5.1822 -5.1822 -1.4330 -1.4330 1.0527 1.0527 2.1430 2.1430 2.3079 2.3079 3.2412 3.2412 3.4228 3.4228 3.7940 3.7940 4.2094 4.2094 4.6726 4.6726 8.9074 8.9074 9.2458 9.2458 9.4511 9.4511 9.6011 9.6011 k = 0.0000 0.0000 0.1657 ( 3944 PWs) bands (ev): -21.4833 -21.4833 -21.4118 -21.4118 -8.0434 -8.0434 -6.3073 -6.3073 -6.0780 -6.0780 -5.4991 -5.4991 -5.4160 -5.4160 -5.2042 -5.2042 -5.1850 -5.1850 -1.5277 -1.5277 1.1722 1.1722 2.0890 2.0890 2.2541 2.2541 3.2773 3.2773 3.4578 3.4578 3.8600 3.8600 4.2675 4.2675 4.6725 4.6725 8.8905 8.8905 9.1527 9.1527 9.4871 9.4871 9.5051 9.5051 k = 0.0000 0.0000 0.1823 ( 3944 PWs) bands (ev): -21.4825 -21.4825 -21.4126 -21.4126 -8.0353 -8.0353 -6.3045 -6.3045 -6.0817 -6.0817 -5.4958 -5.4958 -5.4129 -5.4129 -5.2098 -5.2098 -5.1879 -5.1879 -1.6208 -1.6208 1.2920 1.2920 2.0375 2.0375 2.2021 2.2021 3.3090 3.3090 3.4877 3.4877 3.9324 3.9324 4.3325 4.3325 4.6726 4.6726 8.8598 8.8598 9.0724 9.0724 9.3730 9.3730 9.5650 9.5650 k = 0.0000 0.0000 0.1989 ( 3950 PWs) bands (ev): -21.4816 -21.4816 -21.4134 -21.4134 -8.0268 -8.0268 -6.3014 -6.3014 -6.0857 -6.0857 -5.4923 -5.4923 -5.4096 -5.4096 -5.2158 -5.2158 -5.1912 -5.1912 -1.7119 -1.7119 1.4112 1.4112 1.9886 1.9886 2.1523 2.1523 3.3369 3.3369 3.5128 3.5128 4.0101 4.0101 4.4040 4.4040 4.6728 4.6728 8.8027 8.8027 9.0192 9.0192 9.2589 9.2589 9.6288 9.6288 k = 0.0000 0.0000 0.2155 ( 3932 PWs) bands (ev): -21.4807 -21.4807 -21.4142 -21.4142 -8.0178 -8.0178 -6.2981 -6.2981 -6.0900 -6.0900 -5.4885 -5.4885 -5.4060 -5.4060 -5.2221 -5.2221 -5.1946 -5.1946 -1.8003 -1.8003 1.5287 1.5287 1.9430 1.9430 2.1046 2.1046 3.3618 3.3618 3.5337 3.5337 4.0919 4.0919 4.4810 4.4810 4.6733 4.6733 8.7194 8.7194 8.9937 8.9937 9.1450 9.1450 9.6961 9.6961 k = 0.0000 0.0000 0.2320 ( 3920 PWs) bands (ev): -21.4797 -21.4797 -21.4151 -21.4151 -8.0086 -8.0086 -6.2945 -6.2945 -6.0946 -6.0946 -5.4843 -5.4843 -5.4021 -5.4021 -5.2289 -5.2289 -5.1983 -5.1983 -1.8859 -1.8859 1.6421 1.6421 1.9023 1.9023 2.0591 2.0591 3.3844 3.3844 3.5511 3.5511 4.1766 4.1766 4.5627 4.5627 4.6743 4.6743 8.6219 8.6219 8.9839 8.9839 9.0312 9.0312 9.7665 9.7665 k = 0.0000 0.0000 0.2486 ( 3920 PWs) bands (ev): -21.4787 -21.4787 -21.4161 -21.4161 -7.9991 -7.9991 -6.2908 -6.2908 -6.0994 -6.0994 -5.4799 -5.4799 -5.3981 -5.3981 -5.2359 -5.2359 -5.2022 -5.2022 -1.9681 -1.9681 1.7418 1.7418 1.8757 1.8757 2.0160 2.0160 3.4050 3.4050 3.5655 3.5655 4.2632 4.2632 4.6484 4.6484 4.6760 4.6760 8.5182 8.5182 8.9179 8.9179 8.9819 8.9819 9.8396 9.8396 k = 0.0000 0.0000 0.2652 ( 3920 PWs) bands (ev): -21.4776 -21.4776 -21.4171 -21.4171 -7.9896 -7.9896 -6.2868 -6.2868 -6.1044 -6.1044 -5.4751 -5.4751 -5.3939 -5.3939 -5.2433 -5.2433 -5.2063 -5.2063 -2.0468 -2.0468 1.7784 1.7784 1.9120 1.9120 1.9753 1.9753 3.4239 3.4239 3.5774 3.5774 4.3503 4.3503 4.6791 4.6791 4.7371 4.7371 8.4123 8.4123 8.8051 8.8051 8.9841 8.9841 9.9150 9.9150 k = 0.0000 0.0000 0.2818 ( 3902 PWs) bands (ev): -21.4765 -21.4765 -21.4181 -21.4181 -7.9799 -7.9799 -6.2825 -6.2825 -6.1097 -6.1097 -5.4701 -5.4701 -5.3895 -5.3895 -5.2509 -5.2509 -5.2105 -5.2105 -2.1216 -2.1216 1.7562 1.7562 1.9370 1.9370 2.0065 2.0065 3.4414 3.4414 3.5873 3.5873 4.4357 4.4357 4.6851 4.6851 4.8282 4.8282 8.3057 8.3057 8.6931 8.6931 8.9888 8.9888 9.9922 9.9922 k = 0.0000 0.0000 0.2983 ( 3896 PWs) bands (ev): -21.4754 -21.4754 -21.4191 -21.4191 -7.9704 -7.9704 -6.2781 -6.2781 -6.1151 -6.1151 -5.4647 -5.4647 -5.3850 -5.3850 -5.2588 -5.2588 -5.2149 -5.2149 -2.1924 -2.1924 1.7253 1.7253 1.9012 1.9012 2.1085 2.1085 3.4575 3.4575 3.5956 3.5956 4.5152 4.5152 4.6977 4.6977 4.9209 4.9209 8.1996 8.1996 8.5823 8.5823 8.9951 8.9951 10.0705 10.0705 k = 0.0000 0.0000 0.3149 ( 3884 PWs) bands (ev): -21.4743 -21.4743 -21.4202 -21.4202 -7.9610 -7.9610 -6.2734 -6.2734 -6.1207 -6.1207 -5.4590 -5.4590 -5.3803 -5.3803 -5.2669 -5.2669 -5.2194 -5.2194 -2.2589 -2.2589 1.6944 1.6944 1.8679 1.8679 2.2087 2.2087 3.4722 3.4722 3.6025 3.6025 4.5784 4.5784 4.7266 4.7266 5.0146 5.0146 8.0947 8.0947 8.4728 8.4728 9.0025 9.0025 10.1491 10.1491 k = 0.0000 0.0000 0.3315 ( 3884 PWs) bands (ev): -21.4731 -21.4731 -21.4213 -21.4213 -7.9519 -7.9519 -6.2686 -6.2686 -6.1265 -6.1265 -5.4531 -5.4531 -5.3756 -5.3756 -5.2751 -5.2751 -5.2240 -5.2240 -2.3209 -2.3209 1.6651 1.6651 1.8372 1.8372 2.3049 2.3049 3.4857 3.4857 3.6082 3.6082 4.6146 4.6146 4.7819 4.7819 5.1085 5.1085 7.9915 7.9915 8.3651 8.3651 9.0107 9.0107 10.2266 10.2266 k = 0.0000 0.0000 0.3481 ( 3884 PWs) bands (ev): -21.4720 -21.4720 -21.4223 -21.4223 -7.9432 -7.9432 -6.2636 -6.2636 -6.1324 -6.1324 -5.4469 -5.4469 -5.3708 -5.3708 -5.2835 -5.2835 -5.2287 -5.2287 -2.3781 -2.3781 1.6380 1.6380 1.8091 1.8091 2.3960 2.3960 3.4978 3.4978 3.6130 3.6130 4.6306 4.6306 4.8560 4.8560 5.2019 5.2019 7.8909 7.8909 8.2598 8.2598 9.0192 9.0192 10.3016 10.3016 k = 0.0000 0.0000 0.3646 ( 3890 PWs) bands (ev): -21.4709 -21.4709 -21.4234 -21.4234 -7.9350 -7.9350 -6.2584 -6.2584 -6.1383 -6.1383 -5.4404 -5.4404 -5.3659 -5.3659 -5.2921 -5.2921 -5.2334 -5.2334 -2.4305 -2.4305 1.6132 1.6132 1.7835 1.7835 2.4814 2.4814 3.5086 3.5086 3.6170 3.6170 4.6380 4.6380 4.9367 4.9367 5.2938 5.2938 7.7935 7.7935 8.1576 8.1576 9.0278 9.0278 10.3721 10.3721 k = 0.0000 0.0000 0.3812 ( 3902 PWs) bands (ev): -21.4699 -21.4699 -21.4244 -21.4244 -7.9273 -7.9273 -6.2532 -6.2532 -6.1444 -6.1444 -5.4337 -5.4337 -5.3612 -5.3612 -5.3007 -5.3007 -5.2380 -5.2380 -2.4779 -2.4779 1.5910 1.5910 1.7606 1.7606 2.5602 2.5602 3.5180 3.5180 3.6203 3.6203 4.6418 4.6418 5.0180 5.0180 5.3833 5.3833 7.7002 7.7002 8.0591 8.0591 9.0362 9.0362 10.4356 10.4356 k = 0.0000 0.0000 0.3978 ( 3884 PWs) bands (ev): -21.4689 -21.4689 -21.4253 -21.4253 -7.9203 -7.9203 -6.2478 -6.2478 -6.1504 -6.1504 -5.4267 -5.4267 -5.3565 -5.3565 -5.3094 -5.3094 -5.2426 -5.2426 -2.5201 -2.5201 1.5712 1.5712 1.7404 1.7404 2.6319 2.6319 3.5260 3.5260 3.6231 3.6231 4.6440 4.6440 5.0968 5.0968 5.4693 5.4693 7.6121 7.6121 7.9656 7.9656 9.0443 9.0443 10.4899 10.4899 k = 0.0000 0.0000 0.4144 ( 3896 PWs) bands (ev): -21.4679 -21.4679 -21.4262 -21.4262 -7.9140 -7.9140 -6.2424 -6.2424 -6.1564 -6.1564 -5.4195 -5.4195 -5.3520 -5.3520 -5.3181 -5.3181 -5.2470 -5.2470 -2.5570 -2.5570 1.5541 1.5541 1.7228 1.7228 2.6957 2.6957 3.5327 3.5327 3.6253 3.6253 4.6453 4.6453 5.1711 5.1711 5.5502 5.5502 7.5304 7.5304 7.8784 7.8784 9.0517 9.0517 10.5330 10.5330 k = 0.0000 0.0000 0.4309 ( 3884 PWs) bands (ev): -21.4671 -21.4671 -21.4270 -21.4270 -7.9086 -7.9086 -6.2370 -6.2370 -6.1623 -6.1623 -5.4121 -5.4121 -5.3478 -5.3478 -5.3268 -5.3268 -5.2511 -5.2511 -2.5884 -2.5884 1.5395 1.5395 1.7079 1.7079 2.7511 2.7511 3.5380 3.5380 3.6271 3.6271 4.6461 4.6461 5.2390 5.2390 5.6244 5.6244 7.4566 7.4566 7.7990 7.7990 9.0584 9.0584 10.5646 10.5646 k = 0.0000 0.0000 0.4475 ( 3884 PWs) bands (ev): -21.4664 -21.4664 -21.4277 -21.4277 -7.9040 -7.9040 -6.2318 -6.2318 -6.1679 -6.1679 -5.4046 -5.4046 -5.3440 -5.3440 -5.3354 -5.3354 -5.2549 -5.2549 -2.6142 -2.6142 1.5276 1.5276 1.6957 1.6957 2.7974 2.7974 3.5422 3.5422 3.6286 3.6286 4.6466 4.6466 5.2986 5.2986 5.6898 5.6898 7.3923 7.3923 7.7293 7.7293 9.0641 9.0641 10.5855 10.5855 k = 0.0000 0.0000 0.4641 ( 3890 PWs) bands (ev): -21.4658 -21.4658 -21.4283 -21.4283 -7.9004 -7.9004 -6.2270 -6.2270 -6.1731 -6.1731 -5.3969 -5.3969 -5.3439 -5.3439 -5.3407 -5.3407 -5.2581 -5.2581 -2.6344 -2.6344 1.5183 1.5183 1.6862 1.6862 2.8341 2.8341 3.5452 3.5452 3.6296 3.6296 4.6470 4.6470 5.3479 5.3479 5.7443 5.7443 7.3395 7.3395 7.6716 7.6716 9.0687 9.0687 10.5982 10.5982 k = 0.0000 0.0000 0.4807 ( 3890 PWs) bands (ev): -21.4653 -21.4653 -21.4287 -21.4287 -7.8978 -7.8978 -6.2228 -6.2228 -6.1776 -6.1776 -5.3894 -5.3894 -5.3521 -5.3521 -5.3382 -5.3382 -5.2605 -5.2605 -2.6489 -2.6489 1.5116 1.5116 1.6794 1.6794 2.8607 2.8607 3.5472 3.5472 3.6304 3.6304 4.6472 4.6472 5.3849 5.3849 5.7855 5.7855 7.3000 7.3000 7.6281 7.6281 9.0721 9.0721 10.6051 10.6051 k = 0.0000 0.0000 0.4972 ( 3884 PWs) bands (ev): -21.4651 -21.4651 -21.4289 -21.4289 -7.8962 -7.8962 -6.2198 -6.2198 -6.1807 -6.1807 -5.3824 -5.3824 -5.3594 -5.3594 -5.3366 -5.3366 -5.2621 -5.2621 -2.6576 -2.6576 1.5076 1.5076 1.6753 1.6753 2.8769 2.8769 3.5483 3.5483 3.6308 3.6308 4.6473 4.6473 5.4079 5.4079 5.8112 5.8112 7.2755 7.2755 7.6010 7.6010 9.0741 9.0741 10.6084 10.6084 k = 0.0000 0.0000 0.5138 ( 3884 PWs) bands (ev): -21.4650 -21.4650 -21.4290 -21.4290 -7.8957 -7.8957 -6.2186 -6.2186 -6.1819 -6.1819 -5.3788 -5.3788 -5.3632 -5.3632 -5.3361 -5.3361 -5.2626 -5.2626 -2.6605 -2.6605 1.5063 1.5063 1.6739 1.6739 2.8823 2.8823 3.5487 3.5487 3.6310 3.6310 4.6473 4.6473 5.4158 5.4158 5.8200 5.8200 7.2672 7.2672 7.5918 7.5918 9.0748 9.0748 10.6093 10.6093 k = 0.0000 0.0000 0.5138 ( 3884 PWs) bands (ev): -21.4650 -21.4650 -21.4290 -21.4290 -7.8957 -7.8957 -6.2186 -6.2186 -6.1819 -6.1819 -5.3788 -5.3788 -5.3632 -5.3632 -5.3361 -5.3361 -5.2626 -5.2626 -2.6605 -2.6605 1.5063 1.5063 1.6739 1.6739 2.8823 2.8823 3.5487 3.5487 3.6310 3.6310 4.6473 4.6473 5.4158 5.4158 5.8200 5.8200 7.2672 7.2672 7.5918 7.5918 9.0748 9.0748 10.6093 10.6093 k = 0.0147 0.0085 0.5138 ( 3882 PWs) bands (ev): -21.4650 -21.4650 -21.4290 -21.4290 -7.8959 -7.8959 -6.2189 -6.2189 -6.1817 -6.1817 -5.3792 -5.3792 -5.3646 -5.3646 -5.3344 -5.3344 -5.2624 -5.2624 -2.6602 -2.6602 1.5064 1.5064 1.6740 1.6740 2.8827 2.8827 3.5492 3.5492 3.6309 3.6309 4.6473 4.6473 5.4157 5.4157 5.8200 5.8200 7.2671 7.2671 7.5916 7.5916 9.0766 9.0766 10.6102 10.6102 k = 0.0294 0.0170 0.5138 ( 3874 PWs) bands (ev): -21.4649 -21.4649 -21.4291 -21.4291 -7.8964 -7.8964 -6.2198 -6.2198 -6.1812 -6.1812 -5.3806 -5.3806 -5.3680 -5.3680 -5.3302 -5.3302 -5.2615 -5.2615 -2.6594 -2.6594 1.5066 1.5066 1.6741 1.6741 2.8838 2.8838 3.5506 3.5506 3.6308 3.6308 4.6474 4.6474 5.4156 5.4156 5.8199 5.8199 7.2666 7.2666 7.5909 7.5909 9.0820 9.0820 10.6130 10.6130 k = 0.0441 0.0255 0.5138 ( 3880 PWs) bands (ev): -21.4648 -21.4648 -21.4291 -21.4291 -7.8973 -7.8973 -6.2212 -6.2212 -6.1804 -6.1804 -5.3835 -5.3835 -5.3717 -5.3717 -5.3248 -5.3248 -5.2602 -5.2602 -2.6581 -2.6581 1.5069 1.5069 1.6742 1.6742 2.8856 2.8856 3.5529 3.5529 3.6306 3.6306 4.6475 4.6475 5.4155 5.4155 5.8198 5.8198 7.2657 7.2657 7.5898 7.5898 9.0910 9.0910 10.6173 10.6173 k = 0.0588 0.0340 0.5138 ( 3896 PWs) bands (ev): -21.4647 -21.4647 -21.4292 -21.4292 -7.8985 -7.8985 -6.2231 -6.2231 -6.1793 -6.1793 -5.3879 -5.3879 -5.3746 -5.3746 -5.3188 -5.3188 -5.2583 -5.2583 -2.6564 -2.6564 1.5073 1.5073 1.6744 1.6744 2.8880 2.8880 3.5561 3.5561 3.6303 3.6303 4.6477 4.6477 5.4153 5.4153 5.8196 5.8196 7.2640 7.2640 7.5886 7.5886 9.1036 9.1036 10.6230 10.6230 k = 0.0735 0.0425 0.5138 ( 3900 PWs) bands (ev): -21.4645 -21.4645 -21.4293 -21.4293 -7.9000 -7.9000 -6.2254 -6.2254 -6.1782 -6.1782 -5.3935 -5.3935 -5.3769 -5.3769 -5.3126 -5.3126 -5.2561 -5.2561 -2.6541 -2.6541 1.5078 1.5078 1.6748 1.6748 2.8911 2.8911 3.5603 3.5603 3.6300 3.6300 4.6480 4.6480 5.4150 5.4150 5.8194 5.8194 7.2615 7.2615 7.5875 7.5875 9.1196 9.1196 10.6294 10.6294 k = 0.0882 0.0509 0.5138 ( 3896 PWs) bands (ev): -21.4643 -21.4643 -21.4295 -21.4295 -7.9018 -7.9018 -6.2279 -6.2279 -6.1769 -6.1769 -5.3998 -5.3998 -5.3788 -5.3788 -5.3064 -5.3064 -5.2534 -5.2534 -2.6514 -2.6514 1.5083 1.5083 1.6753 1.6753 2.8949 2.8949 3.5653 3.5653 3.6296 3.6296 4.6483 4.6483 5.4147 5.4147 5.8192 5.8192 7.2578 7.2578 7.5869 7.5869 9.1392 9.1392 10.6363 10.6363 k = 0.1029 0.0594 0.5138 ( 3892 PWs) bands (ev): -21.4640 -21.4640 -21.4296 -21.4296 -7.9039 -7.9039 -6.2307 -6.2307 -6.1756 -6.1756 -5.4064 -5.4064 -5.3805 -5.3805 -5.3002 -5.3002 -5.2503 -5.2503 -2.6482 -2.6482 1.5088 1.5088 1.6760 1.6760 2.8992 2.8992 3.5712 3.5712 3.6293 3.6293 4.6487 4.6487 5.4144 5.4144 5.8189 5.8189 7.2526 7.2526 7.5872 7.5872 9.1620 9.1620 10.6430 10.6430 k = 0.1176 0.0679 0.5138 ( 3904 PWs) bands (ev): -21.4637 -21.4637 -21.4298 -21.4298 -7.9063 -7.9063 -6.2337 -6.2337 -6.1743 -6.1743 -5.4132 -5.4132 -5.3822 -5.3822 -5.2943 -5.2943 -5.2470 -5.2470 -2.6445 -2.6445 1.5093 1.5093 1.6768 1.6768 2.9040 2.9040 3.5778 3.5778 3.6290 3.6290 4.6491 4.6491 5.4140 5.4140 5.8186 5.8186 7.2454 7.2454 7.5886 7.5886 9.1882 9.1882 10.6489 10.6489 k = 0.1324 0.0764 0.5138 ( 3904 PWs) bands (ev): -21.4634 -21.4634 -21.4300 -21.4300 -7.9089 -7.9089 -6.2369 -6.2369 -6.1731 -6.1731 -5.4200 -5.4200 -5.3838 -5.3838 -5.2885 -5.2885 -5.2433 -5.2433 -2.6405 -2.6405 1.5097 1.5097 1.6780 1.6780 2.9093 2.9093 3.5852 3.5852 3.6288 3.6288 4.6496 4.6496 5.4136 5.4136 5.8183 5.8183 7.2362 7.2362 7.5916 7.5916 9.2175 9.2175 10.6538 10.6538 k = 0.1471 0.0849 0.5138 ( 3914 PWs) bands (ev): -21.4630 -21.4630 -21.4303 -21.4303 -7.9118 -7.9118 -6.2402 -6.2402 -6.1719 -6.1719 -5.4269 -5.4269 -5.3852 -5.3852 -5.2831 -5.2831 -5.2394 -5.2394 -2.6362 -2.6362 1.5099 1.5099 1.6794 1.6794 2.9151 2.9151 3.5930 3.5930 3.6290 3.6290 4.6502 4.6502 5.4133 5.4133 5.8180 5.8180 7.2245 7.2245 7.5963 7.5963 9.2497 9.2497 10.6572 10.6572 k = 0.1618 0.0934 0.5138 ( 3918 PWs) bands (ev): -21.4626 -21.4626 -21.4305 -21.4305 -7.9148 -7.9148 -6.2435 -6.2435 -6.1709 -6.1709 -5.4337 -5.4337 -5.3865 -5.3865 -5.2780 -5.2780 -5.2352 -5.2352 -2.6314 -2.6314 1.5100 1.5100 1.6812 1.6812 2.9212 2.9212 3.6009 3.6009 3.6300 3.6300 4.6509 4.6509 5.4129 5.4129 5.8177 5.8177 7.2105 7.2105 7.6028 7.6028 9.2847 9.2847 10.6589 10.6589 k = 0.1765 0.1019 0.5138 ( 3916 PWs) bands (ev): -21.4622 -21.4622 -21.4308 -21.4308 -7.9180 -7.9180 -6.2469 -6.2469 -6.1699 -6.1699 -5.4405 -5.4405 -5.3877 -5.3877 -5.2733 -5.2733 -5.2307 -5.2307 -2.6264 -2.6264 1.5099 1.5099 1.6833 1.6833 2.9276 2.9276 3.6078 3.6078 3.6327 3.6327 4.6516 4.6516 5.4127 5.4127 5.8174 5.8174 7.1939 7.1939 7.6113 7.6113 9.3223 9.3223 10.6588 10.6588 k = 0.1912 0.1104 0.5138 ( 3924 PWs) bands (ev): -21.4617 -21.4617 -21.4311 -21.4311 -7.9214 -7.9214 -6.2503 -6.2503 -6.1691 -6.1691 -5.4472 -5.4472 -5.3886 -5.3886 -5.2690 -5.2690 -5.2260 -5.2260 -2.6212 -2.6212 1.5096 1.5096 1.6857 1.6857 2.9342 2.9342 3.6125 3.6125 3.6384 3.6384 4.6524 4.6524 5.4124 5.4124 5.8171 5.8171 7.1751 7.1751 7.6216 7.6216 9.3621 9.3621 10.6569 10.6569 k = 0.2059 0.1189 0.5138 ( 3924 PWs) bands (ev): -21.4612 -21.4612 -21.4315 -21.4315 -7.9248 -7.9248 -6.2537 -6.2537 -6.1683 -6.1683 -5.4537 -5.4537 -5.3894 -5.3894 -5.2653 -5.2653 -5.2211 -5.2211 -2.6157 -2.6157 1.5091 1.5091 1.6885 1.6885 2.9411 2.9411 3.6148 3.6148 3.6472 3.6472 4.6533 4.6533 5.4123 5.4123 5.8169 5.8169 7.1540 7.1540 7.6337 7.6337 9.4038 9.4038 10.6535 10.6535 k = 0.2206 0.1274 0.5138 ( 3914 PWs) bands (ev): -21.4607 -21.4607 -21.4318 -21.4318 -7.9283 -7.9283 -6.2571 -6.2571 -6.1677 -6.1677 -5.4602 -5.4602 -5.3900 -5.3900 -5.2621 -5.2621 -5.2159 -5.2159 -2.6101 -2.6101 1.5084 1.5084 1.6916 1.6916 2.9480 2.9480 3.6156 3.6156 3.6583 3.6583 4.6542 4.6542 5.4122 5.4122 5.8167 5.8167 7.1311 7.1311 7.6472 7.6472 9.4471 9.4471 10.6487 10.6487 k = 0.2353 0.1358 0.5138 ( 3914 PWs) bands (ev): -21.4601 -21.4601 -21.4322 -21.4322 -7.9319 -7.9319 -6.2604 -6.2604 -6.1672 -6.1672 -5.4666 -5.4666 -5.3904 -5.3904 -5.2593 -5.2593 -5.2106 -5.2106 -2.6043 -2.6043 1.5075 1.5075 1.6950 1.6950 2.9550 2.9550 3.6156 3.6156 3.6706 3.6706 4.6553 4.6553 5.4123 5.4123 5.8165 5.8165 7.1064 7.1064 7.6621 7.6621 9.4916 9.4916 10.6427 10.6427 k = 0.2500 0.1443 0.5138 ( 3906 PWs) bands (ev): -21.4596 -21.4596 -21.4326 -21.4326 -7.9354 -7.9354 -6.2637 -6.2637 -6.1668 -6.1668 -5.4727 -5.4727 -5.3906 -5.3906 -5.2571 -5.2571 -5.2052 -5.2052 -2.5985 -2.5985 1.5063 1.5063 1.6986 1.6986 2.9619 2.9619 3.6152 3.6152 3.6839 3.6839 4.6563 4.6563 5.4124 5.4124 5.8164 5.8164 7.0803 7.0803 7.6780 7.6780 9.5368 9.5368 10.6356 10.6356 k = 0.2647 0.1528 0.5138 ( 3910 PWs) bands (ev): -21.4590 -21.4590 -21.4330 -21.4330 -7.9390 -7.9390 -6.2668 -6.2668 -6.1666 -6.1666 -5.4787 -5.4787 -5.3906 -5.3906 -5.2553 -5.2553 -5.1997 -5.1997 -2.5927 -2.5927 1.5050 1.5050 1.7025 1.7025 2.9688 2.9688 3.6147 3.6147 3.6979 3.6979 4.6574 4.6574 5.4126 5.4126 5.8163 5.8163 7.0531 7.0531 7.6947 7.6947 9.5822 9.5822 10.6256 10.6256 k = 0.2794 0.1613 0.5138 ( 3910 PWs) bands (ev): -21.4584 -21.4584 -21.4334 -21.4334 -7.9425 -7.9425 -6.2698 -6.2698 -6.1664 -6.1664 -5.4845 -5.4845 -5.3905 -5.3905 -5.2539 -5.2539 -5.1942 -5.1942 -2.5869 -2.5869 1.5036 1.5036 1.7065 1.7065 2.9756 2.9756 3.6140 3.6140 3.7122 3.7122 4.6586 4.6586 5.4130 5.4130 5.8162 5.8162 7.0251 7.0251 7.7120 7.7120 9.6273 9.6273 10.6078 10.6078 k = 0.2941 0.1698 0.5138 ( 3910 PWs) bands (ev): -21.4578 -21.4578 -21.4339 -21.4339 -7.9459 -7.9459 -6.2727 -6.2727 -6.1663 -6.1663 -5.4900 -5.4900 -5.3901 -5.3901 -5.2529 -5.2529 -5.1887 -5.1887 -2.5812 -2.5812 1.5020 1.5020 1.7105 1.7105 2.9822 2.9822 3.6134 3.6134 3.7268 3.7268 4.6598 4.6598 5.4135 5.4135 5.8162 5.8162 6.9967 6.9967 7.7296 7.7296 9.6714 9.6714 10.5805 10.5805 k = 0.3088 0.1783 0.5138 ( 3910 PWs) bands (ev): -21.4572 -21.4572 -21.4343 -21.4343 -7.9492 -7.9492 -6.2755 -6.2755 -6.1663 -6.1663 -5.4953 -5.4953 -5.3897 -5.3897 -5.2523 -5.2523 -5.1834 -5.1834 -2.5756 -2.5756 1.5004 1.5004 1.7147 1.7147 2.9886 2.9886 3.6127 3.6127 3.7416 3.7416 4.6610 4.6610 5.4141 5.4141 5.8162 5.8162 6.9680 6.9680 7.7472 7.7472 9.7140 9.7140 10.5490 10.5490 k = 0.3235 0.1868 0.5138 ( 3902 PWs) bands (ev): -21.4566 -21.4566 -21.4348 -21.4348 -7.9524 -7.9524 -6.2781 -6.2781 -6.1664 -6.1664 -5.5003 -5.5003 -5.3891 -5.3891 -5.2520 -5.2520 -5.1782 -5.1782 -2.5702 -2.5702 1.4987 1.4987 1.7188 1.7188 2.9947 2.9947 3.6120 3.6120 3.7562 3.7562 4.6622 4.6622 5.4148 5.4148 5.8163 5.8163 6.9396 6.9396 7.7647 7.7647 9.7547 9.7547 10.5165 10.5165 k = 0.3382 0.1953 0.5138 ( 3900 PWs) bands (ev): -21.4559 -21.4559 -21.4353 -21.4353 -7.9554 -7.9554 -6.2805 -6.2805 -6.1666 -6.1666 -5.5050 -5.5050 -5.3884 -5.3884 -5.2519 -5.2519 -5.1732 -5.1732 -2.5650 -2.5650 1.4971 1.4971 1.7228 1.7228 3.0004 3.0004 3.6114 3.6114 3.7706 3.7706 4.6634 4.6634 5.4156 5.4156 5.8164 5.8164 6.9116 6.9116 7.7819 7.7819 9.7928 9.7928 10.4839 10.4839 k = 0.3529 0.2038 0.5138 ( 3908 PWs) bands (ev): -21.4553 -21.4553 -21.4357 -21.4357 -7.9582 -7.9582 -6.2827 -6.2827 -6.1667 -6.1667 -5.5094 -5.5094 -5.3876 -5.3876 -5.2521 -5.2521 -5.1684 -5.1684 -2.5601 -2.5601 1.4954 1.4954 1.7267 1.7267 3.0058 3.0058 3.6107 3.6107 3.7847 3.7847 4.6646 4.6646 5.4165 5.4165 5.8165 5.8165 6.8844 6.8844 7.7984 7.7984 9.8281 9.8281 10.4517 10.4517 k = 0.3676 0.2123 0.5138 ( 3912 PWs) bands (ev): -21.4547 -21.4547 -21.4362 -21.4362 -7.9609 -7.9609 -6.2847 -6.2847 -6.1670 -6.1670 -5.5134 -5.5134 -5.3868 -5.3868 -5.2524 -5.2524 -5.1640 -5.1640 -2.5556 -2.5556 1.4938 1.4938 1.7304 1.7304 3.0108 3.0108 3.6102 3.6102 3.7981 3.7981 4.6658 4.6658 5.4174 5.4174 5.8167 5.8167 6.8584 6.8584 7.8141 7.8141 9.8604 9.8604 10.4203 10.4203 k = 0.3824 0.2208 0.5138 ( 3920 PWs) bands (ev): -21.4541 -21.4541 -21.4367 -21.4367 -7.9633 -7.9633 -6.2866 -6.2866 -6.1672 -6.1672 -5.5171 -5.5171 -5.3860 -5.3860 -5.2529 -5.2529 -5.1599 -5.1599 -2.5514 -2.5514 1.4922 1.4922 1.7339 1.7339 3.0153 3.0153 3.6096 3.6096 3.8108 3.8108 4.6668 4.6668 5.4184 5.4184 5.8169 5.8169 6.8340 6.8340 7.8287 7.8287 9.8895 9.8895 10.3900 10.3900 k = 0.3971 0.2292 0.5138 ( 3922 PWs) bands (ev): -21.4536 -21.4536 -21.4371 -21.4371 -7.9655 -7.9655 -6.2882 -6.2882 -6.1674 -6.1674 -5.5204 -5.5204 -5.3852 -5.3852 -5.2534 -5.2534 -5.1561 -5.1561 -2.5476 -2.5476 1.4908 1.4908 1.7371 1.7371 3.0194 3.0194 3.6092 3.6092 3.8225 3.8225 4.6679 4.6679 5.4194 5.4194 5.8170 5.8170 6.8115 6.8115 7.8422 7.8422 9.9155 9.9155 10.3612 10.3612 k = 0.4118 0.2377 0.5138 ( 3914 PWs) bands (ev): -21.4531 -21.4531 -21.4376 -21.4376 -7.9674 -7.9674 -6.2896 -6.2896 -6.1677 -6.1677 -5.5233 -5.5233 -5.3844 -5.3844 -5.2540 -5.2540 -5.1528 -5.1528 -2.5442 -2.5442 1.4896 1.4896 1.7399 1.7399 3.0230 3.0230 3.6087 3.6087 3.8330 3.8330 4.6688 4.6688 5.4204 5.4204 5.8172 5.8172 6.7911 6.7911 7.8542 7.8542 9.9386 9.9386 10.3343 10.3343 k = 0.4265 0.2462 0.5138 ( 3914 PWs) bands (ev): -21.4526 -21.4526 -21.4379 -21.4379 -7.9690 -7.9690 -6.2908 -6.2908 -6.1679 -6.1679 -5.5258 -5.5258 -5.3837 -5.3837 -5.2545 -5.2545 -5.1500 -5.1500 -2.5413 -2.5413 1.4885 1.4885 1.7424 1.7424 3.0261 3.0261 3.6084 3.6084 3.8423 3.8423 4.6696 4.6696 5.4213 5.4213 5.8174 5.8174 6.7733 6.7733 7.8647 7.8647 9.9588 9.9588 10.3097 10.3097 k = 0.4412 0.2547 0.5138 ( 3910 PWs) bands (ev): -21.4522 -21.4522 -21.4383 -21.4383 -7.9704 -7.9704 -6.2918 -6.2918 -6.1681 -6.1681 -5.5278 -5.5278 -5.3831 -5.3831 -5.2551 -5.2551 -5.1476 -5.1476 -2.5389 -2.5389 1.4875 1.4875 1.7444 1.7444 3.0286 3.0286 3.6081 3.6081 3.8501 3.8501 4.6703 4.6703 5.4221 5.4221 5.8176 5.8176 6.7583 6.7583 7.8735 7.8735 9.9761 9.9761 10.2880 10.2880 k = 0.4559 0.2632 0.5138 ( 3914 PWs) bands (ev): -21.4518 -21.4518 -21.4386 -21.4386 -7.9715 -7.9715 -6.2926 -6.2926 -6.1682 -6.1682 -5.5294 -5.5294 -5.3825 -5.3825 -5.2555 -5.2555 -5.1457 -5.1457 -2.5370 -2.5370 1.4868 1.4868 1.7460 1.7460 3.0306 3.0306 3.6079 3.6079 3.8563 3.8563 4.6709 4.6709 5.4227 5.4227 5.8177 5.8177 6.7464 6.7464 7.8805 7.8805 9.9903 9.9903 10.2697 10.2697 k = 0.4706 0.2717 0.5138 ( 3910 PWs) bands (ev): -21.4516 -21.4516 -21.4388 -21.4388 -7.9723 -7.9723 -6.2932 -6.2932 -6.1684 -6.1684 -5.5305 -5.5305 -5.3822 -5.3822 -5.2558 -5.2558 -5.1444 -5.1444 -2.5356 -2.5356 1.4863 1.4863 1.7472 1.7472 3.0320 3.0320 3.6077 3.6077 3.8608 3.8608 4.6713 4.6713 5.4232 5.4232 5.8178 5.8178 6.7377 6.7377 7.8855 7.8855 10.0012 10.0012 10.2558 10.2558 k = 0.4853 0.2802 0.5138 ( 3906 PWs) bands (ev): -21.4514 -21.4514 -21.4389 -21.4389 -7.9727 -7.9727 -6.2935 -6.2935 -6.1684 -6.1684 -5.5312 -5.5312 -5.3819 -5.3819 -5.2561 -5.2561 -5.1436 -5.1436 -2.5348 -2.5348 1.4860 1.4860 1.7479 1.7479 3.0329 3.0329 3.6076 3.6076 3.8636 3.8636 4.6715 4.6715 5.4235 5.4235 5.8178 5.8178 6.7324 6.7324 7.8886 7.8886 10.0080 10.0080 10.2470 10.2470 k = 0.5000 0.2887 0.5138 ( 3904 PWs) bands (ev): -21.4514 -21.4514 -21.4390 -21.4390 -7.9729 -7.9729 -6.2936 -6.2936 -6.1684 -6.1684 -5.5315 -5.5315 -5.3819 -5.3819 -5.2561 -5.2561 -5.1433 -5.1433 -2.5345 -2.5345 1.4858 1.4858 1.7482 1.7482 3.0332 3.0332 3.6076 3.6076 3.8645 3.8645 4.6716 4.6716 5.4236 5.4236 5.8179 5.8179 6.7306 6.7306 7.8896 7.8896 10.0104 10.0104 10.2439 10.2439 k = 0.5000 0.2887 0.5138 ( 3904 PWs) bands (ev): -21.4514 -21.4514 -21.4390 -21.4390 -7.9729 -7.9729 -6.2936 -6.2936 -6.1684 -6.1684 -5.5315 -5.5315 -5.3819 -5.3819 -5.2561 -5.2561 -5.1433 -5.1433 -2.5345 -2.5345 1.4858 1.4858 1.7482 1.7482 3.0332 3.0332 3.6076 3.6076 3.8645 3.8645 4.6716 4.6716 5.4236 5.4236 5.8179 5.8179 6.7306 6.7306 7.8896 7.8896 10.0104 10.0104 10.2439 10.2439 k = 0.4917 0.3031 0.5138 ( 3908 PWs) bands (ev): -21.4514 -21.4514 -21.4390 -21.4390 -7.9729 -7.9729 -6.2935 -6.2935 -6.1687 -6.1687 -5.5314 -5.5314 -5.3817 -5.3817 -5.2562 -5.2562 -5.1433 -5.1433 -2.5344 -2.5344 1.4862 1.4862 1.7479 1.7479 3.0333 3.0333 3.6077 3.6077 3.8648 3.8648 4.6716 4.6716 5.4234 5.4234 5.8176 5.8176 6.7323 6.7323 7.8869 7.8869 10.0113 10.0113 10.2421 10.2421 k = 0.4833 0.3175 0.5138 ( 3904 PWs) bands (ev): -21.4513 -21.4513 -21.4390 -21.4390 -7.9730 -7.9730 -6.2933 -6.2933 -6.1693 -6.1693 -5.5313 -5.5313 -5.3811 -5.3811 -5.2565 -5.2565 -5.1435 -5.1435 -2.5340 -2.5340 1.4872 1.4872 1.7469 1.7469 3.0336 3.0336 3.6079 3.6079 3.8655 3.8655 4.6716 4.6716 5.4229 5.4229 5.8168 5.8168 6.7372 6.7372 7.8789 7.8789 10.0142 10.0142 10.2366 10.2366 k = 0.4750 0.3320 0.5138 ( 3904 PWs) bands (ev): -21.4512 -21.4512 -21.4391 -21.4391 -7.9732 -7.9732 -6.2930 -6.2930 -6.1703 -6.1703 -5.5311 -5.5311 -5.3802 -5.3802 -5.2569 -5.2569 -5.1438 -5.1438 -2.5333 -2.5333 1.4888 1.4888 1.7454 1.7454 3.0341 3.0341 3.6083 3.6083 3.8667 3.8667 4.6716 4.6716 5.4219 5.4219 5.8156 5.8156 6.7454 6.7454 7.8657 7.8657 10.0189 10.0189 10.2280 10.2280 k = 0.4667 0.3464 0.5138 ( 3908 PWs) bands (ev): -21.4511 -21.4511 -21.4392 -21.4392 -7.9735 -7.9735 -6.2925 -6.2925 -6.1717 -6.1717 -5.5309 -5.5309 -5.3789 -5.3789 -5.2576 -5.2576 -5.1442 -5.1442 -2.5325 -2.5325 1.4910 1.4910 1.7432 1.7432 3.0348 3.0348 3.6088 3.6088 3.8684 3.8684 4.6716 4.6716 5.4207 5.4207 5.8139 5.8139 6.7566 6.7566 7.8476 7.8476 10.0253 10.0253 10.2167 10.2167 k = 0.4583 0.3608 0.5138 ( 3904 PWs) bands (ev): -21.4509 -21.4509 -21.4394 -21.4394 -7.9738 -7.9738 -6.2919 -6.2919 -6.1734 -6.1734 -5.5306 -5.5306 -5.3773 -5.3773 -5.2585 -5.2585 -5.1447 -5.1447 -2.5314 -2.5314 1.4938 1.4938 1.7406 1.7406 3.0356 3.0356 3.6095 3.6095 3.8706 3.8706 4.6716 4.6716 5.4191 5.4191 5.8118 5.8118 6.7708 6.7708 7.8250 7.8250 10.0332 10.0332 10.2036 10.2036 k = 0.4500 0.3753 0.5138 ( 3904 PWs) bands (ev): -21.4507 -21.4507 -21.4395 -21.4395 -7.9742 -7.9742 -6.2912 -6.2912 -6.1754 -6.1754 -5.5304 -5.5304 -5.3752 -5.3752 -5.2595 -5.2595 -5.1452 -5.1452 -2.5301 -2.5301 1.4971 1.4971 1.7374 1.7374 3.0366 3.0366 3.6102 3.6102 3.8732 3.8732 4.6716 4.6716 5.4174 5.4174 5.8094 5.8094 6.7877 6.7877 7.7984 7.7984 10.0423 10.0423 10.1892 10.1892 k = 0.4417 0.3897 0.5138 ( 3910 PWs) bands (ev): -21.4505 -21.4505 -21.4397 -21.4397 -7.9747 -7.9747 -6.2904 -6.2904 -6.1777 -6.1777 -5.5303 -5.5303 -5.3727 -5.3727 -5.2608 -5.2608 -5.1458 -5.1458 -2.5286 -2.5286 1.5009 1.5009 1.7338 1.7338 3.0378 3.0378 3.6110 3.6110 3.8761 3.8761 4.6716 4.6716 5.4154 5.4154 5.8067 5.8067 6.8071 6.8071 7.7682 7.7682 10.0522 10.0522 10.1743 10.1743 k = 0.4333 0.4041 0.5138 ( 3910 PWs) bands (ev): -21.4502 -21.4502 -21.4400 -21.4400 -7.9752 -7.9752 -6.2895 -6.2895 -6.1801 -6.1801 -5.5303 -5.5303 -5.3699 -5.3699 -5.2623 -5.2623 -5.1465 -5.1465 -2.5271 -2.5271 1.5050 1.5050 1.7298 1.7298 3.0390 3.0390 3.6119 3.6119 3.8794 3.8794 4.6716 4.6716 5.4134 5.4134 5.8039 5.8039 6.8288 6.8288 7.7351 7.7351 10.0626 10.0626 10.1593 10.1593 k = 0.4250 0.4186 0.5138 ( 3906 PWs) bands (ev): -21.4499 -21.4499 -21.4402 -21.4402 -7.9757 -7.9757 -6.2886 -6.2886 -6.1828 -6.1828 -5.5303 -5.5303 -5.3667 -5.3667 -5.2640 -5.2640 -5.1471 -5.1471 -2.5254 -2.5254 1.5096 1.5096 1.7256 1.7256 3.0403 3.0403 3.6127 3.6127 3.8831 3.8831 4.6716 4.6716 5.4114 5.4114 5.8010 5.8010 6.8525 6.8525 7.6995 7.6995 10.0729 10.0729 10.1450 10.1450 k = 0.4167 0.4330 0.5138 ( 3902 PWs) bands (ev): -21.4496 -21.4496 -21.4405 -21.4405 -7.9762 -7.9762 -6.2875 -6.2875 -6.1854 -6.1854 -5.5305 -5.5305 -5.3632 -5.3632 -5.2659 -5.2659 -5.1477 -5.1477 -2.5236 -2.5236 1.5143 1.5143 1.7211 1.7211 3.0417 3.0417 3.6136 3.6136 3.8869 3.8869 4.6716 4.6716 5.4093 5.4093 5.7980 5.7980 6.8779 6.8779 7.6621 7.6621 10.0823 10.0823 10.1318 10.1318 k = 0.4083 0.4474 0.5138 ( 3890 PWs) bands (ev): -21.4492 -21.4492 -21.4409 -21.4409 -7.9768 -7.9768 -6.2865 -6.2865 -6.1882 -6.1882 -5.5308 -5.5308 -5.3594 -5.3594 -5.2680 -5.2680 -5.1482 -5.1482 -2.5219 -2.5219 1.5191 1.5191 1.7166 1.7166 3.0431 3.0431 3.6144 3.6144 3.8909 3.8909 4.6716 4.6716 5.4074 5.4074 5.7951 5.7951 6.9046 6.9046 7.6236 7.6236 10.0898 10.0898 10.1209 10.1209 k = 0.4000 0.4619 0.5138 ( 3894 PWs) bands (ev): -21.4489 -21.4489 -21.4412 -21.4412 -7.9773 -7.9773 -6.2854 -6.2854 -6.1908 -6.1908 -5.5312 -5.5312 -5.3555 -5.3555 -5.2703 -5.2703 -5.1487 -5.1487 -2.5201 -2.5201 1.5239 1.5239 1.7121 1.7121 3.0444 3.0444 3.6152 3.6152 3.8949 3.8949 4.6716 4.6716 5.4055 5.4055 5.7922 5.7922 6.9323 6.9323 7.5846 7.5846 10.0926 10.0926 10.1146 10.1146 k = 0.3917 0.4763 0.5138 ( 3890 PWs) bands (ev): -21.4484 -21.4484 -21.4416 -21.4416 -7.9779 -7.9779 -6.2844 -6.2844 -6.1934 -6.1934 -5.5316 -5.5316 -5.3515 -5.3515 -5.2728 -5.2728 -5.1491 -5.1491 -2.5185 -2.5185 1.5286 1.5286 1.7077 1.7077 3.0458 3.0458 3.6159 3.6159 3.8990 3.8990 4.6716 4.6716 5.4038 5.4038 5.7895 5.7895 6.9604 6.9604 7.5458 7.5458 10.0890 10.0890 10.1144 10.1144 k = 0.3833 0.4907 0.5138 ( 3890 PWs) bands (ev): -21.4480 -21.4480 -21.4420 -21.4420 -7.9784 -7.9784 -6.2834 -6.2834 -6.1957 -6.1957 -5.5322 -5.5322 -5.3475 -5.3475 -5.2753 -5.2753 -5.1495 -5.1495 -2.5169 -2.5169 1.5330 1.5330 1.7036 1.7036 3.0470 3.0470 3.6166 3.6166 3.9028 3.9028 4.6716 4.6716 5.4023 5.4023 5.7871 5.7871 6.9885 6.9885 7.5080 7.5080 10.0832 10.0832 10.1163 10.1163 k = 0.3750 0.5052 0.5138 ( 3884 PWs) bands (ev): -21.4475 -21.4475 -21.4424 -21.4424 -7.9789 -7.9789 -6.2825 -6.2825 -6.1979 -6.1979 -5.5327 -5.5327 -5.3436 -5.3436 -5.2778 -5.2778 -5.1497 -5.1497 -2.5155 -2.5155 1.5370 1.5370 1.6999 1.6999 3.0481 3.0481 3.6171 3.6171 3.9064 3.9064 4.6716 4.6716 5.4010 5.4010 5.7849 5.7849 7.0158 7.0158 7.4720 7.4720 10.0782 10.0782 10.1171 10.1171 k = 0.3667 0.5196 0.5138 ( 3884 PWs) bands (ev): -21.4471 -21.4471 -21.4429 -21.4429 -7.9793 -7.9793 -6.2817 -6.2817 -6.1997 -6.1997 -5.5332 -5.5332 -5.3400 -5.3400 -5.2802 -5.2802 -5.1499 -5.1499 -2.5142 -2.5142 1.5404 1.5404 1.6967 1.6967 3.0492 3.0492 3.6175 3.6175 3.9097 3.9097 4.6716 4.6716 5.4000 5.4000 5.7831 5.7831 7.0415 7.0415 7.4391 7.4391 10.0747 10.0747 10.1163 10.1163 k = 0.3583 0.5340 0.5138 ( 3884 PWs) bands (ev): -21.4466 -21.4466 -21.4434 -21.4434 -7.9797 -7.9797 -6.2811 -6.2811 -6.2012 -6.2012 -5.5336 -5.5336 -5.3370 -5.3370 -5.2823 -5.2823 -5.1500 -5.1500 -2.5132 -2.5132 1.5432 1.5432 1.6941 1.6941 3.0500 3.0500 3.6179 3.6179 3.9124 3.9124 4.6716 4.6716 5.3992 5.3992 5.7816 5.7816 7.0642 7.0642 7.4105 7.4105 10.0733 10.0733 10.1137 10.1137 k = 0.3500 0.5485 0.5138 ( 3884 PWs) bands (ev): -21.4460 -21.4460 -21.4439 -21.4439 -7.9800 -7.9800 -6.2806 -6.2806 -6.2023 -6.2023 -5.5340 -5.5340 -5.3345 -5.3345 -5.2841 -5.2841 -5.1500 -5.1500 -2.5125 -2.5125 1.5453 1.5453 1.6922 1.6922 3.0506 3.0506 3.6181 3.6181 3.9145 3.9145 4.6717 4.6717 5.3986 5.3986 5.7806 5.7806 7.0824 7.0824 7.3881 7.3881 10.0737 10.0737 10.1099 10.1099 k = 0.3417 0.5629 0.5138 ( 3880 PWs) bands (ev): -21.4455 -21.4455 -21.4444 -21.4444 -7.9801 -7.9801 -6.2803 -6.2803 -6.2030 -6.2030 -5.5342 -5.5342 -5.3330 -5.3330 -5.2852 -5.2852 -5.1501 -5.1501 -2.5120 -2.5120 1.5465 1.5465 1.6912 1.6912 3.0510 3.0510 3.6182 3.6182 3.9158 3.9158 4.6717 4.6717 5.3983 5.3983 5.7799 5.7799 7.0941 7.0941 7.3737 7.3737 10.0755 10.0755 10.1057 10.1057 k = 0.3333 0.5774 0.5138 ( 3876 PWs) bands (ev): -21.4450 -21.4450 -21.4449 -21.4449 -7.9802 -7.9802 -6.2802 -6.2802 -6.2032 -6.2032 -5.5343 -5.5343 -5.3325 -5.3325 -5.2856 -5.2856 -5.1501 -5.1501 -2.5118 -2.5118 1.5469 1.5469 1.6908 1.6908 3.0511 3.0511 3.6183 3.6183 3.9163 3.9163 4.6717 4.6717 5.3982 5.3982 5.7797 5.7797 7.0981 7.0981 7.3689 7.3689 10.0768 10.0768 10.1035 10.1035 k = 0.3333 0.5774 0.5138 ( 3876 PWs) bands (ev): -21.4450 -21.4450 -21.4449 -21.4449 -7.9802 -7.9802 -6.2802 -6.2802 -6.2032 -6.2032 -5.5343 -5.5343 -5.3325 -5.3325 -5.2856 -5.2856 -5.1501 -5.1501 -2.5118 -2.5118 1.5469 1.5469 1.6908 1.6908 3.0511 3.0511 3.6183 3.6183 3.9163 3.9163 4.6717 4.6717 5.3982 5.3982 5.7797 5.7797 7.0981 7.0981 7.3689 7.3689 10.0768 10.0768 10.1035 10.1035 k = 0.3250 0.5629 0.5138 ( 3882 PWs) bands (ev): -21.4455 -21.4455 -21.4444 -21.4444 -7.9801 -7.9801 -6.2803 -6.2803 -6.2030 -6.2030 -5.5342 -5.5342 -5.3330 -5.3330 -5.2852 -5.2852 -5.1501 -5.1501 -2.5120 -2.5120 1.5465 1.5465 1.6911 1.6911 3.0510 3.0510 3.6182 3.6182 3.9158 3.9158 4.6717 4.6717 5.3983 5.3983 5.7799 5.7799 7.0945 7.0945 7.3734 7.3734 10.0746 10.0746 10.1067 10.1067 k = 0.3167 0.5485 0.5138 ( 3878 PWs) bands (ev): -21.4461 -21.4461 -21.4438 -21.4438 -7.9799 -7.9799 -6.2806 -6.2806 -6.2023 -6.2023 -5.5339 -5.5339 -5.3345 -5.3345 -5.2841 -5.2841 -5.1501 -5.1501 -2.5125 -2.5125 1.5455 1.5455 1.6921 1.6921 3.0505 3.0505 3.6181 3.6181 3.9142 3.9142 4.6716 4.6716 5.3986 5.3986 5.7806 5.7806 7.0849 7.0849 7.3856 7.3856 10.0686 10.0686 10.1159 10.1159 k = 0.3083 0.5340 0.5138 ( 3878 PWs) bands (ev): -21.4467 -21.4467 -21.4432 -21.4432 -7.9795 -7.9795 -6.2809 -6.2809 -6.2013 -6.2013 -5.5334 -5.5334 -5.3368 -5.3368 -5.2825 -5.2825 -5.1503 -5.1503 -2.5134 -2.5134 1.5438 1.5438 1.6935 1.6935 3.0498 3.0498 3.6179 3.6179 3.9116 3.9116 4.6716 4.6716 5.3990 5.3990 5.7816 5.7816 7.0719 7.0719 7.4030 7.4030 10.0606 10.0606 10.1295 10.1295 k = 0.3000 0.5196 0.5138 ( 3878 PWs) bands (ev): -21.4473 -21.4473 -21.4426 -21.4426 -7.9790 -7.9790 -6.2814 -6.2814 -6.1999 -6.1999 -5.5327 -5.5327 -5.3397 -5.3397 -5.2804 -5.2804 -5.1506 -5.1506 -2.5147 -2.5147 1.5416 1.5416 1.6952 1.6952 3.0487 3.0487 3.6177 3.6177 3.9077 3.9077 4.6714 4.6714 5.3996 5.3996 5.7829 5.7829 7.0575 7.0575 7.4237 7.4237 10.0516 10.0516 10.1464 10.1464 k = 0.2917 0.5052 0.5138 ( 3872 PWs) bands (ev): -21.4480 -21.4480 -21.4420 -21.4420 -7.9783 -7.9783 -6.2818 -6.2818 -6.1982 -6.1982 -5.5317 -5.5317 -5.3430 -5.3430 -5.2782 -5.2782 -5.1510 -5.1510 -2.5164 -2.5164 1.5391 1.5391 1.6972 1.6972 3.0472 3.0472 3.6175 3.6175 3.9027 3.9027 4.6713 4.6713 5.4003 5.4003 5.7846 5.7846 7.0431 7.0431 7.4459 7.4459 10.0420 10.0420 10.1664 10.1664 k = 0.2833 0.4907 0.5138 ( 3884 PWs) bands (ev): -21.4486 -21.4486 -21.4414 -21.4414 -7.9774 -7.9774 -6.2823 -6.2823 -6.1963 -6.1963 -5.5305 -5.5305 -5.3465 -5.3465 -5.2758 -5.2758 -5.1516 -5.1516 -2.5184 -2.5184 1.5364 1.5364 1.6993 1.6993 3.0453 3.0453 3.6172 3.6172 3.8964 3.8964 4.6710 4.6710 5.4011 5.4011 5.7866 5.7866 7.0298 7.0298 7.4686 7.4686 10.0319 10.0319 10.1892 10.1892 k = 0.2750 0.4763 0.5138 ( 3884 PWs) bands (ev): -21.4493 -21.4493 -21.4408 -21.4408 -7.9763 -7.9763 -6.2827 -6.2827 -6.1942 -6.1942 -5.5290 -5.5290 -5.3503 -5.3503 -5.2734 -5.2734 -5.1525 -5.1525 -2.5209 -2.5209 1.5336 1.5336 1.7013 1.7013 3.0431 3.0431 3.6169 3.6169 3.8890 3.8890 4.6707 4.6707 5.4019 5.4019 5.7887 5.7887 7.0183 7.0183 7.4910 7.4910 10.0213 10.0213 10.2146 10.2146 k = 0.2667 0.4619 0.5138 ( 3888 PWs) bands (ev): -21.4499 -21.4499 -21.4403 -21.4403 -7.9750 -7.9750 -6.2830 -6.2830 -6.1920 -6.1920 -5.5273 -5.5273 -5.3540 -5.3540 -5.2711 -5.2711 -5.1536 -5.1536 -2.5238 -2.5238 1.5307 1.5307 1.7031 1.7031 3.0405 3.0405 3.6166 3.6166 3.8804 3.8804 4.6703 4.6703 5.4027 5.4027 5.7910 5.7910 7.0089 7.0089 7.5126 7.5126 10.0098 10.0098 10.2423 10.2423 k = 0.2583 0.4474 0.5138 ( 3888 PWs) bands (ev): -21.4506 -21.4506 -21.4397 -21.4397 -7.9735 -7.9735 -6.2831 -6.2831 -6.1897 -6.1897 -5.5253 -5.5253 -5.3578 -5.3578 -5.2689 -5.2689 -5.1550 -5.1550 -2.5270 -2.5270 1.5280 1.5280 1.7048 1.7048 3.0375 3.0375 3.6164 3.6164 3.8707 3.8707 4.6698 4.6698 5.4036 5.4036 5.7933 5.7933 7.0019 7.0019 7.5331 7.5331 9.9971 9.9971 10.2720 10.2720 k = 0.2500 0.4330 0.5138 ( 3900 PWs) bands (ev): -21.4513 -21.4513 -21.4391 -21.4391 -7.9718 -7.9718 -6.2831 -6.2831 -6.1873 -6.1873 -5.5230 -5.5230 -5.3615 -5.3615 -5.2667 -5.2667 -5.1567 -5.1567 -2.5306 -2.5306 1.5253 1.5253 1.7061 1.7061 3.0340 3.0340 3.6161 3.6161 3.8599 3.8599 4.6692 4.6692 5.4044 5.4044 5.7957 5.7957 6.9975 6.9975 7.5520 7.5520 9.9828 9.9828 10.3035 10.3035 k = 0.2417 0.4186 0.5138 ( 3908 PWs) bands (ev): -21.4520 -21.4520 -21.4385 -21.4385 -7.9699 -7.9699 -6.2829 -6.2829 -6.1850 -6.1850 -5.5205 -5.5205 -5.3651 -5.3651 -5.2647 -5.2647 -5.1588 -5.1588 -2.5346 -2.5346 1.5228 1.5228 1.7071 1.7071 3.0302 3.0302 3.6159 3.6159 3.8483 3.8483 4.6685 4.6685 5.4052 5.4052 5.7980 5.7980 6.9956 6.9956 7.5692 7.5692 9.9662 9.9662 10.3362 10.3362 k = 0.2333 0.4041 0.5138 ( 3898 PWs) bands (ev): -21.4526 -21.4526 -21.4379 -21.4379 -7.9678 -7.9678 -6.2824 -6.2824 -6.1827 -6.1827 -5.5176 -5.5176 -5.3685 -5.3685 -5.2629 -5.2629 -5.1612 -5.1612 -2.5389 -2.5389 1.5206 1.5206 1.7078 1.7078 3.0261 3.0261 3.6158 3.6158 3.8358 3.8358 4.6677 4.6677 5.4060 5.4060 5.8003 5.8003 6.9963 6.9963 7.5845 7.5845 9.9468 9.9468 10.3696 10.3696 k = 0.2250 0.3897 0.5138 ( 3898 PWs) bands (ev): -21.4533 -21.4533 -21.4374 -21.4374 -7.9655 -7.9655 -6.2817 -6.2817 -6.1805 -6.1805 -5.5145 -5.5145 -5.3718 -5.3718 -5.2613 -5.2613 -5.1639 -5.1639 -2.5435 -2.5435 1.5185 1.5185 1.7081 1.7081 3.0215 3.0215 3.6157 3.6157 3.8226 3.8226 4.6668 4.6668 5.4067 5.4067 5.8024 5.8024 6.9994 6.9994 7.5978 7.5978 9.9240 9.9240 10.4031 10.4031 k = 0.2167 0.3753 0.5138 ( 3902 PWs) bands (ev): -21.4540 -21.4540 -21.4368 -21.4368 -7.9630 -7.9630 -6.2808 -6.2808 -6.1784 -6.1784 -5.5111 -5.5111 -5.3748 -5.3748 -5.2598 -5.2598 -5.1669 -5.1669 -2.5483 -2.5483 1.5168 1.5168 1.7080 1.7080 3.0166 3.0166 3.6157 3.6157 3.8087 3.8087 4.6659 4.6659 5.4073 5.4073 5.8044 5.8044 7.0049 7.0049 7.6091 7.6091 9.8976 9.8976 10.4360 10.4360 k = 0.2083 0.3608 0.5138 ( 3910 PWs) bands (ev): -21.4547 -21.4547 -21.4363 -21.4363 -7.9604 -7.9604 -6.2797 -6.2797 -6.1765 -6.1765 -5.5075 -5.5075 -5.3776 -5.3776 -5.2586 -5.2586 -5.1703 -5.1703 -2.5535 -2.5535 1.5152 1.5152 1.7074 1.7074 3.0113 3.0113 3.6157 3.6157 3.7945 3.7945 4.6649 4.6649 5.4079 5.4079 5.8062 5.8062 7.0126 7.0126 7.6182 7.6182 9.8672 9.8672 10.4674 10.4674 k = 0.2000 0.3464 0.5138 ( 3914 PWs) bands (ev): -21.4554 -21.4554 -21.4357 -21.4357 -7.9575 -7.9575 -6.2782 -6.2782 -6.1748 -6.1748 -5.5035 -5.5035 -5.3802 -5.3802 -5.2577 -5.2577 -5.1741 -5.1741 -2.5589 -2.5589 1.5140 1.5140 1.7066 1.7066 3.0058 3.0058 3.6158 3.6158 3.7798 3.7798 4.6638 4.6638 5.4084 5.4084 5.8078 5.8078 7.0223 7.0223 7.6253 7.6253 9.8331 9.8331 10.4965 10.4965 k = 0.1917 0.3320 0.5138 ( 3922 PWs) bands (ev): -21.4560 -21.4560 -21.4352 -21.4352 -7.9545 -7.9545 -6.2766 -6.2766 -6.1732 -6.1732 -5.4993 -5.4993 -5.3824 -5.3824 -5.2570 -5.2570 -5.1781 -5.1781 -2.5644 -2.5644 1.5130 1.5130 1.7053 1.7053 2.9998 2.9998 3.6159 3.6159 3.7650 3.7650 4.6627 4.6627 5.4088 5.4088 5.8093 5.8093 7.0338 7.0338 7.6304 7.6304 9.7954 9.7954 10.5224 10.5224 k = 0.1833 0.3175 0.5138 ( 3914 PWs) bands (ev): -21.4567 -21.4567 -21.4347 -21.4347 -7.9514 -7.9514 -6.2747 -6.2747 -6.1719 -6.1719 -5.4948 -5.4948 -5.3844 -5.3844 -5.2566 -5.2566 -5.1824 -5.1824 -2.5701 -2.5701 1.5122 1.5122 1.7038 1.7038 2.9937 2.9937 3.6161 3.6161 3.7500 3.7500 4.6616 4.6616 5.4092 5.4092 5.8106 5.8106 7.0469 7.0469 7.6335 7.6335 9.7547 9.7547 10.5449 10.5449 k = 0.1750 0.3031 0.5138 ( 3914 PWs) bands (ev): -21.4573 -21.4573 -21.4342 -21.4342 -7.9481 -7.9481 -6.2725 -6.2725 -6.1708 -6.1708 -5.4901 -5.4901 -5.3861 -5.3861 -5.2565 -5.2565 -5.1870 -5.1870 -2.5760 -2.5760 1.5117 1.5117 1.7020 1.7020 2.9873 2.9873 3.6164 3.6164 3.7351 3.7351 4.6604 4.6604 5.4096 5.4096 5.8117 5.8117 7.0613 7.0613 7.6348 7.6348 9.7117 9.7117 10.5650 10.5650 k = 0.1667 0.2887 0.5138 ( 3918 PWs) bands (ev): -21.4580 -21.4580 -21.4338 -21.4338 -7.9448 -7.9448 -6.2702 -6.2702 -6.1699 -6.1699 -5.4852 -5.4852 -5.3874 -5.3874 -5.2568 -5.2568 -5.1917 -5.1917 -2.5819 -2.5819 1.5113 1.5113 1.7000 1.7000 2.9807 2.9807 3.6167 3.6167 3.7204 3.7204 4.6593 4.6593 5.4099 5.4099 5.8127 5.8127 7.0767 7.0767 7.6345 7.6345 9.6669 9.6669 10.5839 10.5839 k = 0.1583 0.2742 0.5138 ( 3916 PWs) bands (ev): -21.4586 -21.4586 -21.4333 -21.4333 -7.9414 -7.9414 -6.2676 -6.2676 -6.1692 -6.1692 -5.4800 -5.4800 -5.3885 -5.3885 -5.2575 -5.2575 -5.1967 -5.1967 -2.5879 -2.5879 1.5111 1.5111 1.6978 1.6978 2.9739 2.9739 3.6170 3.6170 3.7059 3.7059 4.6581 4.6581 5.4102 5.4102 5.8135 5.8135 7.0930 7.0930 7.6326 7.6326 9.6210 9.6210 10.6017 10.6017 k = 0.1500 0.2598 0.5138 ( 3914 PWs) bands (ev): -21.4592 -21.4592 -21.4329 -21.4329 -7.9379 -7.9379 -6.2649 -6.2649 -6.1687 -6.1687 -5.4746 -5.4746 -5.3892 -5.3892 -5.2586 -5.2586 -5.2017 -5.2017 -2.5938 -2.5938 1.5109 1.5109 1.6954 1.6954 2.9671 2.9671 3.6173 3.6173 3.6918 3.6918 4.6570 4.6570 5.4105 5.4105 5.8142 5.8142 7.1099 7.1099 7.6295 7.6295 9.5746 9.5746 10.6175 10.6175 k = 0.1417 0.2454 0.5138 ( 3914 PWs) bands (ev): -21.4597 -21.4597 -21.4325 -21.4325 -7.9344 -7.9344 -6.2620 -6.2620 -6.1685 -6.1685 -5.4689 -5.4689 -5.3896 -5.3896 -5.2601 -5.2601 -5.2069 -5.2069 -2.5998 -2.5998 1.5109 1.5109 1.6930 1.6930 2.9602 2.9602 3.6176 3.6176 3.6782 3.6782 4.6560 4.6560 5.4109 5.4109 5.8149 5.8149 7.1270 7.1270 7.6253 7.6253 9.5284 9.5284 10.6306 10.6306 k = 0.1333 0.2309 0.5138 ( 3902 PWs) bands (ev): -21.4603 -21.4603 -21.4321 -21.4321 -7.9308 -7.9308 -6.2590 -6.2590 -6.1685 -6.1685 -5.4631 -5.4631 -5.3898 -5.3898 -5.2621 -5.2621 -5.2120 -5.2120 -2.6056 -2.6056 1.5109 1.5109 1.6907 1.6907 2.9532 2.9532 3.6176 3.6176 3.6654 3.6654 4.6549 4.6549 5.4112 5.4112 5.8155 5.8155 7.1441 7.1441 7.6204 7.6204 9.4827 9.4827 10.6411 10.6411 k = 0.1250 0.2165 0.5138 ( 3914 PWs) bands (ev): -21.4608 -21.4608 -21.4317 -21.4317 -7.9273 -7.9273 -6.2558 -6.2558 -6.1687 -6.1687 -5.4572 -5.4572 -5.3896 -5.3896 -5.2645 -5.2645 -5.2171 -5.2171 -2.6113 -2.6113 1.5109 1.5109 1.6883 1.6883 2.9463 2.9463 3.6173 3.6173 3.6536 3.6536 4.6540 4.6540 5.4115 5.4115 5.8160 5.8160 7.1608 7.1608 7.6151 7.6151 9.4382 9.4382 10.6491 10.6491 k = 0.1167 0.2021 0.5138 ( 3914 PWs) bands (ev): -21.4613 -21.4613 -21.4314 -21.4314 -7.9239 -7.9239 -6.2526 -6.2526 -6.1691 -6.1691 -5.4510 -5.4510 -5.3892 -5.3892 -5.2675 -5.2675 -5.2221 -5.2221 -2.6169 -2.6169 1.5109 1.5109 1.6860 1.6860 2.9394 2.9394 3.6161 3.6161 3.6433 3.6433 4.6531 4.6531 5.4118 5.4118 5.8164 5.8164 7.1770 7.1770 7.6095 7.6095 9.3951 9.3951 10.6548 10.6548 k = 0.1083 0.1876 0.5138 ( 3912 PWs) bands (ev): -21.4618 -21.4618 -21.4311 -21.4311 -7.9206 -7.9206 -6.2493 -6.2493 -6.1696 -6.1696 -5.4447 -5.4447 -5.3884 -5.3884 -5.2710 -5.2710 -5.2269 -5.2269 -2.6223 -2.6223 1.5108 1.5108 1.6839 1.6839 2.9328 2.9328 3.6130 3.6130 3.6355 3.6355 4.6522 4.6522 5.4121 5.4121 5.8168 5.8168 7.1923 7.1923 7.6041 7.6041 9.3539 9.3539 10.6584 10.6584 k = 0.1000 0.1732 0.5138 ( 3908 PWs) bands (ev): -21.4623 -21.4623 -21.4308 -21.4308 -7.9173 -7.9173 -6.2460 -6.2460 -6.1704 -6.1704 -5.4383 -5.4383 -5.3875 -5.3875 -5.2750 -5.2750 -5.2315 -5.2315 -2.6275 -2.6275 1.5107 1.5107 1.6820 1.6820 2.9263 2.9263 3.6072 3.6072 3.6311 3.6311 4.6514 4.6514 5.4125 5.4125 5.8172 5.8172 7.2064 7.2064 7.5990 7.5990 9.3148 9.3148 10.6599 10.6599 k = 0.0917 0.1588 0.5138 ( 3896 PWs) bands (ev): -21.4627 -21.4627 -21.4305 -21.4305 -7.9142 -7.9142 -6.2428 -6.2428 -6.1712 -6.1712 -5.4318 -5.4318 -5.3864 -5.3864 -5.2794 -5.2794 -5.2359 -5.2359 -2.6324 -2.6324 1.5105 1.5105 1.6803 1.6803 2.9200 2.9200 3.5997 3.5997 3.6293 3.6293 4.6507 4.6507 5.4129 5.4129 5.8176 5.8176 7.2192 7.2192 7.5947 7.5947 9.2780 9.2780 10.6595 10.6595 k = 0.0833 0.1443 0.5138 ( 3900 PWs) bands (ev): -21.4631 -21.4631 -21.4302 -21.4302 -7.9112 -7.9112 -6.2395 -6.2395 -6.1722 -6.1722 -5.4253 -5.4253 -5.3851 -5.3851 -5.2843 -5.2843 -5.2400 -5.2400 -2.6370 -2.6370 1.5102 1.5102 1.6789 1.6789 2.9141 2.9141 3.5917 3.5917 3.6288 3.6288 4.6501 4.6501 5.4133 5.4133 5.8180 5.8180 7.2304 7.2304 7.5912 7.5912 9.2439 9.2439 10.6573 10.6573 k = 0.0750 0.1299 0.5138 ( 3908 PWs) bands (ev): -21.4634 -21.4634 -21.4300 -21.4300 -7.9085 -7.9085 -6.2363 -6.2363 -6.1734 -6.1734 -5.4186 -5.4186 -5.3836 -5.3836 -5.2896 -5.2896 -5.2439 -5.2439 -2.6412 -2.6412 1.5098 1.5098 1.6776 1.6776 2.9085 2.9085 3.5840 3.5840 3.6287 3.6287 4.6495 4.6495 5.4137 5.4137 5.8183 5.8183 7.2399 7.2399 7.5886 7.5886 9.2126 9.2126 10.6535 10.6535 k = 0.0667 0.1155 0.5138 ( 3904 PWs) bands (ev): -21.4637 -21.4637 -21.4298 -21.4298 -7.9059 -7.9059 -6.2333 -6.2333 -6.1746 -6.1746 -5.4120 -5.4120 -5.3820 -5.3820 -5.2952 -5.2952 -5.2474 -5.2474 -2.6451 -2.6451 1.5093 1.5093 1.6766 1.6766 2.9033 2.9033 3.5768 3.5768 3.6290 3.6290 4.6490 4.6490 5.4140 5.4140 5.8186 5.8186 7.2477 7.2477 7.5871 7.5871 9.1842 9.1842 10.6483 10.6483 k = 0.0583 0.1010 0.5138 ( 3900 PWs) bands (ev): -21.4640 -21.4640 -21.4296 -21.4296 -7.9036 -7.9036 -6.2303 -6.2303 -6.1758 -6.1758 -5.4055 -5.4055 -5.3804 -5.3804 -5.3011 -5.3011 -5.2507 -5.2507 -2.6486 -2.6486 1.5088 1.5088 1.6758 1.6758 2.8986 2.8986 3.5704 3.5704 3.6293 3.6293 4.6486 4.6486 5.4144 5.4144 5.8189 5.8189 7.2538 7.2538 7.5865 7.5865 9.1590 9.1590 10.6422 10.6422 k = 0.0500 0.0866 0.5138 ( 3898 PWs) bands (ev): -21.4643 -21.4643 -21.4295 -21.4295 -7.9016 -7.9016 -6.2276 -6.2276 -6.1771 -6.1771 -5.3990 -5.3990 -5.3786 -5.3786 -5.3071 -5.3071 -5.2537 -5.2537 -2.6517 -2.6517 1.5083 1.5083 1.6752 1.6752 2.8944 2.8944 3.5647 3.5647 3.6297 3.6297 4.6483 4.6483 5.4147 5.4147 5.8192 5.8192 7.2585 7.2585 7.5867 7.5867 9.1369 9.1369 10.6356 10.6356 k = 0.0417 0.0722 0.5138 ( 3902 PWs) bands (ev): -21.4645 -21.4645 -21.4293 -21.4293 -7.8998 -7.8998 -6.2251 -6.2251 -6.1783 -6.1783 -5.3929 -5.3929 -5.3767 -5.3767 -5.3132 -5.3132 -5.2563 -5.2563 -2.6543 -2.6543 1.5077 1.5077 1.6747 1.6747 2.8908 2.8908 3.5599 3.5599 3.6300 3.6300 4.6480 4.6480 5.4150 5.4150 5.8194 5.8194 7.2619 7.2619 7.5875 7.5875 9.1180 9.1180 10.6288 10.6288 k = 0.0333 0.0577 0.5138 ( 3890 PWs) bands (ev): -21.4647 -21.4647 -21.4292 -21.4292 -7.8984 -7.8984 -6.2230 -6.2230 -6.1794 -6.1794 -5.3875 -5.3875 -5.3744 -5.3744 -5.3192 -5.3192 -5.2585 -5.2585 -2.6565 -2.6565 1.5073 1.5073 1.6744 1.6744 2.8878 2.8878 3.5559 3.5559 3.6303 3.6303 4.6477 4.6477 5.4153 5.4153 5.8196 5.8196 7.2642 7.2642 7.5886 7.5886 9.1025 9.1025 10.6225 10.6225 k = 0.0250 0.0433 0.5138 ( 3882 PWs) bands (ev): -21.4648 -21.4648 -21.4291 -21.4291 -7.8972 -7.8972 -6.2211 -6.2211 -6.1804 -6.1804 -5.3833 -5.3833 -5.3715 -5.3715 -5.3251 -5.3251 -5.2603 -5.2603 -2.6582 -2.6582 1.5069 1.5069 1.6742 1.6742 2.8854 2.8854 3.5527 3.5527 3.6306 3.6306 4.6475 4.6475 5.4155 5.4155 5.8198 5.8198 7.2657 7.2657 7.5898 7.5898 9.0904 9.0904 10.6171 10.6171 k = 0.0167 0.0289 0.5138 ( 3874 PWs) bands (ev): -21.4649 -21.4649 -21.4291 -21.4291 -7.8964 -7.8964 -6.2198 -6.2198 -6.1812 -6.1812 -5.3806 -5.3806 -5.3679 -5.3679 -5.3304 -5.3304 -5.2616 -5.2616 -2.6595 -2.6595 1.5066 1.5066 1.6741 1.6741 2.8837 2.8837 3.5505 3.5505 3.6308 3.6308 4.6474 4.6474 5.4156 5.4156 5.8199 5.8199 7.2666 7.2666 7.5909 7.5909 9.0818 9.0818 10.6128 10.6128 k = 0.0083 0.0144 0.5138 ( 3878 PWs) bands (ev): -21.4650 -21.4650 -21.4290 -21.4290 -7.8959 -7.8959 -6.2189 -6.2189 -6.1817 -6.1817 -5.3792 -5.3792 -5.3646 -5.3646 -5.3345 -5.3345 -5.2624 -5.2624 -2.6602 -2.6602 1.5064 1.5064 1.6740 1.6740 2.8827 2.8827 3.5492 3.5492 3.6309 3.6309 4.6473 4.6473 5.4157 5.4157 5.8200 5.8200 7.2671 7.2671 7.5916 7.5916 9.0766 9.0766 10.6102 10.6102 k = 0.0000 0.0000 0.5138 ( 3884 PWs) bands (ev): -21.4650 -21.4650 -21.4290 -21.4290 -7.8957 -7.8957 -6.2186 -6.2186 -6.1819 -6.1819 -5.3788 -5.3788 -5.3632 -5.3632 -5.3361 -5.3361 -5.2626 -5.2626 -2.6605 -2.6605 1.5063 1.5063 1.6739 1.6739 2.8823 2.8823 3.5487 3.5487 3.6310 3.6310 4.6473 4.6473 5.4158 5.4158 5.8200 5.8200 7.2672 7.2672 7.5918 7.5918 9.0748 9.0748 10.6093 10.6093 k = 0.5000 0.2887 0.5138 ( 3904 PWs) bands (ev): -21.4514 -21.4514 -21.4390 -21.4390 -7.9729 -7.9729 -6.2936 -6.2936 -6.1684 -6.1684 -5.5315 -5.5315 -5.3819 -5.3819 -5.2561 -5.2561 -5.1433 -5.1433 -2.5345 -2.5345 1.4858 1.4858 1.7482 1.7482 3.0332 3.0332 3.6076 3.6076 3.8645 3.8645 4.6716 4.6716 5.4236 5.4236 5.8179 5.8179 6.7306 6.7306 7.8896 7.8896 10.0104 10.0104 10.2439 10.2439 k = 0.5000 0.2887 0.4972 ( 3906 PWs) bands (ev): -21.4514 -21.4514 -21.4389 -21.4389 -7.9735 -7.9735 -6.2935 -6.2935 -6.1683 -6.1683 -5.5314 -5.5314 -5.3818 -5.3818 -5.2561 -5.2561 -5.1434 -5.1434 -2.5318 -2.5318 1.4871 1.4871 1.7495 1.7495 3.0273 3.0273 3.6074 3.6074 3.8653 3.8653 4.6715 4.6715 5.4155 5.4155 5.8078 5.8078 6.7410 6.7410 7.8961 7.8961 10.0011 10.0011 10.2406 10.2406 k = 0.5000 0.2887 0.4807 ( 3910 PWs) bands (ev): -21.4515 -21.4515 -21.4389 -21.4389 -7.9752 -7.9752 -6.2933 -6.2933 -6.1679 -6.1679 -5.5311 -5.5311 -5.3816 -5.3816 -5.2560 -5.2560 -5.1437 -5.1437 -2.5235 -2.5235 1.4910 1.4910 1.7535 1.7535 3.0098 3.0098 3.6070 3.6070 3.8675 3.8675 4.6713 4.6713 5.3915 5.3915 5.7787 5.7787 6.7709 6.7709 7.9154 7.9154 9.9743 9.9743 10.2311 10.2311 k = 0.5000 0.2887 0.4641 ( 3914 PWs) bands (ev): -21.4516 -21.4516 -21.4388 -21.4388 -7.9781 -7.9781 -6.2929 -6.2929 -6.1672 -6.1672 -5.5308 -5.5308 -5.3812 -5.3812 -5.2559 -5.2559 -5.1442 -5.1442 -2.5098 -2.5098 1.4974 1.4974 1.7601 1.7601 2.9811 2.9811 3.6061 3.6061 3.8709 3.8709 4.6708 4.6708 5.3529 5.3529 5.7338 5.7338 6.8166 6.8166 7.9466 7.9466 9.9331 9.9331 10.2164 10.2164 k = 0.5000 0.2887 0.4475 ( 3910 PWs) bands (ev): -21.4518 -21.4518 -21.4386 -21.4386 -7.9820 -7.9820 -6.2923 -6.2923 -6.1663 -6.1663 -5.5302 -5.5302 -5.3807 -5.3807 -5.2557 -5.2557 -5.1448 -5.1448 -2.4907 -2.4907 1.5063 1.5063 1.7693 1.7693 2.9417 2.9417 3.6049 3.6049 3.8750 3.8750 4.6702 4.6702 5.3016 5.3016 5.6763 5.6763 6.8741 6.8741 7.9886 7.9886 9.8811 9.8811 10.1978 10.1978 k = 0.5000 0.2887 0.4309 ( 3910 PWs) bands (ev): -21.4520 -21.4520 -21.4384 -21.4384 -7.9870 -7.9870 -6.2917 -6.2917 -6.1651 -6.1651 -5.5295 -5.5295 -5.3800 -5.3800 -5.2556 -5.2556 -5.1456 -5.1456 -2.4662 -2.4662 1.5178 1.5178 1.7811 1.7811 2.8924 2.8924 3.6032 3.6032 3.8796 3.8796 4.6694 4.6694 5.2397 5.2397 5.6093 5.6093 6.9393 6.9393 8.0398 8.0398 9.8219 9.8219 10.1767 10.1767 k = 0.5000 0.2887 0.4144 ( 3920 PWs) bands (ev): -21.4523 -21.4523 -21.4382 -21.4382 -7.9930 -7.9930 -6.2908 -6.2908 -6.1636 -6.1636 -5.5287 -5.5287 -5.3791 -5.3791 -5.2555 -5.2555 -5.1466 -5.1466 -2.4364 -2.4364 1.5318 1.5318 1.7956 1.7956 2.8339 2.8339 3.6010 3.6010 3.8840 3.8840 4.6684 4.6684 5.1694 5.1694 5.5351 5.5351 7.0092 7.0092 8.0987 8.0987 9.7584 9.7584 10.1542 10.1542 k = 0.5000 0.2887 0.3978 ( 3924 PWs) bands (ev): -21.4526 -21.4526 -21.4380 -21.4380 -7.9998 -7.9998 -6.2899 -6.2899 -6.1619 -6.1619 -5.5277 -5.5277 -5.3780 -5.3780 -5.2554 -5.2554 -5.1478 -5.1478 -2.4013 -2.4013 1.5483 1.5483 1.8126 1.8126 2.7669 2.7669 3.5983 3.5983 3.8879 3.8879 4.6671 4.6671 5.0929 5.0929 5.4554 5.4554 7.0813 7.0813 8.1637 8.1637 9.6927 9.6927 10.1316 10.1316 k = 0.5000 0.2887 0.3812 ( 3922 PWs) bands (ev): -21.4529 -21.4529 -21.4377 -21.4377 -8.0075 -8.0075 -6.2890 -6.2890 -6.1599 -6.1599 -5.5266 -5.5266 -5.3768 -5.3768 -5.2555 -5.2555 -5.1490 -5.1490 -2.3612 -2.3612 1.5673 1.5673 1.8322 1.8322 2.6923 2.6923 3.5949 3.5949 3.8908 3.8908 4.6656 4.6656 5.0120 5.0120 5.3717 5.3717 7.1535 7.1535 8.2333 8.2333 9.6265 9.6265 10.1100 10.1100 k = 0.5000 0.2887 0.3646 ( 3922 PWs) bands (ev): -21.4533 -21.4533 -21.4374 -21.4374 -8.0158 -8.0158 -6.2879 -6.2879 -6.1578 -6.1578 -5.5254 -5.5254 -5.3753 -5.3753 -5.2557 -5.2557 -5.1504 -5.1504 -2.3160 -2.3160 1.5887 1.5887 1.8544 1.8544 2.6108 2.6108 3.5908 3.5908 3.8922 3.8922 4.6636 4.6636 4.9285 4.9285 5.2849 5.2849 7.2243 7.2243 8.3064 8.3064 9.5609 9.5609 10.0907 10.0907 k = 0.5000 0.2887 0.3481 ( 3924 PWs) bands (ev): -21.4536 -21.4536 -21.4371 -21.4371 -8.0248 -8.0248 -6.2868 -6.2868 -6.1554 -6.1554 -5.5241 -5.5241 -5.3737 -5.3737 -5.2560 -5.2560 -5.1518 -5.1518 -2.2659 -2.2659 1.6125 1.6125 1.8790 1.8790 2.5230 2.5230 3.5859 3.5859 3.8918 3.8918 4.6609 4.6609 4.8442 4.8442 5.1960 5.1960 7.2923 7.2923 8.3816 8.3816 9.4970 9.4970 10.0746 10.0746 k = 0.5000 0.2887 0.3315 ( 3920 PWs) bands (ev): -21.4540 -21.4540 -21.4368 -21.4368 -8.0343 -8.0343 -6.2857 -6.2857 -6.1529 -6.1529 -5.5226 -5.5226 -5.3719 -5.3719 -5.2566 -5.2566 -5.1533 -5.1533 -2.2110 -2.2110 1.6387 1.6387 1.9061 1.9061 2.4298 2.4298 3.5801 3.5801 3.8888 3.8888 4.6563 4.6563 4.7615 4.7615 5.1060 5.1060 7.3563 7.3563 8.4580 8.4580 9.4351 9.4351 10.0629 10.0629 k = 0.5000 0.2887 0.3149 ( 3924 PWs) bands (ev): -21.4544 -21.4544 -21.4365 -21.4365 -8.0441 -8.0441 -6.2845 -6.2845 -6.1502 -6.1502 -5.5211 -5.5211 -5.3698 -5.3698 -5.2574 -5.2574 -5.1549 -5.1549 -2.1516 -2.1516 1.6669 1.6669 1.9353 1.9353 2.3321 2.3321 3.5733 3.5733 3.8826 3.8826 4.6409 4.6409 4.6905 4.6905 5.0157 5.0157 7.4154 7.4154 8.5348 8.5348 9.3760 9.3760 10.0565 10.0565 k = 0.5000 0.2887 0.2983 ( 3914 PWs) bands (ev): -21.4547 -21.4547 -21.4363 -21.4363 -8.0543 -8.0543 -6.2834 -6.2834 -6.1474 -6.1474 -5.5195 -5.5195 -5.3676 -5.3676 -5.2584 -5.2584 -5.1565 -5.1565 -2.0878 -2.0878 1.6970 1.6970 1.9663 1.9663 2.2313 2.2313 3.5653 3.5653 3.8723 3.8723 4.5830 4.5830 4.6641 4.6641 4.9263 4.9263 7.4688 7.4688 8.6111 8.6111 9.3198 9.3198 10.0562 10.0562 k = 0.5000 0.2887 0.2818 ( 3906 PWs) bands (ev): -21.4551 -21.4551 -21.4360 -21.4360 -8.0646 -8.0646 -6.2823 -6.2823 -6.1445 -6.1445 -5.5177 -5.5177 -5.3653 -5.3653 -5.2596 -5.2596 -5.1581 -5.1581 -2.0196 -2.0196 1.7281 1.7281 1.9965 1.9965 2.1311 2.1311 3.5558 3.5558 3.8569 3.8569 4.5105 4.5105 4.6549 4.6549 4.8394 4.8394 7.5160 7.5160 8.6863 8.6863 9.2668 9.2668 10.0626 10.0626 k = 0.5000 0.2887 0.2652 ( 3904 PWs) bands (ev): -21.4555 -21.4555 -21.4357 -21.4357 -8.0750 -8.0750 -6.2812 -6.2812 -6.1415 -6.1415 -5.5159 -5.5159 -5.3628 -5.3628 -5.2611 -5.2611 -5.1597 -5.1597 -1.9475 -1.9475 1.7578 1.7578 1.9938 1.9938 2.0667 2.0667 3.5445 3.5445 3.8350 3.8350 4.4417 4.4417 4.6420 4.6420 4.7599 4.7599 7.5566 7.5566 8.7597 8.7597 9.2172 9.2172 10.0760 10.0760 k = 0.5000 0.2887 0.2486 ( 3904 PWs) bands (ev): -21.4558 -21.4558 -21.4354 -21.4354 -8.0853 -8.0853 -6.2801 -6.2801 -6.1385 -6.1385 -5.5141 -5.5141 -5.3601 -5.3601 -5.2629 -5.2629 -5.1613 -5.1613 -1.8716 -1.8716 1.7736 1.7736 1.9193 1.9193 2.0898 2.0898 3.5310 3.5310 3.8054 3.8054 4.3804 4.3804 4.6089 4.6089 4.7032 4.7032 7.5905 7.5905 8.8309 8.8309 9.1711 9.1711 10.0967 10.0967 k = 0.5000 0.2887 0.2320 ( 3900 PWs) bands (ev): -21.4562 -21.4562 -21.4352 -21.4352 -8.0955 -8.0955 -6.2791 -6.2791 -6.1355 -6.1355 -5.5122 -5.5122 -5.3573 -5.3573 -5.2650 -5.2650 -5.1629 -5.1629 -1.7921 -1.7921 1.7288 1.7288 1.8917 1.8917 2.1291 2.1291 3.5148 3.5148 3.7674 3.7674 4.3280 4.3280 4.5452 4.5452 4.6799 4.6799 7.6178 7.6178 8.8989 8.8989 9.1290 9.1290 10.1245 10.1245 k = 0.5000 0.2887 0.2155 ( 3892 PWs) bands (ev): -21.4565 -21.4565 -21.4349 -21.4349 -8.1054 -8.1054 -6.2782 -6.2782 -6.1326 -6.1326 -5.5102 -5.5102 -5.3544 -5.3544 -5.2672 -5.2672 -5.1644 -5.1644 -1.7094 -1.7094 1.6293 1.6293 1.9175 1.9175 2.1725 2.1725 3.4951 3.4951 3.7210 3.7210 4.2851 4.2851 4.4705 4.4705 4.6711 4.6711 7.6389 7.6389 8.9617 8.9617 9.0926 9.0926 10.1590 10.1590 k = 0.5000 0.2887 0.1989 ( 3896 PWs) bands (ev): -21.4568 -21.4568 -21.4347 -21.4347 -8.1150 -8.1150 -6.2773 -6.2773 -6.1297 -6.1297 -5.5082 -5.5082 -5.3514 -5.3514 -5.2697 -5.2697 -5.1659 -5.1659 -1.6238 -1.6238 1.5160 1.5160 1.9575 1.9575 2.2187 2.2187 3.4710 3.4710 3.6676 3.6676 4.2513 4.2513 4.3960 4.3960 4.6665 4.6665 7.6545 7.6545 9.0066 9.0066 9.0741 9.0741 10.1994 10.1994 k = 0.5000 0.2887 0.1823 ( 3894 PWs) bands (ev): -21.4571 -21.4571 -21.4345 -21.4345 -8.1241 -8.1241 -6.2764 -6.2764 -6.1268 -6.1268 -5.5063 -5.5063 -5.3483 -5.3483 -5.2725 -5.2725 -5.1673 -5.1673 -1.5357 -1.5357 1.3988 1.3988 2.0030 2.0030 2.2673 2.2673 3.4411 3.4411 3.6094 3.6094 4.2251 4.2251 4.3252 4.3252 4.6634 4.6634 7.6650 7.6650 8.9999 8.9999 9.1069 9.1069 10.2450 10.2450 k = 0.5000 0.2887 0.1657 ( 3892 PWs) bands (ev): -21.4574 -21.4574 -21.4342 -21.4342 -8.1328 -8.1328 -6.2757 -6.2757 -6.1242 -6.1242 -5.5043 -5.5043 -5.3452 -5.3452 -5.2754 -5.2754 -5.1686 -5.1686 -1.4455 -1.4455 1.2804 1.2804 2.0517 2.0517 2.3182 2.3182 3.4037 3.4037 3.5492 3.5492 4.2045 4.2045 4.2602 4.2602 4.6611 4.6611 7.6715 7.6715 8.9739 8.9739 9.1583 9.1583 10.2946 10.2946 k = 0.5000 0.2887 0.1492 ( 3892 PWs) bands (ev): -21.4577 -21.4577 -21.4341 -21.4341 -8.1408 -8.1408 -6.2750 -6.2750 -6.1216 -6.1216 -5.5024 -5.5024 -5.3420 -5.3420 -5.2784 -5.2784 -5.1699 -5.1699 -1.3539 -1.3539 1.1622 1.1622 2.1031 2.1031 2.3710 2.3710 3.3573 3.3573 3.4898 3.4898 4.1827 4.1827 4.2076 4.2076 4.6592 4.6592 7.6746 7.6746 8.9473 8.9473 9.2093 9.2093 10.3470 10.3470 k = 0.5000 0.2887 0.1326 ( 3896 PWs) bands (ev): -21.4579 -21.4579 -21.4339 -21.4339 -8.1482 -8.1482 -6.2743 -6.2743 -6.1193 -6.1193 -5.5006 -5.5006 -5.3387 -5.3387 -5.2817 -5.2817 -5.1710 -5.1710 -1.2616 -1.2616 1.0455 1.0455 2.1566 2.1566 2.4258 2.4258 3.3017 3.3017 3.4326 3.4326 4.1404 4.1404 4.1859 4.1859 4.6576 4.6576 7.6751 7.6751 8.9228 8.9228 9.2568 9.2568 10.4006 10.4006 k = 0.5000 0.2887 0.1160 ( 3884 PWs) bands (ev): -21.4581 -21.4581 -21.4337 -21.4337 -8.1548 -8.1548 -6.2738 -6.2738 -6.1172 -6.1172 -5.4990 -5.4990 -5.3354 -5.3354 -5.2850 -5.2850 -5.1721 -5.1721 -1.1696 -1.1696 0.9315 0.9315 2.2121 2.2121 2.4822 2.4822 3.2387 3.2387 3.3768 3.3768 4.0961 4.0961 4.1763 4.1763 4.6563 4.6563 7.6738 7.6738 8.9007 8.9007 9.3001 9.3001 10.4539 10.4539 k = 0.5000 0.2887 0.0994 ( 3884 PWs) bands (ev): -21.4583 -21.4583 -21.4336 -21.4336 -8.1607 -8.1607 -6.2733 -6.2733 -6.1153 -6.1153 -5.4974 -5.4974 -5.3320 -5.3320 -5.2884 -5.2884 -5.1730 -5.1730 -1.0792 -1.0792 0.8217 0.8217 2.2690 2.2690 2.5401 2.5401 3.1713 3.1713 3.3210 3.3210 4.0580 4.0580 4.1698 4.1698 4.6552 4.6552 7.6713 7.6713 8.8815 8.8815 9.3385 9.3385 10.5052 10.5052 k = 0.5000 0.2887 0.0829 ( 3882 PWs) bands (ev): -21.4585 -21.4585 -21.4335 -21.4335 -8.1658 -8.1658 -6.2729 -6.2729 -6.1136 -6.1136 -5.4961 -5.4961 -5.3286 -5.3286 -5.2919 -5.2919 -5.1738 -5.1738 -0.9924 -0.9924 0.7182 0.7182 2.3270 2.3270 2.5989 2.5989 3.1024 3.1024 3.2638 3.2638 4.0269 4.0269 4.1652 4.1652 4.6542 4.6542 7.6683 7.6683 8.8650 8.8650 9.3717 9.3717 10.5523 10.5523 k = 0.5000 0.2887 0.0663 ( 3876 PWs) bands (ev): -21.4586 -21.4586 -21.4334 -21.4334 -8.1700 -8.1700 -6.2725 -6.2725 -6.1123 -6.1123 -5.4949 -5.4949 -5.3251 -5.3251 -5.2955 -5.2955 -5.1745 -5.1745 -0.9115 -0.9115 0.6236 0.6236 2.3851 2.3851 2.6580 2.6580 3.0346 3.0346 3.2053 3.2053 4.0023 4.0023 4.1618 4.1618 4.6535 4.6535 7.6652 7.6652 8.8515 8.8515 9.3993 9.3993 10.5936 10.5936 k = 0.5000 0.2887 0.0497 ( 3878 PWs) bands (ev): -21.4587 -21.4587 -21.4333 -21.4333 -8.1733 -8.1733 -6.2723 -6.2723 -6.1112 -6.1112 -5.4940 -5.4940 -5.3217 -5.3217 -5.2990 -5.2990 -5.1750 -5.1750 -0.8403 -0.8403 0.5416 0.5416 2.4419 2.4419 2.7157 2.7157 2.9711 2.9711 3.1462 3.1462 3.9839 3.9839 4.1595 4.1595 4.6529 4.6529 7.6623 7.6623 8.8410 8.8410 9.4210 9.4210 10.6274 10.6274 k = 0.5000 0.2887 0.0331 ( 3874 PWs) bands (ev): -21.4588 -21.4588 -21.4333 -21.4333 -8.1757 -8.1757 -6.2721 -6.2721 -6.1104 -6.1104 -5.4933 -5.4933 -5.3183 -5.3183 -5.3025 -5.3025 -5.1754 -5.1754 -0.7833 -0.7833 0.4769 0.4769 2.4941 2.4941 2.7676 2.7676 2.9186 2.9186 3.0883 3.0883 3.9711 3.9711 4.1579 4.1579 4.6525 4.6525 7.6601 7.6601 8.8334 8.8334 9.4367 9.4367 10.6522 10.6522 k = 0.5000 0.2887 0.0166 ( 3882 PWs) bands (ev): -21.4588 -21.4588 -21.4333 -21.4333 -8.1771 -8.1771 -6.2719 -6.2719 -6.1099 -6.1099 -5.4929 -5.4929 -5.3152 -5.3152 -5.3056 -5.3056 -5.1757 -5.1757 -0.7459 -0.7459 0.4348 0.4348 2.5347 2.5347 2.7986 2.7986 2.8941 2.8941 3.0373 3.0373 3.9636 3.9636 4.1571 4.1571 4.6523 4.6523 7.6586 7.6586 8.8289 8.8289 9.4462 9.4462 10.6674 10.6674 k = 0.5000 0.2887-0.0000 ( 3888 PWs) bands (ev): -21.4588 -21.4588 -21.4332 -21.4332 -8.1776 -8.1776 -6.2719 -6.2719 -6.1098 -6.1098 -5.4928 -5.4928 -5.3135 -5.3135 -5.3073 -5.3073 -5.1757 -5.1757 -0.7329 -0.7329 0.4201 0.4201 2.5510 2.5510 2.8018 2.8018 2.8980 2.8980 3.0123 3.0123 3.9612 3.9612 4.1568 4.1568 4.6522 4.6522 7.6581 7.6581 8.8274 8.8274 9.4494 9.4494 10.6725 10.6725 k = 0.3333 0.5774-0.0000 ( 3882 PWs) bands (ev): -21.4459 -21.4459 -21.4458 -21.4458 -8.1914 -8.1914 -6.2237 -6.2237 -6.1566 -6.1566 -5.4216 -5.4216 -5.3639 -5.3639 -5.3086 -5.3086 -5.1965 -5.1965 -0.7296 -0.7296 0.4470 0.4470 2.6571 2.6571 2.7133 2.7133 2.8790 2.8790 3.0362 3.0362 3.9675 3.9675 4.1949 4.1949 4.6230 4.6230 8.0352 8.0352 8.0661 8.0661 10.2420 10.2420 10.4970 10.4970 k = 0.3333 0.5774 0.0166 ( 3870 PWs) bands (ev): -21.4459 -21.4459 -21.4458 -21.4458 -8.1908 -8.1908 -6.2238 -6.2238 -6.1567 -6.1567 -5.4222 -5.4222 -5.3638 -5.3638 -5.3080 -5.3080 -5.1965 -5.1965 -0.7423 -0.7423 0.4614 0.4614 2.6358 2.6358 2.7009 2.7009 2.9019 2.9019 3.0484 3.0484 3.9700 3.9700 4.1953 4.1953 4.6232 4.6232 8.0355 8.0355 8.0670 8.0670 10.2338 10.2338 10.4878 10.4878 k = 0.3333 0.5774 0.0331 ( 3882 PWs) bands (ev): -21.4459 -21.4459 -21.4458 -21.4458 -8.1894 -8.1894 -6.2243 -6.2243 -6.1570 -6.1570 -5.4239 -5.4239 -5.3635 -5.3635 -5.3065 -5.3065 -5.1967 -5.1967 -0.7788 -0.7788 0.5026 0.5026 2.5872 2.5872 2.6681 2.6681 2.9552 2.9552 3.0803 3.0803 3.9775 3.9775 4.1963 4.1963 4.6238 4.6238 8.0362 8.0362 8.0697 8.0697 10.2103 10.2103 10.4611 10.4611 k = 0.3333 0.5774 0.0497 ( 3879 PWs) bands (ev): -21.4458 -21.4458 -21.4458 -21.4458 -8.1869 -8.1869 -6.2250 -6.2250 -6.1575 -6.1575 -5.4265 -5.4265 -5.3631 -5.3631 -5.3040 -5.3040 -5.1970 -5.1970 -0.8346 -0.8346 0.5664 0.5664 2.5289 2.5289 2.6232 2.6232 3.0213 3.0213 3.1234 3.1234 3.9902 3.9902 4.1980 4.1980 4.6248 4.6248 8.0373 8.0373 8.0740 8.0740 10.1739 10.1739 10.4198 10.4198 k = 0.3333 0.5774 0.0663 ( 3879 PWs) bands (ev): -21.4458 -21.4458 -21.4458 -21.4458 -8.1836 -8.1836 -6.2261 -6.2261 -6.1582 -6.1582 -5.4300 -5.4300 -5.3625 -5.3625 -5.3008 -5.3008 -5.1974 -5.1974 -0.9046 -0.9046 0.6474 0.6474 2.4678 2.4678 2.5723 2.5723 3.0932 3.0932 3.1714 3.1714 4.0085 4.0085 4.2006 4.2006 4.6261 4.6261 8.0384 8.0384 8.0798 8.0798 10.1275 10.1275 10.3672 10.3672 k = 0.3333 0.5774 0.0829 ( 3897 PWs) bands (ev): -21.4458 -21.4458 -21.4457 -21.4457 -8.1793 -8.1793 -6.2274 -6.2274 -6.1591 -6.1591 -5.4342 -5.4342 -5.3618 -5.3618 -5.2970 -5.2970 -5.1978 -5.1978 -0.9843 -0.9843 0.7411 0.7411 2.4064 2.4064 2.5185 2.5185 3.1680 3.1680 3.2205 3.2205 4.0329 4.0329 4.2041 4.2041 4.6278 4.6278 8.0393 8.0393 8.0868 8.0868 10.0743 10.0743 10.3065 10.3065 k = 0.3333 0.5774 0.0994 ( 3912 PWs) bands (ev): -21.4458 -21.4458 -21.4457 -21.4457 -8.1741 -8.1741 -6.2290 -6.2290 -6.1602 -6.1602 -5.4389 -5.4389 -5.3609 -5.3609 -5.2930 -5.2930 -5.1981 -5.1981 -1.0701 -1.0701 0.8439 0.8439 2.3459 2.3459 2.4638 2.4638 3.2445 3.2445 3.2683 3.2683 4.0638 4.0638 4.2089 4.2089 4.6299 4.6299 8.0396 8.0396 8.0947 8.0947 10.0170 10.0170 10.2407 10.2407 k = 0.3333 0.5774 0.1160 ( 3912 PWs) bands (ev): -21.4458 -21.4458 -21.4457 -21.4457 -8.1680 -8.1680 -6.2308 -6.2308 -6.1615 -6.1615 -5.4439 -5.4439 -5.3599 -5.3599 -5.2888 -5.2888 -5.1984 -5.1984 -1.1594 -1.1594 0.9531 0.9531 2.2869 2.2869 2.4091 2.4091 3.3134 3.3134 3.3216 3.3216 4.1016 4.1016 4.2152 4.2152 4.6324 4.6324 8.0388 8.0388 8.1031 8.1031 9.9581 9.9581 10.1720 10.1720 k = 0.3333 0.5774 0.1326 ( 3906 PWs) bands (ev): -21.4457 -21.4457 -21.4457 -21.4457 -8.1612 -8.1612 -6.2328 -6.2328 -6.1630 -6.1630 -5.4492 -5.4492 -5.3587 -5.3587 -5.2847 -5.2847 -5.1985 -5.1985 -1.2504 -1.2504 1.0667 1.0667 2.2297 2.2297 2.3551 2.3551 3.3548 3.3548 3.3985 3.3985 4.1465 4.1465 4.2234 4.2234 4.6352 4.6352 8.0361 8.0361 8.1115 8.1115 9.8995 9.8995 10.1023 10.1023 k = 0.3333 0.5774 0.1492 ( 3900 PWs) bands (ev): -21.4457 -21.4457 -21.4456 -21.4456 -8.1536 -8.1536 -6.2350 -6.2350 -6.1646 -6.1646 -5.4546 -5.4546 -5.3575 -5.3575 -5.2809 -5.2809 -5.1984 -5.1984 -1.3417 -1.3417 1.1833 1.1833 2.1746 2.1746 2.3023 2.3023 3.3920 3.3920 3.4743 3.4743 4.1987 4.1987 4.2342 4.2342 4.6384 4.6384 8.0310 8.0310 8.1191 8.1191 9.8431 9.8431 10.0333 10.0333 k = 0.3333 0.5774 0.1657 ( 3888 PWs) bands (ev): -21.4457 -21.4457 -21.4456 -21.4456 -8.1453 -8.1453 -6.2374 -6.2374 -6.1664 -6.1664 -5.4601 -5.4601 -5.3561 -5.3561 -5.2775 -5.2775 -5.1979 -5.1979 -1.4325 -1.4325 1.3016 1.3016 2.1217 2.1217 2.2510 2.2510 3.4247 3.4247 3.5479 3.5479 4.2483 4.2483 4.2577 4.2577 4.6419 4.6419 8.0225 8.0225 8.1252 8.1252 9.7906 9.7906 9.9665 9.9665 k = 0.3333 0.5774 0.1823 ( 3888 PWs) bands (ev): -21.4456 -21.4456 -21.4455 -21.4455 -8.1364 -8.1364 -6.2400 -6.2400 -6.1683 -6.1683 -5.4656 -5.4656 -5.3547 -5.3547 -5.2746 -5.2746 -5.1970 -5.1970 -1.5218 -1.5218 1.4204 1.4204 2.0714 2.0714 2.2013 2.2013 3.4532 3.4532 3.6181 3.6181 4.2667 4.2667 4.3231 4.3231 4.6458 4.6458 8.0099 8.0099 8.1289 8.1289 9.7432 9.7432 9.9034 9.9034 k = 0.3333 0.5774 0.1989 ( 3882 PWs) bands (ev): -21.4456 -21.4456 -21.4455 -21.4455 -8.1270 -8.1270 -6.2426 -6.2426 -6.1703 -6.1703 -5.4711 -5.4711 -5.3532 -5.3532 -5.2724 -5.2724 -5.1956 -5.1956 -1.6092 -1.6092 1.5386 1.5386 2.0241 2.0241 2.1534 2.1534 3.4778 3.4778 3.6833 3.6833 4.2907 4.2907 4.3944 4.3944 4.6502 4.6502 7.9924 7.9924 8.1292 8.1292 9.7025 9.7025 9.8454 9.8454 k = 0.3333 0.5774 0.2155 ( 3876 PWs) bands (ev): -21.4455 -21.4455 -21.4455 -21.4455 -8.1171 -8.1171 -6.2454 -6.2454 -6.1724 -6.1724 -5.4765 -5.4765 -5.3516 -5.3516 -5.2708 -5.2708 -5.1937 -5.1937 -1.6941 -1.6941 1.6544 1.6544 1.9811 1.9811 2.1076 2.1076 3.4989 3.4989 3.7420 3.7420 4.3213 4.3213 4.4706 4.4706 4.6551 4.6551 7.9692 7.9692 8.1250 8.1250 9.6694 9.6694 9.7938 9.7938 k = 0.3333 0.5774 0.2320 ( 3882 PWs) bands (ev): -21.4455 -21.4455 -21.4454 -21.4454 -8.1069 -8.1069 -6.2482 -6.2482 -6.1747 -6.1747 -5.4818 -5.4818 -5.3501 -5.3501 -5.2700 -5.2700 -5.1914 -5.1914 -1.7761 -1.7761 1.7622 1.7622 1.9472 1.9472 2.0638 2.0638 3.5170 3.5170 3.7927 3.7927 4.3595 4.3595 4.5512 4.5512 4.6609 4.6609 7.9398 7.9398 8.1153 8.1153 9.6447 9.6447 9.7500 9.7500 k = 0.3333 0.5774 0.2486 ( 3882 PWs) bands (ev): -21.4454 -21.4454 -21.4454 -21.4454 -8.0964 -8.0964 -6.2511 -6.2511 -6.1770 -6.1770 -5.4869 -5.4869 -5.3485 -5.3485 -5.2697 -5.2697 -5.1886 -5.1886 -1.8549 -1.8549 1.8308 1.8308 1.9532 1.9532 2.0222 2.0222 3.5326 3.5326 3.8347 3.8347 4.4052 4.4052 4.6354 4.6354 4.6679 4.6679 7.9040 7.9040 8.0990 8.0990 9.6291 9.6291 9.7151 9.7151 k = 0.3333 0.5774 0.2652 ( 3864 PWs) bands (ev): -21.4454 -21.4454 -21.4453 -21.4453 -8.0857 -8.0857 -6.2539 -6.2539 -6.1793 -6.1793 -5.4919 -5.4919 -5.3469 -5.3469 -5.2700 -5.2700 -5.1854 -5.1854 -1.9301 -1.9301 1.8237 1.8237 1.9829 1.9829 2.0351 2.0351 3.5459 3.5459 3.8680 3.8680 4.4573 4.4573 4.6772 4.6772 4.7224 4.7224 7.8618 7.8618 8.0754 8.0754 9.6227 9.6227 9.6901 9.6901 k = 0.3333 0.5774 0.2818 ( 3876 PWs) bands (ev): -21.4454 -21.4454 -21.4453 -21.4453 -8.0750 -8.0750 -6.2568 -6.2568 -6.1817 -6.1817 -5.4967 -5.4967 -5.3453 -5.3453 -5.2707 -5.2707 -5.1821 -5.1821 -2.0016 -2.0016 1.7943 1.7943 1.9459 1.9459 2.1388 2.1388 3.5575 3.5575 3.8932 3.8932 4.5122 4.5122 4.6912 4.6912 4.8116 4.8116 7.8133 7.8133 8.0442 8.0442 9.6255 9.6255 9.6754 9.6754 k = 0.3333 0.5774 0.2983 ( 3891 PWs) bands (ev): -21.4453 -21.4453 -21.4452 -21.4452 -8.0644 -8.0644 -6.2596 -6.2596 -6.1841 -6.1841 -5.5014 -5.5014 -5.3438 -5.3438 -5.2718 -5.2718 -5.1786 -5.1786 -2.0692 -2.0692 1.7626 1.7626 1.9112 1.9112 2.2438 2.2438 3.5675 3.5675 3.9116 3.9116 4.5633 4.5633 4.7147 4.7147 4.9022 4.9022 7.7593 7.7593 8.0052 8.0052 9.6370 9.6370 9.6712 9.6712 k = 0.3333 0.5774 0.3149 ( 3897 PWs) bands (ev): -21.4453 -21.4453 -21.4452 -21.4452 -8.0539 -8.0539 -6.2623 -6.2623 -6.1864 -6.1864 -5.5058 -5.5058 -5.3423 -5.3423 -5.2731 -5.2731 -5.1751 -5.1751 -2.1325 -2.1325 1.7318 1.7318 1.8790 1.8790 2.3464 2.3464 3.5762 3.5762 3.9244 3.9244 4.6020 4.6020 4.7549 4.7549 4.9938 4.9938 7.7004 7.7004 7.9590 7.9590 9.6568 9.6568 9.6772 9.6772 k = 0.3333 0.5774 0.3315 ( 3900 PWs) bands (ev): -21.4452 -21.4452 -21.4452 -21.4452 -8.0437 -8.0437 -6.2649 -6.2649 -6.1887 -6.1887 -5.5099 -5.5099 -5.3409 -5.3409 -5.2746 -5.2746 -5.1716 -5.1716 -2.1914 -2.1914 1.7029 1.7029 1.8492 1.8492 2.4451 2.4451 3.5838 3.5838 3.9327 3.9327 4.6257 4.6257 4.8127 4.8127 5.0855 5.0855 7.6378 7.6378 7.9064 7.9064 9.6839 9.6839 9.6929 9.6929 k = 0.3333 0.5774 0.3481 ( 3891 PWs) bands (ev): -21.4452 -21.4452 -21.4451 -21.4451 -8.0339 -8.0339 -6.2673 -6.2673 -6.1909 -6.1909 -5.5139 -5.5139 -5.3395 -5.3395 -5.2761 -5.2761 -5.1682 -5.1682 -2.2457 -2.2457 1.6763 1.6763 1.8219 1.8219 2.5390 2.5390 3.5904 3.5904 3.9374 3.9374 4.6395 4.6395 4.8813 4.8813 5.1767 5.1767 7.5724 7.5724 7.8485 7.8485 9.7171 9.7171 9.7176 9.7176 k = 0.3333 0.5774 0.3646 ( 3891 PWs) bands (ev): -21.4452 -21.4452 -21.4451 -21.4451 -8.0247 -8.0247 -6.2696 -6.2696 -6.1930 -6.1930 -5.5175 -5.5175 -5.3383 -5.3383 -5.2776 -5.2776 -5.1650 -5.1650 -2.2953 -2.2953 1.6519 1.6519 1.7972 1.7972 2.6272 2.6272 3.5961 3.5961 3.9394 3.9394 4.6484 4.6484 4.9545 4.9545 5.2664 5.2664 7.5056 7.5056 7.7867 7.7867 9.7489 9.7489 9.7568 9.7568 k = 0.3333 0.5774 0.3812 ( 3885 PWs) bands (ev): -21.4451 -21.4451 -21.4450 -21.4450 -8.0160 -8.0160 -6.2717 -6.2717 -6.1950 -6.1950 -5.5208 -5.5208 -5.3371 -5.3371 -5.2791 -5.2791 -5.1621 -5.1621 -2.3401 -2.3401 1.6301 1.6301 1.7749 1.7749 2.7092 2.7092 3.6010 3.6010 3.9391 3.9391 4.6546 4.6546 5.0286 5.0286 5.3537 5.3537 7.4387 7.4387 7.7226 7.7226 9.7868 9.7868 9.8005 9.8005 k = 0.3333 0.5774 0.3978 ( 3888 PWs) bands (ev): -21.4451 -21.4451 -21.4450 -21.4450 -8.0081 -8.0081 -6.2737 -6.2737 -6.1968 -6.1968 -5.5239 -5.5239 -5.3361 -5.3361 -5.2805 -5.2805 -5.1594 -5.1594 -2.3799 -2.3799 1.6107 1.6107 1.7553 1.7553 2.7842 2.7842 3.6052 3.6052 3.9372 3.9372 4.6592 4.6592 5.1010 5.1010 5.4375 5.4375 7.3730 7.3730 7.6578 7.6578 9.8295 9.8295 9.8475 9.8475 k = 0.3333 0.5774 0.4144 ( 3882 PWs) bands (ev): -21.4451 -21.4451 -21.4450 -21.4450 -8.0010 -8.0010 -6.2754 -6.2754 -6.1984 -6.1984 -5.5266 -5.5266 -5.3351 -5.3351 -5.2818 -5.2818 -5.1570 -5.1570 -2.4146 -2.4146 1.5938 1.5938 1.7382 1.7382 2.8514 2.8514 3.6088 3.6088 3.9341 3.9341 4.6629 4.6629 5.1697 5.1697 5.5165 5.5165 7.3103 7.3103 7.5943 7.5943 9.8753 9.8753 9.8965 9.8965 k = 0.3333 0.5774 0.4309 ( 3882 PWs) bands (ev): -21.4450 -21.4450 -21.4450 -21.4450 -7.9948 -7.9948 -6.2768 -6.2768 -6.1998 -6.1998 -5.5289 -5.5289 -5.3343 -5.3343 -5.2829 -5.2829 -5.1549 -5.1549 -2.4441 -2.4441 1.5795 1.5795 1.7238 1.7238 2.9101 2.9101 3.6118 3.6118 3.9303 3.9303 4.6657 4.6657 5.2328 5.2328 5.5888 5.5888 7.2522 7.2522 7.5343 7.5343 9.9224 9.9224 9.9458 9.9458 k = 0.3333 0.5774 0.4475 ( 3882 PWs) bands (ev): -21.4450 -21.4450 -21.4449 -21.4449 -7.9896 -7.9896 -6.2780 -6.2780 -6.2010 -6.2010 -5.5308 -5.5308 -5.3337 -5.3337 -5.2839 -5.2839 -5.1532 -5.1532 -2.4684 -2.4684 1.5678 1.5678 1.7119 1.7119 2.9595 2.9595 3.6141 3.6141 3.9262 3.9262 4.6679 4.6679 5.2885 5.2885 5.6527 5.6527 7.2007 7.2007 7.4800 7.4800 9.9685 9.9685 9.9934 9.9934 k = 0.3333 0.5774 0.4641 ( 3876 PWs) bands (ev): -21.4450 -21.4450 -21.4449 -21.4449 -7.9856 -7.9856 -6.2790 -6.2790 -6.2019 -6.2019 -5.5323 -5.5323 -5.3331 -5.3331 -5.2846 -5.2846 -5.1518 -5.1518 -2.4874 -2.4874 1.5587 1.5587 1.7027 1.7027 2.9990 2.9990 3.6160 3.6160 3.9223 3.9223 4.6696 4.6696 5.3346 5.3346 5.7058 5.7058 7.1577 7.1577 7.4340 7.4340 10.0107 10.0107 10.0365 10.0365 k = 0.3333 0.5774 0.4807 ( 3882 PWs) bands (ev): -21.4450 -21.4450 -21.4449 -21.4449 -7.9826 -7.9826 -6.2797 -6.2797 -6.2026 -6.2026 -5.5334 -5.5334 -5.3328 -5.3328 -5.2852 -5.2852 -5.1508 -5.1508 -2.5009 -2.5009 1.5522 1.5522 1.6961 1.6961 3.0277 3.0277 3.6172 3.6172 3.9191 3.9191 4.6708 4.6708 5.3693 5.3693 5.7460 5.7460 7.1252 7.1252 7.3987 7.3987 10.0454 10.0454 10.0717 10.0717 k = 0.3333 0.5774 0.4972 ( 3885 PWs) bands (ev): -21.4450 -21.4450 -21.4449 -21.4449 -7.9808 -7.9808 -6.2801 -6.2801 -6.2030 -6.2030 -5.5341 -5.5341 -5.3325 -5.3325 -5.2855 -5.2855 -5.1502 -5.1502 -2.5091 -2.5091 1.5482 1.5482 1.6921 1.6921 3.0452 3.0452 3.6180 3.6180 3.9170 3.9170 4.6715 4.6715 5.3909 5.3909 5.7712 5.7712 7.1050 7.1050 7.3765 7.3765 10.0686 10.0686 10.0952 10.0952 k = 0.3333 0.5774 0.5138 ( 3876 PWs) bands (ev): -21.4450 -21.4450 -21.4449 -21.4449 -7.9802 -7.9802 -6.2802 -6.2802 -6.2032 -6.2032 -5.5343 -5.5343 -5.3325 -5.3325 -5.2856 -5.2856 -5.1501 -5.1501 -2.5118 -2.5118 1.5469 1.5469 1.6908 1.6908 3.0511 3.0511 3.6183 3.6183 3.9163 3.9163 4.6717 4.6717 5.3982 5.3982 5.7797 5.7797 7.0981 7.0981 7.3689 7.3689 10.0768 10.0768 10.1035 10.1035 Writing output data file Rb2PtC2.save init_run : 0.45s CPU 0.66s WALL ( 1 calls) electrons : 141.44s CPU 144.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 141.44s CPU 144.74s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.11s CPU 0.17s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 290 calls) cegterg : 129.30s CPU 130.87s WALL ( 457 calls) Called by sum_band: Called by *egterg: h_psi : 79.49s CPU 80.56s WALL ( 7479 calls) s_psi : 3.75s CPU 3.76s WALL ( 7479 calls) g_psi : 0.21s CPU 0.18s WALL ( 6732 calls) cdiaghg : 44.11s CPU 44.66s WALL ( 7022 calls) cegterg:over : 4.18s CPU 4.26s WALL ( 6732 calls) cegterg:upda : 4.16s CPU 4.08s WALL ( 6732 calls) cegterg:last : 1.76s CPU 1.86s WALL ( 1190 calls) cdiaghg:chol : 2.39s CPU 2.56s WALL ( 7022 calls) cdiaghg:inve : 1.67s CPU 1.54s WALL ( 7022 calls) cdiaghg:para : 2.66s CPU 2.67s WALL ( 14044 calls) Called by h_psi: h_psi:vloc : 70.36s CPU 71.54s WALL ( 7479 calls) h_psi:vnl : 8.95s CPU 8.84s WALL ( 7479 calls) add_vuspsi : 4.49s CPU 4.39s WALL ( 7479 calls) General routines calbec : 4.43s CPU 4.44s WALL ( 7479 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 64.99s CPU 65.93s WALL ( 653624 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.16s WALL ( 580 calls) Parallel routines fft_scatter : 21.19s CPU 21.31s WALL ( 653647 calls) PWSCF : 2m34.44s CPU 2m54.12s WALL This run was terminated on: 16:26:20 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=