Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:23:36 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: ./Rb2PdC2.save/ file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S 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 107 46 13 5297 1496 231 Max 108 47 14 5302 1523 233 Sum 3853 1663 475 190755 54307 8325 bravais-lattice index = 14 lattice parameter (alat) = 10.1253 a.u. unit-cell volume = 887.3724 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.125341 celldm(2)= 1.000000 celldm(3)= 0.987066 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 0.987066 ) 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 1.013103 ) PseudoPot. # 1 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 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 Pd 18.00 106.42000 Pd( 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= 287 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0147059 0.0084904 -0.0000000), wk = 0.0034843 k( 3) = ( 0.0294118 0.0169809 -0.0000000), wk = 0.0034843 k( 4) = ( 0.0441177 0.0254713 -0.0000000), wk = 0.0034843 k( 5) = ( 0.0588235 0.0339618 -0.0000000), wk = 0.0034843 k( 6) = ( 0.0735294 0.0424522 -0.0000000), wk = 0.0034843 k( 7) = ( 0.0882353 0.0509427 -0.0000000), wk = 0.0034843 k( 8) = ( 0.1029412 0.0594331 -0.0000000), wk = 0.0034843 k( 9) = ( 0.1176471 0.0679236 -0.0000000), wk = 0.0034843 k( 10) = ( 0.1323529 0.0764140 -0.0000000), wk = 0.0034843 k( 11) = ( 0.1470588 0.0849044 -0.0000000), wk = 0.0034843 k( 12) = ( 0.1617647 0.0933949 -0.0000000), wk = 0.0034843 k( 13) = ( 0.1764706 0.1018853 -0.0000000), wk = 0.0034843 k( 14) = ( 0.1911765 0.1103758 -0.0000000), wk = 0.0034843 k( 15) = ( 0.2058823 0.1188662 -0.0000000), wk = 0.0034843 k( 16) = ( 0.2205882 0.1273567 -0.0000000), wk = 0.0034843 k( 17) = ( 0.2352941 0.1358471 -0.0000000), wk = 0.0034843 k( 18) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0034843 k( 19) = ( 0.2647059 0.1528280 -0.0000000), wk = 0.0034843 k( 20) = ( 0.2794118 0.1613185 -0.0000000), wk = 0.0034843 k( 21) = ( 0.2941177 0.1698089 -0.0000000), wk = 0.0034843 k( 22) = ( 0.3088235 0.1782993 -0.0000000), wk = 0.0034843 k( 23) = ( 0.3235294 0.1867898 -0.0000000), wk = 0.0034843 k( 24) = ( 0.3382353 0.1952802 -0.0000000), wk = 0.0034843 k( 25) = ( 0.3529412 0.2037707 -0.0000000), wk = 0.0034843 k( 26) = ( 0.3676471 0.2122611 -0.0000000), wk = 0.0034843 k( 27) = ( 0.3823529 0.2207516 -0.0000000), wk = 0.0034843 k( 28) = ( 0.3970588 0.2292420 -0.0000000), wk = 0.0034843 k( 29) = ( 0.4117647 0.2377325 -0.0000000), wk = 0.0034843 k( 30) = ( 0.4264706 0.2462229 -0.0000000), wk = 0.0034843 k( 31) = ( 0.4411765 0.2547134 -0.0000000), wk = 0.0034843 k( 32) = ( 0.4558823 0.2632038 -0.0000000), wk = 0.0034843 k( 33) = ( 0.4705882 0.2716942 -0.0000000), wk = 0.0034843 k( 34) = ( 0.4852941 0.2801847 -0.0000000), wk = 0.0034843 k( 35) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034843 k( 36) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034843 k( 37) = ( 0.4916667 0.3031089 -0.0000000), wk = 0.0034843 k( 38) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0034843 k( 39) = ( 0.4750000 0.3319764 -0.0000000), wk = 0.0034843 k( 40) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0034843 k( 41) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0034843 k( 42) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0034843 k( 43) = ( 0.4416667 0.3897114 -0.0000000), wk = 0.0034843 k( 44) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0034843 k( 45) = ( 0.4250000 0.4185789 -0.0000000), wk = 0.0034843 k( 46) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0034843 k( 47) = ( 0.4083333 0.4474465 -0.0000000), wk = 0.0034843 k( 48) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0034843 k( 49) = ( 0.3916667 0.4763140 -0.0000000), wk = 0.0034843 k( 50) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0034843 k( 51) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0034843 k( 52) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0034843 k( 53) = ( 0.3583333 0.5340490 -0.0000000), wk = 0.0034843 k( 54) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0034843 k( 55) = ( 0.3416667 0.5629165 -0.0000000), wk = 0.0034843 k( 56) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034843 k( 57) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034843 k( 58) = ( 0.3250000 0.5629165 -0.0000000), wk = 0.0034843 k( 59) = ( 0.3166667 0.5484828 -0.0000000), wk = 0.0034843 k( 60) = ( 0.3083333 0.5340490 -0.0000000), wk = 0.0034843 k( 61) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0034843 k( 62) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0034843 k( 63) = ( 0.2833333 0.4907477 -0.0000000), wk = 0.0034843 k( 64) = ( 0.2750000 0.4763140 -0.0000000), wk = 0.0034843 k( 65) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0034843 k( 66) = ( 0.2583333 0.4474465 -0.0000000), wk = 0.0034843 k( 67) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0034843 k( 68) = ( 0.2416667 0.4185790 -0.0000000), wk = 0.0034843 k( 69) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0034843 k( 70) = ( 0.2250000 0.3897114 -0.0000000), wk = 0.0034843 k( 71) = ( 0.2166667 0.3752777 -0.0000000), wk = 0.0034843 k( 72) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0034843 k( 73) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0034843 k( 74) = ( 0.1916667 0.3319764 -0.0000000), wk = 0.0034843 k( 75) = ( 0.1833333 0.3175426 -0.0000000), wk = 0.0034843 k( 76) = ( 0.1750000 0.3031089 -0.0000000), wk = 0.0034843 k( 77) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0034843 k( 78) = ( 0.1583333 0.2742414 -0.0000000), wk = 0.0034843 k( 79) = ( 0.1500000 0.2598076 -0.0000000), wk = 0.0034843 k( 80) = ( 0.1416667 0.2453739 -0.0000000), wk = 0.0034843 k( 81) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0034843 k( 82) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0034843 k( 83) = ( 0.1166667 0.2020726 -0.0000000), wk = 0.0034843 k( 84) = ( 0.1083333 0.1876388 -0.0000000), wk = 0.0034843 k( 85) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0034843 k( 86) = ( 0.0916667 0.1587713 -0.0000000), wk = 0.0034843 k( 87) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0034843 k( 88) = ( 0.0750000 0.1299038 -0.0000000), wk = 0.0034843 k( 89) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0034843 k( 90) = ( 0.0583333 0.1010363 -0.0000000), wk = 0.0034843 k( 91) = ( 0.0500000 0.0866025 -0.0000000), wk = 0.0034843 k( 92) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0034843 k( 93) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0034843 k( 94) = ( 0.0250000 0.0433013 -0.0000000), wk = 0.0034843 k( 95) = ( 0.0166667 0.0288675 -0.0000000), wk = 0.0034843 k( 96) = ( 0.0083333 0.0144338 -0.0000000), wk = 0.0034843 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 99) = ( 0.0000000 0.0000000 0.0168851), wk = 0.0034843 k( 100) = ( 0.0000000 0.0000000 0.0337701), wk = 0.0034843 k( 101) = ( 0.0000000 0.0000000 0.0506552), wk = 0.0034843 k( 102) = ( 0.0000000 0.0000000 0.0675402), wk = 0.0034843 k( 103) = ( 0.0000000 0.0000000 0.0844253), wk = 0.0034843 k( 104) = ( 0.0000000 0.0000000 0.1013103), wk = 0.0034843 k( 105) = ( 0.0000000 0.0000000 0.1181954), wk = 0.0034843 k( 106) = ( 0.0000000 0.0000000 0.1350804), wk = 0.0034843 k( 107) = ( 0.0000000 0.0000000 0.1519655), wk = 0.0034843 k( 108) = ( 0.0000000 0.0000000 0.1688505), wk = 0.0034843 k( 109) = ( 0.0000000 0.0000000 0.1857356), wk = 0.0034843 k( 110) = ( 0.0000000 0.0000000 0.2026206), wk = 0.0034843 k( 111) = ( 0.0000000 0.0000000 0.2195057), wk = 0.0034843 k( 112) = ( 0.0000000 0.0000000 0.2363907), wk = 0.0034843 k( 113) = ( 0.0000000 0.0000000 0.2532758), wk = 0.0034843 k( 114) = ( 0.0000000 0.0000000 0.2701608), wk = 0.0034843 k( 115) = ( 0.0000000 0.0000000 0.2870459), wk = 0.0034843 k( 116) = ( 0.0000000 0.0000000 0.3039309), wk = 0.0034843 k( 117) = ( 0.0000000 0.0000000 0.3208160), wk = 0.0034843 k( 118) = ( 0.0000000 0.0000000 0.3377011), wk = 0.0034843 k( 119) = ( 0.0000000 0.0000000 0.3545861), wk = 0.0034843 k( 120) = ( 0.0000000 0.0000000 0.3714712), wk = 0.0034843 k( 121) = ( 0.0000000 0.0000000 0.3883562), wk = 0.0034843 k( 122) = ( 0.0000000 0.0000000 0.4052413), wk = 0.0034843 k( 123) = ( 0.0000000 0.0000000 0.4221263), wk = 0.0034843 k( 124) = ( 0.0000000 0.0000000 0.4390114), wk = 0.0034843 k( 125) = ( 0.0000000 0.0000000 0.4558964), wk = 0.0034843 k( 126) = ( 0.0000000 0.0000000 0.4727815), wk = 0.0034843 k( 127) = ( 0.0000000 0.0000000 0.4896665), wk = 0.0034843 k( 128) = ( 0.0000000 0.0000000 0.5065516), wk = 0.0034843 k( 129) = ( 0.0000000 0.0000000 0.5065516), wk = 0.0034843 k( 130) = ( 0.0147059 0.0084904 0.5065516), wk = 0.0034843 k( 131) = ( 0.0294118 0.0169809 0.5065516), wk = 0.0034843 k( 132) = ( 0.0441177 0.0254713 0.5065516), wk = 0.0034843 k( 133) = ( 0.0588235 0.0339618 0.5065516), wk = 0.0034843 k( 134) = ( 0.0735294 0.0424522 0.5065516), wk = 0.0034843 k( 135) = ( 0.0882353 0.0509427 0.5065516), wk = 0.0034843 k( 136) = ( 0.1029412 0.0594331 0.5065516), wk = 0.0034843 k( 137) = ( 0.1176471 0.0679236 0.5065516), wk = 0.0034843 k( 138) = ( 0.1323529 0.0764140 0.5065516), wk = 0.0034843 k( 139) = ( 0.1470588 0.0849044 0.5065516), wk = 0.0034843 k( 140) = ( 0.1617647 0.0933949 0.5065516), wk = 0.0034843 k( 141) = ( 0.1764706 0.1018853 0.5065516), wk = 0.0034843 k( 142) = ( 0.1911765 0.1103758 0.5065516), wk = 0.0034843 k( 143) = ( 0.2058823 0.1188662 0.5065516), wk = 0.0034843 k( 144) = ( 0.2205882 0.1273567 0.5065516), wk = 0.0034843 k( 145) = ( 0.2352941 0.1358471 0.5065516), wk = 0.0034843 k( 146) = ( 0.2500000 0.1443376 0.5065516), wk = 0.0034843 k( 147) = ( 0.2647059 0.1528280 0.5065516), wk = 0.0034843 k( 148) = ( 0.2794118 0.1613185 0.5065516), wk = 0.0034843 k( 149) = ( 0.2941177 0.1698089 0.5065516), wk = 0.0034843 k( 150) = ( 0.3088235 0.1782993 0.5065516), wk = 0.0034843 k( 151) = ( 0.3235294 0.1867898 0.5065516), wk = 0.0034843 k( 152) = ( 0.3382353 0.1952802 0.5065516), wk = 0.0034843 k( 153) = ( 0.3529412 0.2037707 0.5065516), wk = 0.0034843 k( 154) = ( 0.3676471 0.2122611 0.5065516), wk = 0.0034843 k( 155) = ( 0.3823529 0.2207516 0.5065516), wk = 0.0034843 k( 156) = ( 0.3970588 0.2292420 0.5065516), wk = 0.0034843 k( 157) = ( 0.4117647 0.2377325 0.5065516), wk = 0.0034843 k( 158) = ( 0.4264706 0.2462229 0.5065516), wk = 0.0034843 k( 159) = ( 0.4411765 0.2547134 0.5065516), wk = 0.0034843 k( 160) = ( 0.4558823 0.2632038 0.5065516), wk = 0.0034843 k( 161) = ( 0.4705882 0.2716942 0.5065516), wk = 0.0034843 k( 162) = ( 0.4852941 0.2801847 0.5065516), wk = 0.0034843 k( 163) = ( 0.5000000 0.2886751 0.5065516), wk = 0.0034843 k( 164) = ( 0.5000000 0.2886751 0.5065516), wk = 0.0034843 k( 165) = ( 0.4916667 0.3031089 0.5065516), wk = 0.0034843 k( 166) = ( 0.4833333 0.3175426 0.5065516), wk = 0.0034843 k( 167) = ( 0.4750000 0.3319764 0.5065516), wk = 0.0034843 k( 168) = ( 0.4666667 0.3464102 0.5065516), wk = 0.0034843 k( 169) = ( 0.4583333 0.3608439 0.5065516), wk = 0.0034843 k( 170) = ( 0.4500000 0.3752777 0.5065516), wk = 0.0034843 k( 171) = ( 0.4416667 0.3897114 0.5065516), wk = 0.0034843 k( 172) = ( 0.4333333 0.4041452 0.5065516), wk = 0.0034843 k( 173) = ( 0.4250000 0.4185789 0.5065516), wk = 0.0034843 k( 174) = ( 0.4166667 0.4330127 0.5065516), wk = 0.0034843 k( 175) = ( 0.4083333 0.4474465 0.5065516), wk = 0.0034843 k( 176) = ( 0.4000000 0.4618802 0.5065516), wk = 0.0034843 k( 177) = ( 0.3916667 0.4763140 0.5065516), wk = 0.0034843 k( 178) = ( 0.3833333 0.4907477 0.5065516), wk = 0.0034843 k( 179) = ( 0.3750000 0.5051815 0.5065516), wk = 0.0034843 k( 180) = ( 0.3666667 0.5196152 0.5065516), wk = 0.0034843 k( 181) = ( 0.3583333 0.5340490 0.5065516), wk = 0.0034843 k( 182) = ( 0.3500000 0.5484828 0.5065516), wk = 0.0034843 k( 183) = ( 0.3416667 0.5629165 0.5065516), wk = 0.0034843 k( 184) = ( 0.3333333 0.5773503 0.5065516), wk = 0.0034843 k( 185) = ( 0.3333333 0.5773503 0.5065516), wk = 0.0034843 k( 186) = ( 0.3250000 0.5629165 0.5065516), wk = 0.0034843 k( 187) = ( 0.3166667 0.5484828 0.5065516), wk = 0.0034843 k( 188) = ( 0.3083333 0.5340490 0.5065516), wk = 0.0034843 k( 189) = ( 0.3000000 0.5196152 0.5065516), wk = 0.0034843 k( 190) = ( 0.2916667 0.5051815 0.5065516), wk = 0.0034843 k( 191) = ( 0.2833333 0.4907477 0.5065516), wk = 0.0034843 k( 192) = ( 0.2750000 0.4763140 0.5065516), wk = 0.0034843 k( 193) = ( 0.2666667 0.4618802 0.5065516), wk = 0.0034843 k( 194) = ( 0.2583333 0.4474465 0.5065516), wk = 0.0034843 k( 195) = ( 0.2500000 0.4330127 0.5065516), wk = 0.0034843 k( 196) = ( 0.2416667 0.4185790 0.5065516), wk = 0.0034843 k( 197) = ( 0.2333333 0.4041452 0.5065516), wk = 0.0034843 k( 198) = ( 0.2250000 0.3897114 0.5065516), wk = 0.0034843 k( 199) = ( 0.2166667 0.3752777 0.5065516), wk = 0.0034843 k( 200) = ( 0.2083333 0.3608439 0.5065516), wk = 0.0034843 k( 201) = ( 0.2000000 0.3464102 0.5065516), wk = 0.0034843 k( 202) = ( 0.1916667 0.3319764 0.5065516), wk = 0.0034843 k( 203) = ( 0.1833333 0.3175426 0.5065516), wk = 0.0034843 k( 204) = ( 0.1750000 0.3031089 0.5065516), wk = 0.0034843 k( 205) = ( 0.1666667 0.2886751 0.5065516), wk = 0.0034843 k( 206) = ( 0.1583333 0.2742414 0.5065516), wk = 0.0034843 k( 207) = ( 0.1500000 0.2598076 0.5065516), wk = 0.0034843 k( 208) = ( 0.1416667 0.2453739 0.5065516), wk = 0.0034843 k( 209) = ( 0.1333333 0.2309401 0.5065516), wk = 0.0034843 k( 210) = ( 0.1250000 0.2165064 0.5065516), wk = 0.0034843 k( 211) = ( 0.1166667 0.2020726 0.5065516), wk = 0.0034843 k( 212) = ( 0.1083333 0.1876388 0.5065516), wk = 0.0034843 k( 213) = ( 0.1000000 0.1732051 0.5065516), wk = 0.0034843 k( 214) = ( 0.0916667 0.1587713 0.5065516), wk = 0.0034843 k( 215) = ( 0.0833333 0.1443376 0.5065516), wk = 0.0034843 k( 216) = ( 0.0750000 0.1299038 0.5065516), wk = 0.0034843 k( 217) = ( 0.0666667 0.1154701 0.5065516), wk = 0.0034843 k( 218) = ( 0.0583333 0.1010363 0.5065516), wk = 0.0034843 k( 219) = ( 0.0500000 0.0866025 0.5065516), wk = 0.0034843 k( 220) = ( 0.0416667 0.0721688 0.5065516), wk = 0.0034843 k( 221) = ( 0.0333333 0.0577350 0.5065516), wk = 0.0034843 k( 222) = ( 0.0250000 0.0433013 0.5065516), wk = 0.0034843 k( 223) = ( 0.0166667 0.0288675 0.5065516), wk = 0.0034843 k( 224) = ( 0.0083333 0.0144338 0.5065516), wk = 0.0034843 k( 225) = ( 0.0000000 0.0000000 0.5065516), wk = 0.0034843 k( 226) = ( 0.5000000 0.2886751 0.5065516), wk = 0.0034843 k( 227) = ( 0.5000000 0.2886751 0.4896665), wk = 0.0034843 k( 228) = ( 0.5000000 0.2886751 0.4727815), wk = 0.0034843 k( 229) = ( 0.5000000 0.2886751 0.4558964), wk = 0.0034843 k( 230) = ( 0.5000000 0.2886751 0.4390114), wk = 0.0034843 k( 231) = ( 0.5000000 0.2886751 0.4221263), wk = 0.0034843 k( 232) = ( 0.5000000 0.2886751 0.4052413), wk = 0.0034843 k( 233) = ( 0.5000000 0.2886751 0.3883562), wk = 0.0034843 k( 234) = ( 0.5000000 0.2886751 0.3714712), wk = 0.0034843 k( 235) = ( 0.5000000 0.2886751 0.3545861), wk = 0.0034843 k( 236) = ( 0.5000000 0.2886751 0.3377011), wk = 0.0034843 k( 237) = ( 0.5000000 0.2886751 0.3208160), wk = 0.0034843 k( 238) = ( 0.5000000 0.2886751 0.3039309), wk = 0.0034843 k( 239) = ( 0.5000000 0.2886751 0.2870459), wk = 0.0034843 k( 240) = ( 0.5000000 0.2886751 0.2701608), wk = 0.0034843 k( 241) = ( 0.5000000 0.2886751 0.2532758), wk = 0.0034843 k( 242) = ( 0.5000000 0.2886751 0.2363907), wk = 0.0034843 k( 243) = ( 0.5000000 0.2886751 0.2195057), wk = 0.0034843 k( 244) = ( 0.5000000 0.2886751 0.2026206), wk = 0.0034843 k( 245) = ( 0.5000000 0.2886751 0.1857356), wk = 0.0034843 k( 246) = ( 0.5000000 0.2886751 0.1688505), wk = 0.0034843 k( 247) = ( 0.5000000 0.2886751 0.1519655), wk = 0.0034843 k( 248) = ( 0.5000000 0.2886751 0.1350804), wk = 0.0034843 k( 249) = ( 0.5000000 0.2886751 0.1181954), wk = 0.0034843 k( 250) = ( 0.5000000 0.2886751 0.1013103), wk = 0.0034843 k( 251) = ( 0.5000000 0.2886751 0.0844253), wk = 0.0034843 k( 252) = ( 0.5000000 0.2886751 0.0675402), wk = 0.0034843 k( 253) = ( 0.5000000 0.2886751 0.0506552), wk = 0.0034843 k( 254) = ( 0.5000000 0.2886751 0.0337701), wk = 0.0034843 k( 255) = ( 0.5000000 0.2886751 0.0168851), wk = 0.0034843 k( 256) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034843 k( 257) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034843 k( 258) = ( 0.3333333 0.5773503 0.0168851), wk = 0.0034843 k( 259) = ( 0.3333333 0.5773503 0.0337701), wk = 0.0034843 k( 260) = ( 0.3333333 0.5773503 0.0506552), wk = 0.0034843 k( 261) = ( 0.3333333 0.5773503 0.0675402), wk = 0.0034843 k( 262) = ( 0.3333333 0.5773503 0.0844253), wk = 0.0034843 k( 263) = ( 0.3333333 0.5773503 0.1013103), wk = 0.0034843 k( 264) = ( 0.3333333 0.5773503 0.1181954), wk = 0.0034843 k( 265) = ( 0.3333333 0.5773503 0.1350804), wk = 0.0034843 k( 266) = ( 0.3333333 0.5773503 0.1519655), wk = 0.0034843 k( 267) = ( 0.3333333 0.5773503 0.1688505), wk = 0.0034843 k( 268) = ( 0.3333333 0.5773503 0.1857356), wk = 0.0034843 k( 269) = ( 0.3333333 0.5773503 0.2026206), wk = 0.0034843 k( 270) = ( 0.3333333 0.5773503 0.2195057), wk = 0.0034843 k( 271) = ( 0.3333333 0.5773503 0.2363907), wk = 0.0034843 k( 272) = ( 0.3333333 0.5773503 0.2532758), wk = 0.0034843 k( 273) = ( 0.3333333 0.5773503 0.2701608), wk = 0.0034843 k( 274) = ( 0.3333333 0.5773503 0.2870459), wk = 0.0034843 k( 275) = ( 0.3333333 0.5773503 0.3039309), wk = 0.0034843 k( 276) = ( 0.3333333 0.5773503 0.3208160), wk = 0.0034843 k( 277) = ( 0.3333333 0.5773503 0.3377011), wk = 0.0034843 k( 278) = ( 0.3333333 0.5773503 0.3545861), wk = 0.0034843 k( 279) = ( 0.3333333 0.5773503 0.3714712), wk = 0.0034843 k( 280) = ( 0.3333333 0.5773503 0.3883562), wk = 0.0034843 k( 281) = ( 0.3333333 0.5773503 0.4052413), wk = 0.0034843 k( 282) = ( 0.3333333 0.5773503 0.4221263), wk = 0.0034843 k( 283) = ( 0.3333333 0.5773503 0.4390114), wk = 0.0034843 k( 284) = ( 0.3333333 0.5773503 0.4558964), wk = 0.0034843 k( 285) = ( 0.3333333 0.5773503 0.4727815), wk = 0.0034843 k( 286) = ( 0.3333333 0.5773503 0.4896665), wk = 0.0034843 k( 287) = ( 0.3333333 0.5773503 0.5065516), wk = 0.0034843 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0147059 -0.0000000 0.0000000), wk = 0.0034843 k( 3) = ( 0.0294118 -0.0000000 0.0000000), wk = 0.0034843 k( 4) = ( 0.0441177 0.0000000 0.0000000), wk = 0.0034843 k( 5) = ( 0.0588235 0.0000000 0.0000000), wk = 0.0034843 k( 6) = ( 0.0735294 0.0000000 0.0000000), wk = 0.0034843 k( 7) = ( 0.0882353 0.0000000 -0.0000000), wk = 0.0034843 k( 8) = ( 0.1029412 0.0000000 0.0000000), wk = 0.0034843 k( 9) = ( 0.1176471 0.0000000 0.0000000), wk = 0.0034843 k( 10) = ( 0.1323529 0.0000000 0.0000000), wk = 0.0034843 k( 11) = ( 0.1470588 0.0000000 0.0000000), wk = 0.0034843 k( 12) = ( 0.1617647 0.0000000 0.0000000), wk = 0.0034843 k( 13) = ( 0.1764706 0.0000000 0.0000000), wk = 0.0034843 k( 14) = ( 0.1911765 0.0000000 0.0000000), wk = 0.0034843 k( 15) = ( 0.2058823 0.0000000 0.0000000), wk = 0.0034843 k( 16) = ( 0.2205882 -0.0000000 0.0000000), wk = 0.0034843 k( 17) = ( 0.2352941 0.0000000 0.0000000), wk = 0.0034843 k( 18) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0034843 k( 19) = ( 0.2647059 0.0000000 0.0000000), wk = 0.0034843 k( 20) = ( 0.2794118 0.0000000 0.0000000), wk = 0.0034843 k( 21) = ( 0.2941177 0.0000000 0.0000000), wk = 0.0034843 k( 22) = ( 0.3088235 0.0000000 0.0000000), wk = 0.0034843 k( 23) = ( 0.3235294 0.0000000 0.0000000), wk = 0.0034843 k( 24) = ( 0.3382353 0.0000000 0.0000000), wk = 0.0034843 k( 25) = ( 0.3529412 0.0000000 0.0000000), wk = 0.0034843 k( 26) = ( 0.3676471 0.0000000 0.0000000), wk = 0.0034843 k( 27) = ( 0.3823529 0.0000000 0.0000000), wk = 0.0034843 k( 28) = ( 0.3970588 0.0000000 -0.0000000), wk = 0.0034843 k( 29) = ( 0.4117647 0.0000000 0.0000000), wk = 0.0034843 k( 30) = ( 0.4264706 0.0000000 0.0000000), wk = 0.0034843 k( 31) = ( 0.4411765 0.0000000 -0.0000000), wk = 0.0034843 k( 32) = ( 0.4558823 0.0000000 0.0000000), wk = 0.0034843 k( 33) = ( 0.4705882 0.0000000 0.0000000), wk = 0.0034843 k( 34) = ( 0.4852941 -0.0000000 0.0000000), wk = 0.0034843 k( 35) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034843 k( 36) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034843 k( 37) = ( 0.4916667 0.0166667 0.0000000), wk = 0.0034843 k( 38) = ( 0.4833333 0.0333333 -0.0000000), wk = 0.0034843 k( 39) = ( 0.4750000 0.0500000 0.0000000), wk = 0.0034843 k( 40) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0034843 k( 41) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0034843 k( 42) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0034843 k( 43) = ( 0.4416667 0.1166667 0.0000000), wk = 0.0034843 k( 44) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0034843 k( 45) = ( 0.4250000 0.1500000 0.0000000), wk = 0.0034843 k( 46) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0034843 k( 47) = ( 0.4083333 0.1833333 0.0000000), wk = 0.0034843 k( 48) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0034843 k( 49) = ( 0.3916667 0.2166667 0.0000000), wk = 0.0034843 k( 50) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0034843 k( 51) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0034843 k( 52) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0034843 k( 53) = ( 0.3583333 0.2833333 0.0000000), wk = 0.0034843 k( 54) = ( 0.3500000 0.3000000 0.0000000), wk = 0.0034843 k( 55) = ( 0.3416667 0.3166667 0.0000000), wk = 0.0034843 k( 56) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034843 k( 57) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034843 k( 58) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0034843 k( 59) = ( 0.3166667 0.3166667 0.0000000), wk = 0.0034843 k( 60) = ( 0.3083333 0.3083333 0.0000000), wk = 0.0034843 k( 61) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0034843 k( 62) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0034843 k( 63) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0034843 k( 64) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0034843 k( 65) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0034843 k( 66) = ( 0.2583333 0.2583333 0.0000000), wk = 0.0034843 k( 67) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0034843 k( 68) = ( 0.2416667 0.2416667 0.0000000), wk = 0.0034843 k( 69) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0034843 k( 70) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0034843 k( 71) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0034843 k( 72) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0034843 k( 73) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0034843 k( 74) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0034843 k( 75) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0034843 k( 76) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0034843 k( 77) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0034843 k( 78) = ( 0.1583333 0.1583333 -0.0000000), wk = 0.0034843 k( 79) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0034843 k( 80) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0034843 k( 81) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0034843 k( 82) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0034843 k( 83) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0034843 k( 84) = ( 0.1083333 0.1083333 0.0000000), wk = 0.0034843 k( 85) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0034843 k( 86) = ( 0.0916667 0.0916667 -0.0000000), wk = 0.0034843 k( 87) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0034843 k( 88) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0034843 k( 89) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0034843 k( 90) = ( 0.0583333 0.0583333 0.0000000), wk = 0.0034843 k( 91) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0034843 k( 92) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0034843 k( 93) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0034843 k( 94) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0034843 k( 95) = ( 0.0166667 0.0166667 0.0000000), wk = 0.0034843 k( 96) = ( 0.0083333 0.0083333 0.0000000), wk = 0.0034843 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 99) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0034843 k( 100) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0034843 k( 101) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0034843 k( 102) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0034843 k( 103) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0034843 k( 104) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0034843 k( 105) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0034843 k( 106) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0034843 k( 107) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0034843 k( 108) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034843 k( 109) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0034843 k( 110) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0034843 k( 111) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0034843 k( 112) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0034843 k( 113) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034843 k( 114) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0034843 k( 115) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0034843 k( 116) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0034843 k( 117) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0034843 k( 118) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034843 k( 119) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0034843 k( 120) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0034843 k( 121) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0034843 k( 122) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0034843 k( 123) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0034843 k( 124) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0034843 k( 125) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0034843 k( 126) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0034843 k( 127) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0034843 k( 128) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034843 k( 129) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034843 k( 130) = ( 0.0147059 -0.0000000 0.5000000), wk = 0.0034843 k( 131) = ( 0.0294118 -0.0000000 0.5000000), wk = 0.0034843 k( 132) = ( 0.0441177 0.0000000 0.5000000), wk = 0.0034843 k( 133) = ( 0.0588235 0.0000000 0.5000000), wk = 0.0034843 k( 134) = ( 0.0735294 0.0000000 0.5000000), wk = 0.0034843 k( 135) = ( 0.0882353 0.0000000 0.5000000), wk = 0.0034843 k( 136) = ( 0.1029412 0.0000000 0.5000000), wk = 0.0034843 k( 137) = ( 0.1176471 0.0000000 0.5000000), wk = 0.0034843 k( 138) = ( 0.1323529 0.0000000 0.5000000), wk = 0.0034843 k( 139) = ( 0.1470588 0.0000000 0.5000000), wk = 0.0034843 k( 140) = ( 0.1617647 0.0000000 0.5000000), wk = 0.0034843 k( 141) = ( 0.1764706 0.0000000 0.5000000), wk = 0.0034843 k( 142) = ( 0.1911765 0.0000000 0.5000000), wk = 0.0034843 k( 143) = ( 0.2058823 0.0000000 0.5000000), wk = 0.0034843 k( 144) = ( 0.2205882 -0.0000000 0.5000000), wk = 0.0034843 k( 145) = ( 0.2352941 0.0000000 0.5000000), wk = 0.0034843 k( 146) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0034843 k( 147) = ( 0.2647059 0.0000000 0.5000000), wk = 0.0034843 k( 148) = ( 0.2794118 0.0000000 0.5000000), wk = 0.0034843 k( 149) = ( 0.2941177 0.0000000 0.5000000), wk = 0.0034843 k( 150) = ( 0.3088235 0.0000000 0.5000000), wk = 0.0034843 k( 151) = ( 0.3235294 0.0000000 0.5000000), wk = 0.0034843 k( 152) = ( 0.3382353 0.0000000 0.5000000), wk = 0.0034843 k( 153) = ( 0.3529412 0.0000000 0.5000000), wk = 0.0034843 k( 154) = ( 0.3676471 0.0000000 0.5000000), wk = 0.0034843 k( 155) = ( 0.3823529 0.0000000 0.5000000), wk = 0.0034843 k( 156) = ( 0.3970588 0.0000000 0.5000000), wk = 0.0034843 k( 157) = ( 0.4117647 0.0000000 0.5000000), wk = 0.0034843 k( 158) = ( 0.4264706 0.0000000 0.5000000), wk = 0.0034843 k( 159) = ( 0.4411765 0.0000000 0.5000000), wk = 0.0034843 k( 160) = ( 0.4558823 0.0000000 0.5000000), wk = 0.0034843 k( 161) = ( 0.4705882 0.0000000 0.5000000), wk = 0.0034843 k( 162) = ( 0.4852941 -0.0000000 0.5000000), wk = 0.0034843 k( 163) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034843 k( 164) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034843 k( 165) = ( 0.4916667 0.0166667 0.5000000), wk = 0.0034843 k( 166) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0034843 k( 167) = ( 0.4750000 0.0500000 0.5000000), wk = 0.0034843 k( 168) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0034843 k( 169) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0034843 k( 170) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0034843 k( 171) = ( 0.4416667 0.1166667 0.5000000), wk = 0.0034843 k( 172) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0034843 k( 173) = ( 0.4250000 0.1500000 0.5000000), wk = 0.0034843 k( 174) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0034843 k( 175) = ( 0.4083333 0.1833333 0.5000000), wk = 0.0034843 k( 176) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0034843 k( 177) = ( 0.3916667 0.2166667 0.5000000), wk = 0.0034843 k( 178) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0034843 k( 179) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0034843 k( 180) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0034843 k( 181) = ( 0.3583333 0.2833333 0.5000000), wk = 0.0034843 k( 182) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0034843 k( 183) = ( 0.3416667 0.3166667 0.5000000), wk = 0.0034843 k( 184) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034843 k( 185) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034843 k( 186) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0034843 k( 187) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0034843 k( 188) = ( 0.3083333 0.3083333 0.5000000), wk = 0.0034843 k( 189) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0034843 k( 190) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0034843 k( 191) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0034843 k( 192) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0034843 k( 193) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0034843 k( 194) = ( 0.2583333 0.2583333 0.5000000), wk = 0.0034843 k( 195) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0034843 k( 196) = ( 0.2416667 0.2416667 0.5000000), wk = 0.0034843 k( 197) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0034843 k( 198) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0034843 k( 199) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0034843 k( 200) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0034843 k( 201) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0034843 k( 202) = ( 0.1916667 0.1916667 0.5000000), wk = 0.0034843 k( 203) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0034843 k( 204) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0034843 k( 205) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0034843 k( 206) = ( 0.1583333 0.1583333 0.5000000), wk = 0.0034843 k( 207) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0034843 k( 208) = ( 0.1416667 0.1416667 0.5000000), wk = 0.0034843 k( 209) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0034843 k( 210) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0034843 k( 211) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0034843 k( 212) = ( 0.1083333 0.1083333 0.5000000), wk = 0.0034843 k( 213) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0034843 k( 214) = ( 0.0916667 0.0916667 0.5000000), wk = 0.0034843 k( 215) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0034843 k( 216) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0034843 k( 217) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0034843 k( 218) = ( 0.0583333 0.0583333 0.5000000), wk = 0.0034843 k( 219) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0034843 k( 220) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0034843 k( 221) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0034843 k( 222) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0034843 k( 223) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0034843 k( 224) = ( 0.0083333 0.0083333 0.5000000), wk = 0.0034843 k( 225) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034843 k( 226) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034843 k( 227) = ( 0.5000000 0.0000000 0.4833333), wk = 0.0034843 k( 228) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0034843 k( 229) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0034843 k( 230) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0034843 k( 231) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0034843 k( 232) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0034843 k( 233) = ( 0.5000000 0.0000000 0.3833333), wk = 0.0034843 k( 234) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0034843 k( 235) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0034843 k( 236) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0034843 k( 237) = ( 0.5000000 0.0000000 0.3166667), wk = 0.0034843 k( 238) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0034843 k( 239) = ( 0.5000000 0.0000000 0.2833333), wk = 0.0034843 k( 240) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0034843 k( 241) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0034843 k( 242) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0034843 k( 243) = ( 0.5000000 0.0000000 0.2166667), wk = 0.0034843 k( 244) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0034843 k( 245) = ( 0.5000000 0.0000000 0.1833333), wk = 0.0034843 k( 246) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0034843 k( 247) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0034843 k( 248) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0034843 k( 249) = ( 0.5000000 0.0000000 0.1166667), wk = 0.0034843 k( 250) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0034843 k( 251) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0034843 k( 252) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0034843 k( 253) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0034843 k( 254) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0034843 k( 255) = ( 0.5000000 0.0000000 0.0166667), wk = 0.0034843 k( 256) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034843 k( 257) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034843 k( 258) = ( 0.3333333 0.3333333 0.0166667), wk = 0.0034843 k( 259) = ( 0.3333333 0.3333333 0.0333333), wk = 0.0034843 k( 260) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0034843 k( 261) = ( 0.3333333 0.3333333 0.0666667), wk = 0.0034843 k( 262) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0034843 k( 263) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0034843 k( 264) = ( 0.3333333 0.3333333 0.1166667), wk = 0.0034843 k( 265) = ( 0.3333333 0.3333333 0.1333333), wk = 0.0034843 k( 266) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0034843 k( 267) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0034843 k( 268) = ( 0.3333333 0.3333333 0.1833333), wk = 0.0034843 k( 269) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0034843 k( 270) = ( 0.3333333 0.3333333 0.2166667), wk = 0.0034843 k( 271) = ( 0.3333333 0.3333333 0.2333333), wk = 0.0034843 k( 272) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0034843 k( 273) = ( 0.3333333 0.3333333 0.2666667), wk = 0.0034843 k( 274) = ( 0.3333333 0.3333333 0.2833333), wk = 0.0034843 k( 275) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0034843 k( 276) = ( 0.3333333 0.3333333 0.3166667), wk = 0.0034843 k( 277) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034843 k( 278) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0034843 k( 279) = ( 0.3333333 0.3333333 0.3666667), wk = 0.0034843 k( 280) = ( 0.3333333 0.3333333 0.3833333), wk = 0.0034843 k( 281) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0034843 k( 282) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0034843 k( 283) = ( 0.3333333 0.3333333 0.4333333), wk = 0.0034843 k( 284) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0034843 k( 285) = ( 0.3333333 0.3333333 0.4666667), wk = 0.0034843 k( 286) = ( 0.3333333 0.3333333 0.4833333), wk = 0.0034843 k( 287) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034843 Dense grid: 190755 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 54307 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.31 Mb ( 392, 52) NL pseudopotentials 0.39 Mb ( 196, 130) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.04 Mb ( 5299) G-vector shells 0.02 Mb ( 2475) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.24 Mb ( 392, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.21 Mb ( 130, 2, 52) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Rb2PdC2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 5.9 secs Computing kpt #: 5 total cpu time spent up to now is 6.6 secs Computing kpt #: 6 total cpu time spent up to now is 7.2 secs Computing kpt #: 7 total cpu time spent up to now is 7.9 secs Computing kpt #: 8 total cpu time spent up to now is 8.6 secs Computing kpt #: 9 total cpu time spent up to now is 9.2 secs Computing kpt #: 10 total cpu time spent up to now is 9.9 secs Computing kpt #: 11 total cpu time spent up to now is 10.6 secs Computing kpt #: 12 total cpu time spent up to now is 11.1 secs Computing kpt #: 13 total cpu time spent up to now is 11.8 secs Computing kpt #: 14 total cpu time spent up to now is 12.5 secs Computing kpt #: 15 total cpu time spent up to now is 13.1 secs Computing kpt #: 16 total cpu time spent up to now is 13.8 secs Computing kpt #: 17 total cpu time spent up to now is 14.4 secs Computing kpt #: 18 total cpu time spent up to now is 15.1 secs Computing kpt #: 19 total cpu time spent up to now is 15.8 secs Computing kpt #: 20 total cpu time spent up to now is 16.4 secs Computing kpt #: 21 total cpu time spent up to now is 17.1 secs Computing kpt #: 22 total cpu time spent up to now is 17.8 secs Computing kpt #: 23 total cpu time spent up to now is 18.5 secs Computing kpt #: 24 total cpu time spent up to now is 19.2 secs Computing kpt #: 25 total cpu time spent up to now is 19.9 secs Computing kpt #: 26 total cpu time spent up to now is 20.6 secs Computing kpt #: 27 total cpu time spent up to now is 21.3 secs Computing kpt #: 28 total cpu time spent up to now is 22.0 secs Computing kpt #: 29 total cpu time spent up to now is 22.7 secs Computing kpt #: 30 total cpu time spent up to now is 23.3 secs Computing kpt #: 31 total cpu time spent up to now is 24.0 secs Computing kpt #: 32 total cpu time spent up to now is 24.7 secs Computing kpt #: 33 total cpu time spent up to now is 25.4 secs Computing kpt #: 34 total cpu time spent up to now is 26.0 secs Computing kpt #: 35 total cpu time spent up to now is 26.7 secs Computing kpt #: 36 total cpu time spent up to now is 27.4 secs Computing kpt #: 37 total cpu time spent up to now is 28.1 secs Computing kpt #: 38 total cpu time spent up to now is 28.8 secs Computing kpt #: 39 total cpu time spent up to now is 29.5 secs Computing kpt #: 40 total cpu time spent up to now is 30.2 secs Computing kpt #: 41 total cpu time spent up to now is 30.9 secs Computing kpt #: 42 total cpu time spent up to now is 31.6 secs Computing kpt #: 43 total cpu time spent up to now is 32.2 secs Computing kpt #: 44 total cpu time spent up to now is 32.9 secs Computing kpt #: 45 total cpu time spent up to now is 33.6 secs Computing kpt #: 46 total cpu time spent up to now is 34.2 secs Computing kpt #: 47 total cpu time spent up to now is 34.9 secs Computing kpt #: 48 total cpu time spent up to now is 35.6 secs Computing kpt #: 49 total cpu time spent up to now is 36.4 secs Computing kpt #: 50 total cpu time spent up to now is 37.1 secs Computing kpt #: 51 total cpu time spent up to now is 37.8 secs Computing kpt #: 52 total cpu time spent up to now is 38.5 secs Computing kpt #: 53 total cpu time spent up to now is 39.1 secs Computing kpt #: 54 total cpu time spent up to now is 39.8 secs Computing kpt #: 55 total cpu time spent up to now is 40.5 secs Computing kpt #: 56 total cpu time spent up to now is 41.2 secs Computing kpt #: 57 total cpu time spent up to now is 41.9 secs Computing kpt #: 58 total cpu time spent up to now is 42.5 secs Computing kpt #: 59 total cpu time spent up to now is 43.2 secs Computing kpt #: 60 total cpu time spent up to now is 43.9 secs Computing kpt #: 61 total cpu time spent up to now is 44.7 secs Computing kpt #: 62 total cpu time spent up to now is 45.5 secs Computing kpt #: 63 total cpu time spent up to now is 46.2 secs Computing kpt #: 64 total cpu time spent up to now is 46.9 secs Computing kpt #: 65 total cpu time spent up to now is 47.6 secs Computing kpt #: 66 total cpu time spent up to now is 48.3 secs Computing kpt #: 67 total cpu time spent up to now is 49.0 secs Computing kpt #: 68 total cpu time spent up to now is 49.7 secs Computing kpt #: 69 total cpu time spent up to now is 50.3 secs Computing kpt #: 70 total cpu time spent up to now is 51.0 secs Computing kpt #: 71 total cpu time spent up to now is 51.7 secs Computing kpt #: 72 total cpu time spent up to now is 52.3 secs Computing kpt #: 73 total cpu time spent up to now is 53.0 secs Computing kpt #: 74 total cpu time spent up to now is 53.7 secs Computing kpt #: 75 total cpu time spent up to now is 54.3 secs Computing kpt #: 76 total cpu time spent up to now is 55.0 secs Computing kpt #: 77 total cpu time spent up to now is 55.7 secs Computing kpt #: 78 total cpu time spent up to now is 56.4 secs Computing kpt #: 79 total cpu time spent up to now is 57.0 secs Computing kpt #: 80 total cpu time spent up to now is 57.7 secs Computing kpt #: 81 total cpu time spent up to now is 58.4 secs Computing kpt #: 82 total cpu time spent up to now is 59.0 secs Computing kpt #: 83 total cpu time spent up to now is 59.5 secs Computing kpt #: 84 total cpu time spent up to now is 60.2 secs Computing kpt #: 85 total cpu time spent up to now is 60.9 secs Computing kpt #: 86 total cpu time spent up to now is 61.5 secs Computing kpt #: 87 total cpu time spent up to now is 62.2 secs Computing kpt #: 88 total cpu time spent up to now is 62.9 secs Computing kpt #: 89 total cpu time spent up to now is 63.6 secs Computing kpt #: 90 total cpu time spent up to now is 64.2 secs Computing kpt #: 91 total cpu time spent up to now is 64.9 secs Computing kpt #: 92 total cpu time spent up to now is 65.6 secs Computing kpt #: 93 total cpu time spent up to now is 66.3 secs Computing kpt #: 94 total cpu time spent up to now is 67.0 secs Computing kpt #: 95 total cpu time spent up to now is 67.6 secs Computing kpt #: 96 total cpu time spent up to now is 68.3 secs Computing kpt #: 97 total cpu time spent up to now is 69.0 secs Computing kpt #: 98 total cpu time spent up to now is 69.6 secs Computing kpt #: 99 total cpu time spent up to now is 70.2 secs Computing kpt #: 100 total cpu time spent up to now is 70.8 secs Computing kpt #: 101 total cpu time spent up to now is 71.4 secs Computing kpt #: 102 total cpu time spent up to now is 72.0 secs Computing kpt #: 103 total cpu time spent up to now is 72.5 secs Computing kpt #: 104 total cpu time spent up to now is 73.1 secs Computing kpt #: 105 total cpu time spent up to now is 73.6 secs Computing kpt #: 106 total cpu time spent up to now is 74.1 secs Computing kpt #: 107 total cpu time spent up to now is 74.6 secs Computing kpt #: 108 total cpu time spent up to now is 75.2 secs Computing kpt #: 109 total cpu time spent up to now is 75.7 secs Computing kpt #: 110 total cpu time spent up to now is 76.2 secs Computing kpt #: 111 total cpu time spent up to now is 76.7 secs Computing kpt #: 112 total cpu time spent up to now is 77.2 secs Computing kpt #: 113 total cpu time spent up to now is 77.8 secs Computing kpt #: 114 total cpu time spent up to now is 78.3 secs Computing kpt #: 115 total cpu time spent up to now is 78.8 secs Computing kpt #: 116 total cpu time spent up to now is 79.3 secs Computing kpt #: 117 total cpu time spent up to now is 79.9 secs Computing kpt #: 118 total cpu time spent up to now is 80.4 secs Computing kpt #: 119 total cpu time spent up to now is 80.9 secs Computing kpt #: 120 total cpu time spent up to now is 81.4 secs Computing kpt #: 121 total cpu time spent up to now is 81.9 secs Computing kpt #: 122 total cpu time spent up to now is 82.5 secs Computing kpt #: 123 total cpu time spent up to now is 83.0 secs Computing kpt #: 124 total cpu time spent up to now is 83.5 secs Computing kpt #: 125 total cpu time spent up to now is 84.0 secs Computing kpt #: 126 total cpu time spent up to now is 84.4 secs Computing kpt #: 127 total cpu time spent up to now is 84.9 secs Computing kpt #: 128 total cpu time spent up to now is 85.4 secs Computing kpt #: 129 total cpu time spent up to now is 85.9 secs Computing kpt #: 130 total cpu time spent up to now is 86.4 secs Computing kpt #: 131 total cpu time spent up to now is 86.9 secs Computing kpt #: 132 total cpu time spent up to now is 87.4 secs Computing kpt #: 133 total cpu time spent up to now is 87.9 secs Computing kpt #: 134 total cpu time spent up to now is 88.4 secs Computing kpt #: 135 total cpu time spent up to now is 88.9 secs Computing kpt #: 136 total cpu time spent up to now is 89.4 secs Computing kpt #: 137 total cpu time spent up to now is 89.9 secs Computing kpt #: 138 total cpu time spent up to now is 90.4 secs Computing kpt #: 139 total cpu time spent up to now is 91.0 secs Computing kpt #: 140 total cpu time spent up to now is 91.5 secs Computing kpt #: 141 total cpu time spent up to now is 92.0 secs Computing kpt #: 142 total cpu time spent up to now is 92.6 secs Computing kpt #: 143 total cpu time spent up to now is 93.1 secs Computing kpt #: 144 total cpu time spent up to now is 93.6 secs Computing kpt #: 145 total cpu time spent up to now is 94.2 secs Computing kpt #: 146 total cpu time spent up to now is 94.7 secs Computing kpt #: 147 total cpu time spent up to now is 95.3 secs Computing kpt #: 148 total cpu time spent up to now is 95.8 secs Computing kpt #: 149 total cpu time spent up to now is 96.4 secs Computing kpt #: 150 total cpu time spent up to now is 96.9 secs Computing kpt #: 151 total cpu time spent up to now is 97.5 secs Computing kpt #: 152 total cpu time spent up to now is 98.0 secs Computing kpt #: 153 total cpu time spent up to now is 98.6 secs Computing kpt #: 154 total cpu time spent up to now is 99.1 secs Computing kpt #: 155 total cpu time spent up to now is 99.7 secs Computing kpt #: 156 total cpu time spent up to now is 100.3 secs Computing kpt #: 157 total cpu time spent up to now is 100.9 secs Computing kpt #: 158 total cpu time spent up to now is 101.5 secs Computing kpt #: 159 total cpu time spent up to now is 102.1 secs Computing kpt #: 160 total cpu time spent up to now is 102.6 secs Computing kpt #: 161 total cpu time spent up to now is 103.2 secs Computing kpt #: 162 total cpu time spent up to now is 103.8 secs Computing kpt #: 163 total cpu time spent up to now is 104.5 secs Computing kpt #: 164 total cpu time spent up to now is 105.2 secs Computing kpt #: 165 total cpu time spent up to now is 105.8 secs Computing kpt #: 166 total cpu time spent up to now is 106.5 secs Computing kpt #: 167 total cpu time spent up to now is 107.2 secs Computing kpt #: 168 total cpu time spent up to now is 107.8 secs Computing kpt #: 169 total cpu time spent up to now is 108.5 secs Computing kpt #: 170 total cpu time spent up to now is 109.2 secs Computing kpt #: 171 total cpu time spent up to now is 109.8 secs Computing kpt #: 172 total cpu time spent up to now is 110.5 secs Computing kpt #: 173 total cpu time spent up to now is 111.2 secs Computing kpt #: 174 total cpu time spent up to now is 111.9 secs Computing kpt #: 175 total cpu time spent up to now is 112.5 secs Computing kpt #: 176 total cpu time spent up to now is 113.2 secs Computing kpt #: 177 total cpu time spent up to now is 113.9 secs Computing kpt #: 178 total cpu time spent up to now is 114.6 secs Computing kpt #: 179 total cpu time spent up to now is 115.2 secs Computing kpt #: 180 total cpu time spent up to now is 115.9 secs Computing kpt #: 181 total cpu time spent up to now is 116.6 secs Computing kpt #: 182 total cpu time spent up to now is 117.3 secs Computing kpt #: 183 total cpu time spent up to now is 118.0 secs Computing kpt #: 184 total cpu time spent up to now is 118.7 secs Computing kpt #: 185 total cpu time spent up to now is 119.4 secs Computing kpt #: 186 total cpu time spent up to now is 120.1 secs Computing kpt #: 187 total cpu time spent up to now is 120.7 secs Computing kpt #: 188 total cpu time spent up to now is 121.3 secs Computing kpt #: 189 total cpu time spent up to now is 122.0 secs Computing kpt #: 190 total cpu time spent up to now is 122.7 secs Computing kpt #: 191 total cpu time spent up to now is 123.3 secs Computing kpt #: 192 total cpu time spent up to now is 124.0 secs Computing kpt #: 193 total cpu time spent up to now is 124.7 secs Computing kpt #: 194 total cpu time spent up to now is 125.3 secs Computing kpt #: 195 total cpu time spent up to now is 125.9 secs Computing kpt #: 196 total cpu time spent up to now is 126.5 secs Computing kpt #: 197 total cpu time spent up to now is 127.1 secs Computing kpt #: 198 total cpu time spent up to now is 127.7 secs Computing kpt #: 199 total cpu time spent up to now is 128.3 secs Computing kpt #: 200 total cpu time spent up to now is 128.9 secs Computing kpt #: 201 total cpu time spent up to now is 129.4 secs Computing kpt #: 202 total cpu time spent up to now is 130.0 secs Computing kpt #: 203 total cpu time spent up to now is 130.6 secs Computing kpt #: 204 total cpu time spent up to now is 131.1 secs Computing kpt #: 205 total cpu time spent up to now is 131.7 secs Computing kpt #: 206 total cpu time spent up to now is 132.2 secs Computing kpt #: 207 total cpu time spent up to now is 132.8 secs Computing kpt #: 208 total cpu time spent up to now is 133.3 secs Computing kpt #: 209 total cpu time spent up to now is 133.9 secs Computing kpt #: 210 total cpu time spent up to now is 134.4 secs Computing kpt #: 211 total cpu time spent up to now is 134.9 secs Computing kpt #: 212 total cpu time spent up to now is 135.4 secs Computing kpt #: 213 total cpu time spent up to now is 135.9 secs Computing kpt #: 214 total cpu time spent up to now is 136.5 secs Computing kpt #: 215 total cpu time spent up to now is 137.0 secs Computing kpt #: 216 total cpu time spent up to now is 137.5 secs Computing kpt #: 217 total cpu time spent up to now is 138.0 secs Computing kpt #: 218 total cpu time spent up to now is 138.5 secs Computing kpt #: 219 total cpu time spent up to now is 139.1 secs Computing kpt #: 220 total cpu time spent up to now is 139.5 secs Computing kpt #: 221 total cpu time spent up to now is 140.0 secs Computing kpt #: 222 total cpu time spent up to now is 140.5 secs Computing kpt #: 223 total cpu time spent up to now is 141.0 secs Computing kpt #: 224 total cpu time spent up to now is 142.3 secs Computing kpt #: 225 total cpu time spent up to now is 142.8 secs Computing kpt #: 226 total cpu time spent up to now is 143.5 secs Computing kpt #: 227 total cpu time spent up to now is 144.2 secs Computing kpt #: 228 total cpu time spent up to now is 144.8 secs Computing kpt #: 229 total cpu time spent up to now is 145.5 secs Computing kpt #: 230 total cpu time spent up to now is 146.1 secs Computing kpt #: 231 total cpu time spent up to now is 146.8 secs Computing kpt #: 232 total cpu time spent up to now is 147.4 secs Computing kpt #: 233 total cpu time spent up to now is 148.0 secs Computing kpt #: 234 total cpu time spent up to now is 148.6 secs Computing kpt #: 235 total cpu time spent up to now is 149.2 secs Computing kpt #: 236 total cpu time spent up to now is 149.8 secs Computing kpt #: 237 total cpu time spent up to now is 150.3 secs Computing kpt #: 238 total cpu time spent up to now is 150.9 secs Computing kpt #: 239 total cpu time spent up to now is 151.5 secs Computing kpt #: 240 total cpu time spent up to now is 152.0 secs Computing kpt #: 241 total cpu time spent up to now is 152.6 secs Computing kpt #: 242 total cpu time spent up to now is 153.2 secs Computing kpt #: 243 total cpu time spent up to now is 153.8 secs Computing kpt #: 244 total cpu time spent up to now is 154.3 secs Computing kpt #: 245 total cpu time spent up to now is 154.9 secs Computing kpt #: 246 total cpu time spent up to now is 155.5 secs Computing kpt #: 247 total cpu time spent up to now is 156.0 secs Computing kpt #: 248 total cpu time spent up to now is 156.6 secs Computing kpt #: 249 total cpu time spent up to now is 157.2 secs Computing kpt #: 250 total cpu time spent up to now is 157.9 secs Computing kpt #: 251 total cpu time spent up to now is 158.5 secs Computing kpt #: 252 total cpu time spent up to now is 159.1 secs Computing kpt #: 253 total cpu time spent up to now is 159.7 secs Computing kpt #: 254 total cpu time spent up to now is 160.3 secs Computing kpt #: 255 total cpu time spent up to now is 161.0 secs Computing kpt #: 256 total cpu time spent up to now is 161.7 secs Computing kpt #: 257 total cpu time spent up to now is 162.4 secs Computing kpt #: 258 total cpu time spent up to now is 163.0 secs Computing kpt #: 259 total cpu time spent up to now is 163.6 secs Computing kpt #: 260 total cpu time spent up to now is 164.2 secs Computing kpt #: 261 total cpu time spent up to now is 164.8 secs Computing kpt #: 262 total cpu time spent up to now is 165.4 secs Computing kpt #: 263 total cpu time spent up to now is 165.9 secs Computing kpt #: 264 total cpu time spent up to now is 166.5 secs Computing kpt #: 265 total cpu time spent up to now is 167.0 secs Computing kpt #: 266 total cpu time spent up to now is 167.6 secs Computing kpt #: 267 total cpu time spent up to now is 168.1 secs Computing kpt #: 268 total cpu time spent up to now is 168.7 secs Computing kpt #: 269 total cpu time spent up to now is 169.2 secs Computing kpt #: 270 total cpu time spent up to now is 169.7 secs Computing kpt #: 271 total cpu time spent up to now is 170.3 secs Computing kpt #: 272 total cpu time spent up to now is 170.8 secs Computing kpt #: 273 total cpu time spent up to now is 171.3 secs Computing kpt #: 274 total cpu time spent up to now is 171.9 secs Computing kpt #: 275 total cpu time spent up to now is 172.4 secs Computing kpt #: 276 total cpu time spent up to now is 172.9 secs Computing kpt #: 277 total cpu time spent up to now is 173.5 secs Computing kpt #: 278 total cpu time spent up to now is 174.0 secs Computing kpt #: 279 total cpu time spent up to now is 174.5 secs Computing kpt #: 280 total cpu time spent up to now is 175.1 secs Computing kpt #: 281 total cpu time spent up to now is 175.7 secs Computing kpt #: 282 total cpu time spent up to now is 176.2 secs Computing kpt #: 283 total cpu time spent up to now is 176.9 secs Computing kpt #: 284 total cpu time spent up to now is 177.6 secs Computing kpt #: 285 total cpu time spent up to now is 178.3 secs Computing kpt #: 286 total cpu time spent up to now is 178.9 secs Computing kpt #: 287 total cpu time spent up to now is 179.6 secs ethr = 2.27E-08, avg # of iterations = 19.5 total cpu time spent up to now is 179.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6829 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3391 -21.3391 -21.2627 -21.2627 -7.5954 -7.5954 -6.1573 -6.1573 -5.9100 -5.9100 -5.3511 -5.3511 -5.2639 -5.2639 -5.0308 -5.0308 -5.0170 -5.0170 0.5510 0.5510 0.8921 0.8921 3.1364 3.1364 3.1669 3.1669 3.5838 3.5838 3.7103 3.7103 4.1754 4.1754 4.2803 4.2803 4.5727 4.5727 9.2836 9.2836 9.3176 9.3176 10.5461 10.5461 10.5898 10.5898 k = 0.0147 0.0085-0.0000 ( 6841 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3391 -21.3391 -21.2627 -21.2627 -7.5956 -7.5956 -6.1573 -6.1573 -5.9100 -5.9100 -5.3511 -5.3511 -5.2639 -5.2639 -5.0309 -5.0309 -5.0169 -5.0169 0.5511 0.5511 0.8923 0.8923 3.1359 3.1359 3.1664 3.1664 3.5840 3.5840 3.7103 3.7103 4.1778 4.1778 4.2802 4.2802 4.5726 4.5726 9.2769 9.2769 9.3154 9.3154 10.5484 10.5484 10.5891 10.5891 k = 0.0294 0.0170-0.0000 ( 6843 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3389 -21.3389 -21.2628 -21.2628 -7.5963 -7.5963 -6.1572 -6.1572 -5.9101 -5.9101 -5.3510 -5.3510 -5.2640 -5.2640 -5.0310 -5.0310 -5.0166 -5.0166 0.5515 0.5515 0.8932 0.8932 3.1343 3.1343 3.1651 3.1651 3.5844 3.5844 3.7104 3.7104 4.1851 4.1851 4.2803 4.2803 4.5727 4.5727 9.2572 9.2572 9.3089 9.3089 10.5538 10.5538 10.5879 10.5879 k = 0.0441 0.0255-0.0000 ( 6839 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3387 -21.3387 -21.2630 -21.2630 -7.5973 -7.5973 -6.1571 -6.1571 -5.9103 -5.9103 -5.3509 -5.3509 -5.2640 -5.2640 -5.0311 -5.0311 -5.0162 -5.0162 0.5521 0.5521 0.8947 0.8947 3.1309 3.1309 3.1638 3.1638 3.5852 3.5852 3.7105 3.7105 4.1970 4.1970 4.2803 4.2803 4.5728 4.5728 9.2259 9.2259 9.2982 9.2982 10.5564 10.5564 10.5887 10.5887 k = 0.0588 0.0340-0.0000 ( 6843 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3385 -21.3385 -21.2632 -21.2632 -7.5987 -7.5987 -6.1570 -6.1570 -5.9106 -5.9106 -5.3508 -5.3508 -5.2641 -5.2641 -5.0314 -5.0314 -5.0157 -5.0157 0.5529 0.5529 0.8967 0.8967 3.1252 3.1252 3.1634 3.1634 3.5863 3.5863 3.7107 3.7107 4.2134 4.2134 4.2804 4.2804 4.5729 4.5729 9.1844 9.1844 9.2836 9.2836 10.5472 10.5472 10.5951 10.5951 k = 0.0735 0.0425-0.0000 ( 6847 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3381 -21.3381 -21.2635 -21.2635 -7.6005 -7.6005 -6.1568 -6.1568 -5.9109 -5.9109 -5.3506 -5.3506 -5.2643 -5.2643 -5.0317 -5.0317 -5.0150 -5.0150 0.5540 0.5540 0.8993 0.8993 3.1170 3.1170 3.1642 3.1642 3.5874 3.5874 3.7109 3.7109 4.2337 4.2337 4.2804 4.2804 4.5730 4.5730 9.1346 9.1346 9.2659 9.2659 10.5252 10.5252 10.6052 10.6052 k = 0.0882 0.0509-0.0000 ( 6835 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3377 -21.3377 -21.2639 -21.2639 -7.6027 -7.6027 -6.1566 -6.1566 -5.9114 -5.9114 -5.3504 -5.3504 -5.2643 -5.2643 -5.0321 -5.0321 -5.0142 -5.0142 0.5553 0.5553 0.9024 0.9024 3.1069 3.1069 3.1662 3.1662 3.5887 3.5887 3.7112 3.7112 4.2577 4.2577 4.2806 4.2806 4.5732 4.5732 9.0782 9.0782 9.2457 9.2457 10.4945 10.4945 10.6171 10.6171 k = 0.1029 0.0594-0.0000 ( 6835 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3372 -21.3372 -21.2643 -21.2643 -7.6052 -7.6052 -6.1563 -6.1563 -5.9119 -5.9119 -5.3501 -5.3501 -5.2644 -5.2644 -5.0327 -5.0327 -5.0134 -5.0134 0.5568 0.5568 0.9059 0.9059 3.0953 3.0953 3.1693 3.1693 3.5899 3.5899 3.7116 3.7116 4.2796 4.2796 4.2860 4.2860 4.5734 4.5734 9.0168 9.0168 9.2238 9.2238 10.4583 10.4583 10.6305 10.6305 k = 0.1176 0.0679-0.0000 ( 6835 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3366 -21.3366 -21.2648 -21.2648 -7.6081 -7.6081 -6.1559 -6.1559 -5.9126 -5.9126 -5.3497 -5.3497 -5.2643 -5.2643 -5.0333 -5.0333 -5.0125 -5.0125 0.5585 0.5585 0.9100 0.9100 3.0829 3.0829 3.1731 3.1731 3.5912 3.5912 3.7120 3.7120 4.2803 4.2803 4.3155 4.3155 4.5737 4.5737 8.9518 8.9518 9.2007 9.2007 10.4190 10.4190 10.6456 10.6456 k = 0.1324 0.0764-0.0000 ( 6837 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3359 -21.3359 -21.2654 -21.2654 -7.6113 -7.6113 -6.1554 -6.1554 -5.9133 -5.9133 -5.3493 -5.3493 -5.2641 -5.2641 -5.0341 -5.0341 -5.0117 -5.0117 0.5603 0.5603 0.9145 0.9145 3.0699 3.0699 3.1777 3.1777 3.5923 3.5923 3.7124 3.7124 4.2802 4.2802 4.3479 4.3479 4.5739 4.5739 8.8845 8.8845 9.1769 9.1769 10.3779 10.3779 10.6625 10.6625 k = 0.1471 0.0849-0.0000 ( 6837 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3352 -21.3352 -21.2660 -21.2660 -7.6148 -7.6148 -6.1547 -6.1547 -5.9141 -5.9141 -5.3487 -5.3487 -5.2638 -5.2638 -5.0351 -5.0351 -5.0109 -5.0109 0.5623 0.5623 0.9194 0.9194 3.0569 3.0569 3.1828 3.1828 3.5934 3.5934 3.7130 3.7130 4.2801 4.2801 4.3822 4.3822 4.5742 4.5742 8.8162 8.8162 9.1528 9.1528 10.3361 10.3361 10.6813 10.6813 k = 0.1618 0.0934-0.0000 ( 6823 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3344 -21.3344 -21.2666 -21.2666 -7.6186 -7.6186 -6.1540 -6.1540 -5.9151 -5.9151 -5.3481 -5.3481 -5.2633 -5.2633 -5.0362 -5.0362 -5.0102 -5.0102 0.5645 0.5645 0.9247 0.9247 3.0441 3.0441 3.1884 3.1884 3.5944 3.5944 3.7137 3.7137 4.2799 4.2799 4.4181 4.4181 4.5746 4.5746 8.7476 8.7476 9.1289 9.1289 10.2943 10.2943 10.7021 10.7021 k = 0.1765 0.1019-0.0000 ( 6807 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3335 -21.3335 -21.2673 -21.2673 -7.6225 -7.6225 -6.1531 -6.1531 -5.9162 -5.9162 -5.3474 -5.3474 -5.2626 -5.2626 -5.0375 -5.0375 -5.0096 -5.0096 0.5668 0.5668 0.9303 0.9303 3.0317 3.0317 3.1945 3.1945 3.5953 3.5953 3.7145 3.7145 4.2795 4.2795 4.4548 4.4548 4.5752 4.5752 8.6795 8.6795 9.1052 9.1052 10.2531 10.2531 10.7247 10.7247 k = 0.1912 0.1104-0.0000 ( 6803 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3326 -21.3326 -21.2681 -21.2681 -7.6267 -7.6267 -6.1520 -6.1520 -5.9174 -5.9174 -5.3467 -5.3467 -5.2617 -5.2617 -5.0391 -5.0391 -5.0092 -5.0092 0.5691 0.5691 0.9362 0.9362 3.0200 3.0200 3.2009 3.2009 3.5960 3.5960 3.7153 3.7153 4.2790 4.2790 4.4918 4.4918 4.5763 4.5763 8.6126 8.6126 9.0820 9.0820 10.2127 10.2127 10.7491 10.7491 k = 0.2059 0.1189-0.0000 ( 6811 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3316 -21.3316 -21.2690 -21.2690 -7.6311 -7.6311 -6.1508 -6.1508 -5.9187 -5.9187 -5.3459 -5.3459 -5.2604 -5.2604 -5.0408 -5.0408 -5.0090 -5.0090 0.5715 0.5715 0.9422 0.9422 3.0091 3.0091 3.2076 3.2076 3.5966 3.5966 3.7162 3.7162 4.2783 4.2783 4.5274 4.5274 4.5790 4.5790 8.5474 8.5474 9.0594 9.0594 10.1736 10.1736 10.7754 10.7754 k = 0.2206 0.1274-0.0000 ( 6807 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3306 -21.3306 -21.2698 -21.2698 -7.6356 -7.6356 -6.1494 -6.1494 -5.9201 -5.9201 -5.3451 -5.3451 -5.2588 -5.2588 -5.0428 -5.0428 -5.0088 -5.0088 0.5740 0.5740 0.9485 0.9485 2.9991 2.9991 3.2146 3.2146 3.5971 3.5971 3.7172 3.7172 4.2774 4.2774 4.5550 4.5550 4.5900 4.5900 8.4843 8.4843 9.0376 9.0376 10.1358 10.1358 10.8035 10.8035 k = 0.2353 0.1358-0.0000 ( 6811 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3295 -21.3295 -21.2708 -21.2708 -7.6401 -7.6401 -6.1479 -6.1479 -5.9216 -5.9216 -5.3442 -5.3442 -5.2568 -5.2568 -5.0451 -5.0451 -5.0089 -5.0089 0.5765 0.5765 0.9549 0.9549 2.9901 2.9901 3.2217 3.2217 3.5974 3.5974 3.7182 3.7182 4.2764 4.2764 4.5649 4.5649 4.6183 4.6183 8.4237 8.4237 9.0165 9.0165 10.0996 10.0996 10.8331 10.8331 k = 0.2500 0.1443-0.0000 ( 6801 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3284 -21.3284 -21.2717 -21.2717 -7.6448 -7.6448 -6.1463 -6.1463 -5.9232 -5.9232 -5.3434 -5.3434 -5.2544 -5.2544 -5.0477 -5.0477 -5.0091 -5.0091 0.5790 0.5790 0.9613 0.9613 2.9822 2.9822 3.2290 3.2290 3.5976 3.5976 3.7193 3.7193 4.2752 4.2752 4.5673 4.5673 4.6537 4.6537 8.3659 8.3659 8.9962 8.9962 10.0651 10.0651 10.8643 10.8643 k = 0.2647 0.1528-0.0000 ( 6797 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3272 -21.3272 -21.2727 -21.2727 -7.6494 -7.6494 -6.1445 -6.1445 -5.9250 -5.9250 -5.3426 -5.3426 -5.2515 -5.2515 -5.0506 -5.0506 -5.0095 -5.0095 0.5814 0.5814 0.9677 0.9677 2.9754 2.9754 3.2363 3.2363 3.5977 3.5977 3.7205 3.7205 4.2738 4.2738 4.5679 4.5679 4.6900 4.6900 8.3110 8.3110 8.9767 8.9767 10.0324 10.0324 10.8965 10.8965 k = 0.2794 0.1613-0.0000 ( 6785 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3261 -21.3261 -21.2738 -21.2738 -7.6540 -7.6540 -6.1425 -6.1425 -5.9268 -5.9268 -5.3418 -5.3418 -5.2482 -5.2482 -5.0539 -5.0539 -5.0099 -5.0099 0.5839 0.5839 0.9741 0.9741 2.9696 2.9696 3.2436 3.2436 3.5978 3.5978 3.7217 3.7217 4.2722 4.2722 4.5679 4.5679 4.7259 4.7259 8.2594 8.2594 8.9580 8.9580 10.0015 10.0015 10.9288 10.9288 k = 0.2941 0.1698-0.0000 ( 6786 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3248 -21.3248 -21.2749 -21.2749 -7.6585 -7.6585 -6.1405 -6.1405 -5.9286 -5.9286 -5.3411 -5.3411 -5.2444 -5.2444 -5.0576 -5.0576 -5.0104 -5.0104 0.5862 0.5862 0.9804 0.9804 2.9648 2.9648 3.2508 3.2508 3.5976 3.5976 3.7229 3.7229 4.2705 4.2705 4.5676 4.5676 4.7608 4.7608 8.2111 8.2111 8.9401 8.9401 9.9726 9.9726 10.9563 10.9563 k = 0.3088 0.1783-0.0000 ( 6784 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3236 -21.3236 -21.2760 -21.2760 -7.6630 -7.6630 -6.1384 -6.1384 -5.9305 -5.9305 -5.3405 -5.3405 -5.2401 -5.2401 -5.0618 -5.0618 -5.0110 -5.0110 0.5885 0.5885 0.9865 0.9865 2.9610 2.9610 3.2580 3.2580 3.5974 3.5974 3.7241 3.7241 4.2686 4.2686 4.5671 4.5671 4.7944 4.7944 8.1662 8.1662 8.9229 8.9229 9.9457 9.9457 10.9615 10.9615 k = 0.3235 0.1868-0.0000 ( 6776 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3223 -21.3223 -21.2771 -21.2771 -7.6673 -7.6673 -6.1362 -6.1362 -5.9324 -5.9324 -5.3399 -5.3399 -5.2354 -5.2354 -5.0663 -5.0663 -5.0116 -5.0116 0.5908 0.5908 0.9924 0.9924 2.9582 2.9582 3.2649 3.2649 3.5972 3.5972 3.7252 3.7252 4.2665 4.2665 4.5665 4.5665 4.8263 4.8263 8.1248 8.1248 8.9066 8.9066 9.9207 9.9207 10.9467 10.9467 k = 0.3382 0.1953-0.0000 ( 6764 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3211 -21.3211 -21.2782 -21.2782 -7.6714 -7.6714 -6.1340 -6.1340 -5.9344 -5.9344 -5.3394 -5.3394 -5.2301 -5.2301 -5.0713 -5.0713 -5.0123 -5.0123 0.5928 0.5928 0.9980 0.9980 2.9562 2.9562 3.2715 3.2715 3.5969 3.5969 3.7264 3.7264 4.2644 4.2644 4.5659 4.5659 4.8565 4.8565 8.0869 8.0869 8.8911 8.8911 9.8977 9.8977 10.9261 10.9261 k = 0.3529 0.2038-0.0000 ( 6770 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3198 -21.3198 -21.2793 -21.2793 -7.6753 -7.6753 -6.1318 -6.1318 -5.9363 -5.9363 -5.3391 -5.3391 -5.2244 -5.2244 -5.0768 -5.0768 -5.0129 -5.0129 0.5948 0.5948 1.0033 1.0033 2.9549 2.9549 3.2778 3.2778 3.5966 3.5966 3.7275 3.7275 4.2622 4.2622 4.5651 4.5651 4.8846 4.8846 8.0526 8.0526 8.8765 8.8765 9.8768 9.8768 10.9031 10.9031 k = 0.3676 0.2123-0.0000 ( 6774 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3186 -21.3186 -21.2804 -21.2804 -7.6789 -7.6789 -6.1297 -6.1297 -5.9381 -5.9381 -5.3387 -5.3387 -5.2183 -5.2183 -5.0827 -5.0827 -5.0135 -5.0135 0.5965 0.5965 1.0083 1.0083 2.9542 2.9542 3.2837 3.2837 3.5962 3.5962 3.7285 3.7285 4.2600 4.2600 4.5643 4.5643 4.9105 4.9105 8.0218 8.0218 8.8628 8.8628 9.8579 9.8579 10.8790 10.8790 k = 0.3824 0.2208-0.0000 ( 6766 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3174 -21.3174 -21.2815 -21.2815 -7.6822 -7.6822 -6.1276 -6.1276 -5.9399 -5.9399 -5.3385 -5.3385 -5.2118 -5.2118 -5.0889 -5.0889 -5.0140 -5.0140 0.5982 0.5982 1.0128 1.0128 2.9540 2.9540 3.2892 3.2892 3.5959 3.5959 3.7294 3.7294 4.2579 4.2579 4.5636 4.5636 4.9341 4.9341 7.9945 7.9945 8.8502 8.8502 9.8410 9.8410 10.8543 10.8543 k = 0.3971 0.2292-0.0000 ( 6768 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3163 -21.3163 -21.2826 -21.2826 -7.6852 -7.6852 -6.1256 -6.1256 -5.9416 -5.9416 -5.3383 -5.3383 -5.2049 -5.2049 -5.0956 -5.0956 -5.0145 -5.0145 0.5996 0.5996 1.0169 1.0169 2.9542 2.9542 3.2941 3.2941 3.5955 3.5955 3.7303 3.7303 4.2558 4.2558 4.5630 4.5630 4.9552 4.9552 7.9706 7.9706 8.8387 8.8387 9.8262 9.8262 10.8297 10.8297 k = 0.4118 0.2377-0.0000 ( 6776 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3152 -21.3152 -21.2836 -21.2836 -7.6879 -7.6879 -6.1238 -6.1238 -5.9431 -5.9431 -5.3382 -5.3382 -5.1977 -5.1977 -5.1026 -5.1026 -5.0150 -5.0150 0.6009 0.6009 1.0205 1.0205 2.9546 2.9546 3.2985 3.2985 3.5951 3.5951 3.7310 3.7310 4.2539 4.2539 4.5623 4.5623 4.9737 4.9737 7.9501 7.9501 8.8283 8.8283 9.8133 9.8133 10.8062 10.8062 k = 0.4265 0.2462-0.0000 ( 6778 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3142 -21.3142 -21.2845 -21.2845 -7.6902 -7.6902 -6.1222 -6.1222 -5.9445 -5.9445 -5.3381 -5.3381 -5.1902 -5.1902 -5.1099 -5.1099 -5.0153 -5.0153 0.6020 0.6020 1.0236 1.0236 2.9552 2.9552 3.3024 3.3024 3.5948 3.5948 3.7317 3.7317 4.2522 4.2522 4.5617 4.5617 4.9895 4.9895 7.9329 7.9329 8.8194 8.8194 9.8025 9.8025 10.7847 10.7847 k = 0.4412 0.2547-0.0000 ( 6778 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3134 -21.3134 -21.2853 -21.2853 -7.6921 -7.6921 -6.1209 -6.1209 -5.9456 -5.9456 -5.3380 -5.3380 -5.1826 -5.1826 -5.1174 -5.1174 -5.0156 -5.0156 0.6029 0.6029 1.0262 1.0262 2.9559 2.9559 3.3055 3.3055 3.5945 3.5945 3.7322 3.7322 4.2507 4.2507 4.5613 4.5613 5.0026 5.0026 7.9189 7.9189 8.8118 8.8118 9.7936 9.7936 10.7660 10.7660 k = 0.4559 0.2632-0.0000 ( 6790 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3126 -21.3126 -21.2859 -21.2859 -7.6936 -7.6936 -6.1198 -6.1198 -5.9466 -5.9466 -5.3380 -5.3380 -5.1748 -5.1748 -5.1250 -5.1250 -5.0159 -5.0159 0.6036 0.6036 1.0283 1.0283 2.9565 2.9565 3.3080 3.3080 3.5942 3.5942 3.7326 3.7326 4.2494 4.2494 4.5608 4.5608 5.0128 5.0128 7.9081 7.9081 8.8059 8.8059 9.7868 9.7868 10.7507 10.7507 k = 0.4706 0.2717-0.0000 ( 6790 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3121 -21.3121 -21.2864 -21.2864 -7.6947 -7.6947 -6.1190 -6.1190 -5.9473 -5.9473 -5.3379 -5.3379 -5.1670 -5.1670 -5.1328 -5.1328 -5.0161 -5.0161 0.6041 0.6041 1.0297 1.0297 2.9570 2.9570 3.3098 3.3098 3.5941 3.5941 3.7329 3.7329 4.2485 4.2485 4.5605 4.5605 5.0201 5.0201 7.9005 7.9005 8.8015 8.8015 9.7818 9.7818 10.7394 10.7394 k = 0.4853 0.2802-0.0000 ( 6782 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3118 -21.3118 -21.2868 -21.2868 -7.6954 -7.6954 -6.1185 -6.1185 -5.9477 -5.9477 -5.3379 -5.3379 -5.1595 -5.1595 -5.1402 -5.1402 -5.0162 -5.0162 0.6044 0.6044 1.0306 1.0306 2.9573 2.9573 3.3109 3.3109 3.5940 3.5940 3.7331 3.7331 4.2480 4.2480 4.5604 4.5604 5.0245 5.0245 7.8959 7.8959 8.7989 8.7989 9.7789 9.7789 10.7325 10.7325 k = 0.5000 0.2887-0.0000 ( 6778 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3117 -21.3117 -21.2869 -21.2869 -7.6956 -7.6956 -6.1183 -6.1183 -5.9478 -5.9478 -5.3379 -5.3379 -5.1550 -5.1550 -5.1447 -5.1447 -5.0162 -5.0162 0.6045 0.6045 1.0309 1.0309 2.9574 2.9574 3.3113 3.3113 3.5940 3.5940 3.7332 3.7332 4.2479 4.2479 4.5603 4.5603 5.0260 5.0260 7.8944 7.8944 8.7980 8.7980 9.7779 9.7779 10.7302 10.7302 k = 0.5000 0.2887-0.0000 ( 6778 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3117 -21.3117 -21.2869 -21.2869 -7.6956 -7.6956 -6.1183 -6.1183 -5.9478 -5.9478 -5.3379 -5.3379 -5.1550 -5.1550 -5.1447 -5.1447 -5.0162 -5.0162 0.6045 0.6045 1.0309 1.0309 2.9574 2.9574 3.3113 3.3113 3.5940 3.5940 3.7332 3.7332 4.2479 4.2479 4.5603 4.5603 5.0260 5.0260 7.8944 7.8944 8.7980 8.7980 9.7779 9.7779 10.7302 10.7302 k = 0.4917 0.3031-0.0000 ( 6794 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3116 -21.3116 -21.2869 -21.2869 -7.6957 -7.6957 -6.1181 -6.1181 -5.9480 -5.9480 -5.3376 -5.3376 -5.1555 -5.1555 -5.1444 -5.1444 -5.0163 -5.0163 0.6045 0.6045 1.0311 1.0311 2.9579 2.9579 3.3106 3.3106 3.5943 3.5943 3.7331 3.7331 4.2478 4.2478 4.5602 4.5602 5.0262 5.0262 7.8950 7.8950 8.7955 8.7955 9.7798 9.7798 10.7319 10.7319 k = 0.4833 0.3175-0.0000 ( 6786 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3115 -21.3115 -21.2870 -21.2870 -7.6959 -7.6959 -6.1175 -6.1175 -5.9487 -5.9487 -5.3366 -5.3366 -5.1567 -5.1567 -5.1436 -5.1436 -5.0168 -5.0168 0.6046 0.6046 1.0316 1.0316 2.9594 2.9594 3.3085 3.3085 3.5951 3.5951 3.7331 3.7331 4.2481 4.2481 4.5601 4.5601 5.0270 5.0270 7.8970 7.8970 8.7880 8.7880 9.7855 9.7855 10.7366 10.7366 k = 0.4750 0.3320-0.0000 ( 6784 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3113 -21.3113 -21.2872 -21.2872 -7.6964 -7.6964 -6.1164 -6.1164 -5.9497 -5.9497 -5.3350 -5.3350 -5.1586 -5.1586 -5.1427 -5.1427 -5.0174 -5.0174 0.6047 0.6047 1.0324 1.0324 2.9620 2.9620 3.3051 3.3051 3.5965 3.5965 3.7331 3.7331 4.2484 4.2484 4.5598 4.5598 5.0281 5.0281 7.9002 7.9002 8.7756 8.7756 9.7949 9.7949 10.7442 10.7442 k = 0.4667 0.3464-0.0000 ( 6774 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3111 -21.3111 -21.2874 -21.2874 -7.6969 -7.6969 -6.1149 -6.1149 -5.9511 -5.9511 -5.3327 -5.3327 -5.1609 -5.1609 -5.1417 -5.1417 -5.0184 -5.0184 0.6049 0.6049 1.0335 1.0335 2.9656 2.9656 3.3005 3.3005 3.5984 3.5984 3.7330 3.7330 4.2488 4.2488 4.5594 4.5594 5.0298 5.0298 7.9049 7.9049 8.7587 8.7587 9.8081 9.8081 10.7541 10.7541 k = 0.4583 0.3608-0.0000 ( 6774 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3108 -21.3108 -21.2877 -21.2877 -7.6977 -7.6977 -6.1131 -6.1131 -5.9530 -5.9530 -5.3299 -5.3299 -5.1635 -5.1635 -5.1407 -5.1407 -5.0195 -5.0195 0.6050 0.6050 1.0348 1.0348 2.9702 2.9702 3.2946 3.2946 3.6007 3.6007 3.7329 3.7329 4.2494 4.2494 4.5589 4.5589 5.0318 5.0318 7.9109 7.9109 8.7376 8.7376 9.8251 9.8251 10.7653 10.7653 k = 0.4500 0.3753-0.0000 ( 6778 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3104 -21.3104 -21.2880 -21.2880 -7.6985 -7.6985 -6.1108 -6.1108 -5.9552 -5.9552 -5.3265 -5.3265 -5.1665 -5.1665 -5.1398 -5.1398 -5.0209 -5.0209 0.6053 0.6053 1.0364 1.0364 2.9757 2.9757 3.2876 3.2876 3.6032 3.6032 3.7328 3.7328 4.2500 4.2500 4.5582 4.5582 5.0342 5.0342 7.9183 7.9183 8.7126 8.7126 9.8458 9.8458 10.7765 10.7765 k = 0.4417 0.3897-0.0000 ( 6772 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3100 -21.3100 -21.2884 -21.2884 -7.6995 -7.6995 -6.1083 -6.1083 -5.9577 -5.9577 -5.3225 -5.3225 -5.1696 -5.1696 -5.1390 -5.1390 -5.0225 -5.0225 0.6055 0.6055 1.0382 1.0382 2.9822 2.9822 3.2797 3.2797 3.6061 3.6061 3.7327 3.7327 4.2507 4.2507 4.5576 4.5576 5.0370 5.0370 7.9273 7.9273 8.6842 8.6842 9.8701 9.8701 10.7858 10.7858 k = 0.4333 0.4041-0.0000 ( 6784 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3095 -21.3095 -21.2889 -21.2889 -7.7005 -7.7005 -6.1054 -6.1054 -5.9605 -5.9605 -5.3180 -5.3180 -5.1731 -5.1731 -5.1384 -5.1384 -5.0241 -5.0241 0.6058 0.6058 1.0402 1.0402 2.9896 2.9896 3.2709 3.2709 3.6090 3.6090 3.7325 3.7325 4.2513 4.2513 4.5568 4.5568 5.0400 5.0400 7.9378 7.9378 8.6529 8.6529 9.8982 9.8982 10.7905 10.7905 k = 0.4250 0.4186-0.0000 ( 6796 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3089 -21.3089 -21.2895 -21.2895 -7.7016 -7.7016 -6.1022 -6.1022 -5.9636 -5.9636 -5.3131 -5.3131 -5.1767 -5.1767 -5.1379 -5.1379 -5.0259 -5.0259 0.6060 0.6060 1.0423 1.0423 2.9979 2.9979 3.2613 3.2613 3.6119 3.6119 3.7323 3.7323 4.2521 4.2521 4.5559 4.5559 5.0433 5.0433 7.9500 7.9500 8.6190 8.6190 9.9298 9.9298 10.7883 10.7883 k = 0.4167 0.4330-0.0000 ( 6794 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3083 -21.3083 -21.2901 -21.2901 -7.7028 -7.7028 -6.0989 -6.0989 -5.9669 -5.9669 -5.3078 -5.3078 -5.1805 -5.1805 -5.1376 -5.1376 -5.0278 -5.0278 0.6063 0.6063 1.0444 1.0444 3.0070 3.0070 3.2510 3.2510 3.6149 3.6149 3.7321 3.7321 4.2528 4.2528 4.5550 4.5550 5.0467 5.0467 7.9638 7.9638 8.5832 8.5832 9.9651 9.9651 10.7781 10.7781 k = 0.4083 0.4474-0.0000 ( 6786 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3076 -21.3076 -21.2907 -21.2907 -7.7040 -7.7040 -6.0953 -6.0953 -5.9703 -5.9703 -5.3021 -5.3021 -5.1845 -5.1845 -5.1375 -5.1375 -5.0296 -5.0296 0.6066 0.6066 1.0466 1.0466 3.0169 3.0169 3.2401 3.2401 3.6178 3.6178 3.7320 3.7320 4.2536 4.2536 4.5542 4.5542 5.0503 5.0503 7.9794 7.9794 8.5458 8.5458 10.0038 10.0038 10.7610 10.7610 k = 0.4000 0.4619-0.0000 ( 6778 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3068 -21.3068 -21.2914 -21.2914 -7.7052 -7.7052 -6.0917 -6.0917 -5.9739 -5.9739 -5.2962 -5.2962 -5.1886 -5.1886 -5.1375 -5.1375 -5.0314 -5.0314 0.6069 0.6069 1.0487 1.0487 3.0274 3.0274 3.2287 3.2287 3.6205 3.6205 3.7319 3.7319 4.2543 4.2543 4.5533 4.5533 5.0539 5.0539 7.9968 7.9968 8.5073 8.5073 10.0460 10.0460 10.7388 10.7388 k = 0.3917 0.4763-0.0000 ( 6778 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3060 -21.3060 -21.2922 -21.2922 -7.7063 -7.7063 -6.0880 -6.0880 -5.9774 -5.9774 -5.2901 -5.2901 -5.1927 -5.1927 -5.1377 -5.1377 -5.0331 -5.0331 0.6073 0.6073 1.0508 1.0508 3.0387 3.0387 3.2169 3.2169 3.6230 3.6230 3.7317 3.7317 4.2550 4.2550 4.5524 4.5524 5.0575 5.0575 8.0161 8.0161 8.4681 8.4681 10.0915 10.0915 10.7137 10.7137 k = 0.3833 0.4907-0.0000 ( 6788 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3052 -21.3052 -21.2931 -21.2931 -7.7074 -7.7074 -6.0844 -6.0844 -5.9810 -5.9810 -5.2840 -5.2840 -5.1969 -5.1969 -5.1381 -5.1381 -5.0346 -5.0346 0.6075 0.6075 1.0527 1.0527 3.0504 3.0504 3.2047 3.2047 3.6252 3.6252 3.7315 3.7315 4.2555 4.2555 4.5516 4.5516 5.0609 5.0609 8.0373 8.0373 8.4285 8.4285 10.1401 10.1401 10.6871 10.6871 k = 0.3750 0.5052-0.0000 ( 6788 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3043 -21.3043 -21.2939 -21.2939 -7.7083 -7.7083 -6.0810 -6.0810 -5.9843 -5.9843 -5.2780 -5.2780 -5.2010 -5.2010 -5.1387 -5.1387 -5.0360 -5.0360 0.6078 0.6078 1.0544 1.0544 3.0627 3.0627 3.1922 3.1922 3.6271 3.6271 3.7314 3.7314 4.2560 4.2560 4.5508 4.5508 5.0640 5.0640 8.0604 8.0604 8.3890 8.3890 10.1917 10.1917 10.6601 10.6601 k = 0.3667 0.5196-0.0000 ( 6788 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3033 -21.3033 -21.2949 -21.2949 -7.7092 -7.7092 -6.0778 -6.0778 -5.9874 -5.9874 -5.2724 -5.2724 -5.2048 -5.2048 -5.1393 -5.1393 -5.0372 -5.0372 0.6081 0.6081 1.0559 1.0559 3.0753 3.0753 3.1795 3.1795 3.6287 3.6287 3.7313 3.7313 4.2563 4.2563 4.5502 4.5502 5.0670 5.0670 8.0854 8.0854 8.3500 8.3500 10.2459 10.2459 10.6333 10.6333 k = 0.3583 0.5340-0.0000 ( 6798 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3023 -21.3023 -21.2959 -21.2959 -7.7099 -7.7099 -6.0752 -6.0752 -5.9900 -5.9900 -5.2674 -5.2674 -5.2082 -5.2082 -5.1401 -5.1401 -5.0381 -5.0381 0.6083 0.6083 1.0571 1.0571 3.0882 3.0882 3.1666 3.1666 3.6299 3.6299 3.7312 3.7312 4.2566 4.2566 4.5496 4.5496 5.0694 5.0694 8.1123 8.1123 8.3117 8.3117 10.3022 10.3022 10.6063 10.6063 k = 0.3500 0.5485-0.0000 ( 6800 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3013 -21.3013 -21.2969 -21.2969 -7.7104 -7.7104 -6.0731 -6.0731 -5.9920 -5.9920 -5.2634 -5.2634 -5.2108 -5.2108 -5.1407 -5.1407 -5.0388 -5.0388 0.6084 0.6084 1.0580 1.0580 3.1013 3.1013 3.1536 3.1536 3.6308 3.6308 3.7312 3.7312 4.2568 4.2568 4.5492 4.5492 5.0713 5.0713 8.1409 8.1409 8.2746 8.2746 10.3596 10.3596 10.5748 10.5748 k = 0.3417 0.5629-0.0000 ( 6802 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3002 -21.3002 -21.2980 -21.2980 -7.7107 -7.7107 -6.0717 -6.0717 -5.9933 -5.9933 -5.2608 -5.2608 -5.2125 -5.2125 -5.1413 -5.1413 -5.0392 -5.0392 0.6085 0.6085 1.0586 1.0586 3.1144 3.1144 3.1406 3.1406 3.6313 3.6313 3.7312 3.7312 4.2569 4.2569 4.5490 4.5490 5.0725 5.0725 8.1712 8.1712 8.2392 8.2392 10.4142 10.4142 10.5364 10.5364 k = 0.3333 0.5774-0.0000 ( 6798 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2991 -21.2991 -21.2990 -21.2990 -7.7109 -7.7109 -6.0713 -6.0713 -5.9938 -5.9938 -5.2599 -5.2599 -5.2130 -5.2130 -5.1415 -5.1415 -5.0393 -5.0393 0.6086 0.6086 1.0588 1.0588 3.1265 3.1265 3.1285 3.1285 3.6315 3.6315 3.7311 3.7311 4.2569 4.2569 4.5489 4.5489 5.0729 5.0729 8.1971 8.1971 8.2115 8.2115 10.4447 10.4447 10.5137 10.5137 k = 0.3333 0.5774-0.0000 ( 6798 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2991 -21.2991 -21.2990 -21.2990 -7.7109 -7.7109 -6.0713 -6.0713 -5.9938 -5.9938 -5.2599 -5.2599 -5.2130 -5.2130 -5.1415 -5.1415 -5.0393 -5.0393 0.6086 0.6086 1.0588 1.0588 3.1265 3.1265 3.1285 3.1285 3.6315 3.6315 3.7311 3.7311 4.2569 4.2569 4.5489 4.5489 5.0729 5.0729 8.1971 8.1971 8.2115 8.2115 10.4447 10.4447 10.5137 10.5137 k = 0.3250 0.5629-0.0000 ( 6802 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3002 -21.3002 -21.2979 -21.2979 -7.7107 -7.7107 -6.0717 -6.0717 -5.9933 -5.9933 -5.2608 -5.2608 -5.2126 -5.2126 -5.1412 -5.1412 -5.0392 -5.0392 0.6085 0.6085 1.0586 1.0586 3.1145 3.1145 3.1404 3.1404 3.6313 3.6313 3.7311 3.7311 4.2569 4.2569 4.5490 4.5490 5.0724 5.0724 8.1714 8.1714 8.2390 8.2390 10.4203 10.4203 10.5195 10.5195 k = 0.3167 0.5485-0.0000 ( 6794 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3014 -21.3014 -21.2967 -21.2967 -7.7104 -7.7104 -6.0731 -6.0731 -5.9920 -5.9920 -5.2630 -5.2630 -5.2117 -5.2117 -5.1402 -5.1402 -5.0388 -5.0388 0.6084 0.6084 1.0580 1.0580 3.1017 3.1017 3.1530 3.1530 3.6308 3.6308 3.7312 3.7312 4.2569 4.2569 4.5493 4.5493 5.0709 5.0709 8.1420 8.1420 8.2740 8.2740 10.3805 10.3805 10.5146 10.5146 k = 0.3083 0.5340-0.0000 ( 6796 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3026 -21.3026 -21.2955 -21.2955 -7.7097 -7.7097 -6.0753 -6.0753 -5.9899 -5.9899 -5.2663 -5.2663 -5.2108 -5.2108 -5.1384 -5.1384 -5.0382 -5.0382 0.6082 0.6082 1.0569 1.0569 3.0891 3.0891 3.1652 3.1652 3.6300 3.6300 3.7312 3.7312 4.2568 4.2568 4.5497 4.5497 5.0682 5.0682 8.1149 8.1149 8.3105 8.3105 10.3401 10.3401 10.5077 10.5077 k = 0.3000 0.5196-0.0000 ( 6790 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3039 -21.3039 -21.2943 -21.2943 -7.7088 -7.7088 -6.0781 -6.0781 -5.9872 -5.9872 -5.2703 -5.2703 -5.2105 -5.2105 -5.1356 -5.1356 -5.0374 -5.0374 0.6079 0.6079 1.0554 1.0554 3.0768 3.0768 3.1768 3.1768 3.6290 3.6290 3.7311 3.7311 4.2568 4.2568 4.5503 4.5503 5.0642 5.0642 8.0905 8.0905 8.3482 8.3482 10.3016 10.3016 10.5029 10.5029 k = 0.2917 0.5052-0.0000 ( 6790 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3052 -21.3052 -21.2931 -21.2931 -7.7076 -7.7076 -6.0815 -6.0815 -5.9839 -5.9839 -5.2746 -5.2746 -5.2108 -5.2108 -5.1319 -5.1319 -5.0364 -5.0364 0.6075 0.6075 1.0535 1.0535 3.0648 3.0648 3.1878 3.1878 3.6277 3.6277 3.7310 3.7310 4.2569 4.2569 4.5510 4.5510 5.0587 5.0587 8.0693 8.0693 8.3868 8.3868 10.2656 10.2656 10.5011 10.5011 k = 0.2833 0.4907-0.0000 ( 6782 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3065 -21.3065 -21.2918 -21.2918 -7.7061 -7.7061 -6.0853 -6.0853 -5.9803 -5.9803 -5.2792 -5.2792 -5.2118 -5.2118 -5.1273 -5.1273 -5.0352 -5.0352 0.6069 0.6069 1.0511 1.0511 3.0532 3.0532 3.1980 3.1980 3.6262 3.6262 3.7309 3.7309 4.2571 4.2571 4.5519 4.5519 5.0516 5.0516 8.0514 8.0514 8.4259 8.4259 10.2324 10.2324 10.5026 10.5026 k = 0.2750 0.4763-0.0000 ( 6778 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3078 -21.3078 -21.2905 -21.2905 -7.7042 -7.7042 -6.0893 -6.0893 -5.9765 -5.9765 -5.2840 -5.2840 -5.2135 -5.2135 -5.1221 -5.1221 -5.0338 -5.0338 0.6062 0.6062 1.0483 1.0483 3.0421 3.0421 3.2073 3.2073 3.6245 3.6245 3.7307 3.7307 4.2574 4.2574 4.5529 4.5529 5.0427 5.0427 8.0370 8.0370 8.4654 8.4654 10.2023 10.2023 10.5076 10.5076 k = 0.2667 0.4619-0.0000 ( 6776 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3091 -21.3091 -21.2893 -21.2893 -7.7021 -7.7021 -6.0935 -6.0935 -5.9725 -5.9725 -5.2887 -5.2887 -5.2158 -5.2158 -5.1165 -5.1165 -5.0323 -5.0323 0.6054 0.6054 1.0450 1.0450 3.0315 3.0315 3.2157 3.2157 3.6227 3.6227 3.7304 3.7304 4.2578 4.2578 4.5540 4.5540 5.0321 5.0321 8.0265 8.0265 8.5049 8.5049 10.1754 10.1754 10.5162 10.5162 k = 0.2583 0.4474-0.0000 ( 6780 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3105 -21.3105 -21.2880 -21.2880 -7.6997 -7.6997 -6.0978 -6.0978 -5.9684 -5.9684 -5.2934 -5.2934 -5.2185 -5.2185 -5.1106 -5.1106 -5.0308 -5.0308 0.6045 0.6045 1.0413 1.0413 3.0216 3.0216 3.2231 3.2231 3.6207 3.6207 3.7301 3.7301 4.2584 4.2584 4.5552 4.5552 5.0195 5.0195 8.0199 8.0199 8.5442 8.5442 10.1518 10.1518 10.5282 10.5282 k = 0.2500 0.4330-0.0000 ( 6768 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3118 -21.3118 -21.2867 -21.2867 -7.6970 -7.6970 -6.1021 -6.1021 -5.9644 -5.9644 -5.2980 -5.2980 -5.2215 -5.2215 -5.1046 -5.1046 -5.0291 -5.0291 0.6035 0.6035 1.0373 1.0373 3.0125 3.0125 3.2295 3.2295 3.6188 3.6188 3.7297 3.7297 4.2592 4.2592 4.5565 4.5565 5.0049 5.0049 8.0176 8.0176 8.5829 8.5829 10.1316 10.1316 10.5436 10.5436 k = 0.2417 0.4186-0.0000 ( 6772 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3132 -21.3132 -21.2854 -21.2854 -7.6941 -7.6941 -6.1064 -6.1064 -5.9604 -5.9604 -5.3025 -5.3025 -5.2247 -5.2247 -5.0985 -5.0985 -5.0274 -5.0274 0.6022 0.6022 1.0328 1.0328 3.0041 3.0041 3.2347 3.2347 3.6168 3.6168 3.7292 3.7292 4.2601 4.2601 4.5577 4.5577 4.9883 4.9883 8.0195 8.0195 8.6208 8.6208 10.1148 10.1148 10.5624 10.5624 k = 0.2333 0.4041-0.0000 ( 6776 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3146 -21.3146 -21.2841 -21.2841 -7.6908 -7.6908 -6.1107 -6.1107 -5.9564 -5.9564 -5.3068 -5.3068 -5.2280 -5.2280 -5.0926 -5.0926 -5.0256 -5.0256 0.6009 0.6009 1.0280 1.0280 2.9966 2.9966 3.2387 3.2387 3.6149 3.6149 3.7286 3.7286 4.2612 4.2612 4.5590 4.5590 4.9695 4.9695 8.0258 8.0258 8.6577 8.6577 10.1015 10.1015 10.5843 10.5843 k = 0.2250 0.3897-0.0000 ( 6778 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3159 -21.3159 -21.2829 -21.2829 -7.6873 -7.6873 -6.1148 -6.1148 -5.9526 -5.9526 -5.3109 -5.3109 -5.2313 -5.2313 -5.0869 -5.0869 -5.0238 -5.0238 0.5994 0.5994 1.0228 1.0228 2.9900 2.9900 3.2417 3.2417 3.6130 3.6130 3.7279 3.7279 4.2624 4.2624 4.5603 4.5603 4.9487 4.9487 8.0367 8.0367 8.6934 8.6934 10.0915 10.0915 10.6091 10.6091 k = 0.2167 0.3753-0.0000 ( 6774 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3173 -21.3173 -21.2816 -21.2816 -7.6836 -7.6836 -6.1188 -6.1188 -5.9489 -5.9489 -5.3149 -5.3149 -5.2346 -5.2346 -5.0814 -5.0814 -5.0220 -5.0220 0.5978 0.5978 1.0173 1.0173 2.9845 2.9845 3.2435 3.2435 3.6113 3.6113 3.7272 3.7272 4.2637 4.2637 4.5615 4.5615 4.9257 4.9257 8.0521 8.0521 8.7277 8.7277 10.0849 10.0849 10.6366 10.6366 k = 0.2083 0.3608-0.0000 ( 6774 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3187 -21.3187 -21.2804 -21.2804 -7.6797 -7.6797 -6.1226 -6.1226 -5.9454 -5.9454 -5.3186 -5.3186 -5.2379 -5.2379 -5.0762 -5.0762 -5.0202 -5.0202 0.5960 0.5960 1.0116 1.0116 2.9801 2.9801 3.2442 3.2442 3.6096 3.6096 3.7264 3.7264 4.2652 4.2652 4.5627 4.5627 4.9006 4.9006 8.0721 8.0721 8.7606 8.7606 10.0815 10.0815 10.6664 10.6664 k = 0.2000 0.3464-0.0000 ( 6778 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3200 -21.3200 -21.2792 -21.2792 -7.6755 -7.6755 -6.1263 -6.1263 -5.9421 -5.9421 -5.3221 -5.3221 -5.2410 -5.2410 -5.0713 -5.0713 -5.0185 -5.0185 0.5941 0.5941 1.0056 1.0056 2.9768 2.9768 3.2439 3.2439 3.6080 3.6080 3.7256 3.7256 4.2667 4.2667 4.5639 4.5639 4.8736 4.8736 8.0967 8.0967 8.7921 8.7921 10.0812 10.0812 10.6979 10.6979 k = 0.1917 0.3320-0.0000 ( 6770 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3213 -21.3213 -21.2780 -21.2780 -7.6712 -7.6712 -6.1297 -6.1297 -5.9389 -5.9389 -5.3254 -5.3254 -5.2440 -5.2440 -5.0668 -5.0668 -5.0168 -5.0168 0.5921 0.5921 0.9994 0.9994 2.9747 2.9747 3.2426 3.2426 3.6066 3.6066 3.7247 3.7247 4.2682 4.2682 4.5649 4.5649 4.8447 4.8447 8.1257 8.1257 8.8221 8.8221 10.0840 10.0840 10.7305 10.7305 k = 0.1833 0.3175-0.0000 ( 6767 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3226 -21.3226 -21.2768 -21.2768 -7.6668 -7.6668 -6.1330 -6.1330 -5.9359 -5.9359 -5.3285 -5.3285 -5.2468 -5.2468 -5.0626 -5.0626 -5.0152 -5.0152 0.5900 0.5900 0.9930 0.9930 2.9739 2.9739 3.2404 3.2404 3.6053 3.6053 3.7237 3.7237 4.2698 4.2698 4.5659 4.5659 4.8140 4.8140 8.1592 8.1592 8.8509 8.8509 10.0897 10.0897 10.7634 10.7634 k = 0.1750 0.3031-0.0000 ( 6771 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3239 -21.3239 -21.2757 -21.2757 -7.6623 -7.6623 -6.1360 -6.1360 -5.9331 -5.9331 -5.3313 -5.3313 -5.2494 -5.2494 -5.0587 -5.0587 -5.0138 -5.0138 0.5878 0.5878 0.9865 0.9865 2.9744 2.9744 3.2374 3.2374 3.6041 3.6041 3.7227 3.7227 4.2712 4.2712 4.5667 4.5667 4.7818 4.7818 8.1970 8.1970 8.8786 8.8786 10.0984 10.0984 10.7952 10.7952 k = 0.1667 0.2887-0.0000 ( 6789 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3252 -21.3252 -21.2746 -21.2746 -7.6576 -7.6576 -6.1388 -6.1388 -5.9305 -5.9305 -5.3339 -5.3339 -5.2519 -5.2519 -5.0552 -5.0552 -5.0126 -5.0126 0.5855 0.5855 0.9799 0.9799 2.9762 2.9762 3.2337 3.2337 3.6030 3.6030 3.7217 3.7217 4.2726 4.2726 4.5673 4.5673 4.7481 4.7481 8.2390 8.2390 8.9052 8.9052 10.1098 10.1098 10.8237 10.8237 k = 0.1583 0.2742-0.0000 ( 6797 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3264 -21.3264 -21.2735 -21.2735 -7.6530 -7.6530 -6.1413 -6.1413 -5.9281 -5.9281 -5.3363 -5.3363 -5.2541 -5.2541 -5.0520 -5.0520 -5.0115 -5.0115 0.5831 0.5831 0.9733 0.9733 2.9793 2.9793 3.2294 3.2294 3.6019 3.6019 3.7206 3.7206 4.2739 4.2739 4.5677 4.5677 4.7134 4.7134 8.2849 8.2849 8.9311 8.9311 10.1239 10.1239 10.8437 10.8437 k = 0.1500 0.2598-0.0000 ( 6799 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3276 -21.3276 -21.2725 -21.2725 -7.6483 -7.6483 -6.1437 -6.1437 -5.9258 -5.9258 -5.3384 -5.3384 -5.2560 -5.2560 -5.0491 -5.0491 -5.0106 -5.0106 0.5807 0.5807 0.9667 0.9667 2.9838 2.9838 3.2246 3.2246 3.6010 3.6010 3.7196 3.7196 4.2752 4.2752 4.5677 4.5677 4.6778 4.6778 8.3347 8.3347 8.9564 8.9564 10.1407 10.1407 10.8440 10.8440 k = 0.1417 0.2454-0.0000 ( 6803 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3287 -21.3287 -21.2715 -21.2715 -7.6436 -7.6436 -6.1458 -6.1458 -5.9238 -5.9238 -5.3404 -5.3404 -5.2578 -5.2578 -5.0465 -5.0465 -5.0099 -5.0099 0.5782 0.5782 0.9600 0.9600 2.9895 2.9895 3.2195 3.2195 3.6001 3.6001 3.7186 3.7186 4.2763 4.2763 4.5669 4.5669 4.6421 4.6421 8.3879 8.3879 8.9814 8.9814 10.1602 10.1602 10.8252 10.8252 k = 0.1333 0.2309-0.0000 ( 6811 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3298 -21.3298 -21.2705 -21.2705 -7.6390 -7.6390 -6.1477 -6.1477 -5.9219 -5.9219 -5.3421 -5.3421 -5.2593 -5.2593 -5.0442 -5.0442 -5.0095 -5.0095 0.5758 0.5758 0.9535 0.9535 2.9965 2.9965 3.2140 3.2140 3.5992 3.5992 3.7176 3.7176 4.2772 4.2772 4.5635 4.5635 4.6083 4.6083 8.4444 8.4444 9.0061 9.0061 10.1822 10.1822 10.7999 10.7999 k = 0.1250 0.2165-0.0000 ( 6817 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3309 -21.3309 -21.2696 -21.2696 -7.6345 -7.6345 -6.1493 -6.1493 -5.9202 -5.9202 -5.3436 -5.3436 -5.2606 -5.2606 -5.0422 -5.0422 -5.0092 -5.0092 0.5733 0.5733 0.9471 0.9471 3.0047 3.0047 3.2084 3.2084 3.5984 3.5984 3.7167 3.7167 4.2780 4.2780 4.5492 4.5492 4.5849 4.5849 8.5038 8.5038 9.0307 9.0307 10.2067 10.2067 10.7732 10.7732 k = 0.1167 0.2021-0.0000 ( 6825 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3319 -21.3319 -21.2688 -21.2688 -7.6300 -7.6300 -6.1508 -6.1508 -5.9187 -5.9187 -5.3450 -5.3450 -5.2616 -5.2616 -5.0403 -5.0403 -5.0092 -5.0092 0.5709 0.5709 0.9409 0.9409 3.0141 3.0141 3.2027 3.2027 3.5975 3.5975 3.7158 3.7158 4.2787 4.2787 4.5186 4.5186 4.5777 4.5777 8.5657 8.5657 9.0553 9.0553 10.2337 10.2337 10.7467 10.7467 k = 0.1083 0.1876-0.0000 ( 6817 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3328 -21.3328 -21.2679 -21.2679 -7.6258 -7.6258 -6.1520 -6.1520 -5.9173 -5.9173 -5.3461 -5.3461 -5.2625 -5.2625 -5.0387 -5.0387 -5.0094 -5.0094 0.5685 0.5685 0.9349 0.9349 3.0244 3.0244 3.1970 3.1970 3.5966 3.5966 3.7150 3.7150 4.2793 4.2793 4.4829 4.4829 4.5757 4.5757 8.6298 8.6298 9.0801 9.0801 10.2630 10.2630 10.7211 10.7211 k = 0.1000 0.1732-0.0000 ( 6827 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3337 -21.3337 -21.2672 -21.2672 -7.6217 -7.6217 -6.1531 -6.1531 -5.9161 -5.9161 -5.3471 -5.3471 -5.2632 -5.2632 -5.0373 -5.0373 -5.0098 -5.0098 0.5662 0.5662 0.9291 0.9291 3.0356 3.0356 3.1914 3.1914 3.5956 3.5956 3.7142 3.7142 4.2797 4.2797 4.4466 4.4466 4.5749 4.5749 8.6955 8.6955 9.1049 9.1049 10.2944 10.2944 10.6968 10.6968 k = 0.0917 0.1588-0.0000 ( 6835 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3345 -21.3345 -21.2665 -21.2665 -7.6178 -7.6178 -6.1540 -6.1540 -5.9150 -5.9150 -5.3480 -5.3480 -5.2637 -5.2637 -5.0360 -5.0360 -5.0104 -5.0104 0.5640 0.5640 0.9237 0.9237 3.0475 3.0475 3.1861 3.1861 3.5945 3.5945 3.7135 3.7135 4.2800 4.2800 4.4106 4.4106 4.5744 4.5744 8.7623 8.7623 9.1298 9.1298 10.3277 10.3277 10.6741 10.6741 k = 0.0833 0.1443-0.0000 ( 6843 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3353 -21.3353 -21.2658 -21.2658 -7.6142 -7.6142 -6.1548 -6.1548 -5.9140 -5.9140 -5.3487 -5.3487 -5.2640 -5.2640 -5.0349 -5.0349 -5.0111 -5.0111 0.5619 0.5619 0.9185 0.9185 3.0599 3.0599 3.1810 3.1810 3.5934 3.5934 3.7129 3.7129 4.2802 4.2802 4.3757 4.3757 4.5741 4.5741 8.8295 8.8295 9.1545 9.1545 10.3627 10.3627 10.6530 10.6530 k = 0.0750 0.1299-0.0000 ( 6851 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3360 -21.3360 -21.2653 -21.2653 -7.6108 -7.6108 -6.1554 -6.1554 -5.9132 -5.9132 -5.3493 -5.3493 -5.2643 -5.2643 -5.0340 -5.0340 -5.0118 -5.0118 0.5600 0.5600 0.9137 0.9137 3.0725 3.0725 3.1764 3.1764 3.5922 3.5922 3.7123 3.7123 4.2803 4.2803 4.3423 4.3423 4.5738 4.5738 8.8963 8.8963 9.1790 9.1790 10.3988 10.3988 10.6339 10.6339 k = 0.0667 0.1155-0.0000 ( 6845 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3367 -21.3367 -21.2647 -21.2647 -7.6077 -7.6077 -6.1559 -6.1559 -5.9125 -5.9125 -5.3497 -5.3497 -5.2644 -5.2644 -5.0332 -5.0332 -5.0127 -5.0127 0.5582 0.5582 0.9094 0.9094 3.0850 3.0850 3.1722 3.1722 3.5910 3.5910 3.7119 3.7119 4.2803 4.2803 4.3108 4.3108 4.5736 4.5736 8.9619 8.9619 9.2030 9.2030 10.4355 10.4355 10.6169 10.6169 k = 0.0583 0.1010-0.0000 ( 6849 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3372 -21.3372 -21.2642 -21.2642 -7.6049 -7.6049 -6.1563 -6.1563 -5.9119 -5.9119 -5.3501 -5.3501 -5.2644 -5.2644 -5.0326 -5.0326 -5.0135 -5.0135 0.5566 0.5566 0.9054 0.9054 3.0970 3.0970 3.1687 3.1687 3.5898 3.5898 3.7115 3.7115 4.2790 4.2790 4.2830 4.2830 4.5734 4.5734 9.0252 9.0252 9.2260 9.2260 10.4718 10.4718 10.6020 10.6020 k = 0.0500 0.0866-0.0000 ( 6839 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3377 -21.3377 -21.2638 -21.2638 -7.6024 -7.6024 -6.1566 -6.1566 -5.9113 -5.9113 -5.3504 -5.3504 -5.2643 -5.2643 -5.0321 -5.0321 -5.0143 -5.0143 0.5552 0.5552 0.9020 0.9020 3.1082 3.1082 3.1659 3.1659 3.5885 3.5885 3.7112 3.7112 4.2549 4.2549 4.2806 4.2806 4.5732 4.5732 9.0849 9.0849 9.2477 9.2477 10.5064 10.5064 10.5894 10.5894 k = 0.0417 0.0722-0.0000 ( 6839 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3381 -21.3381 -21.2635 -21.2635 -7.6003 -7.6003 -6.1568 -6.1568 -5.9109 -5.9109 -5.3506 -5.3506 -5.2642 -5.2642 -5.0316 -5.0316 -5.0151 -5.0151 0.5539 0.5539 0.8990 0.8990 3.1179 3.1179 3.1641 3.1641 3.5873 3.5873 3.7109 3.7109 4.2317 4.2317 4.2805 4.2805 4.5731 4.5731 9.1396 9.1396 9.2674 9.2674 10.5372 10.5372 10.5792 10.5792 k = 0.0333 0.0577-0.0000 ( 6839 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3385 -21.3385 -21.2632 -21.2632 -7.5986 -7.5986 -6.1570 -6.1570 -5.9106 -5.9106 -5.3508 -5.3508 -5.2641 -5.2641 -5.0313 -5.0313 -5.0157 -5.0157 0.5529 0.5529 0.8965 0.8965 3.1257 3.1257 3.1634 3.1634 3.5862 3.5862 3.7107 3.7107 4.2120 4.2120 4.2804 4.2804 4.5729 4.5729 9.1879 9.1879 9.2847 9.2847 10.5599 10.5599 10.5728 10.5728 k = 0.0250 0.0433-0.0000 ( 6847 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3388 -21.3388 -21.2630 -21.2630 -7.5972 -7.5972 -6.1571 -6.1571 -5.9103 -5.9103 -5.3509 -5.3509 -5.2640 -5.2640 -5.0311 -5.0311 -5.0163 -5.0163 0.5520 0.5520 0.8946 0.8946 3.1311 3.1311 3.1639 3.1639 3.5852 3.5852 3.7105 3.7105 4.1962 4.1962 4.2803 4.2803 4.5727 4.5727 9.2279 9.2279 9.2988 9.2988 10.5604 10.5604 10.5807 10.5807 k = 0.0167 0.0289-0.0000 ( 6851 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3390 -21.3390 -21.2628 -21.2628 -7.5962 -7.5962 -6.1572 -6.1572 -5.9101 -5.9101 -5.3510 -5.3510 -5.2640 -5.2640 -5.0310 -5.0310 -5.0167 -5.0167 0.5515 0.5515 0.8932 0.8932 3.1344 3.1344 3.1652 3.1652 3.5844 3.5844 3.7104 3.7104 4.1847 4.1847 4.2802 4.2802 4.5726 4.5726 9.2581 9.2581 9.3093 9.3093 10.5539 10.5539 10.5870 10.5870 k = 0.0083 0.0144-0.0000 ( 6843 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3391 -21.3391 -21.2627 -21.2627 -7.5956 -7.5956 -6.1573 -6.1573 -5.9100 -5.9100 -5.3511 -5.3511 -5.2639 -5.2639 -5.0309 -5.0309 -5.0169 -5.0169 0.5511 0.5511 0.8923 0.8923 3.1359 3.1359 3.1664 3.1664 3.5839 3.5839 3.7103 3.7103 4.1777 4.1777 4.2802 4.2802 4.5726 4.5726 9.2771 9.2771 9.3155 9.3155 10.5483 10.5483 10.5891 10.5891 k = 0.0000 0.0000 0.0000 ( 6829 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3391 -21.3391 -21.2627 -21.2627 -7.5954 -7.5954 -6.1573 -6.1573 -5.9100 -5.9100 -5.3511 -5.3511 -5.2639 -5.2639 -5.0308 -5.0308 -5.0170 -5.0170 0.5510 0.5510 0.8921 0.8921 3.1364 3.1364 3.1669 3.1669 3.5838 3.5838 3.7103 3.7103 4.1754 4.1754 4.2803 4.2803 4.5727 4.5727 9.2836 9.2836 9.3176 9.3176 10.5461 10.5461 10.5898 10.5898 k = 0.0000 0.0000 0.0000 ( 6829 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3391 -21.3391 -21.2627 -21.2627 -7.5954 -7.5954 -6.1573 -6.1573 -5.9100 -5.9100 -5.3511 -5.3511 -5.2639 -5.2639 -5.0308 -5.0308 -5.0170 -5.0170 0.5510 0.5510 0.8921 0.8921 3.1364 3.1364 3.1669 3.1669 3.5838 3.5838 3.7103 3.7103 4.1754 4.1754 4.2803 4.2803 4.5727 4.5727 9.2836 9.2836 9.3176 9.3176 10.5461 10.5461 10.5898 10.5898 k = 0.0000 0.0000 0.0169 ( 6829 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3391 -21.3391 -21.2627 -21.2627 -7.5952 -7.5952 -6.1571 -6.1571 -5.9102 -5.9102 -5.3509 -5.3509 -5.2637 -5.2637 -5.0311 -5.0311 -5.0171 -5.0171 0.5169 0.5169 0.9277 0.9277 3.1270 3.1270 3.1592 3.1592 3.5947 3.5947 3.7192 3.7192 4.1764 4.1764 4.2808 4.2808 4.5726 4.5726 9.2739 9.2739 9.3299 9.3299 10.4563 10.4563 10.5247 10.5247 k = 0.0000 0.0000 0.0338 ( 6829 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3389 -21.3389 -21.2628 -21.2628 -7.5943 -7.5943 -6.1567 -6.1567 -5.9107 -5.9107 -5.3504 -5.3504 -5.2633 -5.2633 -5.0320 -5.0320 -5.0176 -5.0176 0.4393 0.4393 1.0101 1.0101 3.1011 3.1011 3.1376 3.1376 3.6250 3.6250 3.7445 3.7445 4.1793 4.1793 4.2824 4.2824 4.5726 4.5726 9.2580 9.2580 9.3535 9.3535 10.3396 10.3396 10.4164 10.4164 k = 0.0000 0.0000 0.0507 ( 6805 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3387 -21.3387 -21.2630 -21.2630 -7.5929 -7.5929 -6.1560 -6.1560 -5.9117 -5.9117 -5.3496 -5.3496 -5.2625 -5.2625 -5.0334 -5.0334 -5.0183 -5.0183 0.3457 0.3457 1.1115 1.1115 3.0639 3.0639 3.1053 3.1053 3.6696 3.6696 3.7826 3.7826 4.1843 4.1843 4.2854 4.2854 4.5726 4.5726 9.2429 9.2429 9.3815 9.3815 10.2214 10.2214 10.3017 10.3017 k = 0.0000 0.0000 0.0675 ( 6811 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3384 -21.3384 -21.2633 -21.2633 -7.5911 -7.5911 -6.1550 -6.1550 -5.9130 -5.9130 -5.3485 -5.3485 -5.2614 -5.2614 -5.0354 -5.0354 -5.0193 -5.0193 0.2471 0.2471 1.2211 1.2211 3.0201 3.0201 3.0660 3.0660 3.7235 3.7235 3.8296 3.8296 4.1913 4.1913 4.2899 4.2899 4.5725 4.5725 9.2295 9.2295 9.4127 9.4127 10.1034 10.1034 10.1855 10.1855 k = 0.0000 0.0000 0.0844 ( 6823 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3381 -21.3381 -21.2636 -21.2636 -7.5887 -7.5887 -6.1538 -6.1538 -5.9146 -5.9146 -5.3470 -5.3470 -5.2601 -5.2601 -5.0379 -5.0379 -5.0206 -5.0206 0.1474 0.1474 1.3347 1.3347 2.9727 2.9727 3.0223 3.0223 3.7832 3.7832 3.8820 3.8820 4.2005 4.2005 4.2967 4.2967 4.5725 4.5725 9.2180 9.2180 9.4468 9.4468 9.9858 9.9859 10.0689 10.0689 k = 0.0000 0.0000 0.1013 ( 6823 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3376 -21.3376 -21.2640 -21.2640 -7.5858 -7.5858 -6.1522 -6.1522 -5.9167 -5.9167 -5.3453 -5.3453 -5.2584 -5.2584 -5.0410 -5.0410 -5.0221 -5.0221 0.0483 0.0483 1.4507 1.4507 2.9237 2.9237 2.9764 2.9764 3.8465 3.8465 3.9369 3.9369 4.2124 4.2124 4.3068 4.3068 4.5725 4.5725 9.2083 9.2083 9.4836 9.4836 9.8692 9.8692 9.9525 9.9525 k = 0.0000 0.0000 0.1182 ( 6823 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3371 -21.3371 -21.2645 -21.2645 -7.5824 -7.5824 -6.1504 -6.1504 -5.9191 -5.9191 -5.3432 -5.3432 -5.2565 -5.2565 -5.0446 -5.0446 -5.0240 -5.0240 -0.0492 -0.0492 1.5680 1.5680 2.8745 2.8745 2.9295 2.9295 3.9112 3.9112 3.9912 3.9912 4.2274 4.2274 4.3217 4.3217 4.5726 4.5726 9.2002 9.2002 9.5226 9.5226 9.7543 9.7543 9.8367 9.8367 k = 0.0000 0.0000 0.1351 ( 6811 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3365 -21.3365 -21.2651 -21.2651 -7.5787 -7.5787 -6.1484 -6.1484 -5.9218 -5.9218 -5.3407 -5.3407 -5.2543 -5.2543 -5.0487 -5.0487 -5.0261 -5.0261 -0.1446 -0.1446 1.6858 1.6858 2.8258 2.8258 2.8826 2.8826 3.9754 3.9754 4.0419 4.0419 4.2466 4.2466 4.3435 4.3435 4.5727 4.5727 9.1937 9.1937 9.5596 9.5596 9.6451 9.6451 9.7216 9.7216 k = 0.0000 0.0000 0.1520 ( 6811 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3358 -21.3358 -21.2657 -21.2657 -7.5745 -7.5745 -6.1460 -6.1460 -5.9248 -5.9248 -5.3380 -5.3380 -5.2518 -5.2518 -5.0532 -5.0532 -5.0284 -5.0284 -0.2375 -0.2375 1.8038 1.8038 2.7781 2.7781 2.8362 2.8362 4.0365 4.0365 4.0855 4.0855 4.2718 4.2718 4.3749 4.3749 4.5730 4.5730 9.1883 9.1883 9.5158 9.5158 9.6074 9.6074 9.6207 9.6207 k = 0.0000 0.0000 0.1689 ( 6805 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3351 -21.3351 -21.2664 -21.2664 -7.5700 -7.5700 -6.1434 -6.1434 -5.9282 -5.9282 -5.3349 -5.3349 -5.2491 -5.2491 -5.0582 -5.0582 -5.0310 -5.0310 -0.3276 -0.3276 1.9213 1.9213 2.7317 2.7317 2.7908 2.7908 4.0912 4.0912 4.1200 4.1200 4.3053 4.3053 4.4176 4.4176 4.5736 4.5736 9.1833 9.1833 9.4089 9.4089 9.4942 9.4942 9.6641 9.6641 k = 0.0000 0.0000 0.1857 ( 6829 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3343 -21.3343 -21.2671 -21.2671 -7.5652 -7.5652 -6.1406 -6.1406 -5.9319 -5.9319 -5.3316 -5.3316 -5.2461 -5.2461 -5.0637 -5.0637 -5.0338 -5.0338 -0.4146 -0.4146 2.0381 2.0381 2.6869 2.6869 2.7468 2.7468 4.1368 4.1368 4.1452 4.1452 4.3493 4.3493 4.4710 4.4710 4.5747 4.5747 9.1754 9.1754 9.3043 9.3043 9.3822 9.3822 9.7125 9.7125 k = 0.0000 0.0000 0.2026 ( 6835 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3335 -21.3335 -21.2679 -21.2679 -7.5602 -7.5602 -6.1375 -6.1375 -5.9358 -5.9358 -5.3279 -5.3279 -5.2429 -5.2429 -5.0696 -5.0696 -5.0369 -5.0369 -0.4984 -0.4984 2.1535 2.1535 2.6441 2.6441 2.7043 2.7043 4.1628 4.1628 4.1728 4.1728 4.4030 4.4030 4.5332 4.5332 4.5771 4.5771 9.1441 9.1441 9.2254 9.2254 9.2716 9.2716 9.7629 9.7629 k = 0.0000 0.0000 0.2195 ( 6817 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3326 -21.3326 -21.2687 -21.2687 -7.5549 -7.5549 -6.1341 -6.1341 -5.9401 -5.9401 -5.3239 -5.3239 -5.2394 -5.2394 -5.0758 -5.0758 -5.0402 -5.0402 -0.5787 -0.5787 2.2672 2.2672 2.6035 2.6035 2.6636 2.6636 4.1752 4.1752 4.2009 4.2009 4.4622 4.4622 4.5828 4.5828 4.6016 4.6016 9.0585 9.0585 9.1625 9.1625 9.2035 9.2035 9.8141 9.8141 k = 0.0000 0.0000 0.2364 ( 6828 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3316 -21.3316 -21.2696 -21.2696 -7.5495 -7.5495 -6.1305 -6.1305 -5.9446 -5.9446 -5.3196 -5.3196 -5.2358 -5.2358 -5.0824 -5.0824 -5.0436 -5.0436 -0.6554 -0.6554 2.3778 2.3778 2.5658 2.5658 2.6247 2.6247 4.1838 4.1838 4.2236 4.2236 4.5156 4.5156 4.5998 4.5998 4.6742 4.6742 8.9567 8.9567 9.0551 9.0551 9.2007 9.2007 9.8653 9.8653 k = 0.0000 0.0000 0.2533 ( 6828 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3307 -21.3307 -21.2705 -21.2705 -7.5441 -7.5441 -6.1267 -6.1267 -5.9493 -5.9493 -5.3150 -5.3150 -5.2320 -5.2320 -5.0893 -5.0893 -5.0473 -5.0473 -0.7283 -0.7283 2.4771 2.4771 2.5392 2.5392 2.5878 2.5878 4.1900 4.1900 4.2429 4.2429 4.5442 4.5442 4.6449 4.6449 4.7492 4.7492 8.8536 8.8536 8.9497 8.9497 9.2023 9.2023 9.9153 9.9153 k = 0.0000 0.0000 0.2702 ( 6798 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3296 -21.3296 -21.2715 -21.2715 -7.5386 -7.5386 -6.1226 -6.1226 -5.9542 -5.9542 -5.3101 -5.3101 -5.2280 -5.2280 -5.0965 -5.0965 -5.0511 -5.0511 -0.7973 -0.7973 2.4840 2.4840 2.5531 2.5531 2.6043 2.6043 4.1946 4.1946 4.2597 4.2597 4.5537 4.5537 4.7110 4.7110 4.8258 4.8258 8.7518 8.7518 8.8466 8.8466 9.2060 9.2060 9.9627 9.9627 k = 0.0000 0.0000 0.2870 ( 6804 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3286 -21.3286 -21.2725 -21.2725 -7.5331 -7.5331 -6.1184 -6.1184 -5.9594 -5.9594 -5.3049 -5.3049 -5.2239 -5.2239 -5.1039 -5.1039 -5.0550 -5.0550 -0.8622 -0.8622 2.4544 2.4544 2.5204 2.5204 2.7047 2.7047 4.1981 4.1981 4.2745 4.2745 4.5572 4.5572 4.7835 4.7835 4.9028 4.9028 8.6523 8.6523 8.7460 8.7460 9.2111 9.2111 10.0058 10.0058 k = 0.0000 0.0000 0.3039 ( 6804 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3276 -21.3276 -21.2735 -21.2735 -7.5278 -7.5278 -6.1140 -6.1140 -5.9647 -5.9647 -5.2994 -5.2994 -5.2197 -5.2197 -5.1115 -5.1115 -5.0590 -5.0590 -0.9229 -0.9229 2.4248 2.4248 2.4900 2.4900 2.8035 2.8035 4.2007 4.2007 4.2877 4.2877 4.5588 4.5588 4.8575 4.8575 4.9794 4.9794 8.5555 8.5555 8.6483 8.6483 9.2172 9.2172 10.0431 10.0431 k = 0.0000 0.0000 0.3208 ( 6810 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3265 -21.3265 -21.2745 -21.2745 -7.5226 -7.5226 -6.1094 -6.1094 -5.9701 -5.9701 -5.2937 -5.2937 -5.2155 -5.2155 -5.1194 -5.1194 -5.0631 -5.0631 -0.9792 -0.9792 2.3970 2.3970 2.4619 2.4619 2.8984 2.8984 4.2027 4.2027 4.2994 4.2994 4.5596 4.5596 4.9313 4.9313 5.0550 5.0550 8.4620 8.4620 8.5540 8.5540 9.2242 9.2242 10.0727 10.0727 k = 0.0000 0.0000 0.3377 ( 6816 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3255 -21.3255 -21.2755 -21.2755 -7.5176 -7.5176 -6.1046 -6.1046 -5.9757 -5.9757 -5.2877 -5.2877 -5.2112 -5.2112 -5.1274 -5.1274 -5.0673 -5.0673 -1.0311 -1.0311 2.3713 2.3713 2.4361 2.4361 2.9886 2.9886 4.2042 4.2042 4.3095 4.3095 4.5600 4.5600 5.0036 5.0036 5.1288 5.1288 8.3725 8.3725 8.4636 8.4636 9.2320 9.2320 10.0934 10.0934 k = 0.0000 0.0000 0.3546 ( 6798 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3244 -21.3244 -21.2764 -21.2764 -7.5129 -7.5129 -6.0997 -6.0997 -5.9814 -5.9814 -5.2814 -5.2814 -5.2069 -5.2069 -5.1355 -5.1355 -5.0714 -5.0714 -1.0784 -1.0784 2.3481 2.3481 2.4127 2.4127 3.0733 3.0733 4.2055 4.2055 4.3182 4.3182 4.5603 4.5603 5.0735 5.0735 5.2001 5.2001 8.2875 8.2875 8.3777 8.3777 9.2404 9.2404 10.1047 10.1047 k = 0.0000 0.0000 0.3715 ( 6804 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3234 -21.3234 -21.2774 -21.2774 -7.5085 -7.5085 -6.0947 -6.0947 -5.9871 -5.9871 -5.2750 -5.2750 -5.2026 -5.2026 -5.1437 -5.1437 -5.0755 -5.0755 -1.1210 -1.1210 2.3271 2.3271 2.3916 2.3916 3.1518 3.1518 4.2064 4.2064 4.3253 4.3253 4.5603 4.5603 5.1400 5.1400 5.2680 5.2680 8.2077 8.2077 8.2970 8.2970 9.2491 9.2491 10.1070 10.1070 k = 0.0000 0.0000 0.3884 ( 6792 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3225 -21.3225 -21.2783 -21.2783 -7.5045 -7.5045 -6.0896 -6.0896 -5.9928 -5.9928 -5.2683 -5.2683 -5.1985 -5.1985 -5.1519 -5.1519 -5.0795 -5.0795 -1.1589 -1.1589 2.3086 2.3086 2.3730 2.3730 3.2236 3.2236 4.2072 4.2072 4.3310 4.3310 4.5603 4.5603 5.2024 5.2024 5.3316 5.3316 8.1339 8.1339 8.2223 8.2223 9.2581 9.2581 10.1017 10.1017 k = 0.0000 0.0000 0.4052 ( 6792 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3216 -21.3216 -21.2791 -21.2791 -7.5009 -7.5009 -6.0845 -6.0845 -5.9984 -5.9984 -5.2615 -5.2615 -5.1946 -5.1946 -5.1601 -5.1601 -5.0833 -5.0833 -1.1919 -1.1919 2.2924 2.2924 2.3568 2.3568 3.2879 3.2879 4.2078 4.2078 4.3352 4.3352 4.5603 4.5603 5.2595 5.2595 5.3899 5.3899 8.0671 8.0671 8.1544 8.1544 9.2669 9.2669 10.0910 10.0910 k = 0.0000 0.0000 0.4221 ( 6786 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7717 -41.7717 -21.3209 -21.3209 -21.2798 -21.2798 -7.4978 -7.4978 -6.0795 -6.0795 -6.0039 -6.0039 -5.2545 -5.2545 -5.1910 -5.1910 -5.1683 -5.1683 -5.0868 -5.0868 -1.2199 -1.2199 2.2787 2.2787 2.3431 2.3431 3.3439 3.3439 4.2083 4.2083 4.3383 4.3383 4.5603 4.5603 5.3103 5.3103 5.4419 5.4419 8.0081 8.0081 8.0945 8.0945 9.2754 9.2754 10.0770 10.0770 k = 0.0000 0.0000 0.4390 ( 6810 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3202 -21.3202 -21.2805 -21.2805 -7.4953 -7.4953 -6.0747 -6.0747 -6.0091 -6.0091 -5.2475 -5.2475 -5.1878 -5.1878 -5.1763 -5.1763 -5.0900 -5.0900 -1.2430 -1.2430 2.2675 2.2675 2.3318 2.3318 3.3910 3.3910 4.2086 4.2086 4.3403 4.3403 4.5601 4.5601 5.3538 5.3538 5.4864 5.4864 7.9580 7.9580 8.0435 8.0435 9.2831 9.2831 10.0620 10.0620 k = 0.0000 0.0000 0.4559 ( 6804 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3197 -21.3197 -21.2810 -21.2810 -7.4932 -7.4932 -6.0703 -6.0703 -6.0138 -6.0138 -5.2407 -5.2407 -5.1852 -5.1852 -5.1839 -5.1839 -5.0926 -5.0926 -1.2609 -1.2609 2.2587 2.2587 2.3230 2.3230 3.4285 3.4285 4.2088 4.2088 4.3415 4.3415 4.5601 4.5601 5.3889 5.3889 5.5225 5.5225 7.9178 7.9178 8.0025 8.0025 9.2896 9.2896 10.0481 10.0481 k = 0.0000 0.0000 0.4728 ( 6804 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3193 -21.3193 -21.2814 -21.2814 -7.4917 -7.4917 -6.0666 -6.0666 -6.0178 -6.0178 -5.2343 -5.2343 -5.1909 -5.1909 -5.1831 -5.1831 -5.0946 -5.0946 -1.2738 -1.2738 2.2525 2.2525 2.3168 2.3168 3.4558 3.4558 4.2090 4.2090 4.3421 4.3421 4.5600 4.5600 5.4148 5.4148 5.5491 5.5491 7.8883 7.8883 7.9724 7.9724 9.2946 9.2946 10.0370 10.0370 k = 0.0000 0.0000 0.4897 ( 6804 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3190 -21.3190 -21.2816 -21.2816 -7.4908 -7.4908 -6.0640 -6.0640 -6.0205 -6.0205 -5.2291 -5.2291 -5.1964 -5.1964 -5.1819 -5.1819 -5.0958 -5.0958 -1.2815 -1.2815 2.2487 2.2487 2.3130 2.3130 3.4724 3.4724 4.2091 4.2091 4.3424 4.3424 4.5600 4.5600 5.4307 5.4307 5.5654 5.5654 7.8702 7.8702 7.9540 7.9540 9.2978 9.2978 10.0298 10.0298 k = 0.0000 0.0000 0.5066 ( 6816 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3189 -21.3189 -21.2817 -21.2817 -7.4905 -7.4905 -6.0631 -6.0631 -6.0215 -6.0215 -5.2270 -5.2270 -5.1987 -5.1987 -5.1814 -5.1814 -5.0962 -5.0962 -1.2841 -1.2841 2.2475 2.2475 2.3117 2.3117 3.4779 3.4779 4.2091 4.2091 4.3423 4.3423 4.5600 4.5600 5.4360 5.4360 5.5709 5.5709 7.8642 7.8642 7.9478 7.9478 9.2989 9.2989 10.0272 10.0272 k = 0.0000 0.0000 0.5066 ( 6816 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3189 -21.3189 -21.2817 -21.2817 -7.4905 -7.4905 -6.0631 -6.0631 -6.0215 -6.0215 -5.2270 -5.2270 -5.1987 -5.1987 -5.1814 -5.1814 -5.0962 -5.0962 -1.2841 -1.2841 2.2475 2.2475 2.3117 2.3117 3.4779 3.4779 4.2091 4.2091 4.3423 4.3423 4.5600 4.5600 5.4360 5.4360 5.5709 5.5709 7.8642 7.8642 7.9478 7.9478 9.2989 9.2989 10.0272 10.0272 k = 0.0147 0.0085 0.5066 ( 6816 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3189 -21.3189 -21.2817 -21.2817 -7.4907 -7.4907 -6.0634 -6.0634 -6.0213 -6.0213 -5.2272 -5.2272 -5.2007 -5.2007 -5.1793 -5.1793 -5.0960 -5.0960 -1.2839 -1.2839 2.2475 2.2475 2.3117 2.3117 3.4784 3.4784 4.2091 4.2091 4.3429 4.3429 4.5600 4.5600 5.4360 5.4360 5.5709 5.5709 7.8638 7.8638 7.9474 7.9474 9.3006 9.3006 10.0285 10.0285 k = 0.0294 0.0170 0.5066 ( 6808 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3188 -21.3188 -21.2818 -21.2818 -7.4913 -7.4913 -6.0642 -6.0642 -6.0207 -6.0207 -5.2281 -5.2281 -5.2051 -5.2051 -5.1744 -5.1744 -5.0953 -5.0953 -1.2832 -1.2832 2.2477 2.2477 2.3118 2.3118 3.4797 3.4797 4.2091 4.2091 4.3446 4.3446 4.5601 4.5601 5.4360 5.4360 5.5709 5.5709 7.8625 7.8625 7.9464 7.9464 9.3059 9.3059 10.0322 10.0322 k = 0.0441 0.0255 0.5066 ( 6802 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3187 -21.3187 -21.2818 -21.2818 -7.4923 -7.4923 -6.0655 -6.0655 -6.0199 -6.0199 -5.2297 -5.2297 -5.2099 -5.2099 -5.1687 -5.1687 -5.0942 -5.0942 -1.2821 -1.2821 2.2480 2.2480 2.3120 2.3120 3.4818 3.4818 4.2090 4.2090 4.3473 4.3473 4.5601 4.5601 5.4359 5.4359 5.5708 5.5708 7.8596 7.8596 7.9455 7.9455 9.3146 9.3146 10.0382 10.0382 k = 0.0588 0.0340 0.5066 ( 6790 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3186 -21.3186 -21.2819 -21.2819 -7.4937 -7.4937 -6.0672 -6.0672 -6.0188 -6.0188 -5.2322 -5.2322 -5.2144 -5.2144 -5.1626 -5.1626 -5.0926 -5.0926 -1.2805 -1.2805 2.2482 2.2482 2.3123 2.3123 3.4848 3.4848 4.2089 4.2089 4.3511 4.3511 4.5603 4.5603 5.4359 5.4359 5.5707 5.5707 7.8543 7.8543 7.9457 7.9457 9.3268 9.3268 10.0465 10.0465 k = 0.0735 0.0425 0.5066 ( 6786 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3184 -21.3184 -21.2820 -21.2820 -7.4954 -7.4954 -6.0692 -6.0692 -6.0175 -6.0175 -5.2358 -5.2358 -5.2181 -5.2181 -5.1565 -5.1565 -5.0906 -5.0906 -1.2785 -1.2785 2.2484 2.2484 2.3127 2.3127 3.4885 3.4885 4.2088 4.2088 4.3559 4.3559 4.5605 4.5605 5.4358 5.4358 5.5706 5.5706 7.8456 7.8456 7.9478 7.9478 9.3423 9.3423 10.0566 10.0566 k = 0.0882 0.0509 0.5066 ( 6792 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3182 -21.3182 -21.2822 -21.2822 -7.4975 -7.4975 -6.0716 -6.0716 -6.0161 -6.0161 -5.2404 -5.2404 -5.2209 -5.2209 -5.1504 -5.1504 -5.0883 -5.0883 -1.2760 -1.2760 2.2485 2.2485 2.3136 2.3136 3.4929 3.4929 4.2086 4.2086 4.3618 4.3618 4.5607 4.5607 5.4357 5.4357 5.5704 5.5704 7.8333 7.8333 7.9525 7.9525 9.3612 9.3612 10.0683 10.0683 k = 0.1029 0.0594 0.5066 ( 6808 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3179 -21.3179 -21.2824 -21.2824 -7.4999 -7.4999 -6.0741 -6.0741 -6.0147 -6.0147 -5.2458 -5.2458 -5.2231 -5.2231 -5.1443 -5.1443 -5.0856 -5.0856 -1.2732 -1.2732 2.2483 2.2483 2.3148 2.3148 3.4981 3.4981 4.2083 4.2083 4.3688 4.3688 4.5609 4.5609 5.4355 5.4355 5.5702 5.5702 7.8172 7.8172 7.9597 7.9597 9.3834 9.3834 10.0814 10.0814 k = 0.1176 0.0679 0.5066 ( 6804 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3176 -21.3176 -21.2826 -21.2826 -7.5026 -7.5026 -6.0769 -6.0769 -6.0132 -6.0132 -5.2517 -5.2517 -5.2248 -5.2248 -5.1384 -5.1384 -5.0826 -5.0826 -1.2700 -1.2700 2.2477 2.2477 2.3165 2.3165 3.5038 3.5038 4.2081 4.2081 4.3768 4.3768 4.5612 4.5612 5.4354 5.4354 5.5700 5.5700 7.7979 7.7979 7.9693 7.9693 9.4087 9.4087 10.0954 10.0954 k = 0.1324 0.0764 0.5066 ( 6808 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3173 -21.3173 -21.2828 -21.2828 -7.5056 -7.5056 -6.0797 -6.0797 -6.0118 -6.0118 -5.2578 -5.2578 -5.2262 -5.2262 -5.1328 -5.1328 -5.0794 -5.0794 -1.2665 -1.2665 2.2468 2.2468 2.3187 2.3187 3.5101 3.5101 4.2078 4.2078 4.3858 4.3858 4.5616 4.5616 5.4353 5.4353 5.5698 5.5698 7.7756 7.7756 7.9810 7.9810 9.4371 9.4371 10.1102 10.1102 k = 0.1471 0.0849 0.5066 ( 6820 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3169 -21.3169 -21.2830 -21.2830 -7.5088 -7.5088 -6.0827 -6.0827 -6.0104 -6.0104 -5.2640 -5.2640 -5.2273 -5.2273 -5.1273 -5.1273 -5.0758 -5.0758 -1.2626 -1.2626 2.2455 2.2455 2.3215 2.3215 3.5168 3.5168 4.2075 4.2075 4.3957 4.3957 4.5620 4.5620 5.4352 5.4352 5.5696 5.5696 7.7508 7.7508 7.9946 7.9946 9.4683 9.4683 10.1253 10.1253 k = 0.1618 0.0934 0.5066 ( 6816 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3165 -21.3165 -21.2833 -21.2833 -7.5122 -7.5122 -6.0857 -6.0857 -6.0091 -6.0091 -5.2703 -5.2703 -5.2283 -5.2283 -5.1222 -5.1222 -5.0720 -5.0720 -1.2585 -1.2585 2.2439 2.2439 2.3249 2.3249 3.5240 3.5240 4.2071 4.2071 4.4067 4.4067 4.5625 4.5625 5.4352 5.4352 5.5695 5.5695 7.7238 7.7238 8.0097 8.0097 9.5022 9.5022 10.1404 10.1404 k = 0.1765 0.1019 0.5066 ( 6804 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3160 -21.3160 -21.2836 -21.2836 -7.5158 -7.5158 -6.0887 -6.0887 -6.0080 -6.0080 -5.2765 -5.2765 -5.2290 -5.2290 -5.1174 -5.1174 -5.0680 -5.0680 -1.2540 -1.2540 2.2418 2.2418 2.3288 2.3288 3.5315 3.5315 4.2068 4.2068 4.4185 4.4185 4.5632 4.5632 5.4352 5.4352 5.5694 5.5694 7.6950 7.6950 8.0262 8.0262 9.5385 9.5385 10.1555 10.1555 k = 0.1912 0.1104 0.5066 ( 6800 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3155 -21.3155 -21.2839 -21.2839 -7.5196 -7.5196 -6.0918 -6.0918 -6.0069 -6.0069 -5.2827 -5.2827 -5.2296 -5.2296 -5.1129 -5.1129 -5.0637 -5.0637 -1.2494 -1.2494 2.2395 2.2395 2.3332 2.3332 3.5393 3.5393 4.2064 4.2064 4.4312 4.4312 4.5639 4.5639 5.4352 5.4352 5.5693 5.5693 7.6646 7.6646 8.0439 8.0439 9.5769 9.5769 10.1704 10.1704 k = 0.2059 0.1189 0.5066 ( 6796 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3150 -21.3150 -21.2843 -21.2843 -7.5235 -7.5235 -6.0948 -6.0948 -6.0060 -6.0060 -5.2889 -5.2889 -5.2300 -5.2300 -5.1089 -5.1089 -5.0592 -5.0592 -1.2446 -1.2446 2.2368 2.2368 2.3380 2.3380 3.5472 3.5472 4.2061 4.2061 4.4447 4.4447 4.5648 4.5648 5.4353 5.4353 5.5692 5.5692 7.6329 7.6329 8.0626 8.0626 9.6172 9.6172 10.1848 10.1848 k = 0.2206 0.1274 0.5066 ( 6800 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3145 -21.3145 -21.2847 -21.2847 -7.5275 -7.5275 -6.0978 -6.0978 -6.0052 -6.0052 -5.2949 -5.2949 -5.2302 -5.2302 -5.1053 -5.1053 -5.0545 -5.0545 -1.2397 -1.2397 2.2340 2.2340 2.3432 2.3432 3.5552 3.5552 4.2056 4.2056 4.4587 4.4587 4.5658 4.5658 5.4354 5.4354 5.5692 5.5692 7.6001 7.6001 8.0821 8.0821 9.6589 9.6589 10.1988 10.1988 k = 0.2353 0.1358 0.5066 ( 6804 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3140 -21.3140 -21.2851 -21.2851 -7.5315 -7.5315 -6.1008 -6.1008 -6.0045 -6.0045 -5.3008 -5.3008 -5.2302 -5.2302 -5.1021 -5.1021 -5.0496 -5.0496 -1.2347 -1.2347 2.2310 2.2310 2.3486 2.3486 3.5633 3.5633 4.2052 4.2052 4.4732 4.4732 4.5672 4.5672 5.4356 5.4356 5.5692 5.5692 7.5664 7.5664 8.1023 8.1023 9.7016 9.7016 10.2125 10.2125 k = 0.2500 0.1443 0.5066 ( 6788 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3134 -21.3134 -21.2855 -21.2855 -7.5355 -7.5355 -6.1036 -6.1036 -6.0040 -6.0040 -5.3066 -5.3066 -5.2301 -5.2301 -5.0993 -5.0993 -5.0446 -5.0446 -1.2296 -1.2296 2.2279 2.2279 2.3542 2.3542 3.5713 3.5713 4.2049 4.2049 4.4880 4.4880 4.5690 4.5690 5.4359 5.4359 5.5693 5.5693 7.5322 7.5322 8.1231 8.1231 9.7447 9.7447 10.2260 10.2260 k = 0.2647 0.1528 0.5066 ( 6798 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3128 -21.3128 -21.2859 -21.2859 -7.5395 -7.5395 -6.1064 -6.1064 -6.0036 -6.0036 -5.3122 -5.3122 -5.2297 -5.2297 -5.0969 -5.0969 -5.0396 -5.0396 -1.2245 -1.2245 2.2247 2.2247 2.3599 2.3599 3.5792 3.5792 4.2044 4.2044 4.5026 4.5026 4.5713 4.5713 5.4362 5.4362 5.5695 5.5695 7.4976 7.4976 8.1441 8.1441 9.7878 9.7878 10.2396 10.2396 k = 0.2794 0.1613 0.5066 ( 6800 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3122 -21.3122 -21.2864 -21.2864 -7.5434 -7.5434 -6.1090 -6.1090 -6.0034 -6.0034 -5.3176 -5.3176 -5.2293 -5.2293 -5.0949 -5.0949 -5.0345 -5.0345 -1.2194 -1.2194 2.2215 2.2215 2.3657 2.3657 3.5870 3.5870 4.2040 4.2040 4.5167 4.5167 4.5747 4.5747 5.4365 5.4365 5.5696 5.5696 7.4630 7.4630 8.1653 8.1653 9.8300 9.8300 10.2535 10.2535 k = 0.2941 0.1698 0.5066 ( 6810 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3115 -21.3115 -21.2868 -21.2868 -7.5473 -7.5473 -6.1116 -6.1116 -6.0032 -6.0032 -5.3228 -5.3228 -5.2287 -5.2287 -5.0932 -5.0932 -5.0295 -5.0295 -1.2144 -1.2144 2.2184 2.2184 2.3714 2.3714 3.5945 3.5945 4.2036 4.2036 4.5293 4.5293 4.5798 4.5798 5.4370 5.4370 5.5699 5.5699 7.4285 7.4285 8.1864 8.1864 9.8708 9.8708 10.2682 10.2682 k = 0.3088 0.1783 0.5066 ( 6800 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3109 -21.3109 -21.2873 -21.2873 -7.5510 -7.5510 -6.1140 -6.1140 -6.0031 -6.0031 -5.3278 -5.3278 -5.2280 -5.2280 -5.0919 -5.0919 -5.0245 -5.0245 -1.2096 -1.2096 2.2153 2.2153 2.3771 2.3771 3.6017 3.6017 4.2032 4.2032 4.5395 4.5395 4.5874 4.5874 5.4375 5.4375 5.5702 5.5702 7.3944 7.3944 8.2073 8.2073 9.9094 9.9094 10.2841 10.2841 k = 0.3235 0.1868 0.5066 ( 6808 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3103 -21.3103 -21.2878 -21.2878 -7.5546 -7.5546 -6.1162 -6.1162 -6.0031 -6.0031 -5.3324 -5.3324 -5.2273 -5.2273 -5.0908 -5.0908 -5.0197 -5.0197 -1.2049 -1.2049 2.2124 2.2124 2.3826 2.3826 3.6086 3.6086 4.2028 4.2028 4.5468 4.5468 4.5977 4.5977 5.4381 5.4381 5.5706 5.5706 7.3610 7.3610 8.2277 8.2277 9.9452 9.9452 10.3016 10.3016 k = 0.3382 0.1953 0.5066 ( 6812 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3096 -21.3096 -21.2883 -21.2883 -7.5580 -7.5580 -6.1183 -6.1183 -6.0032 -6.0032 -5.3368 -5.3368 -5.2264 -5.2264 -5.0900 -5.0900 -5.0150 -5.0150 -1.2004 -1.2004 2.2095 2.2095 2.3878 2.3878 3.6151 3.6151 4.2025 4.2025 4.5517 4.5517 4.6103 4.6103 5.4388 5.4388 5.5710 5.5710 7.3287 7.3287 8.2474 8.2474 9.9777 9.9777 10.3206 10.3206 k = 0.3529 0.2038 0.5066 ( 6800 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3090 -21.3090 -21.2888 -21.2888 -7.5612 -7.5612 -6.1203 -6.1203 -6.0034 -6.0034 -5.3409 -5.3409 -5.2256 -5.2256 -5.0894 -5.0894 -5.0106 -5.0106 -1.1961 -1.1961 2.2069 2.2069 2.3929 2.3929 3.6211 3.6211 4.2022 4.2022 4.5550 4.5550 4.6240 4.6240 5.4395 5.4395 5.5714 5.5714 7.2976 7.2976 8.2663 8.2663 10.0068 10.0068 10.3407 10.3407 k = 0.3676 0.2123 0.5066 ( 6794 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3084 -21.3084 -21.2893 -21.2893 -7.5641 -7.5641 -6.1220 -6.1220 -6.0036 -6.0036 -5.3447 -5.3447 -5.2247 -5.2247 -5.0890 -5.0890 -5.0064 -5.0064 -1.1922 -1.1922 2.2045 2.2045 2.3976 2.3976 3.6267 3.6267 4.2019 4.2019 4.5573 4.5573 4.6380 4.6380 5.4402 5.4402 5.5719 5.5719 7.2682 7.2682 8.2841 8.2841 10.0326 10.0326 10.3606 10.3606 k = 0.3824 0.2208 0.5066 ( 6796 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3078 -21.3078 -21.2898 -21.2898 -7.5668 -7.5668 -6.1236 -6.1236 -6.0038 -6.0038 -5.3481 -5.3481 -5.2238 -5.2238 -5.0888 -5.0888 -5.0026 -5.0026 -1.1885 -1.1885 2.2022 2.2022 2.4019 2.4019 3.6318 3.6318 4.2016 4.2016 4.5589 4.5589 4.6517 4.6517 5.4410 5.4410 5.5724 5.5724 7.2407 7.2407 8.3007 8.3007 10.0556 10.0556 10.3765 10.3765 k = 0.3971 0.2292 0.5066 ( 6792 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3072 -21.3072 -21.2902 -21.2902 -7.5693 -7.5693 -6.1250 -6.1250 -6.0040 -6.0040 -5.3512 -5.3512 -5.2230 -5.2230 -5.0887 -5.0887 -4.9991 -4.9991 -1.1852 -1.1852 2.2002 2.2002 2.4059 2.4059 3.6364 3.6364 4.2013 4.2013 4.5602 4.5602 4.6646 4.6646 5.4417 5.4417 5.5730 5.5730 7.2155 7.2155 8.3159 8.3159 10.0765 10.0765 10.3807 10.3807 k = 0.4118 0.2377 0.5066 ( 6788 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3066 -21.3066 -21.2907 -21.2907 -7.5714 -7.5714 -6.1263 -6.1263 -6.0043 -6.0043 -5.3539 -5.3539 -5.2222 -5.2222 -5.0886 -5.0886 -4.9960 -4.9960 -1.1823 -1.1823 2.1984 2.1984 2.4093 2.4093 3.6404 3.6404 4.2011 4.2011 4.5612 4.5612 4.6765 4.6765 5.4424 5.4424 5.5735 5.5735 7.1928 7.1928 8.3294 8.3294 10.0958 10.0958 10.3684 10.3684 k = 0.4265 0.2462 0.5066 ( 6788 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3062 -21.3062 -21.2911 -21.2911 -7.5733 -7.5733 -6.1273 -6.1273 -6.0045 -6.0045 -5.3562 -5.3562 -5.2215 -5.2215 -5.0886 -5.0886 -4.9934 -4.9934 -1.1798 -1.1798 2.1969 2.1969 2.4123 2.4123 3.6439 3.6439 4.2009 4.2009 4.5619 4.5619 4.6870 4.6870 5.4431 5.4431 5.5740 5.5740 7.1731 7.1731 8.3411 8.3411 10.1144 10.1144 10.3469 10.3469 k = 0.4412 0.2547 0.5066 ( 6778 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3057 -21.3057 -21.2915 -21.2915 -7.5748 -7.5748 -6.1282 -6.1282 -6.0047 -6.0047 -5.3581 -5.3581 -5.2209 -5.2209 -5.0887 -5.0887 -4.9911 -4.9911 -1.1777 -1.1777 2.1956 2.1956 2.4148 2.4148 3.6467 3.6467 4.2008 4.2008 4.5625 4.5625 4.6960 4.6960 5.4437 5.4437 5.5744 5.5744 7.1565 7.1565 8.3510 8.3510 10.1326 10.1326 10.3225 10.3225 k = 0.4559 0.2632 0.5066 ( 6770 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3054 -21.3054 -21.2918 -21.2918 -7.5760 -7.5760 -6.1288 -6.1288 -6.0048 -6.0048 -5.3596 -5.3596 -5.2204 -5.2204 -5.0888 -5.0888 -4.9894 -4.9894 -1.1761 -1.1761 2.1946 2.1946 2.4168 2.4168 3.6489 3.6489 4.2006 4.2006 4.5630 4.5630 4.7031 4.7031 5.4442 5.4442 5.5748 5.5748 7.1433 7.1433 8.3587 8.3587 10.1507 10.1507 10.2980 10.2980 k = 0.4706 0.2717 0.5066 ( 6772 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3051 -21.3051 -21.2920 -21.2920 -7.5769 -7.5769 -6.1293 -6.1293 -6.0050 -6.0050 -5.3607 -5.3607 -5.2200 -5.2200 -5.0888 -5.0888 -4.9881 -4.9881 -1.1749 -1.1749 2.1939 2.1939 2.4183 2.4183 3.6505 3.6505 4.2005 4.2005 4.5633 4.5633 4.7083 4.7083 5.4445 5.4445 5.5750 5.5750 7.1337 7.1337 8.3644 8.3644 10.1686 10.1686 10.2749 10.2749 k = 0.4853 0.2802 0.5066 ( 6770 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3050 -21.3050 -21.2921 -21.2921 -7.5774 -7.5774 -6.1296 -6.1296 -6.0050 -6.0050 -5.3613 -5.3613 -5.2198 -5.2198 -5.0889 -5.0889 -4.9874 -4.9874 -1.1742 -1.1742 2.1935 2.1935 2.4191 2.4191 3.6515 3.6515 4.2005 4.2005 4.5635 4.5635 4.7115 4.7115 5.4448 5.4448 5.5752 5.5752 7.1279 7.1279 8.3678 8.3678 10.1845 10.1845 10.2556 10.2556 k = 0.5000 0.2887 0.5066 ( 6776 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3049 -21.3049 -21.2922 -21.2922 -7.5776 -7.5776 -6.1297 -6.1297 -6.0051 -6.0051 -5.3615 -5.3615 -5.2197 -5.2197 -5.0889 -5.0889 -4.9871 -4.9871 -1.1739 -1.1739 2.1933 2.1933 2.4194 2.4194 3.6518 3.6518 4.2005 4.2005 4.5635 4.5635 4.7126 4.7126 5.4448 5.4448 5.5752 5.5752 7.1260 7.1260 8.3689 8.3689 10.1923 10.1923 10.2467 10.2467 k = 0.5000 0.2887 0.5066 ( 6776 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3049 -21.3049 -21.2922 -21.2922 -7.5776 -7.5776 -6.1297 -6.1297 -6.0051 -6.0051 -5.3615 -5.3615 -5.2197 -5.2197 -5.0889 -5.0889 -4.9871 -4.9871 -1.1739 -1.1739 2.1933 2.1933 2.4194 2.4194 3.6518 3.6518 4.2005 4.2005 4.5635 4.5635 4.7126 4.7126 5.4448 5.4448 5.5752 5.5752 7.1260 7.1260 8.3689 8.3689 10.1923 10.1923 10.2467 10.2467 k = 0.4917 0.3031 0.5066 ( 6772 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3049 -21.3049 -21.2922 -21.2922 -7.5776 -7.5776 -6.1296 -6.1296 -6.0052 -6.0052 -5.3615 -5.3615 -5.2196 -5.2196 -5.0889 -5.0889 -4.9872 -4.9872 -1.1738 -1.1738 2.1937 2.1937 2.4190 2.4190 3.6519 3.6519 4.2005 4.2005 4.5636 4.5636 4.7129 4.7129 5.4447 5.4447 5.5750 5.5750 7.1277 7.1277 8.3654 8.3654 10.1931 10.1931 10.2476 10.2476 k = 0.4833 0.3175 0.5066 ( 6776 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3048 -21.3048 -21.2922 -21.2922 -7.5777 -7.5777 -6.1296 -6.1296 -6.0058 -6.0058 -5.3613 -5.3613 -5.2190 -5.2190 -5.0890 -5.0890 -4.9874 -4.9874 -1.1735 -1.1735 2.1949 2.1949 2.4178 2.4178 3.6523 3.6523 4.2007 4.2007 4.5639 4.5639 4.7137 4.7137 5.4442 5.4442 5.5744 5.5744 7.1326 7.1326 8.3550 8.3550 10.1957 10.1957 10.2501 10.2501 k = 0.4750 0.3320 0.5066 ( 6780 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3047 -21.3047 -21.2923 -21.2923 -7.5779 -7.5779 -6.1294 -6.1294 -6.0067 -6.0067 -5.3610 -5.3610 -5.2182 -5.2182 -5.0892 -5.0892 -4.9877 -4.9877 -1.1730 -1.1730 2.1968 2.1968 2.4159 2.4159 3.6528 3.6528 4.2009 4.2009 4.5643 4.5643 4.7150 4.7150 5.4434 5.4434 5.5734 5.5734 7.1408 7.1408 8.3380 8.3380 10.1998 10.1998 10.2536 10.2536 k = 0.4667 0.3464 0.5066 ( 6786 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3046 -21.3046 -21.2924 -21.2924 -7.5782 -7.5782 -6.1292 -6.1292 -6.0079 -6.0079 -5.3607 -5.3607 -5.2170 -5.2170 -5.0895 -5.0895 -4.9882 -4.9882 -1.1722 -1.1722 2.1994 2.1994 2.4133 2.4133 3.6536 3.6536 4.2012 4.2012 4.5649 4.5649 4.7169 4.7169 5.4423 5.4423 5.5720 5.5720 7.1522 7.1522 8.3149 8.3149 10.2055 10.2055 10.2571 10.2571 k = 0.4583 0.3608 0.5066 ( 6790 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3044 -21.3044 -21.2926 -21.2926 -7.5786 -7.5786 -6.1289 -6.1289 -6.0094 -6.0094 -5.3604 -5.3604 -5.2155 -5.2155 -5.0898 -5.0898 -4.9887 -4.9887 -1.1713 -1.1713 2.2027 2.2027 2.4099 2.4099 3.6546 3.6546 4.2015 4.2015 4.5656 4.5656 4.7193 4.7193 5.4411 5.4411 5.5703 5.5703 7.1666 7.1666 8.2862 8.2862 10.2124 10.2124 10.2597 10.2597 k = 0.4500 0.3753 0.5066 ( 6790 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3042 -21.3042 -21.2928 -21.2928 -7.5790 -7.5790 -6.1286 -6.1286 -6.0112 -6.0112 -5.3600 -5.3600 -5.2136 -5.2136 -5.0903 -5.0903 -4.9894 -4.9894 -1.1702 -1.1702 2.2066 2.2066 2.4059 2.4059 3.6558 3.6558 4.2020 4.2020 4.5664 4.5664 4.7222 4.7222 5.4396 5.4396 5.5683 5.5683 7.1840 7.1840 8.2526 8.2526 10.2202 10.2202 10.2605 10.2605 k = 0.4417 0.3897 0.5066 ( 6784 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3040 -21.3040 -21.2930 -21.2930 -7.5795 -7.5795 -6.1282 -6.1282 -6.0132 -6.0132 -5.3597 -5.3597 -5.2115 -5.2115 -5.0908 -5.0908 -4.9901 -4.9901 -1.1690 -1.1690 2.2113 2.2113 2.4013 2.4013 3.6571 3.6571 4.2025 4.2025 4.5673 4.5673 4.7256 4.7256 5.4379 5.4379 5.5661 5.5661 7.2042 7.2042 8.2149 8.2149 10.2288 10.2288 10.2590 10.2590 k = 0.4333 0.4041 0.5066 ( 6784 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3037 -21.3037 -21.2932 -21.2932 -7.5800 -7.5800 -6.1278 -6.1278 -6.0154 -6.0154 -5.3594 -5.3594 -5.2090 -5.2090 -5.0915 -5.0915 -4.9908 -4.9908 -1.1677 -1.1677 2.2164 2.2164 2.3961 2.3961 3.6585 3.6585 4.2031 4.2031 4.5682 4.5682 4.7293 4.7293 5.4362 5.4362 5.5636 5.5636 7.2269 7.2269 8.1736 8.1736 10.2374 10.2374 10.2555 10.2555 k = 0.4250 0.4186 0.5066 ( 6780 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3034 -21.3034 -21.2935 -21.2935 -7.5805 -7.5805 -6.1274 -6.1274 -6.0176 -6.0176 -5.3593 -5.3593 -5.2063 -5.2063 -5.0922 -5.0922 -4.9916 -4.9916 -1.1662 -1.1662 2.2221 2.2221 2.3904 2.3904 3.6600 3.6600 4.2036 4.2036 4.5692 4.5692 4.7335 4.7335 5.4344 5.4344 5.5610 5.5610 7.2521 7.2521 8.1296 8.1296 10.2444 10.2444 10.2515 10.2515 k = 0.4167 0.4330 0.5066 ( 6784 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3031 -21.3031 -21.2938 -21.2938 -7.5811 -7.5811 -6.1269 -6.1269 -6.0199 -6.0199 -5.3592 -5.3592 -5.2033 -5.2033 -5.0930 -5.0930 -4.9923 -4.9923 -1.1648 -1.1648 2.2283 2.2283 2.3843 2.3843 3.6616 3.6616 4.2042 4.2042 4.5701 4.5701 4.7380 4.7380 5.4326 5.4326 5.5584 5.5584 7.2795 7.2795 8.0836 8.0836 10.2415 10.2415 10.2557 10.2557 k = 0.4083 0.4474 0.5066 ( 6788 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3027 -21.3027 -21.2941 -21.2941 -7.5817 -7.5817 -6.1264 -6.1264 -6.0222 -6.0222 -5.3592 -5.3592 -5.2003 -5.2003 -5.0940 -5.0940 -4.9931 -4.9931 -1.1633 -1.1633 2.2348 2.2348 2.3778 2.3778 3.6632 3.6632 4.2047 4.2047 4.5710 4.5710 4.7426 4.7426 5.4308 5.4308 5.5557 5.5557 7.3088 7.3088 8.0361 8.0361 10.2348 10.2348 10.2622 10.2622 k = 0.4000 0.4619 0.5066 ( 6792 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3023 -21.3023 -21.2945 -21.2945 -7.5823 -7.5823 -6.1260 -6.1260 -6.0245 -6.0245 -5.3593 -5.3593 -5.1972 -5.1972 -5.0950 -5.0950 -4.9937 -4.9937 -1.1618 -1.1618 2.2416 2.2416 2.3710 2.3710 3.6647 3.6647 4.2052 4.2052 4.5718 4.5718 4.7474 4.7474 5.4292 5.4292 5.5532 5.5532 7.3399 7.3399 7.9879 7.9879 10.2281 10.2281 10.2674 10.2674 k = 0.3917 0.4763 0.5066 ( 6792 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3019 -21.3019 -21.2949 -21.2949 -7.5829 -7.5829 -6.1255 -6.1255 -6.0266 -6.0266 -5.3595 -5.3595 -5.1941 -5.1941 -5.0960 -5.0960 -4.9943 -4.9943 -1.1604 -1.1604 2.2486 2.2486 2.3641 2.3641 3.6662 3.6662 4.2057 4.2057 4.5726 4.5726 4.7522 4.7522 5.4276 5.4276 5.5507 5.5507 7.3726 7.3726 7.9394 7.9394 10.2223 10.2223 10.2707 10.2707 k = 0.3833 0.4907 0.5066 ( 6788 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3015 -21.3015 -21.2953 -21.2953 -7.5835 -7.5835 -6.1251 -6.1251 -6.0286 -6.0286 -5.3597 -5.3597 -5.1911 -5.1911 -5.0971 -5.0971 -4.9947 -4.9947 -1.1591 -1.1591 2.2557 2.2557 2.3572 2.3572 3.6677 3.6677 4.2061 4.2061 4.5733 4.5733 4.7568 4.7568 5.4262 5.4262 5.5484 5.5484 7.4065 7.4065 7.8911 7.8911 10.2178 10.2178 10.2718 10.2718 k = 0.3750 0.5052 0.5066 ( 6800 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3010 -21.3010 -21.2957 -21.2957 -7.5840 -7.5840 -6.1247 -6.1247 -6.0303 -6.0303 -5.3600 -5.3600 -5.1884 -5.1884 -5.0981 -5.0981 -4.9951 -4.9951 -1.1579 -1.1579 2.2628 2.2628 2.3502 2.3502 3.6689 3.6689 4.2065 4.2065 4.5738 4.5738 4.7611 4.7611 5.4250 5.4250 5.5463 5.5463 7.4415 7.4415 7.8437 7.8437 10.2150 10.2150 10.2706 10.2706 k = 0.3667 0.5196 0.5066 ( 6796 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3005 -21.3005 -21.2962 -21.2962 -7.5845 -7.5845 -6.1244 -6.1244 -6.0318 -6.0318 -5.3603 -5.3603 -5.1860 -5.1860 -5.0991 -5.0991 -4.9954 -4.9954 -1.1569 -1.1569 2.2696 2.2696 2.3435 2.3435 3.6701 3.6701 4.2068 4.2068 4.5743 4.5743 4.7651 4.7651 5.4240 5.4240 5.5445 5.5445 7.4772 7.4772 7.7975 7.7975 10.2142 10.2142 10.2671 10.2671 k = 0.3583 0.5340 0.5066 ( 6788 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3000 -21.3000 -21.2967 -21.2967 -7.5849 -7.5849 -6.1241 -6.1241 -6.0330 -6.0330 -5.3606 -5.3606 -5.1840 -5.1840 -5.0999 -5.0999 -4.9956 -4.9956 -1.1560 -1.1560 2.2759 2.2759 2.3373 2.3373 3.6710 3.6710 4.2071 4.2071 4.5747 4.5747 4.7684 4.7684 5.4232 5.4232 5.5431 5.5431 7.5133 7.5133 7.7530 7.7530 10.2157 10.2157 10.2616 10.2616 k = 0.3500 0.5485 0.5066 ( 6792 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2994 -21.2994 -21.2972 -21.2972 -7.5852 -7.5852 -6.1239 -6.1239 -6.0339 -6.0339 -5.3608 -5.3608 -5.1825 -5.1825 -5.1005 -5.1005 -4.9957 -4.9957 -1.1554 -1.1554 2.2813 2.2813 2.3321 2.3321 3.6717 3.6717 4.2072 4.2072 4.5749 4.5749 4.7709 4.7709 5.4227 5.4227 5.5421 5.5421 7.5492 7.5492 7.7111 7.7111 10.2196 10.2196 10.2543 10.2543 k = 0.3417 0.5629 0.5066 ( 6792 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2989 -21.2989 -21.2978 -21.2978 -7.5854 -7.5854 -6.1238 -6.1238 -6.0344 -6.0344 -5.3610 -5.3610 -5.1816 -5.1816 -5.1009 -5.1009 -4.9957 -4.9957 -1.1550 -1.1550 2.2850 2.2850 2.3284 2.3284 3.6722 3.6722 4.2073 4.2073 4.5751 4.5751 4.7726 4.7726 5.4224 5.4224 5.5415 5.5415 7.5832 7.5832 7.6735 7.6735 10.2258 10.2258 10.2458 10.2458 k = 0.3333 0.5774 0.5066 ( 6804 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2983 -21.2983 -21.2983 -21.2983 -7.5855 -7.5855 -6.1238 -6.1238 -6.0346 -6.0346 -5.3610 -5.3610 -5.1813 -5.1813 -5.1010 -5.1010 -4.9957 -4.9957 -1.1548 -1.1548 2.2863 2.2863 2.3271 2.3271 3.6723 3.6723 4.2073 4.2073 4.5751 4.5751 4.7731 4.7731 5.4222 5.4222 5.5413 5.5413 7.6033 7.6033 7.6522 7.6522 10.2320 10.2320 10.2388 10.2388 k = 0.3333 0.5774 0.5066 ( 6804 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2983 -21.2983 -21.2983 -21.2983 -7.5855 -7.5855 -6.1238 -6.1238 -6.0346 -6.0346 -5.3610 -5.3610 -5.1813 -5.1813 -5.1010 -5.1010 -4.9957 -4.9957 -1.1548 -1.1548 2.2863 2.2863 2.3271 2.3271 3.6723 3.6723 4.2073 4.2073 4.5751 4.5751 4.7731 4.7731 5.4222 5.4222 5.5413 5.5413 7.6033 7.6033 7.6522 7.6522 10.2320 10.2320 10.2388 10.2388 k = 0.3250 0.5629 0.5066 ( 6796 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2989 -21.2989 -21.2977 -21.2977 -7.5854 -7.5854 -6.1238 -6.1238 -6.0344 -6.0344 -5.3610 -5.3610 -5.1816 -5.1816 -5.1009 -5.1009 -4.9957 -4.9957 -1.1550 -1.1550 2.2851 2.2851 2.3283 2.3283 3.6721 3.6721 4.2073 4.2073 4.5751 4.5751 4.7725 4.7725 5.4223 5.4223 5.5415 5.5415 7.5844 7.5844 7.6722 7.6722 10.2243 10.2243 10.2474 10.2474 k = 0.3167 0.5485 0.5066 ( 6784 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2995 -21.2995 -21.2971 -21.2971 -7.5851 -7.5851 -6.1239 -6.1239 -6.0339 -6.0339 -5.3608 -5.3608 -5.1825 -5.1825 -5.1005 -5.1005 -4.9958 -4.9958 -1.1554 -1.1554 2.2818 2.2818 2.3315 2.3315 3.6716 3.6716 4.2072 4.2072 4.5750 4.5750 4.7706 4.7706 5.4227 5.4227 5.5421 5.5421 7.5549 7.5549 7.7054 7.7054 10.2136 10.2136 10.2610 10.2610 k = 0.3083 0.5340 0.5066 ( 6788 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3001 -21.3001 -21.2965 -21.2965 -7.5848 -7.5848 -6.1240 -6.1240 -6.0331 -6.0331 -5.3604 -5.3604 -5.1839 -5.1839 -5.0999 -5.0999 -4.9959 -4.9959 -1.1562 -1.1562 2.2773 2.2773 2.3357 2.3357 3.6708 3.6708 4.2071 4.2071 4.5747 4.5747 4.7673 4.7673 5.4231 5.4231 5.5430 5.5430 7.5264 7.5264 7.7401 7.7401 10.2025 10.2025 10.2769 10.2769 k = 0.3000 0.5196 0.5066 ( 6804 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3008 -21.3008 -21.2959 -21.2959 -7.5842 -7.5842 -6.1241 -6.1241 -6.0320 -6.0320 -5.3598 -5.3598 -5.1858 -5.1858 -5.0992 -5.0992 -4.9961 -4.9961 -1.1573 -1.1573 2.2724 2.2724 2.3403 2.3403 3.6695 3.6695 4.2069 4.2069 4.5744 4.5744 4.7626 4.7626 5.4237 5.4237 5.5443 5.5443 7.5006 7.5006 7.7744 7.7744 10.1914 10.1914 10.2945 10.2945 k = 0.2917 0.5052 0.5066 ( 6812 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3014 -21.3014 -21.2953 -21.2953 -7.5834 -7.5834 -6.1242 -6.1242 -6.0306 -6.0306 -5.3591 -5.3591 -5.1880 -5.1880 -5.0983 -5.0983 -4.9964 -4.9964 -1.1587 -1.1587 2.2673 2.2673 2.3449 2.3449 3.6678 3.6678 4.2067 4.2067 4.5739 4.5739 4.7564 4.7564 5.4244 5.4244 5.5458 5.5458 7.4779 7.4779 7.8078 7.8078 10.1804 10.1804 10.3133 10.3133 k = 0.2833 0.4907 0.5066 ( 6812 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3021 -21.3021 -21.2947 -21.2947 -7.5824 -7.5824 -6.1243 -6.1243 -6.0290 -6.0290 -5.3581 -5.3581 -5.1906 -5.1906 -5.0974 -5.0974 -4.9970 -4.9970 -1.1605 -1.1605 2.2624 2.2624 2.3493 2.3493 3.6658 3.6658 4.2064 4.2064 4.5734 4.5734 4.7488 4.7488 5.4253 5.4253 5.5476 5.5476 7.4586 7.4586 7.8401 7.8401 10.1696 10.1696 10.3325 10.3325 k = 0.2750 0.4763 0.5066 ( 6800 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3028 -21.3028 -21.2941 -21.2941 -7.5812 -7.5812 -6.1243 -6.1243 -6.0272 -6.0272 -5.3569 -5.3569 -5.1934 -5.1934 -5.0964 -5.0964 -4.9977 -4.9977 -1.1626 -1.1626 2.2576 2.2576 2.3534 2.3534 3.6633 3.6633 4.2062 4.2062 4.5729 4.5729 4.7399 4.7399 5.4262 5.4262 5.5495 5.5495 7.4428 7.4428 7.8708 7.8708 10.1589 10.1589 10.3507 10.3507 k = 0.2667 0.4619 0.5066 ( 6800 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3034 -21.3034 -21.2935 -21.2935 -7.5798 -7.5798 -6.1242 -6.1242 -6.0253 -6.0253 -5.3555 -5.3555 -5.1963 -5.1963 -5.0954 -5.0954 -4.9987 -4.9987 -1.1650 -1.1650 2.2532 2.2532 2.3569 2.3569 3.6603 3.6603 4.2059 4.2059 4.5722 4.5722 4.7296 4.7296 5.4272 5.4272 5.5515 5.5515 7.4305 7.4305 7.8999 7.8999 10.1482 10.1482 10.3666 10.3666 k = 0.2583 0.4474 0.5066 ( 6800 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3041 -21.3041 -21.2929 -21.2929 -7.5781 -7.5781 -6.1240 -6.1240 -6.0233 -6.0233 -5.3538 -5.3538 -5.1994 -5.1994 -5.0945 -5.0945 -5.0000 -5.0000 -1.1678 -1.1678 2.2491 2.2491 2.3600 2.3600 3.6570 3.6570 4.2057 4.2057 4.5714 4.5714 4.7180 4.7180 5.4282 5.4282 5.5534 5.5534 7.4217 7.4217 7.9270 7.9270 10.1373 10.1373 10.3786 10.3786 k = 0.2500 0.4330 0.5066 ( 6796 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3048 -21.3048 -21.2923 -21.2923 -7.5762 -7.5762 -6.1236 -6.1236 -6.0213 -6.0213 -5.3519 -5.3519 -5.2025 -5.2025 -5.0937 -5.0937 -5.0015 -5.0015 -1.1709 -1.1709 2.2454 2.2454 2.3624 2.3624 3.6532 3.6532 4.2054 4.2054 4.5706 4.5706 4.7053 4.7053 5.4291 5.4291 5.5554 5.5554 7.4164 7.4164 7.9521 7.9521 10.1258 10.1258 10.3856 10.3856 k = 0.2417 0.4186 0.5066 ( 6790 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3055 -21.3055 -21.2917 -21.2917 -7.5741 -7.5741 -6.1231 -6.1231 -6.0193 -6.0193 -5.3497 -5.3497 -5.2056 -5.2056 -5.0930 -5.0930 -5.0034 -5.0034 -1.1743 -1.1743 2.2421 2.2421 2.3643 2.3643 3.6489 3.6489 4.2052 4.2052 4.5696 4.5696 4.6917 4.6917 5.4300 5.4300 5.5573 5.5573 7.4144 7.4144 7.9749 7.9749 10.1132 10.1132 10.3871 10.3871 k = 0.2333 0.4041 0.5066 ( 6792 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3062 -21.3062 -21.2911 -21.2911 -7.5718 -7.5718 -6.1224 -6.1224 -6.0173 -6.0173 -5.3472 -5.3472 -5.2086 -5.2086 -5.0924 -5.0924 -5.0056 -5.0056 -1.1780 -1.1780 2.2393 2.2393 2.3656 2.3656 3.6442 3.6442 4.2050 4.2050 4.5685 4.5685 4.6772 4.6772 5.4308 5.4308 5.5590 5.5590 7.4157 7.4157 7.9954 7.9954 10.0990 10.0990 10.3837 10.3837 k = 0.2250 0.3897 0.5066 ( 6784 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3069 -21.3069 -21.2905 -21.2905 -7.5692 -7.5692 -6.1215 -6.1215 -6.0154 -6.0154 -5.3445 -5.3445 -5.2115 -5.2115 -5.0919 -5.0919 -5.0081 -5.0081 -1.1819 -1.1819 2.2369 2.2369 2.3663 2.3663 3.6391 3.6391 4.2049 4.2049 4.5673 4.5673 4.6620 4.6620 5.4316 5.4316 5.5606 5.5606 7.4200 7.4200 8.0133 8.0133 10.0824 10.0824 10.3763 10.3763 k = 0.2167 0.3753 0.5066 ( 6784 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3076 -21.3076 -21.2899 -21.2899 -7.5664 -7.5664 -6.1204 -6.1204 -6.0135 -6.0135 -5.3415 -5.3415 -5.2143 -5.2143 -5.0917 -5.0917 -5.0109 -5.0109 -1.1861 -1.1861 2.2350 2.2350 2.3664 2.3664 3.6335 3.6335 4.2048 4.2048 4.5658 4.5658 4.6464 4.6464 5.4322 5.4322 5.5620 5.5620 7.4273 7.4273 8.0286 8.0286 10.0628 10.0628 10.3659 10.3659 k = 0.2083 0.3608 0.5066 ( 6796 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3083 -21.3083 -21.2893 -21.2893 -7.5634 -7.5634 -6.1191 -6.1191 -6.0119 -6.0119 -5.3382 -5.3382 -5.2169 -5.2169 -5.0916 -5.0916 -5.0140 -5.0140 -1.1906 -1.1906 2.2335 2.2335 2.3659 2.3659 3.6276 3.6276 4.2046 4.2046 4.5639 4.5639 4.6306 4.6306 5.4328 5.4328 5.5632 5.5632 7.4374 7.4374 8.0413 8.0413 10.0396 10.0396 10.3536 10.3536 k = 0.2000 0.3464 0.5066 ( 6792 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3090 -21.3090 -21.2888 -21.2888 -7.5603 -7.5603 -6.1177 -6.1177 -6.0104 -6.0104 -5.3347 -5.3347 -5.2193 -5.2193 -5.0918 -5.0918 -5.0174 -5.0174 -1.1952 -1.1952 2.2325 2.2325 2.3648 2.3648 3.6213 3.6213 4.2046 4.2046 4.5614 4.5614 4.6151 4.6151 5.4332 5.4332 5.5643 5.5643 7.4499 7.4499 8.0514 8.0514 10.0124 10.0124 10.3399 10.3399 k = 0.1917 0.3320 0.5066 ( 6788 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3097 -21.3097 -21.2882 -21.2882 -7.5569 -7.5569 -6.1160 -6.1160 -6.0090 -6.0090 -5.3309 -5.3309 -5.2215 -5.2215 -5.0921 -5.0921 -5.0211 -5.0211 -1.2000 -1.2000 2.2319 2.2319 2.3632 2.3632 3.6146 3.6146 4.2046 4.2046 4.5576 4.5576 4.6007 4.6007 5.4336 5.4336 5.5652 5.5652 7.4649 7.4649 8.0588 8.0588 9.9812 9.9812 10.3255 10.3255 k = 0.1833 0.3175 0.5066 ( 6786 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3104 -21.3104 -21.2877 -21.2877 -7.5534 -7.5534 -6.1142 -6.1142 -6.0079 -6.0079 -5.3268 -5.3268 -5.2235 -5.2235 -5.0928 -5.0928 -5.0251 -5.0251 -1.2050 -1.2050 2.2317 2.2317 2.3611 2.3611 3.6077 3.6077 4.2047 4.2047 4.5515 4.5515 4.5886 4.5886 5.4339 5.4339 5.5659 5.5659 7.4819 7.4819 8.0636 8.0636 9.9462 9.9462 10.3106 10.3106 k = 0.1750 0.3031 0.5066 ( 6794 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3110 -21.3110 -21.2872 -21.2872 -7.5498 -7.5498 -6.1121 -6.1121 -6.0070 -6.0070 -5.3225 -5.3225 -5.2253 -5.2253 -5.0938 -5.0938 -5.0292 -5.0292 -1.2100 -1.2100 2.2319 2.2319 2.3585 2.3585 3.6004 3.6004 4.2047 4.2047 4.5419 4.5419 4.5799 4.5799 5.4342 5.4342 5.5666 5.5666 7.5007 7.5007 8.0659 8.0659 9.9081 9.9081 10.2954 10.2954 k = 0.1667 0.2887 0.5066 ( 6790 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3117 -21.3117 -21.2867 -21.2867 -7.5460 -7.5460 -6.1099 -6.1099 -6.0063 -6.0063 -5.3179 -5.3179 -5.2267 -5.2267 -5.0950 -5.0950 -5.0335 -5.0335 -1.2151 -1.2151 2.2324 2.2324 2.3556 2.3556 3.5929 3.5929 4.2049 4.2049 4.5292 4.5292 4.5746 4.5746 5.4344 5.4344 5.5671 5.5671 7.5213 7.5213 8.0659 8.0659 9.8673 9.8673 10.2800 10.2800 k = 0.1583 0.2742 0.5066 ( 6788 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3123 -21.3123 -21.2862 -21.2862 -7.5421 -7.5421 -6.1075 -6.1075 -6.0058 -6.0058 -5.3131 -5.3131 -5.2280 -5.2280 -5.0966 -5.0966 -5.0380 -5.0380 -1.2203 -1.2203 2.2333 2.2333 2.3523 2.3523 3.5851 3.5851 4.2051 4.2051 4.5147 4.5147 4.5714 4.5714 5.4345 5.4345 5.5675 5.5675 7.5432 7.5432 8.0636 8.0636 9.8248 9.8248 10.2646 10.2646 k = 0.1500 0.2598 0.5066 ( 6792 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3129 -21.3129 -21.2858 -21.2858 -7.5382 -7.5382 -6.1050 -6.1050 -6.0055 -6.0055 -5.3081 -5.3081 -5.2289 -5.2289 -5.0986 -5.0986 -5.0425 -5.0425 -1.2255 -1.2255 2.2344 2.2344 2.3488 2.3488 3.5773 3.5773 4.2053 4.2053 4.4996 4.4996 4.5692 4.5692 5.4346 5.4346 5.5678 5.5678 7.5663 7.5663 8.0594 8.0594 9.7812 9.7812 10.2491 10.2491 k = 0.1417 0.2454 0.5066 ( 6778 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3135 -21.3135 -21.2854 -21.2854 -7.5343 -7.5343 -6.1024 -6.1024 -6.0055 -6.0055 -5.3029 -5.3029 -5.2296 -5.2296 -5.1009 -5.1009 -5.0471 -5.0471 -1.2307 -1.2307 2.2358 2.2358 2.3451 2.3451 3.5693 3.5693 4.2056 4.2056 4.4845 4.4845 4.5676 4.5676 5.4347 5.4347 5.5682 5.5682 7.5904 7.5904 8.0533 8.0533 9.7373 9.7373 10.2336 10.2336 k = 0.1333 0.2309 0.5066 ( 6770 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3141 -21.3141 -21.2850 -21.2850 -7.5303 -7.5303 -6.0997 -6.0997 -6.0057 -6.0057 -5.2975 -5.2975 -5.2300 -5.2300 -5.1036 -5.1036 -5.0517 -5.0517 -1.2358 -1.2358 2.2374 2.2374 2.3412 2.3412 3.5613 3.5613 4.2059 4.2059 4.4696 4.4696 4.5664 4.5664 5.4348 5.4348 5.5685 5.5685 7.6151 7.6151 8.0457 8.0457 9.6936 9.6936 10.2180 10.2180 k = 0.1250 0.2165 0.5066 ( 6774 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3146 -21.3146 -21.2846 -21.2846 -7.5264 -7.5264 -6.0968 -6.0968 -6.0061 -6.0061 -5.2919 -5.2919 -5.2301 -5.2301 -5.1067 -5.1067 -5.0562 -5.0562 -1.2408 -1.2408 2.2390 2.2390 2.3373 2.3373 3.5533 3.5533 4.2062 4.2062 4.4552 4.4552 4.5653 4.5653 5.4348 5.4348 5.5687 5.5687 7.6402 7.6402 8.0369 8.0369 9.6508 9.6508 10.2023 10.2023 k = 0.1167 0.2021 0.5066 ( 6774 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3152 -21.3152 -21.2842 -21.2842 -7.5225 -7.5225 -6.0939 -6.0939 -6.0067 -6.0067 -5.2862 -5.2862 -5.2300 -5.2300 -5.1103 -5.1103 -5.0606 -5.0606 -1.2457 -1.2457 2.2407 2.2407 2.3335 2.3335 3.5453 3.5453 4.2065 4.2065 4.4414 4.4414 4.5644 4.5644 5.4349 5.4349 5.5689 5.5689 7.6656 7.6656 8.0270 8.0270 9.6092 9.6092 10.1865 10.1865 k = 0.1083 0.1876 0.5066 ( 6792 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3157 -21.3157 -21.2839 -21.2839 -7.5187 -7.5187 -6.0910 -6.0910 -6.0075 -6.0075 -5.2804 -5.2804 -5.2297 -5.2297 -5.1143 -5.1143 -5.0649 -5.0649 -1.2504 -1.2504 2.2423 2.2423 2.3298 2.3298 3.5375 3.5375 4.2067 4.2067 4.4282 4.4282 4.5636 4.5636 5.4350 5.4350 5.5691 5.5691 7.6908 7.6908 8.0165 8.0165 9.5694 9.5694 10.1706 10.1706 k = 0.1000 0.1732 0.5066 ( 6790 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3161 -21.3161 -21.2835 -21.2835 -7.5150 -7.5150 -6.0880 -6.0880 -6.0084 -6.0084 -5.2745 -5.2745 -5.2291 -5.2291 -5.1186 -5.1186 -5.0690 -5.0690 -1.2550 -1.2550 2.2439 2.2439 2.3263 2.3263 3.5299 3.5299 4.2071 4.2071 4.4159 4.4159 4.5630 4.5630 5.4350 5.4350 5.5693 5.5693 7.7155 7.7155 8.0055 8.0055 9.5315 9.5315 10.1548 10.1548 k = 0.0917 0.1588 0.5066 ( 6798 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3166 -21.3166 -21.2833 -21.2833 -7.5115 -7.5115 -6.0850 -6.0850 -6.0095 -6.0095 -5.2685 -5.2685 -5.2283 -5.2283 -5.1233 -5.1233 -5.0729 -5.0729 -1.2593 -1.2593 2.2453 2.2453 2.3231 2.3231 3.5226 3.5226 4.2073 4.2073 4.4044 4.4044 4.5624 4.5624 5.4351 5.4351 5.5694 5.5694 7.7396 7.7396 7.9945 7.9945 9.4959 9.4959 10.1390 10.1390 k = 0.0833 0.1443 0.5066 ( 6800 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3170 -21.3170 -21.2830 -21.2830 -7.5082 -7.5082 -6.0821 -6.0821 -6.0107 -6.0107 -5.2625 -5.2625 -5.2273 -5.2273 -5.1284 -5.1284 -5.0765 -5.0765 -1.2633 -1.2633 2.2465 2.2465 2.3203 2.3203 3.5156 3.5156 4.2076 4.2076 4.3939 4.3939 4.5619 4.5619 5.4352 5.4352 5.5696 5.5696 7.7626 7.7626 7.9838 7.9838 9.4628 9.4628 10.1235 10.1235 k = 0.0750 0.1299 0.5066 ( 6800 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3173 -21.3173 -21.2827 -21.2827 -7.5050 -7.5050 -6.0792 -6.0792 -6.0120 -6.0120 -5.2565 -5.2565 -5.2261 -5.2261 -5.1337 -5.1337 -5.0799 -5.0799 -1.2671 -1.2671 2.2474 2.2474 2.3179 2.3179 3.5090 3.5090 4.2079 4.2079 4.3842 4.3842 4.5615 4.5615 5.4353 5.4353 5.5698 5.5698 7.7841 7.7841 7.9737 7.9737 9.4324 9.4324 10.1083 10.1083 k = 0.0667 0.1155 0.5066 ( 6810 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3177 -21.3177 -21.2825 -21.2825 -7.5022 -7.5022 -6.0764 -6.0764 -6.0134 -6.0134 -5.2506 -5.2506 -5.2247 -5.2247 -5.1393 -5.1393 -5.0831 -5.0831 -1.2705 -1.2705 2.2480 2.2480 2.3160 2.3160 3.5029 3.5029 4.2081 4.2081 4.3755 4.3755 4.5611 4.5611 5.4354 5.4354 5.5700 5.5700 7.8038 7.8038 7.9646 7.9646 9.4049 9.4049 10.0936 10.0936 k = 0.0583 0.1010 0.5066 ( 6798 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3179 -21.3179 -21.2823 -21.2823 -7.4995 -7.4995 -6.0738 -6.0738 -6.0148 -6.0148 -5.2450 -5.2450 -5.2229 -5.2229 -5.1451 -5.1451 -5.0860 -5.0860 -1.2736 -1.2736 2.2484 2.2484 2.3145 2.3145 3.4974 3.4974 4.2084 4.2084 4.3678 4.3678 4.5609 4.5609 5.4355 5.4355 5.5702 5.5702 7.8211 7.8211 7.9569 7.9569 9.3804 9.3804 10.0798 10.0798 k = 0.0500 0.0866 0.5066 ( 6788 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3182 -21.3182 -21.2822 -21.2822 -7.4972 -7.4972 -6.0713 -6.0713 -6.0163 -6.0163 -5.2398 -5.2398 -5.2207 -5.2207 -5.1510 -5.1510 -5.0886 -5.0886 -1.2763 -1.2763 2.2485 2.2485 2.3134 2.3134 3.4924 3.4924 4.2086 4.2086 4.3611 4.3611 4.5606 4.5606 5.4357 5.4357 5.5704 5.5704 7.8356 7.8356 7.9510 7.9510 9.3590 9.3590 10.0670 10.0670 k = 0.0417 0.0722 0.5066 ( 6788 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3184 -21.3184 -21.2820 -21.2820 -7.4952 -7.4952 -6.0690 -6.0690 -6.0176 -6.0176 -5.2354 -5.2354 -5.2178 -5.2178 -5.1570 -5.1570 -5.0908 -5.0908 -1.2787 -1.2787 2.2484 2.2484 2.3127 2.3127 3.4881 3.4881 4.2088 4.2088 4.3554 4.3554 4.5604 4.5604 5.4358 5.4358 5.5706 5.5706 7.8469 7.8469 7.9472 7.9472 9.3408 9.3408 10.0556 10.0556 k = 0.0333 0.0577 0.5066 ( 6800 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3186 -21.3186 -21.2819 -21.2819 -7.4936 -7.4936 -6.0670 -6.0670 -6.0189 -6.0189 -5.2319 -5.2319 -5.2141 -5.2141 -5.1631 -5.1631 -5.0927 -5.0927 -1.2806 -1.2806 2.2482 2.2482 2.3122 2.3122 3.4845 3.4845 4.2089 4.2089 4.3507 4.3507 4.5603 4.5603 5.4359 5.4359 5.5707 5.5707 7.8549 7.8549 7.9455 7.9455 9.3257 9.3257 10.0458 10.0458 k = 0.0250 0.0433 0.5066 ( 6800 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3187 -21.3187 -21.2818 -21.2818 -7.4922 -7.4922 -6.0654 -6.0654 -6.0199 -6.0199 -5.2296 -5.2296 -5.2097 -5.2097 -5.1690 -5.1690 -5.0942 -5.0942 -1.2821 -1.2821 2.2480 2.2480 2.3120 2.3120 3.4817 3.4817 4.2090 4.2090 4.3471 4.3471 4.5601 4.5601 5.4359 5.4359 5.5708 5.5708 7.8599 7.8599 7.9455 7.9455 9.3140 9.3140 10.0379 10.0379 k = 0.0167 0.0289 0.5066 ( 6808 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3189 -21.3189 -21.2818 -21.2818 -7.4913 -7.4913 -6.0641 -6.0641 -6.0208 -6.0208 -5.2280 -5.2280 -5.2049 -5.2049 -5.1746 -5.1746 -5.0953 -5.0953 -1.2832 -1.2832 2.2477 2.2477 2.3118 2.3118 3.4796 3.4796 4.2091 4.2091 4.3445 4.3445 4.5600 4.5600 5.4360 5.4360 5.5709 5.5709 7.8626 7.8626 7.9464 7.9464 9.3056 9.3056 10.0320 10.0320 k = 0.0083 0.0144 0.5066 ( 6816 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3189 -21.3189 -21.2817 -21.2817 -7.4907 -7.4907 -6.0634 -6.0634 -6.0213 -6.0213 -5.2272 -5.2272 -5.2007 -5.2007 -5.1793 -5.1793 -5.0960 -5.0960 -1.2839 -1.2839 2.2475 2.2475 2.3117 2.3117 3.4783 3.4783 4.2091 4.2091 4.3429 4.3429 4.5600 4.5600 5.4360 5.4360 5.5709 5.5709 7.8638 7.8638 7.9474 7.9474 9.3006 9.3006 10.0284 10.0284 k = 0.0000 0.0000 0.5066 ( 6816 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3189 -21.3189 -21.2817 -21.2817 -7.4905 -7.4905 -6.0631 -6.0631 -6.0215 -6.0215 -5.2270 -5.2270 -5.1987 -5.1987 -5.1814 -5.1814 -5.0962 -5.0962 -1.2841 -1.2841 2.2475 2.2475 2.3117 2.3117 3.4779 3.4779 4.2091 4.2091 4.3423 4.3423 4.5600 4.5600 5.4360 5.4360 5.5709 5.5709 7.8642 7.8642 7.9478 7.9478 9.2989 9.2989 10.0272 10.0272 k = 0.5000 0.2887 0.5066 ( 6776 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3049 -21.3049 -21.2922 -21.2922 -7.5776 -7.5776 -6.1297 -6.1297 -6.0051 -6.0051 -5.3615 -5.3615 -5.2197 -5.2197 -5.0889 -5.0889 -4.9871 -4.9871 -1.1739 -1.1739 2.1933 2.1933 2.4194 2.4194 3.6518 3.6518 4.2005 4.2005 4.5635 4.5635 4.7126 4.7126 5.4448 5.4448 5.5752 5.5752 7.1260 7.1260 8.3689 8.3689 10.1923 10.1923 10.2467 10.2467 k = 0.5000 0.2887 0.4897 ( 6770 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3049 -21.3049 -21.2921 -21.2921 -7.5779 -7.5779 -6.1296 -6.1296 -6.0049 -6.0049 -5.3615 -5.3615 -5.2196 -5.2196 -5.0889 -5.0889 -4.9872 -4.9872 -1.1714 -1.1714 2.1945 2.1945 2.4206 2.4206 3.6456 3.6456 4.2004 4.2004 4.5636 4.5636 4.7141 4.7141 5.4395 5.4395 5.5692 5.5692 7.1321 7.1321 8.3735 8.3735 10.1598 10.1598 10.2727 10.2727 k = 0.5000 0.2887 0.4728 ( 6778 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3050 -21.3050 -21.2921 -21.2921 -7.5789 -7.5789 -6.1295 -6.1295 -6.0045 -6.0045 -5.3614 -5.3614 -5.2193 -5.2193 -5.0890 -5.0890 -4.9875 -4.9875 -1.1639 -1.1639 2.1979 2.1979 2.4243 2.4243 3.6270 3.6270 4.2001 4.2001 4.5638 4.5638 4.7186 4.7186 5.4237 5.4237 5.5514 5.5514 7.1500 7.1500 8.3870 8.3870 10.1044 10.1044 10.3090 10.3090 k = 0.5000 0.2887 0.4559 ( 6774 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3051 -21.3051 -21.2920 -21.2920 -7.5806 -7.5806 -6.1293 -6.1293 -6.0037 -6.0037 -5.3612 -5.3612 -5.2188 -5.2188 -5.0891 -5.0891 -4.9879 -4.9879 -1.1513 -1.1513 2.2036 2.2036 2.4305 2.4305 3.5967 3.5967 4.1996 4.1996 4.5640 4.5640 4.7258 4.7258 5.3978 5.3978 5.5231 5.5231 7.1785 7.1785 8.4093 8.4093 10.0415 10.0415 10.3399 10.3399 k = 0.5000 0.2887 0.4390 ( 6784 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3053 -21.3053 -21.2918 -21.2918 -7.5830 -7.5830 -6.1290 -6.1290 -6.0027 -6.0027 -5.3610 -5.3610 -5.2181 -5.2181 -5.0894 -5.0894 -4.9886 -4.9886 -1.1338 -1.1338 2.2116 2.2116 2.4391 2.4391 3.5553 3.5553 4.1989 4.1989 4.5642 4.5642 4.7347 4.7347 5.3624 5.3624 5.4854 5.4854 7.2161 7.2161 8.4397 8.4397 9.9737 9.9737 10.3609 10.3609 k = 0.5000 0.2887 0.4221 ( 6784 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3055 -21.3055 -21.2917 -21.2917 -7.5859 -7.5859 -6.1287 -6.1287 -6.0014 -6.0014 -5.3607 -5.3607 -5.2172 -5.2172 -5.0896 -5.0896 -4.9894 -4.9894 -1.1113 -1.1113 2.2219 2.2219 2.4502 2.4502 3.5039 3.5039 4.1981 4.1981 4.5644 4.5644 4.7449 4.7449 5.3186 5.3186 5.4402 5.4402 7.2609 7.2609 8.4777 8.4777 9.9026 9.9026 10.3656 10.3656 k = 0.5000 0.2887 0.4052 ( 6788 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3058 -21.3058 -21.2914 -21.2914 -7.5894 -7.5894 -6.1283 -6.1283 -5.9998 -5.9998 -5.3603 -5.3603 -5.2161 -5.2161 -5.0900 -5.0900 -4.9904 -4.9904 -1.0840 -1.0840 2.2344 2.2344 2.4637 2.4637 3.4433 3.4433 4.1969 4.1969 4.5644 4.5644 4.7551 4.7551 5.2675 5.2675 5.3888 5.3888 7.3111 7.3111 8.5224 8.5224 9.8293 9.8293 10.3535 10.3535 k = 0.5000 0.2887 0.3884 ( 6784 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3060 -21.3060 -21.2912 -21.2912 -7.5935 -7.5935 -6.1278 -6.1278 -5.9980 -5.9980 -5.3598 -5.3598 -5.2148 -5.2148 -5.0905 -5.0905 -4.9915 -4.9915 -1.0518 -1.0518 2.2491 2.2491 2.4796 2.4796 3.3745 3.3745 4.1956 4.1956 4.5642 4.5642 4.7644 4.7644 5.2111 5.2111 5.3324 5.3324 7.3648 7.3648 8.5730 8.5730 9.7550 9.7550 10.3331 10.3331 k = 0.5000 0.2887 0.3715 ( 6788 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3064 -21.3064 -21.2910 -21.2910 -7.5980 -7.5980 -6.1273 -6.1273 -5.9960 -5.9960 -5.3592 -5.3592 -5.2133 -5.2133 -5.0911 -5.0911 -4.9927 -4.9927 -1.0148 -1.0148 2.2660 2.2660 2.4980 2.4980 3.2983 3.2983 4.1939 4.1939 4.5639 4.5639 4.7710 4.7710 5.1516 5.1516 5.2719 5.2719 7.4203 7.4203 8.6288 8.6288 9.6808 9.6808 10.3112 10.3112 k = 0.5000 0.2887 0.3546 ( 6788 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3067 -21.3067 -21.2907 -21.2907 -7.6030 -7.6030 -6.1267 -6.1267 -5.9937 -5.9937 -5.3586 -5.3586 -5.2117 -5.2117 -5.0919 -5.0919 -4.9940 -4.9940 -0.9731 -0.9731 2.2850 2.2850 2.5187 2.5187 3.2156 3.2156 4.1919 4.1919 4.5634 4.5634 4.7726 4.7726 5.0920 5.0920 5.2084 5.2084 7.4763 7.4763 8.6887 8.6887 9.6073 9.6073 10.2910 10.2910 k = 0.5000 0.2887 0.3377 ( 6778 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3070 -21.3070 -21.2904 -21.2904 -7.6083 -7.6083 -6.1261 -6.1261 -5.9912 -5.9912 -5.3578 -5.3578 -5.2099 -5.2099 -5.0928 -5.0928 -4.9955 -4.9955 -0.9268 -0.9268 2.3061 2.3061 2.5418 2.5418 3.1272 3.1272 4.1895 4.1895 4.5627 4.5627 4.7653 4.7653 5.0364 5.0364 5.1431 5.1431 7.5314 7.5314 8.7522 8.7522 9.5354 9.5354 10.2739 10.2739 k = 0.5000 0.2887 0.3208 ( 6770 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3074 -21.3074 -21.2901 -21.2901 -7.6139 -7.6139 -6.1255 -6.1255 -5.9886 -5.9886 -5.3570 -5.3570 -5.2079 -5.2079 -5.0939 -5.0939 -4.9969 -4.9969 -0.8760 -0.8760 2.3292 2.3292 2.5672 2.5672 3.0339 3.0339 4.1867 4.1867 4.5617 4.5617 4.7441 4.7441 4.9888 4.9888 5.0786 5.0786 7.5844 7.5844 8.8184 8.8184 9.4655 9.4655 10.2612 10.2612 k = 0.5000 0.2887 0.3039 ( 6786 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3077 -21.3077 -21.2899 -21.2899 -7.6198 -7.6198 -6.1249 -6.1249 -5.9858 -5.9858 -5.3561 -5.3561 -5.2058 -5.2058 -5.0951 -5.0951 -4.9985 -4.9985 -0.8208 -0.8208 2.3541 2.3541 2.5947 2.5947 2.9363 2.9363 4.1833 4.1833 4.5602 4.5602 4.7055 4.7055 4.9467 4.9467 5.0220 5.0220 7.6345 7.6345 8.8865 8.8865 9.3982 9.3982 10.2536 10.2536 k = 0.5000 0.2887 0.2870 ( 6792 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3081 -21.3081 -21.2896 -21.2896 -7.6259 -7.6259 -6.1243 -6.1243 -5.9830 -5.9830 -5.3550 -5.3550 -5.2036 -5.2036 -5.0966 -5.0966 -5.0000 -5.0000 -0.7613 -0.7613 2.3804 2.3804 2.6242 2.6242 2.8357 2.8357 4.1792 4.1792 4.5577 4.5577 4.6520 4.6520 4.8951 4.8951 4.9878 4.9878 7.6808 7.6808 8.9558 8.9558 9.3338 9.3338 10.2517 10.2517 k = 0.5000 0.2887 0.2702 ( 6786 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3084 -21.3084 -21.2893 -21.2893 -7.6320 -7.6320 -6.1237 -6.1237 -5.9800 -5.9800 -5.3539 -5.3539 -5.2012 -5.2012 -5.0983 -5.0983 -5.0016 -5.0016 -0.6976 -0.6976 2.4074 2.4074 2.6537 2.6537 2.7353 2.7353 4.1742 4.1742 4.5503 4.5503 4.5930 4.5930 4.8306 4.8306 4.9753 4.9753 7.7227 7.7227 9.0258 9.0258 9.2728 9.2728 10.2559 10.2559 k = 0.5000 0.2887 0.2533 ( 6794 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3088 -21.3088 -21.2890 -21.2890 -7.6382 -7.6382 -6.1231 -6.1231 -5.9770 -5.9770 -5.3528 -5.3528 -5.1988 -5.1988 -5.1002 -5.1002 -5.0032 -5.0032 -0.6298 -0.6298 2.4320 2.4320 2.6233 2.6233 2.6982 2.6982 4.1678 4.1678 4.5067 4.5067 4.5637 4.5637 4.7613 4.7613 4.9732 4.9732 7.7599 7.7599 9.0952 9.0952 9.2157 9.2157 10.2666 10.2666 k = 0.5000 0.2887 0.2364 ( 6790 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3091 -21.3091 -21.2888 -21.2888 -7.6443 -7.6443 -6.1226 -6.1226 -5.9740 -5.9740 -5.3515 -5.3515 -5.1962 -5.1962 -5.1024 -5.1024 -5.0047 -5.0047 -0.5581 -0.5581 2.4350 2.4350 2.5454 2.5454 2.7316 2.7316 4.1594 4.1594 4.4373 4.4373 4.5564 4.5564 4.6923 4.6923 4.9756 4.9756 7.7920 7.7920 9.1489 9.1489 9.1775 9.1775 10.2837 10.2837 k = 0.5000 0.2887 0.2195 ( 6786 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3094 -21.3094 -21.2885 -21.2885 -7.6504 -7.6504 -6.1220 -6.1220 -5.9710 -5.9710 -5.3502 -5.3502 -5.1935 -5.1935 -5.1047 -5.1047 -5.0061 -5.0061 -0.4827 -0.4827 2.3649 2.3649 2.5377 2.5377 2.7699 2.7699 4.1480 4.1480 4.3653 4.3653 4.5462 4.5462 4.6294 4.6294 4.9800 4.9800 7.8190 7.8190 9.1078 9.1078 9.2369 9.2369 10.3072 10.3072 k = 0.5000 0.2887 0.2026 ( 6788 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3097 -21.3097 -21.2883 -21.2883 -7.6563 -7.6563 -6.1215 -6.1215 -5.9681 -5.9681 -5.3489 -5.3489 -5.1907 -5.1907 -5.1073 -5.1073 -5.0075 -5.0075 -0.4037 -0.4037 2.2589 2.2589 2.5654 2.5654 2.8105 2.8105 4.1314 4.1314 4.2952 4.2952 4.5173 4.5173 4.5881 4.5881 4.9853 4.9853 7.8411 7.8411 9.0618 9.0618 9.3034 9.3034 10.3365 10.3365 k = 0.5000 0.2887 0.1857 ( 6784 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3100 -21.3100 -21.2881 -21.2881 -7.6619 -7.6619 -6.1210 -6.1210 -5.9652 -5.9652 -5.3475 -5.3475 -5.1879 -5.1879 -5.1101 -5.1101 -5.0089 -5.0089 -0.3212 -0.3212 2.1454 2.1454 2.6005 2.6005 2.8532 2.8532 4.1057 4.1057 4.2304 4.2304 4.4658 4.4658 4.5738 4.5738 4.9909 4.9909 7.8586 7.8586 9.0192 9.0192 9.3682 9.3682 10.3713 10.3713 k = 0.5000 0.2887 0.1689 ( 6792 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3103 -21.3103 -21.2879 -21.2879 -7.6673 -7.6673 -6.1206 -6.1206 -5.9625 -5.9625 -5.3462 -5.3462 -5.1849 -5.1849 -5.1130 -5.1130 -5.0101 -5.0101 -0.2355 -0.2355 2.0293 2.0293 2.6387 2.6387 2.8978 2.8978 4.0662 4.0662 4.1747 4.1747 4.4117 4.4117 4.5687 4.5687 4.9964 4.9964 7.8719 7.8719 8.9803 8.9803 9.4304 9.4304 10.4105 10.4105 k = 0.5000 0.2887 0.1520 ( 6800 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3105 -21.3105 -21.2877 -21.2877 -7.6723 -7.6723 -6.1201 -6.1201 -5.9600 -5.9600 -5.3449 -5.3449 -5.1819 -5.1819 -5.1162 -5.1162 -5.0112 -5.0112 -0.1468 -0.1468 1.9120 1.9120 2.6785 2.6785 2.9440 2.9440 4.0127 4.0127 4.1264 4.1264 4.3645 4.3645 4.5660 4.5660 5.0017 5.0017 7.8815 7.8815 8.9453 8.9453 9.4894 9.4894 10.4531 10.4531 k = 0.5000 0.2887 0.1351 ( 6790 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3108 -21.3108 -21.2875 -21.2875 -7.6769 -7.6769 -6.1198 -6.1198 -5.9576 -5.9576 -5.3436 -5.3436 -5.1787 -5.1787 -5.1195 -5.1195 -5.0123 -5.0123 -0.0555 -0.0555 1.7944 1.7944 2.7192 2.7192 2.9917 2.9917 3.9516 3.9516 4.0785 4.0785 4.3274 4.3274 4.5644 4.5644 5.0066 5.0066 7.8882 7.8882 8.9141 8.9141 9.5447 9.5447 10.4978 10.4978 k = 0.5000 0.2887 0.1182 ( 6792 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3110 -21.3110 -21.2874 -21.2874 -7.6811 -7.6811 -6.1194 -6.1194 -5.9554 -5.9554 -5.3424 -5.3424 -5.1755 -5.1755 -5.1229 -5.1229 -5.0132 -5.0132 0.0382 0.0382 1.6770 1.6770 2.7604 2.7604 3.0404 3.0404 3.8886 3.8886 4.0269 4.0269 4.3005 4.3005 4.5632 4.5632 5.0110 5.0110 7.8923 7.8923 8.8867 8.8867 9.5955 9.5955 10.5430 10.5430 k = 0.5000 0.2887 0.1013 ( 6792 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3111 -21.3111 -21.2872 -21.2872 -7.6849 -7.6849 -6.1191 -6.1191 -5.9534 -5.9534 -5.3413 -5.3413 -5.1722 -5.1722 -5.1264 -5.1264 -5.0140 -5.0140 0.1338 0.1338 1.5607 1.5607 2.8011 2.8011 3.0899 3.0899 3.8268 3.8268 3.9719 3.9719 4.2818 4.2818 4.5624 4.5624 5.0149 5.0149 7.8946 7.8946 8.8630 8.8630 9.6413 9.6413 10.5868 10.5868 k = 0.5000 0.2887 0.0844 ( 6784 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3113 -21.3113 -21.2871 -21.2871 -7.6881 -7.6881 -6.1189 -6.1189 -5.9518 -5.9518 -5.3403 -5.3403 -5.1689 -5.1689 -5.1300 -5.1300 -5.0146 -5.0146 0.2304 0.2304 1.4462 1.4462 2.8404 2.8404 3.1393 3.1393 3.7682 3.7682 3.9158 3.9158 4.2691 4.2691 4.5617 4.5617 5.0183 5.0183 7.8956 7.8956 8.8431 8.8431 9.6814 9.6814 10.6274 10.6274 k = 0.5000 0.2887 0.0675 ( 6794 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3114 -21.3114 -21.2870 -21.2870 -7.6908 -7.6908 -6.1187 -6.1187 -5.9504 -5.9504 -5.3395 -5.3395 -5.1655 -5.1655 -5.1336 -5.1336 -5.0152 -5.0152 0.3270 0.3270 1.3349 1.3349 2.8770 2.8770 3.1877 3.1877 3.7144 3.7144 3.8613 3.8613 4.2603 4.2603 4.5612 4.5612 5.0210 5.0210 7.8957 7.8957 8.8268 8.8268 9.7152 9.7152 10.6630 10.6630 k = 0.5000 0.2887 0.0507 ( 6782 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3115 -21.3115 -21.2870 -21.2870 -7.6929 -7.6929 -6.1185 -6.1185 -5.9493 -5.9493 -5.3388 -5.3388 -5.1622 -5.1622 -5.1372 -5.1372 -5.0156 -5.0156 0.4212 0.4212 1.2292 1.2292 2.9092 2.9092 3.2331 3.2331 3.6674 3.6674 3.8117 3.8117 4.2545 4.2545 4.5608 4.5608 5.0232 5.0232 7.8954 7.8954 8.8142 8.8142 9.7423 9.7423 10.6919 10.6919 k = 0.5000 0.2887 0.0338 ( 6786 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3116 -21.3116 -21.2869 -21.2869 -7.6944 -7.6944 -6.1184 -6.1184 -5.9485 -5.9485 -5.3383 -5.3383 -5.1590 -5.1590 -5.1406 -5.1406 -5.0160 -5.0160 0.5081 0.5081 1.1340 1.1340 2.9348 2.9348 3.2725 3.2725 3.6293 3.6293 3.7707 3.7707 4.2507 4.2507 4.5605 4.5605 5.0248 5.0248 7.8949 7.8949 8.8052 8.8052 9.7619 9.7619 10.7131 10.7131 k = 0.5000 0.2887 0.0169 ( 6786 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3116 -21.3116 -21.2869 -21.2869 -7.6953 -7.6953 -6.1183 -6.1183 -5.9480 -5.9480 -5.3380 -5.3380 -5.1562 -5.1562 -5.1434 -5.1434 -5.0161 -5.0161 0.5765 0.5765 1.0606 1.0606 2.9515 2.9515 3.3007 3.3007 3.6034 3.6034 3.7430 3.7430 4.2485 4.2485 4.5604 4.5604 5.0257 5.0257 7.8945 7.8945 8.7998 8.7998 9.7739 9.7739 10.7259 10.7259 k = 0.5000 0.2887-0.0000 ( 6778 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.3117 -21.3117 -21.2869 -21.2869 -7.6956 -7.6956 -6.1183 -6.1183 -5.9478 -5.9478 -5.3379 -5.3379 -5.1550 -5.1550 -5.1447 -5.1447 -5.0162 -5.0162 0.6045 0.6045 1.0309 1.0309 2.9574 2.9574 3.3113 3.3113 3.5940 3.5940 3.7332 3.7332 4.2479 4.2479 4.5603 4.5603 5.0260 5.0260 7.8944 7.8944 8.7980 8.7980 9.7779 9.7779 10.7302 10.7302 k = 0.3333 0.5774-0.0000 ( 6798 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2991 -21.2991 -21.2990 -21.2990 -7.7109 -7.7109 -6.0713 -6.0713 -5.9938 -5.9938 -5.2599 -5.2599 -5.2130 -5.2130 -5.1415 -5.1415 -5.0393 -5.0393 0.6086 0.6086 1.0588 1.0588 3.1265 3.1265 3.1285 3.1285 3.6315 3.6315 3.7311 3.7311 4.2569 4.2569 4.5489 4.5489 5.0729 5.0729 8.1971 8.1971 8.2115 8.2115 10.4447 10.4447 10.5137 10.5137 k = 0.3333 0.5774 0.0169 ( 6798 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2991 -21.2991 -21.2990 -21.2990 -7.7105 -7.7105 -6.0714 -6.0714 -5.9939 -5.9939 -5.2605 -5.2605 -5.2129 -5.2129 -5.1410 -5.1410 -5.0394 -5.0394 0.5819 0.5819 1.0871 1.0871 3.1201 3.1201 3.1205 3.1205 3.6412 3.6412 3.7387 3.7387 4.2577 4.2577 4.5491 4.5491 5.0726 5.0726 8.1978 8.1978 8.2120 8.2120 10.4349 10.4349 10.5034 10.5034 k = 0.3333 0.5774 0.0338 ( 6792 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2991 -21.2991 -21.2990 -21.2990 -7.7096 -7.7096 -6.0719 -6.0719 -5.9942 -5.9942 -5.2621 -5.2621 -5.2127 -5.2127 -5.1394 -5.1394 -5.0395 -5.0395 0.5158 0.5158 1.1583 1.1583 3.0981 3.0981 3.1018 3.1018 3.6685 3.6685 3.7601 3.7601 4.2601 4.2601 4.5495 4.5495 5.0718 5.0718 8.2000 8.2000 8.2137 8.2137 10.4066 10.4066 10.4738 10.4738 k = 0.3333 0.5774 0.0507 ( 6780 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2991 -21.2991 -21.2990 -21.2990 -7.7080 -7.7080 -6.0726 -6.0726 -5.9947 -5.9947 -5.2646 -5.2646 -5.2122 -5.2122 -5.1369 -5.1369 -5.0396 -5.0396 0.4309 0.4309 1.2517 1.2517 3.0651 3.0651 3.0739 3.0739 3.7097 3.7097 3.7929 3.7929 4.2644 4.2644 4.5503 4.5503 5.0706 5.0706 8.2034 8.2034 8.2162 8.2162 10.3637 10.3637 10.4292 10.4292 k = 0.3333 0.5774 0.0675 ( 6786 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2990 -21.2990 -21.2990 -21.2990 -7.7057 -7.7057 -6.0736 -6.0736 -5.9954 -5.9954 -5.2680 -5.2680 -5.2116 -5.2116 -5.1337 -5.1337 -5.0398 -5.0398 0.3380 0.3380 1.3564 1.3564 3.0253 3.0253 3.0392 3.0392 3.7608 3.7608 3.8339 3.8339 4.2708 4.2708 4.5513 4.5513 5.0687 5.0687 8.2080 8.2080 8.2195 8.2195 10.3104 10.3104 10.3740 10.3740 k = 0.3333 0.5774 0.0844 ( 6789 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2990 -21.2990 -21.2990 -21.2990 -7.7029 -7.7029 -6.0749 -6.0749 -5.9963 -5.9963 -5.2720 -5.2720 -5.2108 -5.2108 -5.1299 -5.1299 -5.0399 -5.0399 0.2425 0.2425 1.4670 1.4670 2.9816 2.9816 3.0000 3.0000 3.8190 3.8190 3.8802 3.8802 4.2802 4.2802 4.5526 4.5526 5.0663 5.0663 8.2133 8.2133 8.2232 8.2232 10.2507 10.2507 10.3122 10.3122 k = 0.3333 0.5774 0.1013 ( 6768 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2990 -21.2990 -21.2990 -21.2990 -7.6995 -7.6995 -6.0765 -6.0765 -5.9974 -5.9974 -5.2765 -5.2765 -5.2098 -5.2098 -5.1257 -5.1257 -5.0401 -5.0401 0.1466 0.1466 1.5811 1.5811 2.9359 2.9359 2.9581 2.9581 3.8822 3.8822 3.9287 3.9287 4.2934 4.2934 4.5542 4.5542 5.0635 5.0635 8.2191 8.2191 8.2269 8.2269 10.1879 10.1879 10.2470 10.2470 k = 0.3333 0.5774 0.1182 ( 6756 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2990 -21.2990 -21.2989 -21.2989 -7.6956 -7.6956 -6.0782 -6.0782 -5.9987 -5.9987 -5.2813 -5.2813 -5.2087 -5.2087 -5.1214 -5.1214 -5.0401 -5.0401 0.0517 0.0517 1.6974 1.6974 2.8896 2.8896 2.9149 2.9149 3.9490 3.9490 3.9767 3.9767 4.3120 4.3120 4.5562 4.5562 5.0601 5.0601 8.2248 8.2248 8.2300 8.2300 10.1244 10.1244 10.1809 10.1809 k = 0.3333 0.5774 0.1351 ( 6780 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2989 -21.2989 -21.2989 -21.2989 -7.6911 -7.6911 -6.0802 -6.0802 -6.0001 -6.0001 -5.2864 -5.2864 -5.2075 -5.2075 -5.1170 -5.1170 -5.0399 -5.0399 -0.0415 -0.0415 1.8149 1.8149 2.8434 2.8434 2.8712 2.8712 4.0184 4.0184 4.0213 4.0213 4.3376 4.3376 4.5584 4.5584 5.0562 5.0562 8.2298 8.2298 8.2319 8.2319 10.0623 10.0623 10.1158 10.1158 k = 0.3333 0.5774 0.1520 ( 6777 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2989 -21.2989 -21.2989 -21.2989 -7.6862 -7.6862 -6.0824 -6.0824 -6.0017 -6.0017 -5.2916 -5.2916 -5.2062 -5.2062 -5.1128 -5.1128 -5.0396 -5.0396 -0.1324 -0.1324 1.9330 1.9330 2.7980 2.7980 2.8277 2.8277 4.0601 4.0601 4.0896 4.0896 4.3722 4.3722 4.5611 4.5611 5.0518 5.0518 8.2320 8.2320 8.2334 8.2334 10.0035 10.0035 10.0535 10.0535 k = 0.3333 0.5774 0.1689 ( 6780 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2989 -21.2989 -21.2989 -21.2989 -7.6809 -7.6809 -6.0848 -6.0848 -6.0034 -6.0034 -5.2969 -5.2969 -5.2047 -5.2047 -5.1089 -5.1089 -5.0389 -5.0389 -0.2206 -0.2206 2.0511 2.0511 2.7538 2.7538 2.7850 2.7850 4.0916 4.0916 4.1618 4.1618 4.4164 4.4164 4.5645 4.5645 5.0469 5.0469 8.2295 8.2295 8.2348 8.2348 9.9494 9.9494 9.9955 9.9955 k = 0.3333 0.5774 0.1857 ( 6780 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2989 -21.2989 -21.2988 -21.2988 -7.6752 -7.6752 -6.0873 -6.0873 -6.0053 -6.0053 -5.3022 -5.3022 -5.2032 -5.2032 -5.1054 -5.1054 -5.0379 -5.0379 -0.3059 -0.3059 2.1687 2.1687 2.7111 2.7111 2.7434 2.7434 4.1160 4.1160 4.2344 4.2344 4.4697 4.4697 4.5686 4.5686 5.0416 5.0416 8.2234 8.2234 8.2331 8.2331 9.9014 9.9014 9.9432 9.9432 k = 0.3333 0.5774 0.2026 ( 6777 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2988 -21.2988 -21.2988 -21.2988 -7.6692 -7.6692 -6.0899 -6.0899 -6.0072 -6.0072 -5.3074 -5.3074 -5.2016 -5.2016 -5.1025 -5.1025 -5.0364 -5.0364 -0.3880 -0.3880 2.2852 2.2852 2.6702 2.6702 2.7031 2.7031 4.1344 4.1344 4.3062 4.3062 4.5303 4.5303 4.5741 4.5741 5.0360 5.0360 8.2130 8.2130 8.2276 8.2276 9.8608 9.8608 9.8978 9.8978 k = 0.3333 0.5774 0.2195 ( 6774 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2988 -21.2988 -21.2987 -21.2987 -7.6630 -7.6630 -6.0925 -6.0925 -6.0092 -6.0092 -5.3125 -5.3125 -5.2000 -5.2000 -5.1001 -5.1001 -5.0345 -5.0345 -0.4667 -0.4667 2.3998 2.3998 2.6319 2.6319 2.6643 2.6643 4.1483 4.1483 4.3755 4.3755 4.5821 4.5821 4.5965 4.5965 5.0303 5.0303 8.1977 8.1977 8.2173 8.2173 9.8286 9.8286 9.8606 9.8606 k = 0.3333 0.5774 0.2364 ( 6777 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2987 -21.2987 -21.2987 -21.2987 -7.6566 -7.6566 -6.0953 -6.0953 -6.0113 -6.0113 -5.3175 -5.3175 -5.1984 -5.1984 -5.0983 -5.0983 -5.0322 -5.0322 -0.5418 -0.5418 2.5079 2.5079 2.6002 2.6002 2.6273 2.6273 4.1591 4.1591 4.4390 4.4390 4.5953 4.5953 4.6665 4.6665 5.0248 5.0248 8.1768 8.1768 8.2017 8.2017 9.8056 9.8056 9.8324 9.8324 k = 0.3333 0.5774 0.2533 ( 6783 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2987 -21.2987 -21.2987 -21.2987 -7.6501 -7.6501 -6.0980 -6.0980 -6.0134 -6.0134 -5.3223 -5.3223 -5.1967 -5.1967 -5.0971 -5.0971 -5.0295 -5.0295 -0.6132 -0.6132 2.5453 2.5453 2.5921 2.5921 2.6391 2.6391 4.1676 4.1676 4.4899 4.4899 4.6194 4.6194 4.7391 4.7391 5.0201 5.0201 8.1503 8.1503 8.1802 8.1802 9.7922 9.7922 9.8138 9.8138 k = 0.3333 0.5774 0.2702 ( 6771 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2987 -21.2987 -21.2986 -21.2986 -7.6435 -7.6435 -6.1008 -6.1008 -6.0156 -6.0156 -5.3269 -5.3269 -5.1951 -5.1951 -5.0963 -5.0963 -5.0265 -5.0265 -0.6806 -0.6806 2.5174 2.5174 2.5588 2.5588 2.7430 2.7430 4.1744 4.1744 4.5221 4.5221 4.6592 4.6592 4.8131 4.8131 5.0171 5.0171 8.1180 8.1180 8.1527 8.1527 9.7887 9.7887 9.8054 9.8054 k = 0.3333 0.5774 0.2870 ( 6786 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2986 -21.2986 -21.2986 -21.2986 -7.6370 -7.6370 -6.1034 -6.1034 -6.0177 -6.0177 -5.3313 -5.3313 -5.1934 -5.1934 -5.0960 -5.0960 -5.0234 -5.0234 -0.7441 -0.7441 2.4870 2.4870 2.5276 2.5276 2.8483 2.8483 4.1801 4.1801 4.5392 4.5392 4.7089 4.7089 4.8877 4.8877 5.0176 5.0176 8.0805 8.0805 8.1195 8.1195 9.7947 9.7947 9.8068 9.8068 k = 0.3333 0.5774 0.3039 ( 6807 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2986 -21.2986 -21.2986 -21.2986 -7.6305 -7.6305 -6.1061 -6.1061 -6.0198 -6.0198 -5.3354 -5.3354 -5.1919 -5.1919 -5.0960 -5.0960 -5.0201 -5.0201 -0.8033 -0.8033 2.4581 2.4581 2.4984 2.4984 2.9508 2.9508 4.1849 4.1849 4.5489 4.5489 4.7574 4.7574 4.9622 4.9622 5.0244 5.0244 8.0385 8.0385 8.0811 8.0811 9.8099 9.8099 9.8179 9.8179 k = 0.3333 0.5774 0.3208 ( 6804 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2986 -21.2986 -21.2985 -21.2985 -7.6243 -7.6243 -6.1086 -6.1086 -6.0219 -6.0219 -5.3393 -5.3393 -5.1904 -5.1904 -5.0963 -5.0963 -5.0168 -5.0168 -0.8583 -0.8583 2.4311 2.4311 2.4714 2.4714 3.0496 3.0496 4.1889 4.1889 4.5551 4.5551 4.7963 4.7963 5.0358 5.0358 5.0419 5.0419 7.9927 7.9927 8.0384 8.0384 9.8334 9.8334 9.8378 9.8378 k = 0.3333 0.5774 0.3377 ( 6804 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2985 -21.2985 -21.2985 -21.2985 -7.6183 -7.6183 -6.1110 -6.1110 -6.0238 -6.0238 -5.3429 -5.3429 -5.1889 -5.1889 -5.0967 -5.0967 -5.0136 -5.0136 -0.9089 -0.9089 2.4063 2.4063 2.4467 2.4467 3.1440 3.1440 4.1924 4.1924 4.5596 4.5596 4.8206 4.8206 5.0726 5.0726 5.1078 5.1078 7.9445 7.9445 7.9924 7.9924 9.8642 9.8642 9.8657 9.8657 k = 0.3333 0.5774 0.3546 ( 6816 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2985 -21.2985 -21.2985 -21.2985 -7.6126 -7.6126 -6.1133 -6.1133 -6.0257 -6.0257 -5.3462 -5.3462 -5.1876 -5.1876 -5.0973 -5.0973 -5.0105 -5.0105 -0.9550 -0.9550 2.3837 2.3837 2.4241 2.4241 3.2332 3.2332 4.1954 4.1954 4.5630 4.5630 4.8309 4.8309 5.1147 5.1147 5.1773 5.1773 7.8949 7.8949 7.9444 7.9444 9.9004 9.9004 9.9014 9.9014 k = 0.3333 0.5774 0.3715 ( 6804 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2985 -21.2985 -21.2984 -21.2984 -7.6073 -7.6073 -6.1153 -6.1153 -6.0274 -6.0274 -5.3493 -5.3493 -5.1863 -5.1863 -5.0979 -5.0979 -5.0076 -5.0076 -0.9964 -0.9964 2.3634 2.3634 2.4039 2.4039 3.3165 3.3165 4.1981 4.1981 4.5659 4.5659 4.8312 4.8312 5.1634 5.1634 5.2438 5.2438 7.8453 7.8453 7.8959 7.8959 9.9408 9.9408 9.9436 9.9436 k = 0.3333 0.5774 0.3884 ( 6804 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2984 -21.2984 -21.2984 -21.2984 -7.6024 -7.6024 -6.1172 -6.1172 -6.0290 -6.0290 -5.3520 -5.3520 -5.1852 -5.1852 -5.0985 -5.0985 -5.0049 -5.0049 -1.0332 -1.0332 2.3454 2.3454 2.3860 2.3860 3.3933 3.3933 4.2003 4.2003 4.5682 4.5682 4.8256 4.8256 5.2138 5.2138 5.3061 5.3061 7.7970 7.7970 7.8480 7.8480 9.9853 9.9853 9.9895 9.9895 k = 0.3333 0.5774 0.4052 ( 6816 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2984 -21.2984 -21.2984 -21.2984 -7.5981 -7.5981 -6.1189 -6.1189 -6.0304 -6.0304 -5.3543 -5.3543 -5.1842 -5.1842 -5.0991 -5.0991 -5.0026 -5.0026 -1.0653 -1.0653 2.3298 2.3298 2.3704 2.3704 3.4626 3.4626 4.2022 4.2022 4.5701 4.5701 4.8167 4.8167 5.2626 5.2626 5.3632 5.3632 7.7513 7.7513 7.8024 7.8024 10.0323 10.0323 10.0376 10.0376 k = 0.3333 0.5774 0.4221 ( 6810 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2984 -21.2984 -21.2984 -21.2984 -7.5944 -7.5944 -6.1204 -6.1204 -6.0317 -6.0317 -5.3564 -5.3564 -5.1833 -5.1833 -5.0997 -5.0997 -5.0005 -5.0005 -1.0925 -1.0925 2.3166 2.3166 2.3572 2.3572 3.5236 3.5236 4.2038 4.2038 4.5716 4.5716 4.8065 4.8065 5.3075 5.3075 5.4143 5.4143 7.7097 7.7097 7.7605 7.7605 10.0801 10.0801 10.0861 10.0861 k = 0.3333 0.5774 0.4390 ( 6816 PWs) bands (ev): -77.5437 -77.5437 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2984 -21.2984 -21.2983 -21.2983 -7.5912 -7.5912 -6.1216 -6.1216 -6.0327 -6.0327 -5.3580 -5.3580 -5.1826 -5.1826 -5.1001 -5.1001 -4.9988 -4.9988 -1.1149 -1.1149 2.3057 2.3057 2.3464 2.3464 3.5754 3.5754 4.2050 4.2050 4.5729 4.5729 4.7962 4.7962 5.3466 5.3466 5.4580 5.4580 7.6734 7.6734 7.7238 7.7238 10.1262 10.1262 10.1327 10.1327 k = 0.3333 0.5774 0.4559 ( 6792 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2984 -21.2984 -21.2983 -21.2983 -7.5887 -7.5887 -6.1225 -6.1225 -6.0335 -6.0335 -5.3593 -5.3593 -5.1821 -5.1821 -5.1005 -5.1005 -4.9975 -4.9975 -1.1323 -1.1323 2.2972 2.2972 2.3380 2.3380 3.6169 3.6169 4.2061 4.2061 4.5739 4.5739 4.7869 4.7869 5.3788 5.3788 5.4936 5.4936 7.6436 7.6436 7.6935 7.6935 10.1679 10.1679 10.1746 10.1746 k = 0.3333 0.5774 0.4728 ( 6798 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2983 -21.2983 -21.2983 -21.2983 -7.5869 -7.5869 -6.1232 -6.1232 -6.0341 -6.0341 -5.3603 -5.3603 -5.1817 -5.1817 -5.1008 -5.1008 -4.9965 -4.9965 -1.1448 -1.1448 2.2912 2.2912 2.3319 2.3319 3.6474 3.6474 4.2068 4.2068 4.5746 4.5746 4.7795 4.7795 5.4026 5.4026 5.5198 5.5198 7.6215 7.6215 7.6709 7.6709 10.2017 10.2017 10.2085 10.2085 k = 0.3333 0.5774 0.4897 ( 6792 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2983 -21.2983 -21.2983 -21.2983 -7.5858 -7.5858 -6.1236 -6.1236 -6.0345 -6.0345 -5.3608 -5.3608 -5.1814 -5.1814 -5.1010 -5.1010 -4.9959 -4.9959 -1.1523 -1.1523 2.2876 2.2876 2.3283 2.3283 3.6660 3.6660 4.2072 4.2072 4.5750 4.5750 4.7748 4.7748 5.4173 5.4173 5.5359 5.5359 7.6079 7.6079 7.6569 7.6569 10.2241 10.2241 10.2309 10.2309 k = 0.3333 0.5774 0.5066 ( 6804 PWs) bands (ev): -77.5436 -77.5436 -46.3818 -46.3818 -42.0379 -42.0379 -41.7718 -41.7718 -21.2983 -21.2983 -21.2983 -21.2983 -7.5855 -7.5855 -6.1238 -6.1238 -6.0346 -6.0346 -5.3610 -5.3610 -5.1813 -5.1813 -5.1010 -5.1010 -4.9957 -4.9957 -1.1548 -1.1548 2.2863 2.2863 2.3271 2.3271 3.6723 3.6723 4.2073 4.2073 4.5751 4.5751 4.7731 4.7731 5.4222 5.4222 5.5413 5.5413 7.6033 7.6033 7.6522 7.6522 10.2320 10.2320 10.2388 10.2388 Writing output data file Rb2PdC2.save init_run : 0.58s CPU 0.90s WALL ( 1 calls) electrons : 172.96s CPU 176.49s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 172.95s CPU 176.48s 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 : 0.13s CPU 0.23s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.10s WALL ( 287 calls) cegterg : 155.63s CPU 157.25s WALL ( 429 calls) Called by sum_band: Called by *egterg: h_psi : 102.82s CPU 104.36s WALL ( 6320 calls) s_psi : 4.94s CPU 4.68s WALL ( 6320 calls) g_psi : 0.27s CPU 0.31s WALL ( 5604 calls) cdiaghg : 41.46s CPU 41.96s WALL ( 5891 calls) cegterg:over : 6.81s CPU 6.87s WALL ( 5604 calls) cegterg:upda : 6.30s CPU 6.40s WALL ( 5604 calls) cegterg:last : 3.36s CPU 3.39s WALL ( 1003 calls) cdiaghg:chol : 2.48s CPU 2.43s WALL ( 5891 calls) cdiaghg:inve : 1.53s CPU 1.56s WALL ( 5891 calls) cdiaghg:para : 2.48s CPU 2.49s WALL ( 11782 calls) Called by h_psi: h_psi:vloc : 92.43s CPU 93.74s WALL ( 6320 calls) h_psi:vnl : 10.11s CPU 10.30s WALL ( 6320 calls) add_vuspsi : 4.88s CPU 5.18s WALL ( 6320 calls) General routines calbec : 5.22s CPU 5.11s WALL ( 6320 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 83.73s CPU 84.99s WALL ( 662864 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.36s WALL ( 574 calls) Parallel routines fft_scatter : 25.58s CPU 25.93s WALL ( 662887 calls) PWSCF : 3m12.74s CPU 3m38.64s WALL This run was terminated on: 16:27:14 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=