Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:42:39 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./CS2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 61 30 8 2355 828 128 Max 62 31 9 2360 849 133 Sum 2221 1111 313 84873 30131 4727 bravais-lattice index = 14 lattice parameter (alat) = 9.8870 a.u. unit-cell volume = 849.0078 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.887046 celldm(2)= 1.000000 celldm(3)= 1.014335 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.014335 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.985868 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 S 6.00 32.06500 S( 1.00) C 4.00 12.01070 C( 1.00) 6 Sym. Ops. (no inversion) found ( 4 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.3333333 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.3381116 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.3333333 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3381116 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.3333333 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3381116 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.3333333 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3381116 ) 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 ) double point group D_3 (32) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' G_4 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 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' G_4 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 G_6 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] Cartesian axes number of k points= 293 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 2) = ( 0.0142857 0.0082479 -0.0000000), wk = 0.0034130 k( 3) = ( 0.0285714 0.0164957 -0.0000000), wk = 0.0034130 k( 4) = ( 0.0428571 0.0247436 -0.0000000), wk = 0.0034130 k( 5) = ( 0.0571429 0.0329914 -0.0000000), wk = 0.0034130 k( 6) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0034130 k( 7) = ( 0.0857143 0.0494872 -0.0000000), wk = 0.0034130 k( 8) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0034130 k( 9) = ( 0.1142857 0.0659829 -0.0000000), wk = 0.0034130 k( 10) = ( 0.1285714 0.0742307 -0.0000000), wk = 0.0034130 k( 11) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0034130 k( 12) = ( 0.1571429 0.0907265 -0.0000000), wk = 0.0034130 k( 13) = ( 0.1714286 0.0989743 -0.0000000), wk = 0.0034130 k( 14) = ( 0.1857143 0.1072222 -0.0000000), wk = 0.0034130 k( 15) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0034130 k( 16) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0034130 k( 17) = ( 0.2285714 0.1319658 -0.0000000), wk = 0.0034130 k( 18) = ( 0.2428571 0.1402136 -0.0000000), wk = 0.0034130 k( 19) = ( 0.2571429 0.1484615 -0.0000000), wk = 0.0034130 k( 20) = ( 0.2714286 0.1567094 -0.0000000), wk = 0.0034130 k( 21) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0034130 k( 22) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0034130 k( 23) = ( 0.3142857 0.1814529 -0.0000000), wk = 0.0034130 k( 24) = ( 0.3285714 0.1897008 -0.0000000), wk = 0.0034130 k( 25) = ( 0.3428571 0.1979487 -0.0000000), wk = 0.0034130 k( 26) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0034130 k( 27) = ( 0.3714286 0.2144444 -0.0000000), wk = 0.0034130 k( 28) = ( 0.3857143 0.2226922 -0.0000000), wk = 0.0034130 k( 29) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0034130 k( 30) = ( 0.4142857 0.2391880 -0.0000000), wk = 0.0034130 k( 31) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0034130 k( 32) = ( 0.4428571 0.2556837 -0.0000000), wk = 0.0034130 k( 33) = ( 0.4571429 0.2639316 -0.0000000), wk = 0.0034130 k( 34) = ( 0.4714286 0.2721794 -0.0000000), wk = 0.0034130 k( 35) = ( 0.4857143 0.2804273 -0.0000000), wk = 0.0034130 k( 36) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034130 k( 37) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034130 k( 38) = ( 0.4920635 0.3024216 -0.0000000), wk = 0.0034130 k( 39) = ( 0.4841270 0.3161680 -0.0000000), wk = 0.0034130 k( 40) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0034130 k( 41) = ( 0.4682540 0.3436609 -0.0000000), wk = 0.0034130 k( 42) = ( 0.4603175 0.3574073 -0.0000000), wk = 0.0034130 k( 43) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0034130 k( 44) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0034130 k( 45) = ( 0.4365079 0.3986466 -0.0000000), wk = 0.0034130 k( 46) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0034130 k( 47) = ( 0.4206349 0.4261395 -0.0000000), wk = 0.0034130 k( 48) = ( 0.4126984 0.4398859 -0.0000000), wk = 0.0034130 k( 49) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0034130 k( 50) = ( 0.3968254 0.4673788 -0.0000000), wk = 0.0034130 k( 51) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0034130 k( 52) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0034130 k( 53) = ( 0.3730159 0.5086181 -0.0000000), wk = 0.0034130 k( 54) = ( 0.3650794 0.5223645 -0.0000000), wk = 0.0034130 k( 55) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0034130 k( 56) = ( 0.3492063 0.5498574 -0.0000000), wk = 0.0034130 k( 57) = ( 0.3412698 0.5636038 -0.0000000), wk = 0.0034130 k( 58) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034130 k( 59) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034130 k( 60) = ( 0.3252032 0.5632686 -0.0000000), wk = 0.0034130 k( 61) = ( 0.3170732 0.5491868 -0.0000000), wk = 0.0034130 k( 62) = ( 0.3089431 0.5351051 -0.0000000), wk = 0.0034130 k( 63) = ( 0.3008130 0.5210234 -0.0000000), wk = 0.0034130 k( 64) = ( 0.2926829 0.5069417 -0.0000000), wk = 0.0034130 k( 65) = ( 0.2845529 0.4928600 -0.0000000), wk = 0.0034130 k( 66) = ( 0.2764228 0.4787783 -0.0000000), wk = 0.0034130 k( 67) = ( 0.2682927 0.4646966 -0.0000000), wk = 0.0034130 k( 68) = ( 0.2601626 0.4506148 -0.0000000), wk = 0.0034130 k( 69) = ( 0.2520325 0.4365331 -0.0000000), wk = 0.0034130 k( 70) = ( 0.2439024 0.4224514 -0.0000000), wk = 0.0034130 k( 71) = ( 0.2357724 0.4083697 -0.0000000), wk = 0.0034130 k( 72) = ( 0.2276423 0.3942880 -0.0000000), wk = 0.0034130 k( 73) = ( 0.2195122 0.3802063 -0.0000000), wk = 0.0034130 k( 74) = ( 0.2113821 0.3661246 -0.0000000), wk = 0.0034130 k( 75) = ( 0.2032520 0.3520428 -0.0000000), wk = 0.0034130 k( 76) = ( 0.1951219 0.3379611 -0.0000000), wk = 0.0034130 k( 77) = ( 0.1869919 0.3238794 -0.0000000), wk = 0.0034130 k( 78) = ( 0.1788618 0.3097977 -0.0000000), wk = 0.0034130 k( 79) = ( 0.1707317 0.2957160 -0.0000000), wk = 0.0034130 k( 80) = ( 0.1626016 0.2816343 -0.0000000), wk = 0.0034130 k( 81) = ( 0.1544715 0.2675526 -0.0000000), wk = 0.0034130 k( 82) = ( 0.1463415 0.2534708 -0.0000000), wk = 0.0034130 k( 83) = ( 0.1382114 0.2393891 -0.0000000), wk = 0.0034130 k( 84) = ( 0.1300813 0.2253074 -0.0000000), wk = 0.0034130 k( 85) = ( 0.1219512 0.2112257 -0.0000000), wk = 0.0034130 k( 86) = ( 0.1138211 0.1971440 -0.0000000), wk = 0.0034130 k( 87) = ( 0.1056911 0.1830623 -0.0000000), wk = 0.0034130 k( 88) = ( 0.0975610 0.1689806 -0.0000000), wk = 0.0034130 k( 89) = ( 0.0894309 0.1548988 -0.0000000), wk = 0.0034130 k( 90) = ( 0.0813008 0.1408171 -0.0000000), wk = 0.0034130 k( 91) = ( 0.0731707 0.1267354 -0.0000000), wk = 0.0034130 k( 92) = ( 0.0650407 0.1126537 -0.0000000), wk = 0.0034130 k( 93) = ( 0.0569106 0.0985720 -0.0000000), wk = 0.0034130 k( 94) = ( 0.0487805 0.0844903 -0.0000000), wk = 0.0034130 k( 95) = ( 0.0406504 0.0704086 -0.0000000), wk = 0.0034130 k( 96) = ( 0.0325203 0.0563269 -0.0000000), wk = 0.0034130 k( 97) = ( 0.0243902 0.0422451 -0.0000000), wk = 0.0034130 k( 98) = ( 0.0162602 0.0281634 -0.0000000), wk = 0.0034130 k( 99) = ( 0.0081301 0.0140817 -0.0000000), wk = 0.0034130 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 102) = ( 0.0000000 0.0000000 0.0164311), wk = 0.0034130 k( 103) = ( 0.0000000 0.0000000 0.0328623), wk = 0.0034130 k( 104) = ( 0.0000000 0.0000000 0.0492934), wk = 0.0034130 k( 105) = ( 0.0000000 0.0000000 0.0657245), wk = 0.0034130 k( 106) = ( 0.0000000 0.0000000 0.0821556), wk = 0.0034130 k( 107) = ( 0.0000000 0.0000000 0.0985868), wk = 0.0034130 k( 108) = ( 0.0000000 0.0000000 0.1150179), wk = 0.0034130 k( 109) = ( 0.0000000 0.0000000 0.1314490), wk = 0.0034130 k( 110) = ( 0.0000000 0.0000000 0.1478802), wk = 0.0034130 k( 111) = ( 0.0000000 0.0000000 0.1643113), wk = 0.0034130 k( 112) = ( 0.0000000 0.0000000 0.1807424), wk = 0.0034130 k( 113) = ( 0.0000000 0.0000000 0.1971735), wk = 0.0034130 k( 114) = ( 0.0000000 0.0000000 0.2136047), wk = 0.0034130 k( 115) = ( 0.0000000 0.0000000 0.2300358), wk = 0.0034130 k( 116) = ( 0.0000000 0.0000000 0.2464669), wk = 0.0034130 k( 117) = ( 0.0000000 0.0000000 0.2628981), wk = 0.0034130 k( 118) = ( 0.0000000 0.0000000 0.2793292), wk = 0.0034130 k( 119) = ( 0.0000000 0.0000000 0.2957603), wk = 0.0034130 k( 120) = ( 0.0000000 0.0000000 0.3121914), wk = 0.0034130 k( 121) = ( 0.0000000 0.0000000 0.3286226), wk = 0.0034130 k( 122) = ( 0.0000000 0.0000000 0.3450537), wk = 0.0034130 k( 123) = ( 0.0000000 0.0000000 0.3614848), wk = 0.0034130 k( 124) = ( 0.0000000 0.0000000 0.3779160), wk = 0.0034130 k( 125) = ( 0.0000000 0.0000000 0.3943471), wk = 0.0034130 k( 126) = ( 0.0000000 0.0000000 0.4107782), wk = 0.0034130 k( 127) = ( 0.0000000 0.0000000 0.4272093), wk = 0.0034130 k( 128) = ( 0.0000000 0.0000000 0.4436405), wk = 0.0034130 k( 129) = ( 0.0000000 0.0000000 0.4600716), wk = 0.0034130 k( 130) = ( 0.0000000 0.0000000 0.4765027), wk = 0.0034130 k( 131) = ( 0.0000000 0.0000000 0.4929339), wk = 0.0034130 k( 132) = ( 0.0000000 0.0000000 0.4929339), wk = 0.0034130 k( 133) = ( 0.0142857 0.0082479 0.4929339), wk = 0.0034130 k( 134) = ( 0.0285714 0.0164957 0.4929339), wk = 0.0034130 k( 135) = ( 0.0428571 0.0247436 0.4929339), wk = 0.0034130 k( 136) = ( 0.0571429 0.0329914 0.4929339), wk = 0.0034130 k( 137) = ( 0.0714286 0.0412393 0.4929339), wk = 0.0034130 k( 138) = ( 0.0857143 0.0494872 0.4929339), wk = 0.0034130 k( 139) = ( 0.1000000 0.0577350 0.4929339), wk = 0.0034130 k( 140) = ( 0.1142857 0.0659829 0.4929339), wk = 0.0034130 k( 141) = ( 0.1285714 0.0742307 0.4929339), wk = 0.0034130 k( 142) = ( 0.1428571 0.0824786 0.4929339), wk = 0.0034130 k( 143) = ( 0.1571429 0.0907265 0.4929339), wk = 0.0034130 k( 144) = ( 0.1714286 0.0989743 0.4929339), wk = 0.0034130 k( 145) = ( 0.1857143 0.1072222 0.4929339), wk = 0.0034130 k( 146) = ( 0.2000000 0.1154701 0.4929339), wk = 0.0034130 k( 147) = ( 0.2142857 0.1237179 0.4929339), wk = 0.0034130 k( 148) = ( 0.2285714 0.1319658 0.4929339), wk = 0.0034130 k( 149) = ( 0.2428571 0.1402136 0.4929339), wk = 0.0034130 k( 150) = ( 0.2571429 0.1484615 0.4929339), wk = 0.0034130 k( 151) = ( 0.2714286 0.1567094 0.4929339), wk = 0.0034130 k( 152) = ( 0.2857143 0.1649572 0.4929339), wk = 0.0034130 k( 153) = ( 0.3000000 0.1732051 0.4929339), wk = 0.0034130 k( 154) = ( 0.3142857 0.1814529 0.4929339), wk = 0.0034130 k( 155) = ( 0.3285714 0.1897008 0.4929339), wk = 0.0034130 k( 156) = ( 0.3428571 0.1979487 0.4929339), wk = 0.0034130 k( 157) = ( 0.3571429 0.2061965 0.4929339), wk = 0.0034130 k( 158) = ( 0.3714286 0.2144444 0.4929339), wk = 0.0034130 k( 159) = ( 0.3857143 0.2226922 0.4929339), wk = 0.0034130 k( 160) = ( 0.4000000 0.2309401 0.4929339), wk = 0.0034130 k( 161) = ( 0.4142857 0.2391880 0.4929339), wk = 0.0034130 k( 162) = ( 0.4285714 0.2474358 0.4929339), wk = 0.0034130 k( 163) = ( 0.4428571 0.2556837 0.4929339), wk = 0.0034130 k( 164) = ( 0.4571429 0.2639316 0.4929339), wk = 0.0034130 k( 165) = ( 0.4714286 0.2721794 0.4929339), wk = 0.0034130 k( 166) = ( 0.4857143 0.2804273 0.4929339), wk = 0.0034130 k( 167) = ( 0.5000000 0.2886751 0.4929339), wk = 0.0034130 k( 168) = ( 0.5000000 0.2886751 0.4929339), wk = 0.0034130 k( 169) = ( 0.4920635 0.3024216 0.4929339), wk = 0.0034130 k( 170) = ( 0.4841270 0.3161680 0.4929339), wk = 0.0034130 k( 171) = ( 0.4761905 0.3299144 0.4929339), wk = 0.0034130 k( 172) = ( 0.4682540 0.3436609 0.4929339), wk = 0.0034130 k( 173) = ( 0.4603175 0.3574073 0.4929339), wk = 0.0034130 k( 174) = ( 0.4523810 0.3711537 0.4929339), wk = 0.0034130 k( 175) = ( 0.4444444 0.3849002 0.4929339), wk = 0.0034130 k( 176) = ( 0.4365079 0.3986466 0.4929339), wk = 0.0034130 k( 177) = ( 0.4285714 0.4123930 0.4929339), wk = 0.0034130 k( 178) = ( 0.4206349 0.4261395 0.4929339), wk = 0.0034130 k( 179) = ( 0.4126984 0.4398859 0.4929339), wk = 0.0034130 k( 180) = ( 0.4047619 0.4536324 0.4929339), wk = 0.0034130 k( 181) = ( 0.3968254 0.4673788 0.4929339), wk = 0.0034130 k( 182) = ( 0.3888889 0.4811252 0.4929339), wk = 0.0034130 k( 183) = ( 0.3809524 0.4948717 0.4929339), wk = 0.0034130 k( 184) = ( 0.3730159 0.5086181 0.4929339), wk = 0.0034130 k( 185) = ( 0.3650794 0.5223645 0.4929339), wk = 0.0034130 k( 186) = ( 0.3571429 0.5361110 0.4929339), wk = 0.0034130 k( 187) = ( 0.3492063 0.5498574 0.4929339), wk = 0.0034130 k( 188) = ( 0.3412698 0.5636038 0.4929339), wk = 0.0034130 k( 189) = ( 0.3333333 0.5773503 0.4929339), wk = 0.0034130 k( 190) = ( 0.3333333 0.5773503 0.4929339), wk = 0.0034130 k( 191) = ( 0.3252032 0.5632686 0.4929339), wk = 0.0034130 k( 192) = ( 0.3170732 0.5491868 0.4929339), wk = 0.0034130 k( 193) = ( 0.3089431 0.5351051 0.4929339), wk = 0.0034130 k( 194) = ( 0.3008130 0.5210234 0.4929339), wk = 0.0034130 k( 195) = ( 0.2926829 0.5069417 0.4929339), wk = 0.0034130 k( 196) = ( 0.2845529 0.4928600 0.4929339), wk = 0.0034130 k( 197) = ( 0.2764228 0.4787783 0.4929339), wk = 0.0034130 k( 198) = ( 0.2682927 0.4646966 0.4929339), wk = 0.0034130 k( 199) = ( 0.2601626 0.4506148 0.4929339), wk = 0.0034130 k( 200) = ( 0.2520325 0.4365331 0.4929339), wk = 0.0034130 k( 201) = ( 0.2439024 0.4224514 0.4929339), wk = 0.0034130 k( 202) = ( 0.2357724 0.4083697 0.4929339), wk = 0.0034130 k( 203) = ( 0.2276423 0.3942880 0.4929339), wk = 0.0034130 k( 204) = ( 0.2195122 0.3802063 0.4929339), wk = 0.0034130 k( 205) = ( 0.2113821 0.3661246 0.4929339), wk = 0.0034130 k( 206) = ( 0.2032520 0.3520428 0.4929339), wk = 0.0034130 k( 207) = ( 0.1951219 0.3379611 0.4929339), wk = 0.0034130 k( 208) = ( 0.1869919 0.3238794 0.4929339), wk = 0.0034130 k( 209) = ( 0.1788618 0.3097977 0.4929339), wk = 0.0034130 k( 210) = ( 0.1707317 0.2957160 0.4929339), wk = 0.0034130 k( 211) = ( 0.1626016 0.2816343 0.4929339), wk = 0.0034130 k( 212) = ( 0.1544715 0.2675526 0.4929339), wk = 0.0034130 k( 213) = ( 0.1463415 0.2534708 0.4929339), wk = 0.0034130 k( 214) = ( 0.1382114 0.2393891 0.4929339), wk = 0.0034130 k( 215) = ( 0.1300813 0.2253074 0.4929339), wk = 0.0034130 k( 216) = ( 0.1219512 0.2112257 0.4929339), wk = 0.0034130 k( 217) = ( 0.1138211 0.1971440 0.4929339), wk = 0.0034130 k( 218) = ( 0.1056911 0.1830623 0.4929339), wk = 0.0034130 k( 219) = ( 0.0975610 0.1689806 0.4929339), wk = 0.0034130 k( 220) = ( 0.0894309 0.1548988 0.4929339), wk = 0.0034130 k( 221) = ( 0.0813008 0.1408171 0.4929339), wk = 0.0034130 k( 222) = ( 0.0731707 0.1267354 0.4929339), wk = 0.0034130 k( 223) = ( 0.0650407 0.1126537 0.4929339), wk = 0.0034130 k( 224) = ( 0.0569106 0.0985720 0.4929339), wk = 0.0034130 k( 225) = ( 0.0487805 0.0844903 0.4929339), wk = 0.0034130 k( 226) = ( 0.0406504 0.0704086 0.4929339), wk = 0.0034130 k( 227) = ( 0.0325203 0.0563269 0.4929339), wk = 0.0034130 k( 228) = ( 0.0243902 0.0422451 0.4929339), wk = 0.0034130 k( 229) = ( 0.0162602 0.0281634 0.4929339), wk = 0.0034130 k( 230) = ( 0.0081301 0.0140817 0.4929339), wk = 0.0034130 k( 231) = ( 0.0000000 0.0000000 0.4929339), wk = 0.0034130 k( 232) = ( 0.5000000 0.2886751 0.4929339), wk = 0.0034130 k( 233) = ( 0.5000000 0.2886751 0.4765027), wk = 0.0034130 k( 234) = ( 0.5000000 0.2886751 0.4600716), wk = 0.0034130 k( 235) = ( 0.5000000 0.2886751 0.4436405), wk = 0.0034130 k( 236) = ( 0.5000000 0.2886751 0.4272093), wk = 0.0034130 k( 237) = ( 0.5000000 0.2886751 0.4107782), wk = 0.0034130 k( 238) = ( 0.5000000 0.2886751 0.3943471), wk = 0.0034130 k( 239) = ( 0.5000000 0.2886751 0.3779160), wk = 0.0034130 k( 240) = ( 0.5000000 0.2886751 0.3614848), wk = 0.0034130 k( 241) = ( 0.5000000 0.2886751 0.3450537), wk = 0.0034130 k( 242) = ( 0.5000000 0.2886751 0.3286226), wk = 0.0034130 k( 243) = ( 0.5000000 0.2886751 0.3121914), wk = 0.0034130 k( 244) = ( 0.5000000 0.2886751 0.2957603), wk = 0.0034130 k( 245) = ( 0.5000000 0.2886751 0.2793292), wk = 0.0034130 k( 246) = ( 0.5000000 0.2886751 0.2628981), wk = 0.0034130 k( 247) = ( 0.5000000 0.2886751 0.2464669), wk = 0.0034130 k( 248) = ( 0.5000000 0.2886751 0.2300358), wk = 0.0034130 k( 249) = ( 0.5000000 0.2886751 0.2136047), wk = 0.0034130 k( 250) = ( 0.5000000 0.2886751 0.1971735), wk = 0.0034130 k( 251) = ( 0.5000000 0.2886751 0.1807424), wk = 0.0034130 k( 252) = ( 0.5000000 0.2886751 0.1643113), wk = 0.0034130 k( 253) = ( 0.5000000 0.2886751 0.1478802), wk = 0.0034130 k( 254) = ( 0.5000000 0.2886751 0.1314490), wk = 0.0034130 k( 255) = ( 0.5000000 0.2886751 0.1150179), wk = 0.0034130 k( 256) = ( 0.5000000 0.2886751 0.0985868), wk = 0.0034130 k( 257) = ( 0.5000000 0.2886751 0.0821556), wk = 0.0034130 k( 258) = ( 0.5000000 0.2886751 0.0657245), wk = 0.0034130 k( 259) = ( 0.5000000 0.2886751 0.0492934), wk = 0.0034130 k( 260) = ( 0.5000000 0.2886751 0.0328623), wk = 0.0034130 k( 261) = ( 0.5000000 0.2886751 0.0164311), wk = 0.0034130 k( 262) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034130 k( 263) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034130 k( 264) = ( 0.3333333 0.5773503 0.0164311), wk = 0.0034130 k( 265) = ( 0.3333333 0.5773503 0.0328623), wk = 0.0034130 k( 266) = ( 0.3333333 0.5773503 0.0492934), wk = 0.0034130 k( 267) = ( 0.3333333 0.5773503 0.0657245), wk = 0.0034130 k( 268) = ( 0.3333333 0.5773503 0.0821556), wk = 0.0034130 k( 269) = ( 0.3333333 0.5773503 0.0985868), wk = 0.0034130 k( 270) = ( 0.3333333 0.5773503 0.1150179), wk = 0.0034130 k( 271) = ( 0.3333333 0.5773503 0.1314490), wk = 0.0034130 k( 272) = ( 0.3333333 0.5773503 0.1478802), wk = 0.0034130 k( 273) = ( 0.3333333 0.5773503 0.1643113), wk = 0.0034130 k( 274) = ( 0.3333333 0.5773503 0.1807424), wk = 0.0034130 k( 275) = ( 0.3333333 0.5773503 0.1971735), wk = 0.0034130 k( 276) = ( 0.3333333 0.5773503 0.2136047), wk = 0.0034130 k( 277) = ( 0.3333333 0.5773503 0.2300358), wk = 0.0034130 k( 278) = ( 0.3333333 0.5773503 0.2464669), wk = 0.0034130 k( 279) = ( 0.3333333 0.5773503 0.2628981), wk = 0.0034130 k( 280) = ( 0.3333333 0.5773503 0.2793292), wk = 0.0034130 k( 281) = ( 0.3333333 0.5773503 0.2957603), wk = 0.0034130 k( 282) = ( 0.3333333 0.5773503 0.3121914), wk = 0.0034130 k( 283) = ( 0.3333333 0.5773503 0.3286226), wk = 0.0034130 k( 284) = ( 0.3333333 0.5773503 0.3450537), wk = 0.0034130 k( 285) = ( 0.3333333 0.5773503 0.3614848), wk = 0.0034130 k( 286) = ( 0.3333333 0.5773503 0.3779160), wk = 0.0034130 k( 287) = ( 0.3333333 0.5773503 0.3943471), wk = 0.0034130 k( 288) = ( 0.3333333 0.5773503 0.4107782), wk = 0.0034130 k( 289) = ( 0.3333333 0.5773503 0.4272093), wk = 0.0034130 k( 290) = ( 0.3333333 0.5773503 0.4436405), wk = 0.0034130 k( 291) = ( 0.3333333 0.5773503 0.4600716), wk = 0.0034130 k( 292) = ( 0.3333333 0.5773503 0.4765027), wk = 0.0034130 k( 293) = ( 0.3333333 0.5773503 0.4929339), wk = 0.0034130 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 2) = ( 0.0142857 -0.0000000 -0.0000000), wk = 0.0034130 k( 3) = ( 0.0285714 -0.0000000 -0.0000000), wk = 0.0034130 k( 4) = ( 0.0428571 -0.0000000 -0.0000000), wk = 0.0034130 k( 5) = ( 0.0571429 -0.0000000 -0.0000000), wk = 0.0034130 k( 6) = ( 0.0714286 -0.0000000 0.0000000), wk = 0.0034130 k( 7) = ( 0.0857143 -0.0000000 -0.0000000), wk = 0.0034130 k( 8) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0034130 k( 9) = ( 0.1142857 -0.0000000 -0.0000000), wk = 0.0034130 k( 10) = ( 0.1285714 -0.0000000 -0.0000000), wk = 0.0034130 k( 11) = ( 0.1428571 -0.0000000 0.0000000), wk = 0.0034130 k( 12) = ( 0.1571429 -0.0000000 -0.0000000), wk = 0.0034130 k( 13) = ( 0.1714286 -0.0000000 -0.0000000), wk = 0.0034130 k( 14) = ( 0.1857143 -0.0000000 -0.0000000), wk = 0.0034130 k( 15) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0034130 k( 16) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0034130 k( 17) = ( 0.2285714 -0.0000000 -0.0000000), wk = 0.0034130 k( 18) = ( 0.2428571 -0.0000000 -0.0000000), wk = 0.0034130 k( 19) = ( 0.2571429 -0.0000000 -0.0000000), wk = 0.0034130 k( 20) = ( 0.2714286 -0.0000000 -0.0000000), wk = 0.0034130 k( 21) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0034130 k( 22) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0034130 k( 23) = ( 0.3142857 -0.0000000 -0.0000000), wk = 0.0034130 k( 24) = ( 0.3285714 -0.0000000 -0.0000000), wk = 0.0034130 k( 25) = ( 0.3428571 -0.0000000 -0.0000000), wk = 0.0034130 k( 26) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0034130 k( 27) = ( 0.3714286 -0.0000000 -0.0000000), wk = 0.0034130 k( 28) = ( 0.3857143 -0.0000000 -0.0000000), wk = 0.0034130 k( 29) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0034130 k( 30) = ( 0.4142857 -0.0000000 -0.0000000), wk = 0.0034130 k( 31) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0034130 k( 32) = ( 0.4428571 -0.0000000 -0.0000000), wk = 0.0034130 k( 33) = ( 0.4571429 -0.0000000 -0.0000000), wk = 0.0034130 k( 34) = ( 0.4714286 -0.0000000 -0.0000000), wk = 0.0034130 k( 35) = ( 0.4857143 -0.0000000 -0.0000000), wk = 0.0034130 k( 36) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034130 k( 37) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034130 k( 38) = ( 0.4920635 0.0158730 -0.0000000), wk = 0.0034130 k( 39) = ( 0.4841270 0.0317460 -0.0000000), wk = 0.0034130 k( 40) = ( 0.4761905 0.0476190 -0.0000000), wk = 0.0034130 k( 41) = ( 0.4682540 0.0634921 -0.0000000), wk = 0.0034130 k( 42) = ( 0.4603175 0.0793651 -0.0000000), wk = 0.0034130 k( 43) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0034130 k( 44) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0034130 k( 45) = ( 0.4365079 0.1269841 0.0000000), wk = 0.0034130 k( 46) = ( 0.4285714 0.1428571 -0.0000000), wk = 0.0034130 k( 47) = ( 0.4206349 0.1587302 0.0000000), wk = 0.0034130 k( 48) = ( 0.4126984 0.1746032 -0.0000000), wk = 0.0034130 k( 49) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0034130 k( 50) = ( 0.3968254 0.2063492 0.0000000), wk = 0.0034130 k( 51) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0034130 k( 52) = ( 0.3809524 0.2380952 -0.0000000), wk = 0.0034130 k( 53) = ( 0.3730159 0.2539683 -0.0000000), wk = 0.0034130 k( 54) = ( 0.3650794 0.2698413 0.0000000), wk = 0.0034130 k( 55) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0034130 k( 56) = ( 0.3492063 0.3015873 -0.0000000), wk = 0.0034130 k( 57) = ( 0.3412698 0.3174603 -0.0000000), wk = 0.0034130 k( 58) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034130 k( 59) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034130 k( 60) = ( 0.3252032 0.3252032 0.0000000), wk = 0.0034130 k( 61) = ( 0.3170732 0.3170732 -0.0000000), wk = 0.0034130 k( 62) = ( 0.3089431 0.3089431 -0.0000000), wk = 0.0034130 k( 63) = ( 0.3008130 0.3008130 -0.0000000), wk = 0.0034130 k( 64) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0034130 k( 65) = ( 0.2845529 0.2845528 -0.0000000), wk = 0.0034130 k( 66) = ( 0.2764228 0.2764228 -0.0000000), wk = 0.0034130 k( 67) = ( 0.2682927 0.2682927 -0.0000000), wk = 0.0034130 k( 68) = ( 0.2601626 0.2601626 -0.0000000), wk = 0.0034130 k( 69) = ( 0.2520325 0.2520325 -0.0000000), wk = 0.0034130 k( 70) = ( 0.2439024 0.2439024 0.0000000), wk = 0.0034130 k( 71) = ( 0.2357724 0.2357724 0.0000000), wk = 0.0034130 k( 72) = ( 0.2276423 0.2276423 -0.0000000), wk = 0.0034130 k( 73) = ( 0.2195122 0.2195122 -0.0000000), wk = 0.0034130 k( 74) = ( 0.2113821 0.2113821 -0.0000000), wk = 0.0034130 k( 75) = ( 0.2032520 0.2032520 -0.0000000), wk = 0.0034130 k( 76) = ( 0.1951219 0.1951219 -0.0000000), wk = 0.0034130 k( 77) = ( 0.1869919 0.1869919 -0.0000000), wk = 0.0034130 k( 78) = ( 0.1788618 0.1788618 -0.0000000), wk = 0.0034130 k( 79) = ( 0.1707317 0.1707317 -0.0000000), wk = 0.0034130 k( 80) = ( 0.1626016 0.1626016 -0.0000000), wk = 0.0034130 k( 81) = ( 0.1544715 0.1544715 -0.0000000), wk = 0.0034130 k( 82) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0034130 k( 83) = ( 0.1382114 0.1382114 -0.0000000), wk = 0.0034130 k( 84) = ( 0.1300813 0.1300813 -0.0000000), wk = 0.0034130 k( 85) = ( 0.1219512 0.1219512 0.0000000), wk = 0.0034130 k( 86) = ( 0.1138211 0.1138211 -0.0000000), wk = 0.0034130 k( 87) = ( 0.1056911 0.1056911 -0.0000000), wk = 0.0034130 k( 88) = ( 0.0975610 0.0975610 -0.0000000), wk = 0.0034130 k( 89) = ( 0.0894309 0.0894309 -0.0000000), wk = 0.0034130 k( 90) = ( 0.0813008 0.0813008 -0.0000000), wk = 0.0034130 k( 91) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0034130 k( 92) = ( 0.0650407 0.0650407 -0.0000000), wk = 0.0034130 k( 93) = ( 0.0569106 0.0569106 -0.0000000), wk = 0.0034130 k( 94) = ( 0.0487805 0.0487805 -0.0000000), wk = 0.0034130 k( 95) = ( 0.0406504 0.0406504 -0.0000000), wk = 0.0034130 k( 96) = ( 0.0325203 0.0325203 -0.0000000), wk = 0.0034130 k( 97) = ( 0.0243902 0.0243902 -0.0000000), wk = 0.0034130 k( 98) = ( 0.0162602 0.0162602 -0.0000000), wk = 0.0034130 k( 99) = ( 0.0081301 0.0081301 -0.0000000), wk = 0.0034130 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 102) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0034130 k( 103) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0034130 k( 104) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0034130 k( 105) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0034130 k( 106) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0034130 k( 107) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0034130 k( 108) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0034130 k( 109) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0034130 k( 110) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0034130 k( 111) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034130 k( 112) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0034130 k( 113) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0034130 k( 114) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0034130 k( 115) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0034130 k( 116) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034130 k( 117) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0034130 k( 118) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0034130 k( 119) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0034130 k( 120) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0034130 k( 121) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034130 k( 122) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0034130 k( 123) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0034130 k( 124) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0034130 k( 125) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0034130 k( 126) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0034130 k( 127) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0034130 k( 128) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0034130 k( 129) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0034130 k( 130) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0034130 k( 131) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034130 k( 132) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034130 k( 133) = ( 0.0142857 -0.0000000 0.5000000), wk = 0.0034130 k( 134) = ( 0.0285714 -0.0000000 0.5000000), wk = 0.0034130 k( 135) = ( 0.0428571 -0.0000000 0.5000000), wk = 0.0034130 k( 136) = ( 0.0571429 -0.0000000 0.5000000), wk = 0.0034130 k( 137) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0034130 k( 138) = ( 0.0857143 -0.0000000 0.5000000), wk = 0.0034130 k( 139) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0034130 k( 140) = ( 0.1142857 -0.0000000 0.5000000), wk = 0.0034130 k( 141) = ( 0.1285714 -0.0000000 0.5000000), wk = 0.0034130 k( 142) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0034130 k( 143) = ( 0.1571429 -0.0000000 0.5000000), wk = 0.0034130 k( 144) = ( 0.1714286 -0.0000000 0.5000000), wk = 0.0034130 k( 145) = ( 0.1857143 -0.0000000 0.5000000), wk = 0.0034130 k( 146) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0034130 k( 147) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0034130 k( 148) = ( 0.2285714 -0.0000000 0.5000000), wk = 0.0034130 k( 149) = ( 0.2428571 -0.0000000 0.5000000), wk = 0.0034130 k( 150) = ( 0.2571429 -0.0000000 0.5000000), wk = 0.0034130 k( 151) = ( 0.2714286 -0.0000000 0.5000000), wk = 0.0034130 k( 152) = ( 0.2857143 -0.0000000 0.5000000), wk = 0.0034130 k( 153) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0034130 k( 154) = ( 0.3142857 -0.0000000 0.5000000), wk = 0.0034130 k( 155) = ( 0.3285714 -0.0000000 0.5000000), wk = 0.0034130 k( 156) = ( 0.3428571 -0.0000000 0.5000000), wk = 0.0034130 k( 157) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0034130 k( 158) = ( 0.3714286 -0.0000000 0.5000000), wk = 0.0034130 k( 159) = ( 0.3857143 -0.0000000 0.5000000), wk = 0.0034130 k( 160) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0034130 k( 161) = ( 0.4142857 -0.0000000 0.5000000), wk = 0.0034130 k( 162) = ( 0.4285714 -0.0000000 0.5000000), wk = 0.0034130 k( 163) = ( 0.4428571 -0.0000000 0.5000000), wk = 0.0034130 k( 164) = ( 0.4571429 -0.0000000 0.5000000), wk = 0.0034130 k( 165) = ( 0.4714286 -0.0000000 0.5000000), wk = 0.0034130 k( 166) = ( 0.4857143 -0.0000000 0.5000000), wk = 0.0034130 k( 167) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034130 k( 168) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034130 k( 169) = ( 0.4920635 0.0158730 0.5000000), wk = 0.0034130 k( 170) = ( 0.4841270 0.0317460 0.5000000), wk = 0.0034130 k( 171) = ( 0.4761905 0.0476190 0.5000000), wk = 0.0034130 k( 172) = ( 0.4682540 0.0634921 0.5000000), wk = 0.0034130 k( 173) = ( 0.4603175 0.0793651 0.5000000), wk = 0.0034130 k( 174) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0034130 k( 175) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0034130 k( 176) = ( 0.4365079 0.1269841 0.5000000), wk = 0.0034130 k( 177) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0034130 k( 178) = ( 0.4206349 0.1587302 0.5000000), wk = 0.0034130 k( 179) = ( 0.4126984 0.1746032 0.5000000), wk = 0.0034130 k( 180) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0034130 k( 181) = ( 0.3968254 0.2063492 0.5000000), wk = 0.0034130 k( 182) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0034130 k( 183) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0034130 k( 184) = ( 0.3730159 0.2539683 0.5000000), wk = 0.0034130 k( 185) = ( 0.3650794 0.2698413 0.5000000), wk = 0.0034130 k( 186) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0034130 k( 187) = ( 0.3492063 0.3015873 0.5000000), wk = 0.0034130 k( 188) = ( 0.3412698 0.3174603 0.5000000), wk = 0.0034130 k( 189) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034130 k( 190) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034130 k( 191) = ( 0.3252032 0.3252032 0.5000000), wk = 0.0034130 k( 192) = ( 0.3170732 0.3170732 0.5000000), wk = 0.0034130 k( 193) = ( 0.3089431 0.3089431 0.5000000), wk = 0.0034130 k( 194) = ( 0.3008130 0.3008130 0.5000000), wk = 0.0034130 k( 195) = ( 0.2926829 0.2926829 0.5000000), wk = 0.0034130 k( 196) = ( 0.2845529 0.2845528 0.5000000), wk = 0.0034130 k( 197) = ( 0.2764228 0.2764228 0.5000000), wk = 0.0034130 k( 198) = ( 0.2682927 0.2682927 0.5000000), wk = 0.0034130 k( 199) = ( 0.2601626 0.2601626 0.5000000), wk = 0.0034130 k( 200) = ( 0.2520325 0.2520325 0.5000000), wk = 0.0034130 k( 201) = ( 0.2439024 0.2439024 0.5000000), wk = 0.0034130 k( 202) = ( 0.2357724 0.2357724 0.5000000), wk = 0.0034130 k( 203) = ( 0.2276423 0.2276423 0.5000000), wk = 0.0034130 k( 204) = ( 0.2195122 0.2195122 0.5000000), wk = 0.0034130 k( 205) = ( 0.2113821 0.2113821 0.5000000), wk = 0.0034130 k( 206) = ( 0.2032520 0.2032520 0.5000000), wk = 0.0034130 k( 207) = ( 0.1951219 0.1951219 0.5000000), wk = 0.0034130 k( 208) = ( 0.1869919 0.1869919 0.5000000), wk = 0.0034130 k( 209) = ( 0.1788618 0.1788618 0.5000000), wk = 0.0034130 k( 210) = ( 0.1707317 0.1707317 0.5000000), wk = 0.0034130 k( 211) = ( 0.1626016 0.1626016 0.5000000), wk = 0.0034130 k( 212) = ( 0.1544715 0.1544715 0.5000000), wk = 0.0034130 k( 213) = ( 0.1463415 0.1463415 0.5000000), wk = 0.0034130 k( 214) = ( 0.1382114 0.1382114 0.5000000), wk = 0.0034130 k( 215) = ( 0.1300813 0.1300813 0.5000000), wk = 0.0034130 k( 216) = ( 0.1219512 0.1219512 0.5000000), wk = 0.0034130 k( 217) = ( 0.1138211 0.1138211 0.5000000), wk = 0.0034130 k( 218) = ( 0.1056911 0.1056911 0.5000000), wk = 0.0034130 k( 219) = ( 0.0975610 0.0975610 0.5000000), wk = 0.0034130 k( 220) = ( 0.0894309 0.0894309 0.5000000), wk = 0.0034130 k( 221) = ( 0.0813008 0.0813008 0.5000000), wk = 0.0034130 k( 222) = ( 0.0731707 0.0731707 0.5000000), wk = 0.0034130 k( 223) = ( 0.0650407 0.0650407 0.5000000), wk = 0.0034130 k( 224) = ( 0.0569106 0.0569106 0.5000000), wk = 0.0034130 k( 225) = ( 0.0487805 0.0487805 0.5000000), wk = 0.0034130 k( 226) = ( 0.0406504 0.0406504 0.5000000), wk = 0.0034130 k( 227) = ( 0.0325203 0.0325203 0.5000000), wk = 0.0034130 k( 228) = ( 0.0243902 0.0243902 0.5000000), wk = 0.0034130 k( 229) = ( 0.0162602 0.0162602 0.5000000), wk = 0.0034130 k( 230) = ( 0.0081301 0.0081301 0.5000000), wk = 0.0034130 k( 231) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034130 k( 232) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034130 k( 233) = ( 0.5000000 -0.0000000 0.4833333), wk = 0.0034130 k( 234) = ( 0.5000000 -0.0000000 0.4666667), wk = 0.0034130 k( 235) = ( 0.5000000 -0.0000000 0.4500000), wk = 0.0034130 k( 236) = ( 0.5000000 -0.0000000 0.4333333), wk = 0.0034130 k( 237) = ( 0.5000000 -0.0000000 0.4166667), wk = 0.0034130 k( 238) = ( 0.5000000 -0.0000000 0.4000000), wk = 0.0034130 k( 239) = ( 0.5000000 -0.0000000 0.3833333), wk = 0.0034130 k( 240) = ( 0.5000000 -0.0000000 0.3666667), wk = 0.0034130 k( 241) = ( 0.5000000 -0.0000000 0.3500000), wk = 0.0034130 k( 242) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0034130 k( 243) = ( 0.5000000 -0.0000000 0.3166667), wk = 0.0034130 k( 244) = ( 0.5000000 -0.0000000 0.3000000), wk = 0.0034130 k( 245) = ( 0.5000000 -0.0000000 0.2833333), wk = 0.0034130 k( 246) = ( 0.5000000 -0.0000000 0.2666667), wk = 0.0034130 k( 247) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0034130 k( 248) = ( 0.5000000 -0.0000000 0.2333333), wk = 0.0034130 k( 249) = ( 0.5000000 -0.0000000 0.2166667), wk = 0.0034130 k( 250) = ( 0.5000000 -0.0000000 0.2000000), wk = 0.0034130 k( 251) = ( 0.5000000 -0.0000000 0.1833333), wk = 0.0034130 k( 252) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0034130 k( 253) = ( 0.5000000 -0.0000000 0.1500000), wk = 0.0034130 k( 254) = ( 0.5000000 -0.0000000 0.1333333), wk = 0.0034130 k( 255) = ( 0.5000000 -0.0000000 0.1166667), wk = 0.0034130 k( 256) = ( 0.5000000 -0.0000000 0.1000000), wk = 0.0034130 k( 257) = ( 0.5000000 -0.0000000 0.0833333), wk = 0.0034130 k( 258) = ( 0.5000000 -0.0000000 0.0666667), wk = 0.0034130 k( 259) = ( 0.5000000 -0.0000000 0.0500000), wk = 0.0034130 k( 260) = ( 0.5000000 -0.0000000 0.0333333), wk = 0.0034130 k( 261) = ( 0.5000000 -0.0000000 0.0166667), wk = 0.0034130 k( 262) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034130 k( 263) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034130 k( 264) = ( 0.3333333 0.3333333 0.0166667), wk = 0.0034130 k( 265) = ( 0.3333333 0.3333333 0.0333333), wk = 0.0034130 k( 266) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0034130 k( 267) = ( 0.3333333 0.3333333 0.0666667), wk = 0.0034130 k( 268) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0034130 k( 269) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0034130 k( 270) = ( 0.3333333 0.3333333 0.1166667), wk = 0.0034130 k( 271) = ( 0.3333333 0.3333333 0.1333333), wk = 0.0034130 k( 272) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0034130 k( 273) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0034130 k( 274) = ( 0.3333333 0.3333333 0.1833333), wk = 0.0034130 k( 275) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0034130 k( 276) = ( 0.3333333 0.3333333 0.2166667), wk = 0.0034130 k( 277) = ( 0.3333333 0.3333333 0.2333333), wk = 0.0034130 k( 278) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0034130 k( 279) = ( 0.3333333 0.3333333 0.2666667), wk = 0.0034130 k( 280) = ( 0.3333333 0.3333333 0.2833333), wk = 0.0034130 k( 281) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0034130 k( 282) = ( 0.3333333 0.3333333 0.3166667), wk = 0.0034130 k( 283) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034130 k( 284) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0034130 k( 285) = ( 0.3333333 0.3333333 0.3666667), wk = 0.0034130 k( 286) = ( 0.3333333 0.3333333 0.3833333), wk = 0.0034130 k( 287) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0034130 k( 288) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0034130 k( 289) = ( 0.3333333 0.3333333 0.4333333), wk = 0.0034130 k( 290) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0034130 k( 291) = ( 0.3333333 0.3333333 0.4666667), wk = 0.0034130 k( 292) = ( 0.3333333 0.3333333 0.4833333), wk = 0.0034130 k( 293) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034130 Dense grid: 84873 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 30131 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 224, 58) NL pseudopotentials 0.42 Mb ( 112, 246) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2357) G-vector shells 0.01 Mb ( 1101) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.79 Mb ( 224, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.44 Mb ( 246, 2, 58) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./CS2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 5.1 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.5 secs Computing kpt #: 7 total cpu time spent up to now is 7.2 secs Computing kpt #: 8 total cpu time spent up to now is 8.0 secs Computing kpt #: 9 total cpu time spent up to now is 8.7 secs Computing kpt #: 10 total cpu time spent up to now is 9.4 secs Computing kpt #: 11 total cpu time spent up to now is 10.1 secs Computing kpt #: 12 total cpu time spent up to now is 10.8 secs Computing kpt #: 13 total cpu time spent up to now is 11.6 secs Computing kpt #: 14 total cpu time spent up to now is 12.3 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 13.9 secs Computing kpt #: 17 total cpu time spent up to now is 14.7 secs Computing kpt #: 18 total cpu time spent up to now is 15.6 secs Computing kpt #: 19 total cpu time spent up to now is 16.5 secs Computing kpt #: 20 total cpu time spent up to now is 17.4 secs Computing kpt #: 21 total cpu time spent up to now is 18.3 secs Computing kpt #: 22 total cpu time spent up to now is 19.2 secs Computing kpt #: 23 total cpu time spent up to now is 20.1 secs Computing kpt #: 24 total cpu time spent up to now is 21.1 secs Computing kpt #: 25 total cpu time spent up to now is 22.0 secs Computing kpt #: 26 total cpu time spent up to now is 22.9 secs Computing kpt #: 27 total cpu time spent up to now is 23.8 secs Computing kpt #: 28 total cpu time spent up to now is 24.7 secs Computing kpt #: 29 total cpu time spent up to now is 25.6 secs Computing kpt #: 30 total cpu time spent up to now is 26.6 secs Computing kpt #: 31 total cpu time spent up to now is 27.4 secs Computing kpt #: 32 total cpu time spent up to now is 28.3 secs Computing kpt #: 33 total cpu time spent up to now is 29.2 secs Computing kpt #: 34 total cpu time spent up to now is 30.2 secs Computing kpt #: 35 total cpu time spent up to now is 31.1 secs Computing kpt #: 36 total cpu time spent up to now is 32.0 secs Computing kpt #: 37 total cpu time spent up to now is 32.9 secs Computing kpt #: 38 total cpu time spent up to now is 33.8 secs Computing kpt #: 39 total cpu time spent up to now is 34.7 secs Computing kpt #: 40 total cpu time spent up to now is 35.6 secs Computing kpt #: 41 total cpu time spent up to now is 36.5 secs Computing kpt #: 42 total cpu time spent up to now is 37.4 secs Computing kpt #: 43 total cpu time spent up to now is 38.2 secs Computing kpt #: 44 total cpu time spent up to now is 39.1 secs Computing kpt #: 45 total cpu time spent up to now is 40.0 secs Computing kpt #: 46 total cpu time spent up to now is 40.9 secs Computing kpt #: 47 total cpu time spent up to now is 41.9 secs Computing kpt #: 48 total cpu time spent up to now is 42.8 secs Computing kpt #: 49 total cpu time spent up to now is 43.8 secs Computing kpt #: 50 total cpu time spent up to now is 44.7 secs Computing kpt #: 51 total cpu time spent up to now is 45.7 secs Computing kpt #: 52 total cpu time spent up to now is 46.7 secs Computing kpt #: 53 total cpu time spent up to now is 47.7 secs Computing kpt #: 54 total cpu time spent up to now is 48.7 secs Computing kpt #: 55 total cpu time spent up to now is 49.6 secs Computing kpt #: 56 total cpu time spent up to now is 50.8 secs Computing kpt #: 57 total cpu time spent up to now is 51.8 secs Computing kpt #: 58 total cpu time spent up to now is 52.8 secs Computing kpt #: 59 total cpu time spent up to now is 53.7 secs Computing kpt #: 60 total cpu time spent up to now is 54.7 secs Computing kpt #: 61 total cpu time spent up to now is 55.7 secs Computing kpt #: 62 total cpu time spent up to now is 56.6 secs Computing kpt #: 63 total cpu time spent up to now is 57.5 secs Computing kpt #: 64 total cpu time spent up to now is 58.4 secs Computing kpt #: 65 total cpu time spent up to now is 59.3 secs Computing kpt #: 66 total cpu time spent up to now is 60.3 secs Computing kpt #: 67 total cpu time spent up to now is 61.3 secs Computing kpt #: 68 total cpu time spent up to now is 62.2 secs Computing kpt #: 69 total cpu time spent up to now is 63.2 secs Computing kpt #: 70 total cpu time spent up to now is 64.1 secs Computing kpt #: 71 total cpu time spent up to now is 65.2 secs Computing kpt #: 72 total cpu time spent up to now is 66.2 secs Computing kpt #: 73 total cpu time spent up to now is 67.1 secs Computing kpt #: 74 total cpu time spent up to now is 68.3 secs Computing kpt #: 75 total cpu time spent up to now is 69.7 secs Computing kpt #: 76 total cpu time spent up to now is 70.8 secs Computing kpt #: 77 total cpu time spent up to now is 71.9 secs Computing kpt #: 78 total cpu time spent up to now is 73.0 secs Computing kpt #: 79 total cpu time spent up to now is 74.0 secs Computing kpt #: 80 total cpu time spent up to now is 75.0 secs Computing kpt #: 81 total cpu time spent up to now is 75.8 secs Computing kpt #: 82 total cpu time spent up to now is 76.6 secs Computing kpt #: 83 total cpu time spent up to now is 77.4 secs Computing kpt #: 84 total cpu time spent up to now is 78.1 secs Computing kpt #: 85 total cpu time spent up to now is 78.9 secs Computing kpt #: 86 total cpu time spent up to now is 79.7 secs Computing kpt #: 87 total cpu time spent up to now is 80.4 secs Computing kpt #: 88 total cpu time spent up to now is 81.1 secs Computing kpt #: 89 total cpu time spent up to now is 81.8 secs Computing kpt #: 90 total cpu time spent up to now is 82.5 secs Computing kpt #: 91 total cpu time spent up to now is 83.2 secs Computing kpt #: 92 total cpu time spent up to now is 84.0 secs Computing kpt #: 93 total cpu time spent up to now is 84.7 secs Computing kpt #: 94 total cpu time spent up to now is 85.4 secs Computing kpt #: 95 total cpu time spent up to now is 86.1 secs Computing kpt #: 96 total cpu time spent up to now is 86.9 secs Computing kpt #: 97 total cpu time spent up to now is 87.6 secs Computing kpt #: 98 total cpu time spent up to now is 88.3 secs Computing kpt #: 99 total cpu time spent up to now is 89.0 secs Computing kpt #: 100 total cpu time spent up to now is 89.7 secs Computing kpt #: 101 total cpu time spent up to now is 90.5 secs Computing kpt #: 102 total cpu time spent up to now is 91.2 secs Computing kpt #: 103 total cpu time spent up to now is 91.9 secs Computing kpt #: 104 total cpu time spent up to now is 92.7 secs Computing kpt #: 105 total cpu time spent up to now is 93.4 secs Computing kpt #: 106 total cpu time spent up to now is 94.1 secs Computing kpt #: 107 total cpu time spent up to now is 94.8 secs Computing kpt #: 108 total cpu time spent up to now is 95.6 secs Computing kpt #: 109 total cpu time spent up to now is 96.3 secs Computing kpt #: 110 total cpu time spent up to now is 97.1 secs Computing kpt #: 111 total cpu time spent up to now is 97.8 secs Computing kpt #: 112 total cpu time spent up to now is 98.5 secs Computing kpt #: 113 total cpu time spent up to now is 99.3 secs Computing kpt #: 114 total cpu time spent up to now is 100.1 secs Computing kpt #: 115 total cpu time spent up to now is 101.0 secs Computing kpt #: 116 total cpu time spent up to now is 101.8 secs Computing kpt #: 117 total cpu time spent up to now is 102.6 secs Computing kpt #: 118 total cpu time spent up to now is 103.5 secs Computing kpt #: 119 total cpu time spent up to now is 104.2 secs Computing kpt #: 120 total cpu time spent up to now is 105.0 secs Computing kpt #: 121 total cpu time spent up to now is 105.8 secs Computing kpt #: 122 total cpu time spent up to now is 106.6 secs Computing kpt #: 123 total cpu time spent up to now is 107.4 secs Computing kpt #: 124 total cpu time spent up to now is 108.2 secs Computing kpt #: 125 total cpu time spent up to now is 108.9 secs Computing kpt #: 126 total cpu time spent up to now is 109.6 secs Computing kpt #: 127 total cpu time spent up to now is 110.3 secs Computing kpt #: 128 total cpu time spent up to now is 111.0 secs Computing kpt #: 129 total cpu time spent up to now is 111.7 secs Computing kpt #: 130 total cpu time spent up to now is 112.5 secs Computing kpt #: 131 total cpu time spent up to now is 113.2 secs Computing kpt #: 132 total cpu time spent up to now is 113.9 secs Computing kpt #: 133 total cpu time spent up to now is 114.6 secs Computing kpt #: 134 total cpu time spent up to now is 115.3 secs Computing kpt #: 135 total cpu time spent up to now is 116.0 secs Computing kpt #: 136 total cpu time spent up to now is 116.8 secs Computing kpt #: 137 total cpu time spent up to now is 117.5 secs Computing kpt #: 138 total cpu time spent up to now is 118.2 secs Computing kpt #: 139 total cpu time spent up to now is 119.0 secs Computing kpt #: 140 total cpu time spent up to now is 119.7 secs Computing kpt #: 141 total cpu time spent up to now is 120.5 secs Computing kpt #: 142 total cpu time spent up to now is 121.3 secs Computing kpt #: 143 total cpu time spent up to now is 122.0 secs Computing kpt #: 144 total cpu time spent up to now is 122.8 secs Computing kpt #: 145 total cpu time spent up to now is 123.5 secs Computing kpt #: 146 total cpu time spent up to now is 124.2 secs Computing kpt #: 147 total cpu time spent up to now is 124.9 secs Computing kpt #: 148 total cpu time spent up to now is 125.7 secs Computing kpt #: 149 total cpu time spent up to now is 126.4 secs Computing kpt #: 150 total cpu time spent up to now is 127.1 secs Computing kpt #: 151 total cpu time spent up to now is 127.9 secs Computing kpt #: 152 total cpu time spent up to now is 128.6 secs Computing kpt #: 153 total cpu time spent up to now is 129.3 secs Computing kpt #: 154 total cpu time spent up to now is 130.1 secs Computing kpt #: 155 total cpu time spent up to now is 130.8 secs Computing kpt #: 156 total cpu time spent up to now is 131.5 secs Computing kpt #: 157 total cpu time spent up to now is 132.2 secs Computing kpt #: 158 total cpu time spent up to now is 132.9 secs Computing kpt #: 159 total cpu time spent up to now is 133.6 secs Computing kpt #: 160 total cpu time spent up to now is 134.3 secs Computing kpt #: 161 total cpu time spent up to now is 135.0 secs Computing kpt #: 162 total cpu time spent up to now is 135.7 secs Computing kpt #: 163 total cpu time spent up to now is 136.4 secs Computing kpt #: 164 total cpu time spent up to now is 137.1 secs Computing kpt #: 165 total cpu time spent up to now is 137.9 secs Computing kpt #: 166 total cpu time spent up to now is 138.6 secs Computing kpt #: 167 total cpu time spent up to now is 139.3 secs Computing kpt #: 168 total cpu time spent up to now is 140.0 secs Computing kpt #: 169 total cpu time spent up to now is 140.8 secs Computing kpt #: 170 total cpu time spent up to now is 141.5 secs Computing kpt #: 171 total cpu time spent up to now is 142.3 secs Computing kpt #: 172 total cpu time spent up to now is 142.9 secs Computing kpt #: 173 total cpu time spent up to now is 143.7 secs Computing kpt #: 174 total cpu time spent up to now is 144.4 secs Computing kpt #: 175 total cpu time spent up to now is 145.1 secs Computing kpt #: 176 total cpu time spent up to now is 145.8 secs Computing kpt #: 177 total cpu time spent up to now is 146.5 secs Computing kpt #: 178 total cpu time spent up to now is 147.2 secs Computing kpt #: 179 total cpu time spent up to now is 148.0 secs Computing kpt #: 180 total cpu time spent up to now is 148.7 secs Computing kpt #: 181 total cpu time spent up to now is 149.5 secs Computing kpt #: 182 total cpu time spent up to now is 150.4 secs Computing kpt #: 183 total cpu time spent up to now is 151.3 secs Computing kpt #: 184 total cpu time spent up to now is 152.2 secs Computing kpt #: 185 total cpu time spent up to now is 153.1 secs Computing kpt #: 186 total cpu time spent up to now is 154.3 secs Computing kpt #: 187 total cpu time spent up to now is 155.1 secs Computing kpt #: 188 total cpu time spent up to now is 156.3 secs Computing kpt #: 189 total cpu time spent up to now is 157.3 secs Computing kpt #: 190 total cpu time spent up to now is 158.4 secs Computing kpt #: 191 total cpu time spent up to now is 159.5 secs Computing kpt #: 192 total cpu time spent up to now is 160.6 secs Computing kpt #: 193 total cpu time spent up to now is 161.7 secs Computing kpt #: 194 total cpu time spent up to now is 162.7 secs Computing kpt #: 195 total cpu time spent up to now is 163.7 secs Computing kpt #: 196 total cpu time spent up to now is 164.7 secs Computing kpt #: 197 total cpu time spent up to now is 165.6 secs Computing kpt #: 198 total cpu time spent up to now is 166.4 secs Computing kpt #: 199 total cpu time spent up to now is 167.3 secs Computing kpt #: 200 total cpu time spent up to now is 168.2 secs Computing kpt #: 201 total cpu time spent up to now is 169.0 secs Computing kpt #: 202 total cpu time spent up to now is 169.9 secs Computing kpt #: 203 total cpu time spent up to now is 170.8 secs Computing kpt #: 204 total cpu time spent up to now is 171.7 secs Computing kpt #: 205 total cpu time spent up to now is 172.6 secs Computing kpt #: 206 total cpu time spent up to now is 173.4 secs Computing kpt #: 207 total cpu time spent up to now is 174.6 secs Computing kpt #: 208 total cpu time spent up to now is 175.4 secs Computing kpt #: 209 total cpu time spent up to now is 176.1 secs Computing kpt #: 210 total cpu time spent up to now is 176.8 secs Computing kpt #: 211 total cpu time spent up to now is 177.5 secs Computing kpt #: 212 total cpu time spent up to now is 178.2 secs Computing kpt #: 213 total cpu time spent up to now is 178.9 secs Computing kpt #: 214 total cpu time spent up to now is 179.7 secs Computing kpt #: 215 total cpu time spent up to now is 180.4 secs Computing kpt #: 216 total cpu time spent up to now is 181.1 secs Computing kpt #: 217 total cpu time spent up to now is 181.9 secs Computing kpt #: 218 total cpu time spent up to now is 182.7 secs Computing kpt #: 219 total cpu time spent up to now is 183.5 secs Computing kpt #: 220 total cpu time spent up to now is 184.2 secs Computing kpt #: 221 total cpu time spent up to now is 185.0 secs Computing kpt #: 222 total cpu time spent up to now is 185.7 secs Computing kpt #: 223 total cpu time spent up to now is 186.5 secs Computing kpt #: 224 total cpu time spent up to now is 187.3 secs Computing kpt #: 225 total cpu time spent up to now is 188.0 secs Computing kpt #: 226 total cpu time spent up to now is 188.7 secs Computing kpt #: 227 total cpu time spent up to now is 189.5 secs Computing kpt #: 228 total cpu time spent up to now is 190.2 secs Computing kpt #: 229 total cpu time spent up to now is 190.9 secs Computing kpt #: 230 total cpu time spent up to now is 191.7 secs Computing kpt #: 231 total cpu time spent up to now is 192.3 secs Computing kpt #: 232 total cpu time spent up to now is 193.0 secs Computing kpt #: 233 total cpu time spent up to now is 193.8 secs Computing kpt #: 234 total cpu time spent up to now is 194.5 secs Computing kpt #: 235 total cpu time spent up to now is 195.2 secs Computing kpt #: 236 total cpu time spent up to now is 195.9 secs Computing kpt #: 237 total cpu time spent up to now is 196.6 secs Computing kpt #: 238 total cpu time spent up to now is 197.3 secs Computing kpt #: 239 total cpu time spent up to now is 198.0 secs Computing kpt #: 240 total cpu time spent up to now is 198.7 secs Computing kpt #: 241 total cpu time spent up to now is 199.4 secs Computing kpt #: 242 total cpu time spent up to now is 200.2 secs Computing kpt #: 243 total cpu time spent up to now is 200.9 secs Computing kpt #: 244 total cpu time spent up to now is 201.6 secs Computing kpt #: 245 total cpu time spent up to now is 202.3 secs Computing kpt #: 246 total cpu time spent up to now is 202.9 secs Computing kpt #: 247 total cpu time spent up to now is 203.6 secs Computing kpt #: 248 total cpu time spent up to now is 204.3 secs Computing kpt #: 249 total cpu time spent up to now is 205.1 secs Computing kpt #: 250 total cpu time spent up to now is 205.7 secs Computing kpt #: 251 total cpu time spent up to now is 206.5 secs Computing kpt #: 252 total cpu time spent up to now is 207.2 secs Computing kpt #: 253 total cpu time spent up to now is 207.9 secs Computing kpt #: 254 total cpu time spent up to now is 208.7 secs Computing kpt #: 255 total cpu time spent up to now is 209.6 secs Computing kpt #: 256 total cpu time spent up to now is 210.4 secs Computing kpt #: 257 total cpu time spent up to now is 211.3 secs Computing kpt #: 258 total cpu time spent up to now is 212.3 secs Computing kpt #: 259 total cpu time spent up to now is 213.1 secs Computing kpt #: 260 total cpu time spent up to now is 214.1 secs Computing kpt #: 261 total cpu time spent up to now is 214.9 secs Computing kpt #: 262 total cpu time spent up to now is 215.8 secs Computing kpt #: 263 total cpu time spent up to now is 216.8 secs Computing kpt #: 264 total cpu time spent up to now is 217.7 secs Computing kpt #: 265 total cpu time spent up to now is 218.7 secs Computing kpt #: 266 total cpu time spent up to now is 219.6 secs Computing kpt #: 267 total cpu time spent up to now is 220.6 secs Computing kpt #: 268 total cpu time spent up to now is 221.6 secs Computing kpt #: 269 total cpu time spent up to now is 222.7 secs Computing kpt #: 270 total cpu time spent up to now is 223.7 secs Computing kpt #: 271 total cpu time spent up to now is 224.5 secs Computing kpt #: 272 total cpu time spent up to now is 225.3 secs Computing kpt #: 273 total cpu time spent up to now is 225.9 secs Computing kpt #: 274 total cpu time spent up to now is 226.7 secs Computing kpt #: 275 total cpu time spent up to now is 227.4 secs Computing kpt #: 276 total cpu time spent up to now is 228.1 secs Computing kpt #: 277 total cpu time spent up to now is 228.9 secs Computing kpt #: 278 total cpu time spent up to now is 229.6 secs Computing kpt #: 279 total cpu time spent up to now is 230.3 secs Computing kpt #: 280 total cpu time spent up to now is 231.0 secs Computing kpt #: 281 total cpu time spent up to now is 231.7 secs Computing kpt #: 282 total cpu time spent up to now is 232.4 secs Computing kpt #: 283 total cpu time spent up to now is 233.1 secs Computing kpt #: 284 total cpu time spent up to now is 233.9 secs Computing kpt #: 285 total cpu time spent up to now is 234.6 secs Computing kpt #: 286 total cpu time spent up to now is 235.4 secs Computing kpt #: 287 total cpu time spent up to now is 236.1 secs Computing kpt #: 288 total cpu time spent up to now is 236.8 secs Computing kpt #: 289 total cpu time spent up to now is 237.5 secs Computing kpt #: 290 total cpu time spent up to now is 238.2 secs Computing kpt #: 291 total cpu time spent up to now is 238.9 secs Computing kpt #: 292 total cpu time spent up to now is 239.9 secs Computing kpt #: 293 total cpu time spent up to now is 241.0 secs ethr = 2.08E-08, avg # of iterations = 23.4 total cpu time spent up to now is 241.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3807 PWs) bands (ev): -10.2161 -10.2161 -7.1081 -7.1081 -7.1056 -7.1056 -6.0330 -6.0330 -6.0324 -6.0324 -4.4206 -4.4206 -2.8016 -2.8016 -2.8009 -2.8009 -0.3997 -0.3997 0.3257 0.3257 0.4140 0.4140 0.4145 0.4145 1.5283 1.5283 2.6560 2.6560 2.6657 2.6657 3.7657 3.7657 4.5900 4.5900 4.8304 4.8304 4.8314 4.8314 7.4385 7.4385 7.4833 7.4833 8.2168 8.2168 8.2244 8.2244 10.0436 10.0436 10.2758 10.2758 10.2767 10.2767 10.9198 10.9198 11.6414 11.6414 11.6506 11.6506 k = 0.0143 0.0082-0.0000 ( 3799 PWs) bands (ev): -10.2151 -10.2151 -7.1103 -7.1102 -7.1073 -7.1072 -6.0320 -6.0319 -6.0314 -6.0313 -4.4210 -4.4210 -2.8019 -2.8018 -2.7993 -2.7992 -0.4040 -0.4037 0.3241 0.3257 0.4147 0.4155 0.4157 0.4179 1.5298 1.5317 2.6569 2.6570 2.6668 2.6669 3.7663 3.7668 4.5778 4.5848 4.8323 4.8326 4.8379 4.8448 7.4354 7.4363 7.4808 7.4808 8.2176 8.2176 8.2252 8.2253 10.0399 10.0432 10.2667 10.2673 10.2749 10.2770 10.9230 10.9238 11.6416 11.6417 11.6504 11.6511 k = 0.0286 0.0165-0.0000 ( 3791 PWs) bands (ev): -10.2122 -10.2122 -7.1181 -7.1177 -7.1112 -7.1109 -6.0292 -6.0287 -6.0284 -6.0279 -4.4223 -4.4223 -2.8038 -2.8036 -2.7936 -2.7934 -0.4164 -0.4160 0.3213 0.3240 0.4184 0.4199 0.4210 0.4246 1.5359 1.5396 2.6584 2.6594 2.6710 2.6715 3.7685 3.7695 4.5527 4.5646 4.8379 4.8386 4.8623 4.8738 7.4262 7.4278 7.4737 7.4741 8.2200 8.2203 8.2277 8.2281 10.0320 10.0384 10.2400 10.2413 10.2728 10.2767 10.9325 10.9341 11.6419 11.6424 11.6503 11.6521 k = 0.0429 0.0247-0.0000 ( 3793 PWs) bands (ev): -10.2074 -10.2074 -7.1315 -7.1310 -7.1168 -7.1163 -6.0248 -6.0242 -6.0227 -6.0221 -4.4245 -4.4245 -2.8070 -2.8067 -2.7843 -2.7839 -0.4366 -0.4360 0.3177 0.3212 0.4249 0.4265 0.4300 0.4343 1.5463 1.5518 2.6595 2.6619 2.6793 2.6808 3.7723 3.7738 4.5208 4.5354 4.8474 4.8484 4.8985 4.9124 7.4094 7.4112 7.4635 7.4649 8.2238 8.2248 8.2322 8.2333 10.0200 10.0289 10.1988 10.2009 10.2698 10.2752 10.9461 10.9485 11.6419 11.6433 11.6504 11.6537 k = 0.0571 0.0330-0.0000 ( 3793 PWs) bands (ev): -10.2007 -10.2007 -7.1503 -7.1496 -7.1243 -7.1236 -6.0189 -6.0183 -6.0144 -6.0138 -4.4276 -4.4275 -2.8113 -2.8110 -2.7714 -2.7709 -0.4638 -0.4631 0.3139 0.3179 0.4338 0.4350 0.4422 0.4468 1.5606 1.5678 2.6606 2.6641 2.6920 2.6944 3.7775 3.7795 4.4860 4.5021 4.8605 4.8618 4.9417 4.9569 7.3831 7.3852 7.4517 7.4544 8.2289 8.2307 8.2396 8.2416 10.0032 10.0137 10.1471 10.1508 10.2654 10.2722 10.9615 10.9647 11.6413 11.6441 11.6511 11.6563 k = 0.0714 0.0412-0.0000 ( 3777 PWs) bands (ev): -10.1921 -10.1920 -7.1742 -7.1734 -7.1336 -7.1328 -6.0118 -6.0113 -6.0035 -6.0030 -4.4316 -4.4315 -2.8168 -2.8164 -2.7554 -2.7548 -0.4973 -0.4964 0.3105 0.3148 0.4444 0.4452 0.4573 0.4620 1.5782 1.5869 2.6620 2.6665 2.7090 2.7121 3.7839 3.7865 4.4505 4.4675 4.8770 4.8786 4.9894 5.0051 7.3471 7.3496 7.4385 7.4427 8.2356 8.2378 8.2505 8.2531 9.9798 9.9898 10.0903 10.0969 10.2594 10.2674 10.9767 10.9806 11.6399 11.6437 11.6531 11.6599 k = 0.0857 0.0495-0.0000 ( 3767 PWs) bands (ev): -10.1815 -10.1815 -7.2030 -7.2022 -7.1444 -7.1435 -6.0036 -6.0031 -5.9899 -5.9895 -4.4365 -4.4364 -2.8235 -2.8229 -2.7365 -2.7358 -0.5361 -0.5351 0.3077 0.3124 0.4558 0.4572 0.4749 0.4800 1.5984 1.6085 2.6639 2.6692 2.7298 2.7336 3.7913 3.7944 4.4157 4.4333 4.8965 4.8985 5.0400 5.0559 7.3020 7.3049 7.4234 7.4291 8.2438 8.2462 8.2652 8.2682 9.9450 9.9511 10.0362 10.0487 10.2514 10.2602 10.9902 10.9949 11.6376 11.6417 11.6564 11.6644 k = 0.1000 0.0577-0.0000 ( 3763 PWs) bands (ev): -10.1691 -10.1690 -7.2365 -7.2356 -7.1566 -7.1556 -5.9946 -5.9941 -5.9739 -5.9735 -4.4424 -4.4423 -2.8311 -2.8305 -2.7152 -2.7144 -0.5793 -0.5783 0.3059 0.3109 0.4678 0.4704 0.4948 0.5008 1.6205 1.6319 2.6664 2.6725 2.7543 2.7586 3.7991 3.8027 4.3826 4.4005 4.9189 4.9211 5.0927 5.1086 7.2486 7.2521 7.4059 7.4130 8.2536 8.2562 8.2837 8.2870 9.8926 9.8941 9.9932 10.0120 10.2408 10.2503 11.0012 11.0066 11.6342 11.6381 11.6607 11.6696 k = 0.1143 0.0660-0.0000 ( 3759 PWs) bands (ev): -10.1548 -10.1547 -7.2745 -7.2735 -7.1699 -7.1688 -5.9847 -5.9842 -5.9554 -5.9551 -4.4493 -4.4491 -2.8398 -2.8391 -2.6919 -2.6910 -0.6260 -0.6250 0.3053 0.3106 0.4805 0.4843 0.5172 0.5241 1.6441 1.6566 2.6697 2.6764 2.7822 2.7869 3.8068 3.8110 4.3520 4.3702 4.9437 4.9463 5.1471 5.1628 7.1878 7.1920 7.3855 7.3940 8.2650 8.2678 8.3057 8.3094 9.8255 9.8264 9.9600 9.9826 10.2275 10.2374 11.0093 11.0153 11.6292 11.6329 11.6656 11.6752 k = 0.1286 0.0742-0.0000 ( 3751 PWs) bands (ev): -10.1386 -10.1385 -7.3165 -7.3155 -7.1842 -7.1830 -5.9741 -5.9736 -5.9347 -5.9344 -4.4571 -4.4570 -2.8494 -2.8486 -2.6672 -2.6661 -0.6753 -0.6743 0.3059 0.3117 0.4937 0.4988 0.5419 0.5501 1.6686 1.6819 2.6739 2.6812 2.8131 2.8182 3.8138 3.8187 4.3247 4.3430 4.9706 4.9735 5.2026 5.2180 7.1208 7.1255 7.3619 7.3718 8.2777 8.2808 8.3312 8.3354 9.7525 9.7544 9.9304 9.9553 10.2112 10.2214 11.0145 11.0212 11.6222 11.6257 11.6708 11.6810 k = 0.1429 0.0825-0.0000 ( 3749 PWs) bands (ev): -10.1206 -10.1205 -7.3622 -7.3612 -7.1992 -7.1980 -5.9629 -5.9624 -5.9118 -5.9116 -4.4660 -4.4658 -2.8598 -2.8590 -2.6414 -2.6403 -0.7264 -0.7255 0.3079 0.3141 0.5074 0.5137 0.5690 0.5784 1.6935 1.7075 2.6791 2.6868 2.8467 2.8521 3.8191 3.8248 4.3015 4.3199 4.9993 5.0027 5.2588 5.2738 7.0486 7.0538 7.3349 7.3461 8.2913 8.2949 8.3599 8.3646 9.6791 9.6813 9.9014 9.9279 10.1917 10.2020 11.0169 11.0242 11.6125 11.6162 11.6756 11.6862 k = 0.1571 0.0907-0.0000 ( 3737 PWs) bands (ev): -10.1007 -10.1006 -7.4114 -7.4104 -7.2147 -7.2135 -5.9511 -5.9507 -5.8870 -5.8868 -4.4759 -4.4757 -2.8711 -2.8703 -2.6152 -2.6140 -0.7785 -0.7777 0.3111 0.3179 0.5215 0.5290 0.5987 0.6093 1.7186 1.7331 2.6854 2.6935 2.8825 2.8881 3.8219 3.8285 4.2833 4.3017 5.0295 5.0334 5.3154 5.3299 6.9723 6.9782 7.3044 7.3170 8.3055 8.3096 8.3915 8.3967 9.6079 9.6102 9.8721 9.8997 10.1691 10.1792 11.0168 11.0246 11.5989 11.6040 11.6789 11.6895 k = 0.1714 0.0990-0.0000 ( 3739 PWs) bands (ev): -10.0790 -10.0789 -7.4637 -7.4627 -7.2306 -7.2293 -5.9388 -5.9384 -5.8604 -5.8602 -4.4868 -4.4866 -2.8832 -2.8823 -2.5891 -2.5878 -0.8310 -0.8302 0.3155 0.3228 0.5360 0.5446 0.6311 0.6427 1.7437 1.7584 2.6927 2.7011 2.9200 2.9256 3.8213 3.8289 4.2706 4.2890 5.0609 5.0654 5.3718 5.3858 6.8933 6.8997 7.2706 7.2844 8.3194 8.3242 8.4256 8.4315 9.5409 9.5431 9.8418 9.8703 10.1435 10.1533 11.0143 11.0228 11.5803 11.5878 11.6791 11.6890 k = 0.1857 0.1072-0.0000 ( 3737 PWs) bands (ev): -10.0556 -10.0555 -7.5187 -7.5177 -7.2466 -7.2454 -5.9260 -5.9256 -5.8323 -5.8321 -4.4987 -4.4985 -2.8961 -2.8952 -2.5635 -2.5621 -0.8831 -0.8824 0.3209 0.3287 0.5510 0.5606 0.6661 0.6788 1.7687 1.7835 2.7011 2.7097 2.9586 2.9641 3.8169 3.8256 4.2639 4.2821 5.0932 5.0984 5.4275 5.4408 6.8130 6.8199 7.2335 7.2485 8.3322 8.3379 8.4619 8.4685 9.4796 9.4817 9.8107 9.8397 10.1152 10.1244 11.0099 11.0190 11.5547 11.5654 11.6745 11.6825 k = 0.2000 0.1155-0.0000 ( 3739 PWs) bands (ev): -10.0303 -10.0302 -7.5760 -7.5751 -7.2628 -7.2616 -5.9128 -5.9124 -5.8029 -5.8027 -4.5116 -4.5114 -2.9097 -2.9087 -2.5389 -2.5374 -0.9342 -0.9337 0.3270 0.3353 0.5665 0.5771 0.7041 0.7176 1.7935 1.8083 2.7105 2.7193 2.9975 3.0029 3.8084 3.8181 4.2631 4.2811 5.1262 5.1321 5.4816 5.4943 6.7327 6.7403 7.1933 7.2095 8.3429 8.3497 8.5001 8.5073 9.4254 9.4279 9.7786 9.8078 10.0846 10.0930 11.0034 11.0132 11.5198 11.5338 11.6643 11.6693 k = 0.2143 0.1237-0.0000 ( 3755 PWs) bands (ev): -10.0034 -10.0033 -7.6354 -7.6345 -7.2788 -7.2777 -5.8991 -5.8987 -5.7724 -5.7721 -4.5254 -4.5252 -2.9241 -2.9231 -2.5156 -2.5141 -0.9839 -0.9835 0.3336 0.3423 0.5826 0.5940 0.7451 0.7594 1.8182 1.8328 2.7207 2.7297 3.0361 3.0413 3.7960 3.8066 4.2676 4.2855 5.1596 5.1663 5.5333 5.5454 6.6543 6.6624 7.1503 7.1676 8.3507 8.3586 8.5397 8.5477 9.3794 9.3827 9.7458 9.7748 10.0523 10.0597 10.9949 11.0055 11.4746 11.4908 11.6502 11.6525 k = 0.2286 0.1320-0.0000 ( 3769 PWs) bands (ev): -9.9748 -9.9747 -7.6965 -7.6957 -7.2947 -7.2936 -5.8852 -5.8848 -5.7409 -5.7406 -4.5401 -4.5398 -2.9391 -2.9381 -2.4942 -2.4927 -1.0317 -1.0314 0.3403 0.3493 0.5994 0.6113 0.7892 0.8041 1.8429 1.8572 2.7317 2.7407 3.0737 3.0786 3.7803 3.7917 4.2768 4.2945 5.1930 5.2006 5.5815 5.5929 6.5797 6.5884 7.1049 7.1231 8.3546 8.3639 8.5805 8.5892 9.3424 9.3470 9.7122 9.7409 10.0190 10.0250 10.9841 10.9955 11.4202 11.4373 11.6346 11.6363 k = 0.2429 0.1402-0.0000 ( 3769 PWs) bands (ev): -9.9445 -9.9444 -7.7590 -7.7582 -7.3103 -7.3092 -5.8709 -5.8705 -5.7087 -5.7084 -4.5556 -4.5553 -2.9549 -2.9539 -2.4748 -2.4732 -1.0770 -1.0768 0.3469 0.3561 0.6168 0.6292 0.8367 0.8521 1.8676 1.8816 2.7431 2.7522 3.1095 3.1141 3.7617 3.7738 4.2897 4.3071 5.2260 5.2347 5.6247 5.6354 6.5112 6.5204 7.0574 7.0765 8.3543 8.3651 8.6222 8.6315 9.3148 9.3209 9.6784 9.7063 9.9853 9.9897 10.9702 10.9826 11.3599 11.3769 11.6198 11.6220 k = 0.2571 0.1485-0.0000 ( 3769 PWs) bands (ev): -9.9127 -9.9126 -7.8226 -7.8218 -7.3255 -7.3244 -5.8563 -5.8559 -5.6761 -5.6757 -4.5718 -4.5714 -2.9714 -2.9703 -2.4576 -2.4561 -1.1197 -1.1194 0.3531 0.3623 0.6350 0.6476 0.8876 0.9033 1.8926 1.9061 2.7548 2.7639 3.1429 3.1470 3.7411 3.7537 4.3052 4.3225 5.2582 5.2678 5.6613 5.6714 6.4513 6.4612 7.0081 7.0281 8.3499 8.3621 8.6643 8.6743 9.2962 9.3039 9.6444 9.6713 9.9521 9.9547 10.9521 10.9654 11.2978 11.3140 11.6069 11.6091 k = 0.2714 0.1567-0.0000 ( 3757 PWs) bands (ev): -9.8793 -9.8792 -7.8869 -7.8862 -7.3401 -7.3391 -5.8416 -5.8412 -5.6431 -5.6427 -4.5886 -4.5882 -2.9885 -2.9874 -2.4429 -2.4413 -1.1593 -1.1590 0.3587 0.3678 0.6537 0.6663 0.9419 0.9578 1.9179 1.9308 2.7662 2.7755 3.1731 3.1768 3.7188 3.7318 4.3226 4.3397 5.2887 5.2994 5.6896 5.6992 6.4032 6.4136 6.9576 6.9782 8.3419 8.3553 8.7065 8.7172 9.2856 9.2948 9.6109 9.6366 9.9199 9.9209 10.9278 10.9419 11.2385 11.2534 11.5957 11.5977 k = 0.2857 0.1650-0.0000 ( 3766 PWs) bands (ev): -9.8445 -9.8444 -7.9518 -7.9511 -7.3543 -7.3533 -5.8267 -5.8263 -5.6101 -5.6097 -4.6059 -4.6054 -3.0063 -3.0052 -2.4305 -2.4290 -1.1957 -1.1954 0.3635 0.3723 0.6729 0.6853 0.9996 1.0155 1.9437 1.9560 2.7771 2.7865 3.1996 3.2027 3.6953 3.7086 4.3412 4.3581 5.3163 5.3280 5.7089 5.7178 6.3691 6.3798 6.9062 6.9273 8.3310 8.3455 8.7482 8.7597 9.2812 9.2917 9.5785 9.6027 9.8884 9.8904 10.8946 10.9090 11.1866 11.1996 11.5858 11.5878 k = 0.3000 0.1732-0.0000 ( 3766 PWs) bands (ev): -9.8084 -9.8082 -8.0169 -8.0163 -7.3678 -7.3669 -5.8118 -5.8114 -5.5773 -5.5769 -4.6234 -4.6230 -3.0246 -3.0236 -2.4205 -2.4191 -1.2288 -1.2285 0.3674 0.3759 0.6923 0.7044 1.0607 1.0764 1.9699 1.9815 2.7871 2.7965 3.2218 3.2243 3.6708 3.6843 4.3604 4.3771 5.3396 5.3519 5.7200 5.7280 6.3505 6.3612 6.8543 6.8758 8.3186 8.3338 8.7890 8.8013 9.2810 9.2926 9.5480 9.5707 9.8591 9.8632 10.8505 10.8644 11.1460 11.1563 11.5771 11.5793 k = 0.3143 0.1815-0.0000 ( 3760 PWs) bands (ev): -9.7710 -9.7708 -8.0819 -8.0813 -7.3806 -7.3797 -5.7969 -5.7965 -5.5449 -5.5445 -4.6412 -4.6407 -3.0434 -3.0424 -2.4128 -2.4114 -1.2586 -1.2582 0.3705 0.3785 0.7118 0.7233 1.1248 1.1403 1.9966 2.0076 2.7956 2.8052 3.2394 3.2412 3.6456 3.6592 4.3799 4.3963 5.3563 5.3689 5.7262 5.7328 6.3465 6.3569 6.8023 6.8242 8.3055 8.3212 8.8282 8.8413 9.2826 9.2950 9.5205 9.5416 9.8332 9.8393 10.7954 10.8082 11.1176 11.1249 11.5695 11.5720 k = 0.3286 0.1897-0.0000 ( 3762 PWs) bands (ev): -9.7325 -9.7323 -8.1466 -8.1461 -7.3926 -7.3918 -5.7822 -5.7818 -5.5133 -5.5128 -4.6589 -4.6584 -3.0625 -3.0615 -2.4071 -2.4058 -1.2850 -1.2846 0.3727 0.3802 0.7310 0.7418 1.1917 1.2069 2.0238 2.0341 2.8022 2.8119 3.2522 3.2533 3.6199 3.6334 4.3994 4.4155 5.3643 5.3766 5.7325 5.7371 6.3544 6.3642 6.7510 6.7728 8.2928 8.3086 8.8650 8.8788 9.2840 9.2970 9.4972 9.5167 9.8114 9.8193 10.7316 10.7434 11.0996 11.1042 11.5627 11.5658 k = 0.3429 0.1979-0.0000 ( 3756 PWs) bands (ev): -9.6930 -9.6929 -8.2106 -8.2101 -7.4039 -7.4031 -5.7678 -5.7673 -5.4825 -5.4821 -4.6764 -4.6760 -3.0818 -3.0808 -2.4033 -2.4020 -1.3082 -1.3078 0.3742 0.3810 0.7497 0.7598 1.2610 1.2757 2.0515 2.0610 2.8064 2.8163 3.2600 3.2604 3.5938 3.6070 4.4186 4.4343 5.3623 5.3737 5.7437 5.7457 6.3703 6.3795 6.7009 6.7224 8.2811 8.2968 8.8985 8.9132 9.2834 9.2969 9.4792 9.4973 9.7941 9.8033 10.6624 10.6732 11.0896 11.0921 11.5568 11.5605 k = 0.3571 0.2062-0.0000 ( 3768 PWs) bands (ev): -9.6529 -9.6527 -8.2737 -8.2732 -7.4143 -7.4136 -5.7537 -5.7533 -5.4530 -5.4526 -4.6935 -4.6931 -3.1010 -3.1001 -2.4009 -2.3998 -1.3283 -1.3279 0.3750 0.3812 0.7676 0.7768 1.3321 1.3463 2.0793 2.0881 2.8076 2.8177 3.2625 3.2633 3.5675 3.5803 4.4373 4.4524 5.3511 5.3611 5.7611 5.7622 6.3900 6.3988 6.6533 6.6740 8.2710 8.2862 8.9279 8.9434 9.2796 9.2935 9.4677 9.4844 9.7811 9.7914 10.5906 10.6007 11.0854 11.0867 11.5516 11.5559 k = 0.3714 0.2144-0.0000 ( 3774 PWs) bands (ev): -9.6122 -9.6121 -8.3353 -8.3348 -7.4238 -7.4232 -5.7402 -5.7398 -5.4251 -5.4247 -4.7100 -4.7095 -3.1198 -3.1190 -2.3998 -2.3987 -1.3456 -1.3452 0.3753 0.3809 0.7845 0.7929 1.4043 1.4179 2.1070 2.1152 2.8056 2.8157 3.2605 3.2621 3.5416 3.5538 4.4554 4.4698 5.3330 5.3416 5.7838 5.7874 6.4084 6.4175 6.6110 6.6297 8.2625 8.2771 8.9526 8.9688 9.2722 9.2866 9.4633 9.4788 9.7721 9.7829 10.5184 10.5279 11.0855 11.0870 11.5471 11.5518 k = 0.3857 0.2227-0.0000 ( 3766 PWs) bands (ev): -9.5715 -9.5714 -8.3950 -8.3946 -7.4325 -7.4319 -5.7275 -5.7271 -5.3990 -5.3986 -4.7256 -4.7252 -3.1380 -3.1372 -2.3996 -2.3987 -1.3603 -1.3599 0.3751 0.3801 0.8002 0.8077 1.4769 1.4898 2.1344 2.1418 2.7998 2.8100 3.2546 3.2570 3.5164 3.5278 4.4727 4.4861 5.3113 5.3185 5.8121 5.8183 6.4179 6.4295 6.5793 6.5941 8.2559 8.2695 8.9728 8.9894 9.2612 9.2759 9.4668 9.4812 9.7661 9.7771 10.4476 10.4565 11.0893 11.0914 11.5430 11.5480 k = 0.4000 0.2309-0.0000 ( 3768 PWs) bands (ev): -9.5312 -9.5310 -8.4523 -8.4519 -7.4401 -7.4396 -5.7156 -5.7153 -5.3750 -5.3746 -4.7401 -4.7397 -3.1551 -3.1544 -2.4001 -2.3993 -1.3726 -1.3723 0.3747 0.3790 0.8145 0.8210 1.5488 1.5608 2.1608 2.1675 2.7903 2.8002 3.2456 3.2488 3.4927 3.5030 4.4887 4.5011 5.2886 5.2946 5.8447 5.8530 6.4093 6.4258 6.5656 6.5750 8.2508 8.2633 8.9888 9.0057 9.2466 9.2616 9.4781 9.4915 9.7621 9.7730 10.3794 10.3878 11.0963 11.0989 11.5393 11.5445 k = 0.4143 0.2392-0.0000 ( 3768 PWs) bands (ev): -9.4919 -9.4918 -8.5064 -8.5061 -7.4468 -7.4464 -5.7048 -5.7045 -5.3534 -5.3531 -4.7533 -4.7529 -3.1709 -3.1703 -2.4010 -2.4003 -1.3828 -1.3825 0.3741 0.3778 0.8273 0.8328 1.6186 1.6297 2.1857 2.1916 2.7771 2.7866 3.2346 3.2384 3.4709 3.4799 4.5034 4.5144 5.2670 5.2720 5.8801 5.8903 6.3822 6.4023 6.5697 6.5752 8.2472 8.2584 9.0021 9.0191 9.2287 9.2440 9.4965 9.5089 9.7588 9.7692 10.3152 10.3232 11.1056 11.1085 11.5360 11.5410 k = 0.4286 0.2474-0.0000 ( 3762 PWs) bands (ev): -9.4546 -9.4544 -8.5565 -8.5562 -7.4525 -7.4522 -5.6953 -5.6950 -5.3346 -5.3343 -4.7649 -4.7646 -3.1850 -3.1845 -2.4021 -2.4015 -1.3910 -1.3907 0.3735 0.3765 0.8383 0.8430 1.6849 1.6948 2.2084 2.2135 2.7609 2.7697 3.2228 3.2267 3.4518 3.4594 4.5163 4.5259 5.2479 5.2520 5.9172 5.9292 6.3449 6.3663 6.5826 6.5864 8.2448 8.2544 9.0141 9.0311 9.2081 9.2236 9.5206 9.5321 9.7550 9.7648 10.2564 10.2637 11.1164 11.1193 11.5329 11.5377 k = 0.4429 0.2557-0.0000 ( 3762 PWs) bands (ev): -9.4203 -9.4201 -8.6012 -8.6009 -7.4572 -7.4569 -5.6872 -5.6870 -5.3188 -5.3185 -4.7748 -4.7745 -3.1971 -3.1967 -2.4032 -2.4028 -1.3974 -1.3972 0.3729 0.3753 0.8476 0.8513 1.7455 1.7541 2.2281 2.2324 2.7430 2.7507 3.2111 3.2150 3.4358 3.4418 4.5274 4.5353 5.2321 5.2352 5.9554 5.9688 6.3039 6.3253 6.5976 6.6005 8.2434 8.2512 9.0263 9.0431 9.1855 9.2013 9.5488 9.5592 9.7497 9.7587 10.2045 10.2110 11.1276 11.1302 11.5301 11.5344 k = 0.4571 0.2639-0.0000 ( 3768 PWs) bands (ev): -9.3905 -9.3904 -8.6391 -8.6389 -7.4608 -7.4606 -5.6807 -5.6805 -5.3062 -5.3060 -4.7827 -4.7824 -3.2068 -3.2065 -2.4042 -2.4039 -1.4023 -1.4021 0.3724 0.3742 0.8549 0.8577 1.7979 1.8048 2.2442 2.2476 2.7252 2.7315 3.2009 3.2043 3.4232 3.4277 4.5364 4.5425 5.2198 5.2221 5.9940 6.0084 6.2624 6.2830 6.6113 6.6134 8.2427 8.2487 9.0397 9.0565 9.1619 9.1779 9.5788 9.5880 9.7421 9.7501 10.1611 10.1665 11.1380 11.1402 11.5278 11.5313 k = 0.4714 0.2722-0.0000 ( 3772 PWs) bands (ev): -9.3672 -9.3671 -8.6682 -8.6681 -7.4634 -7.4633 -5.6759 -5.6758 -5.2970 -5.2969 -4.7884 -4.7883 -3.2140 -3.2138 -2.4050 -2.4048 -1.4057 -1.4055 0.3720 0.3732 0.8604 0.8622 1.8393 1.8442 2.2561 2.2585 2.7100 2.7144 3.1931 3.1955 3.4142 3.4172 4.5433 4.5474 5.2112 5.2127 6.0321 6.0468 6.2226 6.2415 6.6221 6.6234 8.2426 8.2466 9.0552 9.0718 9.1381 9.1542 9.6083 9.6159 9.7319 9.7386 10.1284 10.1324 11.1465 11.1481 11.5261 11.5286 k = 0.4857 0.2804-0.0000 ( 3768 PWs) bands (ev): -9.3522 -9.3521 -8.6868 -8.6867 -7.4650 -7.4649 -5.6730 -5.6730 -5.2915 -5.2914 -4.7919 -4.7918 -3.2183 -3.2182 -2.4055 -2.4054 -1.4076 -1.4076 0.3719 0.3725 0.8638 0.8648 1.8663 1.8689 2.2636 2.2648 2.7000 2.7023 3.1884 3.1897 3.4091 3.4106 4.5479 4.5499 5.2062 5.2070 6.0674 6.0797 6.1891 6.2035 6.6289 6.6296 8.2430 8.2450 9.0730 9.0895 9.1149 9.1312 9.6333 9.6385 9.7212 9.7257 10.1083 10.1104 11.1523 11.1531 11.5253 11.5266 k = 0.5000 0.2887-0.0000 ( 3772 PWs) bands (ev): -9.3469 -9.3469 -8.6931 -8.6931 -7.4655 -7.4655 -5.6720 -5.6720 -5.2896 -5.2896 -4.7930 -4.7930 -3.2198 -3.2198 -2.4056 -2.4056 -1.4083 -1.4083 0.3721 0.3721 0.8653 0.8653 1.8766 1.8766 2.2665 2.2665 2.6972 2.6972 3.1872 3.1872 3.4079 3.4079 4.5501 4.5501 5.2048 5.2048 6.0903 6.0903 6.1791 6.1791 6.6315 6.6315 8.2438 8.2438 9.0930 9.0930 9.1094 9.1094 9.6463 9.6463 9.7173 9.7173 10.1021 10.1021 11.1545 11.1545 11.5255 11.5255 k = 0.5000 0.2887-0.0000 ( 3772 PWs) bands (ev): -9.3469 -9.3469 -8.6931 -8.6931 -7.4655 -7.4655 -5.6720 -5.6720 -5.2896 -5.2896 -4.7930 -4.7930 -3.2198 -3.2198 -2.4056 -2.4056 -1.4083 -1.4083 0.3721 0.3721 0.8653 0.8653 1.8766 1.8766 2.2665 2.2665 2.6972 2.6972 3.1872 3.1872 3.4079 3.4079 4.5501 4.5501 5.2048 5.2048 6.0903 6.0903 6.1791 6.1791 6.6315 6.6315 8.2438 8.2438 9.0930 9.0930 9.1094 9.1094 9.6463 9.6463 9.7173 9.7173 10.1021 10.1021 11.1545 11.1545 11.5255 11.5255 k = 0.4921 0.3024-0.0000 ( 3776 PWs) bands (ev): -9.3460 -9.3460 -8.6932 -8.6932 -7.4682 -7.4681 -5.6694 -5.6693 -5.2891 -5.2891 -4.7935 -4.7935 -3.2223 -3.2222 -2.4037 -2.4037 -1.4110 -1.4108 0.3745 0.3746 0.8686 0.8691 1.8756 1.8762 2.2635 2.2646 2.6973 2.6987 3.1849 3.1862 3.4093 3.4098 4.5483 4.5485 5.2027 5.2033 6.0893 6.0901 6.1812 6.1815 6.6327 6.6328 8.2442 8.2456 9.0926 9.0928 9.1080 9.1103 9.6468 9.6492 9.7171 9.7177 10.1030 10.1036 11.1528 11.1533 11.5236 11.5239 k = 0.4841 0.3162-0.0000 ( 3784 PWs) bands (ev): -9.3432 -9.3432 -8.6935 -8.6935 -7.4760 -7.4759 -5.6614 -5.6614 -5.2877 -5.2877 -4.7950 -4.7950 -3.2298 -3.2297 -2.3981 -2.3980 -1.4191 -1.4187 0.3816 0.3818 0.8788 0.8800 1.8732 1.8745 2.2559 2.2580 2.6991 2.7017 3.1794 3.1821 3.4140 3.4150 4.5431 4.5435 5.1970 5.1981 6.0873 6.0888 6.1880 6.1884 6.6365 6.6367 8.2469 8.2495 9.0911 9.0918 9.1066 9.1108 9.6507 9.6553 9.7172 9.7184 10.1062 10.1073 11.1480 11.1489 11.5183 11.5187 k = 0.4762 0.3299-0.0000 ( 3778 PWs) bands (ev): -9.3386 -9.3385 -8.6940 -8.6939 -7.4889 -7.4887 -5.6484 -5.6483 -5.2855 -5.2854 -4.7975 -4.7974 -3.2420 -3.2418 -2.3888 -2.3887 -1.4322 -1.4317 0.3936 0.3939 0.8958 0.8975 1.8697 1.8716 2.2438 2.2468 2.7024 2.7063 3.1709 3.1748 3.4219 3.4234 4.5346 4.5352 5.1878 5.1894 6.0844 6.0865 6.1990 6.1999 6.6427 6.6430 8.2518 8.2557 9.0879 9.0896 9.1060 9.1113 9.6578 9.6645 9.7177 9.7195 10.1116 10.1132 11.1404 11.1418 11.5094 11.5101 k = 0.4683 0.3437-0.0000 ( 3772 PWs) bands (ev): -9.3321 -9.3320 -8.6948 -8.6947 -7.5062 -7.5061 -5.6308 -5.6306 -5.2823 -5.2822 -4.8009 -4.8009 -3.2584 -3.2581 -2.3764 -2.3763 -1.4500 -1.4493 0.4102 0.4107 0.9187 0.9210 1.8651 1.8676 2.2275 2.2313 2.7072 2.7121 3.1592 3.1644 3.4330 3.4348 4.5227 4.5235 5.1754 5.1775 6.0807 6.0832 6.2143 6.2156 6.6510 6.6513 8.2590 8.2642 9.0826 9.0857 9.1062 9.1123 9.6677 9.6763 9.7186 9.7210 10.1190 10.1212 11.1301 11.1320 11.4971 11.4979 k = 0.4603 0.3574-0.0000 ( 3770 PWs) bands (ev): -9.3237 -9.3237 -8.6960 -8.6959 -7.5276 -7.5274 -5.6089 -5.6088 -5.2782 -5.2781 -4.8054 -4.8053 -3.2784 -3.2781 -2.3613 -2.3611 -1.4719 -1.4711 0.4314 0.4320 0.9469 0.9498 1.8599 1.8628 2.2072 2.2118 2.7133 2.7191 3.1447 3.1510 3.4471 3.4493 4.5075 4.5086 5.1601 5.1626 6.0763 6.0793 6.2335 6.2352 6.6610 6.6614 8.2685 8.2749 9.0757 9.0802 9.1069 9.1134 9.6799 9.6902 9.7201 9.7231 10.1283 10.1310 11.1176 11.1199 11.4812 11.4821 k = 0.4524 0.3712-0.0000 ( 3766 PWs) bands (ev): -9.3135 -9.3135 -8.6977 -8.6977 -7.5524 -7.5522 -5.5834 -5.5832 -5.2733 -5.2732 -4.8108 -4.8106 -3.3015 -3.3012 -2.3438 -2.3436 -1.4975 -1.4966 0.4571 0.4578 0.9794 0.9828 1.8543 1.8578 2.1835 2.1887 2.7205 2.7270 3.1275 3.1348 3.4642 3.4665 4.4890 4.4905 5.1422 5.1450 6.0716 6.0748 6.2562 6.2585 6.6723 6.6726 8.2803 8.2880 9.0676 9.0731 9.1072 9.1143 9.6938 9.7057 9.7222 9.7261 10.1392 10.1423 11.1032 11.1059 11.4619 11.4630 k = 0.4444 0.3849-0.0000 ( 3766 PWs) bands (ev): -9.3015 -9.3014 -8.7002 -8.7001 -7.5800 -7.5797 -5.5548 -5.5547 -5.2676 -5.2675 -4.8171 -4.8170 -3.3271 -3.3267 -2.3243 -2.3242 -1.5262 -1.5251 0.4871 0.4880 1.0149 1.0188 1.8490 1.8528 2.1568 2.1624 2.7285 2.7356 3.1077 3.1159 3.4841 3.4865 4.4673 4.4692 5.1220 5.1252 6.0668 6.0702 6.2821 6.2849 6.6844 6.6846 8.2946 8.3035 9.0588 9.0650 9.1067 9.1143 9.7084 9.7218 9.7257 9.7304 10.1511 10.1546 11.0875 11.0906 11.4397 11.4407 k = 0.4365 0.3986-0.0000 ( 3770 PWs) bands (ev): -9.2876 -9.2876 -8.7036 -8.7035 -7.6095 -7.6092 -5.5239 -5.5238 -5.2611 -5.2610 -4.8244 -4.8243 -3.3545 -3.3540 -2.3034 -2.3033 -1.5573 -1.5562 0.5211 0.5222 1.0520 1.0565 1.8446 1.8488 2.1276 2.1335 2.7369 2.7444 3.0855 3.0946 3.5068 3.5092 4.4426 4.4448 5.1001 5.1034 6.0620 6.0655 6.3106 6.3140 6.6967 6.6967 8.3115 8.3215 9.0493 9.0560 9.1045 9.1128 9.7220 9.7288 9.7375 9.7398 10.1636 10.1675 11.0711 11.0746 11.4149 11.4159 k = 0.4286 0.4124-0.0000 ( 3766 PWs) bands (ev): -9.2719 -9.2719 -8.7081 -8.7080 -7.6403 -7.6400 -5.4912 -5.4911 -5.2539 -5.2538 -4.8327 -4.8325 -3.3831 -3.3826 -2.2812 -2.2811 -1.5903 -1.5891 0.5590 0.5603 1.0892 1.0943 1.8420 1.8464 2.0963 2.1026 2.7454 2.7533 3.0613 3.0712 3.5321 3.5344 4.4150 4.4177 5.0767 5.0802 6.0576 6.0612 6.3414 6.3453 6.7085 6.7087 8.3309 8.3421 9.0395 9.0463 9.1003 9.1093 9.7325 9.7341 9.7493 9.7568 10.1760 10.1802 11.0549 11.0586 11.3883 11.3894 k = 0.4206 0.4261-0.0000 ( 3766 PWs) bands (ev): -9.2544 -9.2543 -8.7140 -8.7139 -7.6716 -7.6713 -5.4575 -5.4573 -5.2461 -5.2460 -4.8418 -4.8417 -3.4123 -3.4118 -2.2581 -2.2581 -1.6247 -1.6234 0.6004 0.6019 1.1246 1.1304 1.8421 1.8467 2.0635 2.0700 2.7537 2.7618 3.0353 3.0458 3.5601 3.5622 4.3847 4.3878 5.0524 5.0560 6.0536 6.0572 6.3739 6.3783 6.7194 6.7198 8.3532 8.3654 9.0295 9.0361 9.0934 9.1031 9.7408 9.7412 9.7640 9.7733 10.1876 10.1919 11.0397 11.0437 11.3608 11.3618 k = 0.4127 0.4399-0.0000 ( 3766 PWs) bands (ev): -9.2351 -9.2350 -8.7216 -8.7215 -7.7028 -7.7025 -5.4232 -5.4231 -5.2378 -5.2376 -4.8518 -4.8516 -3.4415 -3.4411 -2.2344 -2.2343 -1.6598 -1.6586 0.6451 0.6468 1.1566 1.1630 1.8462 1.8508 2.0297 2.0363 2.7615 2.7697 3.0078 3.0188 3.5907 3.5924 4.3519 4.3555 5.0274 5.0311 6.0503 6.0539 6.4076 6.4126 6.7289 6.7295 8.3782 8.3915 9.0193 9.0256 9.0833 9.0937 9.7491 9.7504 9.7792 9.7889 10.1973 10.2017 11.0265 11.0306 11.3332 11.3340 k = 0.4048 0.4536-0.0000 ( 3768 PWs) bands (ev): -9.2140 -9.2139 -8.7313 -8.7312 -7.7329 -7.7327 -5.3892 -5.3890 -5.2290 -5.2288 -4.8625 -4.8624 -3.4703 -3.4699 -2.2101 -2.2100 -1.6954 -1.6941 0.6925 0.6946 1.1833 1.1904 1.8551 1.8596 1.9955 2.0022 2.7684 2.7766 2.9792 2.9906 3.6238 3.6250 4.3169 4.3209 5.0024 5.0060 6.0477 6.0512 6.4420 6.4475 6.7364 6.7373 8.4063 8.4205 9.0090 9.0148 9.0697 9.0809 9.7591 9.7608 9.7938 9.8032 10.2044 10.2088 11.0163 11.0203 11.3061 11.3068 k = 0.3968 0.4674-0.0000 ( 3776 PWs) bands (ev): -9.1911 -9.1911 -8.7433 -8.7432 -7.7615 -7.7613 -5.3559 -5.3557 -5.2200 -5.2198 -4.8739 -4.8737 -3.4980 -3.4976 -2.1855 -2.1853 -1.7310 -1.7297 0.7422 0.7447 1.2032 1.2109 1.8694 1.8738 1.9614 1.9680 2.7742 2.7824 2.9500 2.9615 3.6592 3.6598 4.2800 4.2845 4.9776 4.9811 6.0459 6.0493 6.4765 6.4824 6.7417 6.7429 8.4374 8.4525 8.9987 9.0038 9.0523 9.0642 9.7707 9.7727 9.8073 9.8161 10.2082 10.2124 11.0098 11.0137 11.2801 11.2807 k = 0.3889 0.4811-0.0000 ( 3770 PWs) bands (ev): -9.1665 -9.1664 -8.7580 -8.7579 -7.7879 -7.7876 -5.3239 -5.3238 -5.2109 -5.2107 -4.8856 -4.8855 -3.5241 -3.5237 -2.1606 -2.1603 -1.7662 -1.7649 0.7937 0.7966 1.2154 1.2237 1.8891 1.8934 1.9282 1.9345 2.7788 2.7869 2.9206 2.9323 3.6966 3.6967 4.2416 4.2466 4.9536 4.9569 6.0450 6.0482 6.5106 6.5169 6.7443 6.7459 8.4716 8.4875 8.9884 8.9926 9.0310 9.0437 9.7839 9.7860 9.8196 9.8272 10.2081 10.2120 11.0078 11.0114 11.2554 11.2559 k = 0.3810 0.4949-0.0000 ( 3768 PWs) bands (ev): -9.1401 -9.1401 -8.7756 -8.7755 -7.8115 -7.8112 -5.2939 -5.2938 -5.2020 -5.2018 -4.8976 -4.8974 -3.5481 -3.5478 -2.1355 -2.1351 -1.8007 -1.7994 0.8462 0.8496 1.2196 1.2284 1.8952 1.9018 1.9147 1.9181 2.7822 2.7901 2.8917 2.9034 3.7350 3.7359 4.2021 4.2076 4.9308 4.9339 6.0449 6.0479 6.5436 6.5504 6.7441 6.7460 8.5089 8.5254 8.9776 8.9810 9.0062 9.0195 9.7983 9.8004 9.8305 9.8367 10.2040 10.2076 11.0104 11.0136 11.2321 11.2325 k = 0.3730 0.5086-0.0000 ( 3752 PWs) bands (ev): -9.1120 -9.1120 -8.7962 -8.7962 -7.8318 -7.8316 -5.2664 -5.2663 -5.1938 -5.1936 -4.9094 -4.9093 -3.5695 -3.5692 -2.1103 -2.1098 -1.8343 -1.8330 0.8987 0.9028 1.2163 1.2255 1.8657 1.8716 1.9418 1.9452 2.7843 2.7919 2.8643 2.8759 3.7747 3.7765 4.1619 4.1678 4.9099 4.9126 6.0455 6.0482 6.5750 6.5821 6.7410 6.7434 8.5491 8.5664 8.9646 8.9682 8.9800 8.9926 9.8135 9.8152 9.8401 9.8445 10.1962 10.1994 11.0177 11.0204 11.2100 11.2103 k = 0.3651 0.5224-0.0000 ( 3752 PWs) bands (ev): -9.0822 -9.0822 -8.8201 -8.8201 -7.8486 -7.8485 -5.2419 -5.2419 -5.1866 -5.1864 -4.9206 -4.9205 -3.5877 -3.5875 -2.0850 -2.0844 -1.8668 -1.8655 0.9503 0.9553 1.2062 1.2157 1.8389 1.8441 1.9702 1.9732 2.7854 2.7925 2.8392 2.8507 3.8150 3.8179 4.1216 4.1278 4.8913 4.8936 6.0467 6.0491 6.6042 6.6117 6.7352 6.7380 8.5922 8.6100 8.9393 8.9492 8.9626 8.9685 9.8286 9.8297 9.8489 9.8508 10.1858 10.1884 11.0292 11.0312 11.1888 11.1889 k = 0.3571 0.5361-0.0000 ( 3756 PWs) bands (ev): -9.0507 -9.0507 -8.8472 -8.8472 -7.8617 -7.8615 -5.2209 -5.2209 -5.1811 -5.1809 -4.9306 -4.9304 -3.6025 -3.6023 -2.0596 -2.0588 -1.8979 -1.8967 0.9995 1.0056 1.1903 1.2000 1.8161 1.8203 1.9968 1.9992 2.7856 2.7917 2.8178 2.8294 3.8552 3.8593 4.0816 4.0880 4.8757 4.8776 6.0483 6.0502 6.6306 6.6384 6.7269 6.7302 8.6377 8.6560 8.9045 8.9177 8.9519 8.9539 9.8423 9.8426 9.8559 9.8571 10.1740 10.1761 11.0442 11.0456 11.1680 11.1680 k = 0.3492 0.5499-0.0000 ( 3752 PWs) bands (ev): -9.0176 -9.0176 -8.8775 -8.8775 -7.8709 -7.8708 -5.2038 -5.2038 -5.1781 -5.1780 -4.9385 -4.9384 -3.6133 -3.6132 -2.0341 -2.0332 -1.9277 -1.9265 1.0448 1.0522 1.1698 1.1795 1.7985 1.8016 2.0189 2.0206 2.7852 2.7895 2.8015 2.8138 3.8946 3.9001 4.0426 4.0491 4.8638 4.8651 6.0501 6.0514 6.6535 6.6617 6.7166 6.7203 8.6850 8.7037 8.8661 8.8804 8.9427 8.9431 9.8516 9.8536 9.8603 9.8650 10.1629 10.1644 11.0621 11.0629 11.1470 11.1472 k = 0.3413 0.5636-0.0000 ( 3758 PWs) bands (ev): -8.9829 -8.9828 -8.9107 -8.9106 -7.8763 -7.8763 -5.1909 -5.1909 -5.1784 -5.1782 -4.9437 -4.9437 -3.6199 -3.6199 -2.0084 -2.0075 -1.9559 -1.9548 1.0841 1.0932 1.1456 1.1552 1.7875 1.7892 2.0338 2.0347 2.7842 2.7859 2.7919 2.8055 3.9320 3.9392 4.0054 4.0116 4.8562 4.8569 6.0516 6.0523 6.6718 6.6812 6.7054 6.7088 8.7327 8.7518 8.8256 8.8401 8.9348 8.9352 9.8577 9.8593 9.8647 9.8708 10.1548 10.1556 11.0819 11.0821 11.1259 11.1263 k = 0.3333 0.5774-0.0000 ( 3762 PWs) bands (ev): -8.9466 -8.9466 -8.9465 -8.9464 -7.8781 -7.8781 -5.1826 -5.1826 -5.1823 -5.1821 -4.9456 -4.9456 -3.6221 -3.6221 -1.9832 -1.9832 -1.9820 -1.9799 1.1106 1.1238 1.1238 1.1309 1.7843 1.7843 2.0394 2.0394 2.7835 2.7835 2.7893 2.8032 3.9596 3.9744 3.9775 3.9775 4.8538 4.8538 6.0525 6.0525 6.6810 6.6948 6.6981 6.6981 8.7691 8.7931 8.7931 8.8020 8.9312 8.9312 9.8605 9.8605 9.8667 9.8727 10.1519 10.1519 11.0991 11.0991 11.1082 11.1091 k = 0.3333 0.5774-0.0000 ( 3762 PWs) bands (ev): -8.9466 -8.9466 -8.9465 -8.9464 -7.8781 -7.8781 -5.1826 -5.1826 -5.1823 -5.1821 -4.9456 -4.9456 -3.6221 -3.6221 -1.9832 -1.9832 -1.9820 -1.9799 1.1106 1.1238 1.1238 1.1309 1.7843 1.7843 2.0394 2.0394 2.7835 2.7835 2.7893 2.8032 3.9596 3.9744 3.9775 3.9775 4.8538 4.8538 6.0525 6.0525 6.6810 6.6948 6.6981 6.6981 8.7691 8.7931 8.7931 8.8020 8.9312 8.9312 9.8605 9.8605 9.8667 9.8727 10.1519 10.1519 11.0991 11.0991 11.1082 11.1091 k = 0.3252 0.5633-0.0000 ( 3758 PWs) bands (ev): -8.9858 -8.9857 -8.9077 -8.9077 -7.8763 -7.8763 -5.1910 -5.1910 -5.1785 -5.1784 -4.9436 -4.9436 -3.6198 -3.6197 -2.0083 -2.0074 -1.9560 -1.9548 1.0857 1.0964 1.1419 1.1533 1.7878 1.7896 2.0333 2.0342 2.7849 2.7863 2.7914 2.8053 3.9337 3.9421 4.0023 4.0100 4.8566 4.8573 6.0513 6.0522 6.6732 6.6837 6.7030 6.7074 8.7341 8.7526 8.8231 8.8332 8.9367 8.9406 9.8561 9.8573 9.8660 9.8723 10.1553 10.1561 11.0803 11.0811 11.1269 11.1279 k = 0.3171 0.5492-0.0000 ( 3754 PWs) bands (ev): -9.0272 -9.0271 -8.8673 -8.8672 -7.8711 -7.8711 -5.2038 -5.2038 -5.1793 -5.1792 -4.9379 -4.9378 -3.6128 -3.6126 -2.0324 -2.0315 -1.9291 -1.9278 1.0533 1.0637 1.1556 1.1689 1.7998 1.8035 2.0160 2.0177 2.7903 2.7915 2.7994 2.8118 3.9040 3.9116 4.0299 4.0395 4.8659 4.8673 6.0482 6.0501 6.6613 6.6721 6.7077 6.7130 8.6890 8.7075 8.8437 8.8468 8.9623 8.9731 9.8431 9.8444 9.8655 9.8729 10.1659 10.1675 11.0575 11.0588 11.1505 11.1518 k = 0.3089 0.5351-0.0000 ( 3766 PWs) bands (ev): -9.0703 -9.0702 -8.8253 -8.8252 -7.8629 -7.8628 -5.2205 -5.2205 -5.1847 -5.1846 -4.9287 -4.9286 -3.6013 -3.6011 -2.0549 -2.0540 -1.9020 -1.9006 1.0192 1.0293 1.1601 1.1749 1.8190 1.8245 1.9883 1.9907 2.7985 2.7986 2.8127 2.8228 3.8780 3.8851 4.0530 4.0640 4.8820 4.8841 6.0426 6.0455 6.6506 6.6624 6.7080 6.7133 8.6436 8.6624 8.8443 8.8462 9.0074 9.0225 9.8230 9.8239 9.8645 9.8737 10.1830 10.1852 11.0349 11.0367 11.1751 11.1767 k = 0.3008 0.5210-0.0000 ( 3770 PWs) bands (ev): -9.1149 -9.1147 -8.7817 -8.7817 -7.8519 -7.8517 -5.2404 -5.2404 -5.1945 -5.1944 -4.9168 -4.9167 -3.5855 -3.5852 -2.0759 -2.0750 -1.8744 -1.8729 0.9839 0.9938 1.1565 1.1725 1.8432 1.8503 1.9516 1.9544 2.8091 2.8097 2.8283 2.8370 3.8567 3.8630 4.0710 4.0832 4.9049 4.9074 6.0339 6.0379 6.6424 6.6555 6.7033 6.7083 8.5989 8.6182 8.8352 8.8397 9.0619 9.0789 9.7979 9.7982 9.8626 9.8738 10.2050 10.2077 11.0134 11.0158 11.2007 11.2026 k = 0.2927 0.5069-0.0000 ( 3762 PWs) bands (ev): -9.1605 -9.1603 -8.7367 -8.7367 -7.8383 -7.8381 -5.2629 -5.2628 -5.2083 -5.2082 -4.9027 -4.9025 -3.5659 -3.5655 -2.0955 -2.0947 -1.8464 -1.8448 0.9477 0.9575 1.1463 1.1632 1.8694 1.8782 1.9077 1.9105 2.8240 2.8244 2.8441 2.8524 3.8404 3.8459 4.0841 4.0973 4.9341 4.9370 6.0217 6.0267 6.6377 6.6522 6.6936 6.6982 8.5557 8.5754 8.8234 8.8296 9.1201 9.1381 9.7687 9.7691 9.8597 9.8726 10.2305 10.2337 10.9939 10.9970 11.2275 11.2297 k = 0.2846 0.4929-0.0000 ( 3762 PWs) bands (ev): -9.2068 -9.2067 -8.6903 -8.6902 -7.8225 -7.8223 -5.2875 -5.2874 -5.2258 -5.2257 -4.8868 -4.8866 -3.5428 -3.5423 -2.1139 -2.1131 -1.8178 -1.8162 0.9111 0.9207 1.1312 1.1487 1.8563 1.8602 1.8967 1.9056 2.8432 2.8439 2.8582 2.8673 3.8294 3.8339 4.0927 4.1068 4.9687 4.9718 6.0056 6.0116 6.6371 6.6530 6.6794 6.6835 8.5147 8.5346 8.8102 8.8176 9.1794 9.1982 9.7366 9.7376 9.8557 9.8702 10.2586 10.2621 10.9773 10.9810 11.2556 11.2579 k = 0.2764 0.4788-0.0000 ( 3766 PWs) bands (ev): -9.2536 -9.2535 -8.6425 -8.6424 -7.8046 -7.8044 -5.3137 -5.3136 -5.2466 -5.2464 -4.8697 -4.8694 -3.5166 -3.5161 -2.1311 -2.1303 -1.7886 -1.7869 0.8742 0.8835 1.1124 1.1304 1.8015 1.8050 1.9201 1.9305 2.8643 2.8679 2.8702 2.8823 3.8236 3.8270 4.0975 4.1122 5.0079 5.0110 5.9856 5.9925 6.6407 6.6566 6.6615 6.6660 8.4763 8.4965 8.7964 8.8047 9.2386 9.2579 9.7025 9.7043 9.8504 9.8663 10.2884 10.2921 10.9645 10.9687 11.2851 11.2876 k = 0.2683 0.4647-0.0000 ( 3760 PWs) bands (ev): -9.3007 -9.3005 -8.5934 -8.5933 -7.7850 -7.7848 -5.3411 -5.3410 -5.2701 -5.2699 -4.8515 -4.8512 -3.4880 -3.4874 -2.1473 -2.1466 -1.7586 -1.7568 0.8373 0.8463 1.0910 1.1094 1.7427 1.7459 1.9400 1.9514 2.8761 2.8791 2.8994 2.9048 3.8227 3.8249 4.0992 4.1145 5.0504 5.0535 5.9618 5.9694 6.6362 6.6399 6.6526 6.6695 8.4413 8.4617 8.7822 8.7913 9.2965 9.3164 9.6670 9.6694 9.8442 9.8611 10.3194 10.3234 10.9564 10.9610 11.3160 11.3187 k = 0.2602 0.4506-0.0000 ( 3760 PWs) bands (ev): -9.3477 -9.3475 -8.5431 -8.5430 -7.7639 -7.7636 -5.3696 -5.3694 -5.2960 -5.2958 -4.8326 -4.8323 -3.4573 -3.4566 -2.1628 -2.1621 -1.7277 -1.7259 0.8005 0.8093 1.0679 1.0864 1.6810 1.6840 1.9552 1.9675 2.8793 2.8850 2.9338 2.9368 3.8261 3.8270 4.0987 4.1144 5.0955 5.0983 5.9346 5.9426 6.6120 6.6139 6.6649 6.6835 8.4101 8.4305 8.7680 8.7777 9.3520 9.3724 9.6304 9.6334 9.8376 9.8552 10.3515 10.3557 10.9537 10.9586 11.3482 11.3511 k = 0.2520 0.4365-0.0000 ( 3764 PWs) bands (ev): -9.3944 -9.3943 -8.4915 -8.4915 -7.7414 -7.7411 -5.3987 -5.3986 -5.3239 -5.3237 -4.8131 -4.8128 -3.4250 -3.4243 -2.1777 -2.1771 -1.6959 -1.6941 0.7641 0.7726 1.0435 1.0622 1.6172 1.6199 1.9656 1.9785 2.8785 2.8857 2.9715 2.9733 3.8325 3.8327 4.0966 4.1126 5.1421 5.1448 5.9043 5.9126 6.5845 6.5853 6.6823 6.7018 8.3832 8.4037 8.7538 8.7641 9.4037 9.4248 9.5929 9.5966 9.8317 9.8494 10.3843 10.3888 10.9569 10.9619 11.3815 11.3846 k = 0.2439 0.4225-0.0000 ( 3764 PWs) bands (ev): -9.4408 -9.4406 -8.4389 -8.4389 -7.7177 -7.7174 -5.4284 -5.4283 -5.3534 -5.3532 -4.7932 -4.7930 -3.3916 -3.3908 -2.1923 -2.1916 -1.6629 -1.6611 0.7282 0.7363 1.0184 1.0371 1.5521 1.5545 1.9712 1.9848 2.8743 2.8825 3.0109 3.0119 3.8405 3.8419 4.0936 4.1099 5.1897 5.1921 5.8712 5.8796 6.5549 6.5552 6.7037 6.7237 8.3611 8.3815 8.7400 8.7507 9.4498 9.4718 9.5549 9.5593 9.8280 9.8455 10.4178 10.4225 10.9663 10.9712 11.4156 11.4190 k = 0.2358 0.4084-0.0000 ( 3776 PWs) bands (ev): -9.4865 -9.4864 -8.3853 -8.3852 -7.6930 -7.6927 -5.4585 -5.4583 -5.3842 -5.3839 -4.7732 -4.7729 -3.3574 -3.3566 -2.2067 -2.2061 -1.6288 -1.6270 0.6930 0.7007 0.9926 1.0114 1.4863 1.4883 1.9727 1.9868 2.8671 2.8762 3.0503 3.0508 3.8501 3.8524 4.0902 4.1067 5.2377 5.2398 5.8358 5.8442 6.5235 6.5249 6.7285 6.7488 8.3442 8.3645 8.7265 8.7374 9.4876 9.5102 9.5176 9.5223 9.8289 9.8457 10.4519 10.4569 10.9820 10.9866 11.4498 11.4536 k = 0.2276 0.3943-0.0000 ( 3772 PWs) bands (ev): -9.5316 -9.5314 -8.3307 -8.3306 -7.6675 -7.6672 -5.4887 -5.4886 -5.4159 -5.4156 -4.7530 -4.7527 -3.3229 -3.3220 -2.2212 -2.2206 -1.5933 -1.5915 0.6585 0.6658 0.9666 0.9854 1.4203 1.4219 1.9705 1.9851 2.8575 2.8674 3.0881 3.0881 3.8603 3.8635 4.0868 4.1036 5.2856 5.2876 5.7983 5.8066 6.4919 6.4945 6.7562 6.7767 8.3328 8.3528 8.7133 8.7244 9.4779 9.4822 9.5191 9.5415 9.8367 9.8526 10.4867 10.4919 11.0038 11.0079 11.4838 11.4880 k = 0.2195 0.3802-0.0000 ( 3788 PWs) bands (ev): -9.5758 -9.5756 -8.2753 -8.2752 -7.6413 -7.6410 -5.5190 -5.5188 -5.4482 -5.4479 -4.7328 -4.7326 -3.2883 -3.2874 -2.2361 -2.2355 -1.5564 -1.5547 0.6250 0.6319 0.9404 0.9590 1.3546 1.3558 1.9653 1.9803 2.8462 2.8567 3.1222 3.1225 3.8704 3.8744 4.0839 4.1008 5.3332 5.3351 5.7590 5.7672 6.4609 6.4647 6.7862 6.8068 8.3270 8.3466 8.7003 8.7115 9.4401 9.4456 9.5369 9.5606 9.8529 9.8679 10.5219 10.5275 11.0314 11.0350 11.5167 11.5215 k = 0.2114 0.3661-0.0000 ( 3780 PWs) bands (ev): -9.6190 -9.6189 -8.2191 -8.2191 -7.6145 -7.6142 -5.5491 -5.5490 -5.4810 -5.4807 -4.7127 -4.7125 -3.2539 -3.2531 -2.2514 -2.2508 -1.5180 -1.5164 0.5926 0.5990 0.9141 0.9326 1.2898 1.2905 1.9577 1.9731 2.8338 2.8447 3.1516 3.1523 3.8799 3.8845 4.0818 4.0989 5.3801 5.3819 5.7182 5.7261 6.4316 6.4364 6.8184 6.8388 8.3267 8.3460 8.6873 8.6985 9.4034 9.4094 9.5459 9.5699 9.8771 9.8915 10.5577 10.5635 11.0646 11.0674 11.5481 11.5535 k = 0.2033 0.3520-0.0000 ( 3780 PWs) bands (ev): -9.6612 -9.6611 -8.1624 -8.1623 -7.5872 -7.5869 -5.5791 -5.5789 -5.5139 -5.5136 -4.6928 -4.6926 -3.2201 -3.2192 -2.2675 -2.2669 -1.4780 -1.4765 0.5614 0.5674 0.8878 0.9061 1.2262 1.2264 1.9481 1.9638 2.8206 2.8319 3.1751 3.1760 3.8881 3.8933 4.0808 4.0980 5.4254 5.4274 5.6760 5.6836 6.4052 6.4109 6.8521 6.8724 8.3316 8.3504 8.6739 8.6850 9.3684 9.3749 9.5484 9.5721 9.9073 9.9212 10.5938 10.5999 11.1027 11.1048 11.5773 11.5833 k = 0.1951 0.3380-0.0000 ( 3776 PWs) bands (ev): -9.7023 -9.7021 -8.1051 -8.1050 -7.5597 -7.5594 -5.6087 -5.6086 -5.5469 -5.5465 -4.6732 -4.6730 -3.1870 -3.1862 -2.2844 -2.2839 -1.4364 -1.4350 0.5315 0.5370 0.8615 0.8795 1.1638 1.1641 1.9370 1.9528 2.8070 2.8186 3.1916 3.1928 3.8947 3.9003 4.0811 4.0985 5.4682 5.4706 5.6327 5.6398 6.3831 6.3896 6.8871 6.9071 8.3411 8.3594 8.6600 8.6708 9.3361 9.3431 9.5477 9.5708 9.9409 9.9544 10.6301 10.6365 11.1454 11.1465 11.6036 11.6104 k = 0.1870 0.3239-0.0000 ( 3772 PWs) bands (ev): -9.7421 -9.7419 -8.0474 -8.0474 -7.5320 -7.5317 -5.6380 -5.6378 -5.5796 -5.5793 -4.6540 -4.6538 -3.1549 -3.1541 -2.3025 -2.3019 -1.3931 -1.3918 0.5031 0.5081 0.8353 0.8530 1.1032 1.1039 1.9246 1.9406 2.7934 2.8052 3.2007 3.2022 3.8996 3.9056 4.0829 4.1004 5.5064 5.5098 5.5888 5.5951 6.3674 6.3743 6.9230 6.9426 8.3541 8.3718 8.6449 8.6554 9.3075 9.3149 9.5465 9.5688 9.9758 9.9890 10.6664 10.6732 11.1919 11.1921 11.6266 11.6341 k = 0.1789 0.3098-0.0000 ( 3768 PWs) bands (ev): -9.7806 -9.7805 -7.9895 -7.9895 -7.5042 -7.5039 -5.6667 -5.6665 -5.6120 -5.6116 -4.6352 -4.6350 -3.1239 -3.1231 -2.3218 -2.3212 -1.3481 -1.3470 0.4763 0.4808 0.8092 0.8266 1.0447 1.0460 1.9111 1.9274 2.7799 2.7919 3.2021 3.2039 3.9027 3.9088 4.0864 4.1040 5.5305 5.5405 5.5518 5.5521 6.3603 6.3675 6.9595 6.9787 8.3694 8.3865 8.6284 8.6384 9.2841 9.2917 9.5472 9.5685 10.0105 10.0234 10.7026 10.7097 11.2410 11.2416 11.6460 11.6543 k = 0.1707 0.2957-0.0000 ( 3764 PWs) bands (ev): -9.8178 -9.8176 -7.9316 -7.9315 -7.4765 -7.4762 -5.6948 -5.6946 -5.6439 -5.6435 -4.6169 -4.6167 -3.0941 -3.0933 -2.3424 -2.3418 -1.3015 -1.3005 0.4513 0.4552 0.7833 0.8002 0.9886 0.9904 1.8968 1.9132 2.7669 2.7789 3.1959 3.1980 3.9039 3.9102 4.0917 4.1095 5.4941 5.5019 5.5661 5.5691 6.3646 6.3715 6.9964 7.0150 8.3852 8.4016 8.6100 8.6195 9.2674 9.2751 9.5511 9.5714 10.0440 10.0565 10.7383 10.7457 11.2923 11.2940 11.6616 11.6706 k = 0.1626 0.2816-0.0000 ( 3764 PWs) bands (ev): -9.8535 -9.8534 -7.8737 -7.8737 -7.4489 -7.4486 -5.7222 -5.7220 -5.6752 -5.6748 -4.5991 -4.5990 -3.0657 -3.0650 -2.3645 -2.3639 -1.2533 -1.2525 0.4281 0.4315 0.7576 0.7740 0.9351 0.9374 1.8818 1.8982 2.7545 2.7665 3.1825 3.1849 3.9032 3.9096 4.0990 4.1169 5.4480 5.4549 5.5785 5.5835 6.3821 6.3885 7.0333 7.0513 8.3998 8.4153 8.5897 8.5985 9.2590 9.2667 9.5593 9.5785 10.0756 10.0876 10.7733 10.7810 11.3452 11.3479 11.6734 11.6830 k = 0.1545 0.2676-0.0000 ( 3768 PWs) bands (ev): -9.8878 -9.8876 -7.8160 -7.8160 -7.4217 -7.4214 -5.7488 -5.7487 -5.7057 -5.7054 -4.5820 -4.5820 -3.0387 -3.0381 -2.3879 -2.3873 -1.2035 -1.2029 0.4068 0.4096 0.7321 0.7480 0.8843 0.8871 1.8660 1.8825 2.7427 2.7546 3.1626 3.1654 3.9008 3.9072 4.1083 4.1263 5.4011 5.4075 5.5794 5.5860 6.4139 6.4195 7.0700 7.0873 8.4112 8.4257 8.5674 8.5755 9.2606 9.2681 9.5721 9.5904 10.1049 10.1162 10.8072 10.8152 11.3986 11.4024 11.6815 11.6917 k = 0.1463 0.2535-0.0000 ( 3768 PWs) bands (ev): -9.9205 -9.9204 -7.7589 -7.7589 -7.3948 -7.3945 -5.7747 -5.7745 -5.7355 -5.7351 -4.5656 -4.5656 -3.0132 -3.0126 -2.4127 -2.4121 -1.1524 -1.1519 0.3876 0.3899 0.7069 0.7223 0.8364 0.8396 1.8494 1.8660 2.7317 2.7435 3.1370 3.1401 3.8968 3.9031 4.1197 4.1378 5.3541 5.3601 5.5684 5.5767 6.4595 6.4642 7.1062 7.1228 8.4180 8.4313 8.5432 8.5507 9.2734 9.2803 9.5898 9.6071 10.1315 10.1422 10.8397 10.8480 11.4509 11.4557 11.6864 11.6971 k = 0.1382 0.2394-0.0000 ( 3762 PWs) bands (ev): -9.9517 -9.9515 -7.7023 -7.7023 -7.3685 -7.3682 -5.7996 -5.7995 -5.7643 -5.7639 -4.5500 -4.5499 -2.9893 -2.9887 -2.4388 -2.4382 -1.1000 -1.0997 0.3705 0.3722 0.6821 0.6969 0.7912 0.7950 1.8321 1.8486 2.7215 2.7331 3.1067 3.1101 3.8914 3.8976 4.1332 4.1514 5.3072 5.3128 5.5468 5.5567 6.5170 6.5209 7.1417 7.1575 8.4191 8.4311 8.5175 8.5242 9.2979 9.3042 9.6120 9.6285 10.1555 10.1652 10.8704 10.8789 11.4998 11.5054 11.6885 11.6995 k = 0.1301 0.2253-0.0000 ( 3756 PWs) bands (ev): -9.9812 -9.9811 -7.6467 -7.6467 -7.3427 -7.3425 -5.8237 -5.8235 -5.7920 -5.7917 -4.5351 -4.5351 -2.9668 -2.9663 -2.4661 -2.4654 -1.0466 -1.0465 0.3555 0.3566 0.6578 0.6719 0.7489 0.7532 1.8140 1.8304 2.7122 2.7235 3.0727 3.0764 3.8847 3.8908 4.1489 4.1672 5.2609 5.2662 5.5165 5.5277 6.5839 6.5871 7.1763 7.1913 8.4143 8.4249 8.4906 8.4966 9.3338 9.3393 9.6384 9.6542 10.1766 10.1854 10.8989 10.9075 11.5422 11.5482 11.6884 11.6996 k = 0.1220 0.2112-0.0000 ( 3750 PWs) bands (ev): -10.0092 -10.0091 -7.5922 -7.5921 -7.3177 -7.3175 -5.8467 -5.8465 -5.8187 -5.8183 -4.5210 -4.5210 -2.9459 -2.9455 -2.4942 -2.4936 -0.9925 -0.9924 0.3427 0.3432 0.6340 0.6474 0.7094 0.7142 1.7950 1.8113 2.7037 2.7147 3.0359 3.0400 3.8769 3.8828 4.1668 4.1851 5.2154 5.2203 5.4793 5.4916 6.6578 6.6603 7.2097 7.2238 8.4042 8.4135 8.4630 8.4684 9.3802 9.3850 9.6682 9.6834 10.1950 10.2026 10.9247 10.9334 11.5756 11.5814 11.6864 11.6978 k = 0.1138 0.1971-0.0000 ( 3744 PWs) bands (ev): -10.0354 -10.0353 -7.5390 -7.5390 -7.2936 -7.2934 -5.8686 -5.8684 -5.8441 -5.8438 -4.5079 -4.5079 -2.9266 -2.9262 -2.5231 -2.5224 -0.9379 -0.9376 0.3320 0.3321 0.6108 0.6234 0.6727 0.6779 1.7751 1.7912 2.6961 2.7067 2.9975 3.0018 3.8683 3.8740 4.1868 4.2052 5.1712 5.1758 5.4370 5.4502 6.7360 6.7380 7.2416 7.2548 8.3897 8.3977 8.4352 8.4400 9.4356 9.4397 9.7007 9.7155 10.2108 10.2171 10.9476 10.9563 11.5990 11.6041 11.6834 11.6948 k = 0.1057 0.1831-0.0000 ( 3744 PWs) bands (ev): -10.0600 -10.0599 -7.4875 -7.4874 -7.2704 -7.2702 -5.8895 -5.8893 -5.8683 -5.8680 -4.4956 -4.4956 -2.9087 -2.9083 -2.5524 -2.5517 -0.8831 -0.8827 0.3228 0.3235 0.5883 0.6000 0.6387 0.6443 1.7542 1.7700 2.6893 2.6995 2.9584 2.9629 3.8589 3.8644 4.2090 4.2274 5.1284 5.1327 5.3909 5.4049 6.8166 6.8181 7.2720 7.2843 8.3721 8.3789 8.4078 8.4121 9.4984 9.5019 9.7351 9.7497 10.2241 10.2290 10.9670 10.9755 11.6143 11.6185 11.6796 11.6909 k = 0.0976 0.1690-0.0000 ( 3744 PWs) bands (ev): -10.0828 -10.0827 -7.4379 -7.4378 -7.2483 -7.2481 -5.9091 -5.9089 -5.8912 -5.8908 -4.4843 -4.4842 -2.8923 -2.8920 -2.5817 -2.5810 -0.8286 -0.8280 0.3157 0.3169 0.5665 0.5774 0.6072 0.6133 1.7325 1.7479 2.6834 2.6931 2.9195 2.9241 3.8491 3.8543 4.2332 4.2516 5.0876 5.0915 5.3421 5.3567 6.8975 6.8987 7.3005 7.3118 8.3525 8.3583 8.3812 8.3851 9.5670 9.5699 9.7707 9.7850 10.2351 10.2386 10.9826 10.9910 11.6239 11.6274 11.6756 11.6865 k = 0.0894 0.1549-0.0000 ( 3746 PWs) bands (ev): -10.1039 -10.1038 -7.3905 -7.3905 -7.2274 -7.2273 -5.9276 -5.9274 -5.9126 -5.9122 -4.4739 -4.4738 -2.8774 -2.8771 -2.6107 -2.6101 -0.7746 -0.7738 0.3104 0.3122 0.5456 0.5556 0.5783 0.5848 1.7100 1.7249 2.6783 2.6875 2.8816 2.8863 3.8390 3.8439 4.2595 4.2779 5.0489 5.0525 5.2915 5.3067 6.9771 6.9780 7.3271 7.3373 8.3321 8.3371 8.3560 8.3594 9.6399 9.6422 9.8065 9.8208 10.2442 10.2461 10.9942 11.0022 11.6300 11.6330 11.6715 11.6820 k = 0.0813 0.1408-0.0000 ( 3750 PWs) bands (ev): -10.1232 -10.1232 -7.3457 -7.3456 -7.2078 -7.2077 -5.9448 -5.9446 -5.9325 -5.9322 -4.4644 -4.4643 -2.8639 -2.8637 -2.6390 -2.6384 -0.7217 -0.7208 0.3070 0.3092 0.5256 0.5346 0.5517 0.5586 1.6870 1.7012 2.6740 2.6825 2.8454 2.8501 3.8288 3.8333 4.2877 4.3060 5.0127 5.0160 5.2399 5.2554 7.0539 7.0544 7.3515 7.3607 8.3120 8.3162 8.3324 8.3354 9.7154 9.7173 9.8419 9.8562 10.2515 10.2518 11.0015 11.0090 11.6341 11.6366 11.6676 11.6775 k = 0.0732 0.1267-0.0000 ( 3762 PWs) bands (ev): -10.1408 -10.1407 -7.3037 -7.3037 -7.1897 -7.1895 -5.9607 -5.9605 -5.9508 -5.9505 -4.4559 -4.4558 -2.8518 -2.8516 -2.6663 -2.6657 -0.6704 -0.6694 0.3052 0.3079 0.5068 0.5148 0.5275 0.5347 1.6636 1.6770 2.6703 2.6782 2.8116 2.8161 3.8187 3.8228 4.3177 4.3360 4.9792 4.9822 5.1877 5.2036 7.1264 7.1266 7.3736 7.3818 8.2930 8.2965 8.3107 8.3134 9.7922 9.7936 9.8763 9.8903 10.2562 10.2575 11.0044 11.0113 11.6368 11.6391 11.6640 11.6732 k = 0.0650 0.1127-0.0000 ( 3770 PWs) bands (ev): -10.1565 -10.1564 -7.2649 -7.2649 -7.1730 -7.1729 -5.9752 -5.9750 -5.9674 -5.9672 -4.4484 -4.4483 -2.8410 -2.8409 -2.6920 -2.6914 -0.6213 -0.6203 0.3048 0.3080 0.4891 0.4961 0.5055 0.5129 1.6404 1.6528 2.6673 2.6744 2.7806 2.7849 3.8089 3.8127 4.3495 4.3676 4.9487 4.9514 5.1356 5.1518 7.1933 7.1934 7.3935 7.4005 8.2756 8.2786 8.2913 8.2937 9.8688 9.8693 9.9094 9.9227 10.2595 10.2623 11.0029 11.0091 11.6388 11.6409 11.6607 11.6691 k = 0.0569 0.0986-0.0000 ( 3772 PWs) bands (ev): -10.1704 -10.1704 -7.2297 -7.2296 -7.1580 -7.1579 -5.9882 -5.9880 -5.9823 -5.9821 -4.4417 -4.4416 -2.8316 -2.8315 -2.7158 -2.7153 -0.5752 -0.5742 0.3058 0.3093 0.4728 0.4788 0.4856 0.4931 1.6178 1.6291 2.6649 2.6712 2.7528 2.7568 3.7997 3.8030 4.3827 4.4006 4.9214 4.9238 5.0841 5.1003 7.2535 7.2538 7.4112 7.4171 8.2605 8.2629 8.2744 8.2764 9.9317 9.9406 9.9518 9.9557 10.2621 10.2662 10.9972 11.0027 11.6403 11.6422 11.6577 11.6652 k = 0.0488 0.0845-0.0000 ( 3772 PWs) bands (ev): -10.1825 -10.1825 -7.1983 -7.1983 -7.1448 -7.1447 -5.9997 -5.9995 -5.9954 -5.9952 -4.4361 -4.4360 -2.8235 -2.8234 -2.7373 -2.7368 -0.5328 -0.5318 0.3078 0.3115 0.4580 0.4631 0.4679 0.4753 1.5963 1.6064 2.6630 2.6685 2.7285 2.7320 3.7912 3.7941 4.4172 4.4347 4.8975 4.8995 5.0336 5.0497 7.3060 7.3067 7.4268 7.4314 8.2478 8.2497 8.2599 8.2617 9.9620 9.9757 10.0192 10.0206 10.2645 10.2694 10.9877 10.9924 11.6413 11.6431 11.6550 11.6616 k = 0.0407 0.0704-0.0000 ( 3780 PWs) bands (ev): -10.1927 -10.1927 -7.1711 -7.1711 -7.1334 -7.1333 -6.0096 -6.0094 -6.0067 -6.0065 -4.4313 -4.4312 -2.8166 -2.8166 -2.7561 -2.7557 -0.4948 -0.4939 0.3107 0.3145 0.4448 0.4491 0.4524 0.4594 1.5767 1.5854 2.6615 2.6661 2.7080 2.7109 3.7836 3.7861 4.4524 4.4694 4.8771 4.8788 4.9848 5.0007 7.3501 7.3511 7.4405 7.4440 8.2376 8.2390 8.2481 8.2494 9.9856 9.9983 10.0868 10.0879 10.2667 10.2721 10.9751 10.9790 11.6420 11.6435 11.6529 11.6583 k = 0.0325 0.0563-0.0000 ( 3787 PWs) bands (ev): -10.2011 -10.2011 -7.1484 -7.1484 -7.1239 -7.1239 -6.0178 -6.0177 -6.0159 -6.0158 -4.4274 -4.4273 -2.8111 -2.8110 -2.7720 -2.7717 -0.4621 -0.4613 0.3141 0.3179 0.4336 0.4371 0.4392 0.4455 1.5596 1.5667 2.6604 2.6639 2.6913 2.6936 3.7772 3.7792 4.4878 4.5039 4.8602 4.8616 4.9387 4.9539 7.3850 7.3864 7.4529 7.4551 8.2298 8.2307 8.2388 8.2398 10.0052 10.0163 10.1481 10.1490 10.2689 10.2742 10.9605 10.9636 11.6423 11.6435 11.6514 11.6556 k = 0.0244 0.0422-0.0000 ( 3791 PWs) bands (ev): -10.2077 -10.2076 -7.1305 -7.1305 -7.1164 -7.1164 -6.0243 -6.0242 -6.0232 -6.0231 -4.4244 -4.4244 -2.8067 -2.8067 -2.7846 -2.7844 -0.4356 -0.4350 0.3178 0.3213 0.4247 0.4273 0.4284 0.4337 1.5458 1.5512 2.6594 2.6618 2.6789 2.6803 3.7721 3.7736 4.5222 4.5367 4.8471 4.8481 4.8966 4.9105 7.4103 7.4120 7.4642 7.4652 8.2240 8.2245 8.2321 8.2326 10.0207 10.0297 10.2005 10.2012 10.2711 10.2758 10.9454 10.9478 11.6423 11.6429 11.6506 11.6535 k = 0.0163 0.0282-0.0000 ( 3791 PWs) bands (ev): -10.2123 -10.2123 -7.1176 -7.1176 -7.1109 -7.1109 -6.0290 -6.0290 -6.0283 -6.0283 -4.4223 -4.4223 -2.8037 -2.8037 -2.7938 -2.7936 -0.4160 -0.4155 0.3214 0.3240 0.4182 0.4201 0.4205 0.4243 1.5356 1.5393 2.6583 2.6594 2.6708 2.6713 3.7684 3.7694 4.5536 4.5653 4.8378 4.8384 4.8614 4.8728 7.4266 7.4281 7.4740 7.4743 8.2200 8.2202 8.2277 8.2279 10.0323 10.0386 10.2412 10.2416 10.2733 10.2767 10.9321 10.9337 11.6420 11.6422 11.6503 11.6520 k = 0.0081 0.0141-0.0000 ( 3803 PWs) bands (ev): -10.2151 -10.2151 -7.1102 -7.1102 -7.1072 -7.1072 -6.0320 -6.0319 -6.0314 -6.0314 -4.4210 -4.4210 -2.8019 -2.8019 -2.7993 -2.7992 -0.4039 -0.4036 0.3242 0.3257 0.4147 0.4155 0.4156 0.4178 1.5297 1.5316 2.6568 2.6570 2.6668 2.6669 3.7663 3.7668 4.5781 4.5850 4.8322 4.8325 4.8376 4.8445 7.4355 7.4363 7.4809 7.4809 8.2176 8.2176 8.2252 8.2252 10.0400 10.0432 10.2672 10.2674 10.2750 10.2769 10.9229 10.9237 11.6416 11.6416 11.6504 11.6511 k = 0.0000 0.0000 0.0000 ( 3807 PWs) bands (ev): -10.2161 -10.2161 -7.1081 -7.1081 -7.1056 -7.1056 -6.0330 -6.0330 -6.0324 -6.0324 -4.4206 -4.4206 -2.8016 -2.8016 -2.8009 -2.8009 -0.3997 -0.3997 0.3257 0.3257 0.4140 0.4140 0.4145 0.4145 1.5283 1.5283 2.6560 2.6560 2.6657 2.6657 3.7657 3.7657 4.5900 4.5900 4.8304 4.8304 4.8314 4.8314 7.4385 7.4385 7.4833 7.4833 8.2168 8.2168 8.2244 8.2244 10.0436 10.0436 10.2758 10.2758 10.2767 10.2767 10.9198 10.9198 11.6414 11.6414 11.6506 11.6506 k = 0.0000 0.0000 0.0000 ( 3807 PWs) bands (ev): -10.2161 -10.2161 -7.1081 -7.1081 -7.1056 -7.1056 -6.0330 -6.0330 -6.0324 -6.0324 -4.4206 -4.4206 -2.8016 -2.8016 -2.8009 -2.8009 -0.3997 -0.3997 0.3257 0.3257 0.4140 0.4140 0.4145 0.4145 1.5283 1.5283 2.6560 2.6560 2.6657 2.6657 3.7657 3.7657 4.5900 4.5900 4.8304 4.8304 4.8314 4.8314 7.4385 7.4385 7.4833 7.4833 8.2168 8.2168 8.2244 8.2244 10.0436 10.0436 10.2758 10.2758 10.2767 10.2767 10.9198 10.9198 11.6414 11.6414 11.6506 11.6506 k = 0.0000 0.0000 0.0164 ( 3807 PWs) bands (ev): -10.2150 -10.2150 -7.1704 -7.1679 -7.0484 -7.0459 -6.0647 -6.0642 -5.9970 -5.9963 -4.4226 -4.4226 -2.8920 -2.8915 -2.7122 -2.7113 -0.4055 -0.4035 0.3325 0.3349 0.3774 0.3777 0.4533 0.4542 1.5252 1.5276 2.5802 2.5896 2.7328 2.7427 3.7660 3.7676 4.5934 4.5936 4.7924 4.7944 4.8678 4.8679 7.3875 7.4321 7.4896 7.5348 8.1796 8.1873 8.2473 8.2547 10.0190 10.0201 10.2297 10.2309 10.3190 10.3196 10.9379 10.9404 11.6038 11.6128 11.6757 11.6850 k = 0.0000 0.0000 0.0329 ( 3801 PWs) bands (ev): -10.2118 -10.2117 -7.2352 -7.2327 -6.9913 -6.9888 -6.0922 -6.0918 -5.9569 -5.9562 -4.4287 -4.4287 -2.9835 -2.9830 -2.6240 -2.6231 -0.4200 -0.4162 0.3412 0.3435 0.3546 0.3620 0.4950 0.4965 1.5183 1.5230 2.5060 2.5151 2.8101 2.8201 3.7686 3.7718 4.6037 4.6042 4.7546 4.7577 4.9030 4.9038 7.3374 7.3819 7.5403 7.5861 8.1355 8.1431 8.2713 8.2784 9.9522 9.9541 10.1805 10.1818 10.3595 10.3599 10.9887 10.9934 11.5630 11.5717 11.7065 11.7158 k = 0.0000 0.0000 0.0493 ( 3801 PWs) bands (ev): -10.2064 -10.2063 -7.3024 -7.2999 -6.9366 -6.9342 -6.1154 -6.1150 -5.9131 -5.9123 -4.4388 -4.4387 -3.0757 -3.0753 -2.5373 -2.5362 -0.4413 -0.4361 0.3108 0.3125 0.3901 0.3986 0.5389 0.5410 1.5080 1.5151 2.4339 2.4427 2.8875 2.8976 3.7733 3.7780 4.6209 4.6214 4.7178 4.7224 4.9358 4.9374 7.2887 7.3332 7.5898 7.6364 8.0847 8.0918 8.2891 8.2956 9.8550 9.8576 10.1281 10.1297 10.3976 10.3980 11.0598 11.0665 11.5195 11.5279 11.7337 11.7429 k = 0.0000 0.0000 0.0657 ( 3807 PWs) bands (ev): -10.1988 -10.1987 -7.3718 -7.3694 -6.8842 -6.8818 -6.1343 -6.1339 -5.8659 -5.8649 -4.4527 -4.4526 -3.1686 -3.1683 -2.4520 -2.4508 -0.4671 -0.4610 0.2822 0.2842 0.4362 0.4464 0.5844 0.5872 1.4953 1.5044 2.3648 2.3731 2.9645 2.9746 3.7802 3.7862 4.6439 4.6448 4.6827 4.6901 4.9654 4.9678 7.2422 7.2868 7.6371 7.6851 8.0274 8.0336 8.3008 8.3066 9.7379 9.7409 10.0727 10.0745 10.4336 10.4342 11.1395 11.1484 11.4739 11.4818 11.7572 11.7664 k = 0.0000 0.0000 0.0822 ( 3783 PWs) bands (ev): -10.1890 -10.1889 -7.4432 -7.4409 -6.8337 -6.8314 -6.1490 -6.1487 -5.8156 -5.8146 -4.4705 -4.4704 -3.2619 -3.2617 -2.3682 -2.3669 -0.4954 -0.4886 0.2563 0.2587 0.4897 0.5013 0.6310 0.6345 1.4811 1.4923 2.2995 2.3073 3.0408 3.0508 3.7890 3.7962 4.6498 4.6499 4.6751 4.6833 4.9908 4.9939 7.1986 7.2434 7.6806 7.7308 7.9653 7.9696 8.3066 8.3115 9.6081 9.6114 10.0145 10.0168 10.4677 10.4687 11.2196 11.2309 11.4268 11.4341 11.7772 11.7862 k = 0.0000 0.0000 0.0986 ( 3783 PWs) bands (ev): -10.1771 -10.1770 -7.5164 -7.5141 -6.7850 -6.7828 -6.1598 -6.1594 -5.7628 -5.7617 -4.4919 -4.4918 -3.3554 -3.3554 -2.2862 -2.2847 -0.5244 -0.5172 0.2330 0.2358 0.5476 0.5602 0.6777 0.6819 1.4672 1.4801 2.2392 2.2463 3.1158 3.1258 3.7996 3.8079 4.6199 4.6245 4.7114 4.7168 5.0109 5.0147 7.1585 7.2036 7.7148 7.7683 7.9035 7.9048 8.3063 8.3103 9.4698 9.4733 9.9542 9.9569 10.5000 10.5016 11.2937 11.3081 11.3789 11.3858 11.7936 11.8024 k = 0.0000 0.0000 0.1150 ( 3765 PWs) bands (ev): -10.1631 -10.1630 -7.5911 -7.5889 -6.7377 -6.7355 -6.1667 -6.1663 -5.7080 -5.7067 -4.5169 -4.5168 -3.4491 -3.4491 -2.2059 -2.2043 -0.5529 -0.5456 0.2122 0.2154 0.6066 0.6198 0.7232 0.7285 1.4559 1.4701 2.1851 2.1914 3.1893 3.1992 3.8119 3.8211 4.5935 4.5998 4.7535 4.7588 5.0249 5.0295 7.1226 7.1680 7.7195 7.7670 7.8622 7.8699 8.2999 8.3028 9.3260 9.3296 9.8926 9.8957 10.5307 10.5329 11.3310 11.3345 11.3604 11.3755 11.8065 11.8151 k = 0.0000 0.0000 0.1314 ( 3753 PWs) bands (ev): -10.1469 -10.1467 -7.6670 -7.6649 -6.6915 -6.6893 -6.1699 -6.1695 -5.6518 -5.6504 -4.5453 -4.5451 -3.5429 -3.5428 -2.1274 -2.1256 -0.5801 -0.5727 0.1938 0.1974 0.6631 0.6763 0.7663 0.7726 1.4502 1.4652 2.1389 2.1442 3.2610 3.2707 3.8256 3.8356 4.5711 4.5788 4.8008 4.8065 5.0320 5.0372 7.0913 7.1371 7.6690 7.6999 7.8676 7.8921 8.2870 8.2887 9.1784 9.1821 9.8307 9.8343 10.5595 10.5625 11.2840 11.2881 11.4094 11.4296 11.8159 11.8243 k = 0.0000 0.0000 0.1479 ( 3753 PWs) bands (ev): -10.1286 -10.1284 -7.7439 -7.7418 -6.6459 -6.6439 -6.1696 -6.1692 -5.5946 -5.5930 -4.5768 -4.5766 -3.6364 -3.6362 -2.0506 -2.0487 -0.6052 -0.5980 0.1777 0.1816 0.7130 0.7254 0.8049 0.8124 1.4541 1.4690 2.1024 2.1066 3.3304 3.3399 3.8406 3.8511 4.5531 4.5620 4.8529 4.8593 5.0315 5.0372 7.0649 7.1111 7.5863 7.6103 7.8970 7.9285 8.2672 8.2675 9.0286 9.0323 9.7699 9.7739 10.5862 10.5902 11.2385 11.2417 11.4439 11.4680 11.8219 11.8301 k = 0.0000 0.0000 0.1643 ( 3747 PWs) bands (ev): -10.1081 -10.1079 -7.8215 -7.8195 -6.6008 -6.5989 -6.1660 -6.1656 -5.5369 -5.5353 -4.6113 -4.6111 -3.7294 -3.7292 -1.9757 -1.9736 -0.6281 -0.6210 0.1636 0.1678 0.7523 0.7629 0.8371 0.8460 1.4716 1.4853 2.0778 2.0806 3.3974 3.4066 3.8564 3.8676 4.5398 4.5499 4.9092 4.9164 5.0229 5.0290 7.0434 7.0901 7.4905 7.5117 7.9317 7.9661 8.2388 8.2400 8.8775 8.8812 9.7117 9.7161 10.6106 10.6156 11.1952 11.1975 11.4618 11.4895 11.8246 11.8325 k = 0.0000 0.0000 0.1807 ( 3747 PWs) bands (ev): -10.0855 -10.0853 -7.8996 -7.8977 -6.5559 -6.5540 -6.1592 -6.1587 -5.4794 -5.4777 -4.6485 -4.6483 -3.8219 -3.8216 -1.9025 -1.9004 -0.6484 -0.6415 0.1513 0.1559 0.7775 0.7853 0.8609 0.8712 1.5060 1.5175 2.0669 2.0684 3.4617 3.4706 3.8730 3.8846 4.5314 4.5427 4.9682 4.9776 5.0070 5.0123 7.0268 7.0740 7.3872 7.4072 7.9669 8.0028 8.2020 8.2047 8.7263 8.7298 9.6578 9.6626 10.6324 10.6384 11.1549 11.1561 11.4635 11.4943 11.8242 11.8319 k = 0.0000 0.0000 0.1972 ( 3747 PWs) bands (ev): -10.0608 -10.0606 -7.9779 -7.9761 -6.5108 -6.5090 -6.1493 -6.1488 -5.4225 -5.4207 -4.6883 -4.6880 -3.9136 -3.9133 -1.8312 -1.8289 -0.6661 -0.6595 0.1409 0.1457 0.7874 0.7917 0.8747 0.8864 1.5582 1.5668 2.0714 2.0715 3.5233 3.5319 3.8900 3.9019 4.5280 4.5405 4.9774 4.9870 5.0360 5.0422 7.0145 7.0621 7.2786 7.2979 8.0011 8.0379 8.1567 8.1607 8.5758 8.5789 9.6099 9.6151 10.6513 10.6583 11.1180 11.1181 11.4505 11.4838 11.8209 11.8282 k = 0.0000 0.0000 0.2136 ( 3735 PWs) bands (ev): -10.0340 -10.0337 -8.0564 -8.0546 -6.4654 -6.4636 -6.1365 -6.1360 -5.3666 -5.3647 -4.7303 -4.7299 -4.0043 -4.0039 -1.7615 -1.7592 -0.6811 -0.6748 0.1320 0.1370 0.7829 0.7836 0.8776 0.8907 1.6268 1.6323 2.0909 2.0921 3.5822 3.5905 3.9070 3.9192 4.5296 4.5431 4.9440 4.9534 5.1023 5.1100 7.0059 7.0539 7.1660 7.1851 8.0334 8.0706 8.1029 8.1078 8.4272 8.4293 9.5695 9.5751 10.6669 10.6750 11.0839 11.0850 11.4247 11.4598 11.8150 11.8220 k = 0.0000 0.0000 0.2300 ( 3734 PWs) bands (ev): -10.0051 -10.0048 -8.1347 -8.1331 -6.4195 -6.4178 -6.1209 -6.1204 -5.3124 -5.3105 -4.7743 -4.7739 -4.0938 -4.0934 -1.6936 -1.6912 -0.6937 -0.6877 0.1244 0.1297 0.7640 0.7666 0.8697 0.8839 1.7088 1.7115 2.1264 2.1288 3.6387 3.6465 3.9237 3.9362 4.5357 4.5503 4.9019 4.9116 5.1720 5.1803 7.0002 7.0478 7.0506 7.0702 8.0383 8.0457 8.0625 8.1032 8.2819 8.2824 9.5380 9.5440 10.6793 10.6883 11.0540 11.0561 11.3880 11.4244 11.8068 11.8134 k = 0.0000 0.0000 0.2465 ( 3734 PWs) bands (ev): -9.9741 -9.9738 -8.2128 -8.2112 -6.3728 -6.3712 -6.1027 -6.1021 -5.2602 -5.2583 -4.8201 -4.8197 -4.1819 -4.1814 -1.6273 -1.6249 -0.7039 -0.6984 0.1182 0.1235 0.7360 0.7414 0.8520 0.8672 1.8013 1.8015 2.1769 2.1802 3.6929 3.7003 3.9395 3.9523 4.5460 4.5616 4.8520 4.8623 5.2441 5.2529 6.9333 6.9519 6.9962 7.0450 7.9664 7.9748 8.0758 8.1324 8.1375 8.1548 9.5163 9.5227 10.6882 10.6980 11.0286 11.0317 11.3425 11.3794 11.7966 11.8028 k = 0.0000 0.0000 0.2629 ( 3752 PWs) bands (ev): -9.9411 -9.9408 -8.2905 -8.2890 -6.3254 -6.3239 -6.0819 -6.0813 -5.2107 -5.2088 -4.8675 -4.8671 -4.2681 -4.2675 -1.5627 -1.5602 -0.7120 -0.7069 0.1129 0.1183 0.7022 0.7101 0.8262 0.8422 1.8997 1.9017 2.2405 2.2446 3.7455 3.7525 3.9540 3.9671 4.5595 4.5761 4.7950 4.8059 5.3183 5.3275 6.8151 6.8339 6.9932 7.0419 7.8862 7.8956 7.9823 7.9969 8.1360 8.1599 9.5050 9.5117 10.6938 10.7043 11.0079 11.0120 11.2896 11.3265 11.7848 11.7906 k = 0.0000 0.0000 0.2793 ( 3752 PWs) bands (ev): -9.9060 -9.9057 -8.3676 -8.3661 -6.2771 -6.2757 -6.0586 -6.0581 -5.1646 -5.1626 -4.9162 -4.9157 -4.3521 -4.3514 -1.4998 -1.4972 -0.7184 -0.7137 0.1086 0.1141 0.6649 0.6749 0.7940 0.8106 2.0043 2.0080 2.3154 2.3201 3.7970 3.8034 3.9666 3.9799 4.5755 4.5930 4.7316 4.7431 5.3941 5.4036 6.6971 6.7159 6.9900 7.0386 7.7991 7.8091 7.8511 7.8611 8.1581 8.1855 9.5042 9.5112 10.6964 10.7073 10.9921 10.9971 11.2307 11.2671 11.7719 11.7772 k = 0.0000 0.0000 0.2958 ( 3752 PWs) bands (ev): -9.8689 -9.8685 -8.4440 -8.4426 -6.2279 -6.2265 -6.0330 -6.0324 -5.1225 -5.1206 -4.9659 -4.9655 -4.4331 -4.4324 -1.4384 -1.4358 -0.7233 -0.7190 0.1051 0.1105 0.6256 0.6374 0.7573 0.7743 2.1135 2.1187 2.3994 2.4046 3.8479 3.8537 3.9764 3.9902 4.5925 4.6113 4.6622 4.6747 5.4713 5.4809 6.5802 6.5991 6.9858 7.0342 7.7060 7.7155 7.7224 7.7322 8.1817 8.2091 9.5139 9.5211 10.6962 10.7074 10.9813 10.9872 11.1669 11.2023 11.7581 11.7630 k = 0.0000 0.0000 0.3122 ( 3752 PWs) bands (ev): -9.8298 -9.8294 -8.5196 -8.5183 -6.1776 -6.1762 -6.0051 -6.0045 -5.0858 -5.0839 -5.0165 -5.0160 -4.5102 -4.5095 -1.3786 -1.3761 -0.7271 -0.7233 0.1023 0.1076 0.5858 0.5991 0.7174 0.7349 2.2263 2.2327 2.4908 2.4964 3.8989 3.9039 3.9829 3.9971 4.5875 4.5947 4.6161 4.6297 5.5497 5.5593 6.4654 6.4845 6.9798 7.0277 7.5998 7.6049 7.6085 7.6223 8.2042 8.2308 9.5336 9.5408 10.6937 10.7050 10.9755 10.9822 11.0989 11.1330 11.7440 11.7484 k = 0.0000 0.0000 0.3286 ( 3740 PWs) bands (ev): -9.7887 -9.7882 -8.5943 -8.5931 -6.1263 -6.1250 -5.9751 -5.9745 -5.0680 -5.0673 -5.0561 -5.0541 -4.5815 -4.5809 -1.3204 -1.3180 -0.7305 -0.7272 0.1001 0.1051 0.5466 0.5612 0.6760 0.6937 2.3416 2.3491 2.5878 2.5938 3.9505 3.9540 3.9849 4.0003 4.5080 4.5196 4.6291 4.6472 5.6290 5.6385 6.3541 6.3730 6.9714 7.0186 7.4848 7.4899 7.5081 7.5215 8.2253 8.2505 9.5629 9.5699 10.6893 10.7004 10.9748 10.9822 11.0274 11.0597 11.7298 11.7336 k = 0.0000 0.0000 0.3451 ( 3740 PWs) bands (ev): -9.7456 -9.7451 -8.6680 -8.6668 -6.0742 -6.0729 -5.9430 -5.9424 -5.1196 -5.1190 -5.0363 -5.0347 -4.6444 -4.6438 -1.2640 -1.2617 -0.7338 -0.7310 0.0983 0.1031 0.5088 0.5246 0.6339 0.6520 2.4587 2.4672 2.6889 2.6953 3.9817 3.9906 4.0032 4.0128 4.4241 4.4363 4.6436 4.6623 5.7091 5.7183 6.2472 6.2660 6.9601 7.0063 7.3786 7.3830 7.4062 7.4198 8.2447 8.2682 9.6011 9.6076 10.6835 10.6943 10.9524 10.9798 10.9832 10.9872 11.7160 11.7189 k = 0.0000 0.0000 0.3615 ( 3740 PWs) bands (ev): -9.7005 -9.7000 -8.7406 -8.7395 -6.0212 -6.0200 -5.9089 -5.9082 -5.1715 -5.1709 -5.0306 -5.0293 -4.6946 -4.6942 -1.2094 -1.2072 -0.7378 -0.7354 0.0970 0.1014 0.4736 0.4904 0.5923 0.6107 2.5770 2.5863 2.7930 2.7997 3.9722 3.9850 4.0573 4.0624 4.3362 4.3487 4.6548 4.6738 5.7898 5.7986 6.1462 6.1646 6.9452 6.9899 7.2823 7.2856 7.3049 7.3186 8.2624 8.2840 9.6474 9.6533 10.6769 10.6870 10.8755 10.9039 10.9891 10.9971 11.7027 11.7033 k = 0.0000 0.0000 0.3779 ( 3728 PWs) bands (ev): -9.6535 -9.6530 -8.8121 -8.8110 -5.9676 -5.9664 -5.8728 -5.8722 -5.2235 -5.2228 -5.0431 -5.0422 -4.7278 -4.7276 -1.1567 -1.1546 -0.7430 -0.7410 0.0960 0.1000 0.4416 0.4593 0.5520 0.5707 2.6959 2.7060 2.8987 2.9058 3.9554 3.9690 4.1128 4.1166 4.2446 4.2574 4.6614 4.6803 5.8711 5.8793 6.0525 6.0703 6.9256 6.9682 7.1970 7.1985 7.2068 7.2204 8.2784 8.2978 9.7012 9.7063 10.6699 10.6792 10.7963 10.8223 11.0037 11.0119 11.6607 11.6732 k = 0.0000 0.0000 0.3943 ( 3728 PWs) bands (ev): -9.6046 -9.6041 -8.8822 -8.8812 -5.9137 -5.9126 -5.8350 -5.8344 -5.2753 -5.2747 -5.0740 -5.0735 -4.7438 -4.7437 -1.1061 -1.1042 -0.7500 -0.7485 0.0953 0.0988 0.4136 0.4321 0.5137 0.5327 2.8150 2.8257 3.0048 3.0123 3.9306 3.9445 4.1497 4.1622 4.1704 4.1724 4.6622 4.6806 5.9530 5.9591 5.9691 5.9843 6.8990 6.9373 7.1171 7.1199 7.1234 7.1315 8.2925 8.3095 9.7616 9.7656 10.6630 10.6711 10.7152 10.7388 11.0233 11.0315 11.5937 11.6022 k = 0.0000 0.0000 0.4108 ( 3734 PWs) bands (ev): -9.5539 -9.5533 -8.9511 -8.9501 -5.8602 -5.8592 -5.7954 -5.7948 -5.3269 -5.3262 -5.1179 -5.1178 -4.7474 -4.7472 -1.0578 -1.0562 -0.7596 -0.7584 0.0948 0.0978 0.3905 0.4096 0.4781 0.4974 2.9339 2.9451 3.1103 3.1181 3.8970 3.9113 4.0518 4.0647 4.2283 4.2294 4.6559 4.6735 5.8931 5.9084 6.0356 6.0425 6.8600 6.8893 7.0451 7.0451 7.0620 7.0640 8.3048 8.3192 9.8278 9.8304 10.6327 10.6509 10.6566 10.6662 11.0477 11.0557 11.5278 11.5337 k = 0.0000 0.0000 0.4272 ( 3728 PWs) bands (ev): -9.5013 -9.5007 -9.0185 -9.0175 -5.8080 -5.8071 -5.7542 -5.7536 -5.3780 -5.3773 -5.1682 -5.1681 -4.7445 -4.7442 -1.0122 -1.0107 -0.7723 -0.7713 0.0945 0.0970 0.3728 0.3924 0.4459 0.4655 3.0520 3.0638 3.2140 3.2220 3.8541 3.8688 3.9514 3.9640 4.2870 4.2874 4.6418 4.6582 5.8306 5.8438 6.1190 6.1250 6.8018 6.8192 6.9880 6.9974 7.0124 7.0131 8.3152 8.3269 9.8992 9.9002 10.5491 10.5666 10.6510 10.6574 11.0769 11.0846 11.4644 11.4680 k = 0.0000 0.0000 0.4436 ( 3728 PWs) bands (ev): -9.4469 -9.4462 -9.0845 -9.0836 -5.7589 -5.7582 -5.7115 -5.7108 -5.4285 -5.4278 -5.2186 -5.2183 -4.7393 -4.7390 -0.9693 -0.9681 -0.7885 -0.7877 0.0943 0.0962 0.3609 0.3809 0.4177 0.4376 3.1691 3.1812 3.3144 3.3226 3.8009 3.8170 3.8495 3.8608 4.3445 4.3465 4.6194 4.6342 5.7813 5.7918 6.2034 6.2084 6.7260 6.7350 6.9521 6.9676 6.9732 6.9765 8.3237 8.3326 9.9741 9.9748 10.4649 10.4798 10.6465 10.6513 11.1109 11.1179 11.4040 11.4055 k = 0.0000 0.0000 0.4601 ( 3740 PWs) bands (ev): -9.3907 -9.3900 -9.1490 -9.1481 -5.7163 -5.7157 -5.6673 -5.6667 -5.4783 -5.4776 -5.2633 -5.2631 -4.7343 -4.7341 -0.9297 -0.9287 -0.8087 -0.8080 0.0944 0.0956 0.3552 0.3755 0.3941 0.4142 3.2845 3.2968 3.4099 3.4181 3.7312 3.7537 3.7563 3.7564 4.4007 4.4047 4.5888 4.6016 5.7461 5.7534 6.2889 6.2930 6.6407 6.6458 6.9312 6.9454 6.9483 6.9516 8.3302 8.3362 10.0513 10.0540 10.3805 10.3927 10.6434 10.6466 11.1494 11.1555 11.3464 11.3469 k = 0.0000 0.0000 0.4765 ( 3740 PWs) bands (ev): -9.3328 -9.3320 -9.2119 -9.2110 -5.6855 -5.6852 -5.6218 -5.6211 -5.5272 -5.5265 -5.2956 -5.2954 -4.7309 -4.7308 -0.8936 -0.8927 -0.8329 -0.8322 0.0945 0.0951 0.3559 0.3756 0.3762 0.3959 3.3970 3.4092 3.4954 3.5024 3.6364 3.6552 3.6780 3.6886 4.4545 4.4605 4.5507 4.5612 5.7256 5.7294 6.3757 6.3791 6.5523 6.5558 6.9210 6.9278 6.9368 6.9374 8.3347 8.3377 10.1312 10.1360 10.2964 10.3060 10.6418 10.6434 11.1924 11.1974 11.2910 11.2932 k = 0.0000 0.0000 0.4929 ( 3740 PWs) bands (ev): -9.2731 -9.2731 -9.2724 -9.2724 -5.6739 -5.6739 -5.5751 -5.5751 -5.5744 -5.5744 -5.3076 -5.3076 -4.7297 -4.7297 -0.8612 -0.8612 -0.8605 -0.8605 0.0948 0.0948 0.3627 0.3627 0.3831 0.3831 3.4994 3.4994 3.5091 3.5091 3.6086 3.6086 3.6233 3.6233 4.5011 4.5011 4.5175 4.5175 5.7200 5.7200 6.4636 6.4636 6.4667 6.4667 6.9199 6.9199 6.9328 6.9328 8.3372 8.3372 10.2131 10.2131 10.2203 10.2203 10.6418 10.6418 11.2396 11.2396 11.2434 11.2434 k = 0.0000 0.0000 0.4929 ( 3740 PWs) bands (ev): -9.2731 -9.2731 -9.2724 -9.2724 -5.6739 -5.6739 -5.5751 -5.5751 -5.5744 -5.5744 -5.3076 -5.3076 -4.7297 -4.7297 -0.8612 -0.8612 -0.8605 -0.8605 0.0948 0.0948 0.3627 0.3627 0.3831 0.3831 3.4994 3.4994 3.5091 3.5091 3.6086 3.6086 3.6233 3.6233 4.5011 4.5011 4.5175 4.5175 5.7200 5.7200 6.4636 6.4636 6.4667 6.4667 6.9199 6.9199 6.9328 6.9328 8.3372 8.3372 10.2131 10.2131 10.2203 10.2203 10.6418 10.6418 11.2396 11.2396 11.2434 11.2434 k = 0.0143 0.0082 0.4929 ( 3744 PWs) bands (ev): -9.2724 -9.2724 -9.2716 -9.2716 -5.6777 -5.6776 -5.5998 -5.5979 -5.5727 -5.5726 -5.2869 -5.2850 -4.7284 -4.7284 -0.8628 -0.8624 -0.8594 -0.8590 0.0951 0.0964 0.3653 0.3655 0.3858 0.3860 3.4936 3.4944 3.5029 3.5044 3.6120 3.6126 3.6263 3.6275 4.4990 4.4994 4.5178 4.5179 5.7222 5.7228 6.4610 6.4611 6.4651 6.4653 6.9224 6.9227 6.9356 6.9359 8.3345 8.3352 10.2125 10.2126 10.2197 10.2205 10.6406 10.6415 11.2385 11.2386 11.2426 11.2428 k = 0.0286 0.0165 0.4929 ( 3740 PWs) bands (ev): -9.2702 -9.2702 -9.2689 -9.2689 -5.6882 -5.6881 -5.6575 -5.6549 -5.5675 -5.5673 -5.2380 -5.2352 -4.7241 -4.7240 -0.8680 -0.8674 -0.8550 -0.8540 0.0973 0.0998 0.3722 0.3738 0.3941 0.3954 3.4768 3.4819 3.4865 3.4914 3.6191 3.6226 3.6350 3.6395 4.4928 4.4936 4.5189 4.5190 5.7294 5.7306 6.4536 6.4543 6.4598 6.4606 6.9291 6.9312 6.9434 6.9453 8.3269 8.3285 10.2093 10.2103 10.2201 10.2213 10.6380 10.6399 11.2351 11.2360 11.2402 11.2412 k = 0.0429 0.0247 0.4929 ( 3736 PWs) bands (ev): -9.2669 -9.2668 -9.2643 -9.2643 -5.7297 -5.7268 -5.7036 -5.7035 -5.5606 -5.5603 -5.1808 -5.1777 -4.7155 -4.7153 -0.8763 -0.8755 -0.8475 -0.8458 0.1010 0.1046 0.3823 0.3863 0.4090 0.4127 3.4512 3.4610 3.4655 3.4742 3.6262 3.6325 3.6499 3.6573 4.4825 4.4838 4.5209 4.5212 5.7416 5.7434 6.4425 6.4437 6.4516 6.4530 6.9392 6.9449 6.9555 6.9607 8.3146 8.3169 10.2025 10.2047 10.2224 10.2240 10.6341 10.6369 11.2297 11.2320 11.2361 11.2387 k = 0.0571 0.0330 0.4929 ( 3736 PWs) bands (ev): -9.2622 -9.2621 -9.2578 -9.2578 -5.8083 -5.8053 -5.7229 -5.7228 -5.5533 -5.5531 -5.1261 -5.1230 -4.7002 -4.6998 -0.8874 -0.8864 -0.8368 -0.8346 0.1060 0.1105 0.3954 0.4019 0.4319 0.4377 3.4189 3.4289 3.4464 3.4545 3.6318 3.6392 3.6703 3.6789 4.4683 4.4701 4.5240 4.5244 5.7586 5.7610 6.4278 6.4293 6.4417 6.4433 6.9523 6.9622 6.9719 6.9809 8.2976 8.3005 10.1926 10.1957 10.2263 10.2284 10.6289 10.6326 11.2228 11.2270 11.2306 11.2353 k = 0.0714 0.0412 0.4929 ( 3732 PWs) bands (ev): -9.2563 -9.2562 -9.2495 -9.2494 -5.8900 -5.8870 -5.7450 -5.7449 -5.5466 -5.5463 -5.0798 -5.0770 -4.6752 -4.6744 -0.9008 -0.8996 -0.8230 -0.8204 0.1116 0.1168 0.4118 0.4204 0.4626 0.4702 3.3810 3.3912 3.4258 3.4332 3.6354 3.6430 3.6939 3.7030 4.4507 4.4531 4.5279 4.5285 5.7802 5.7832 6.4097 6.4116 6.4312 6.4327 6.9681 6.9811 6.9926 7.0043 8.2759 8.2795 10.1795 10.1835 10.2316 10.2342 10.6225 10.6270 11.2148 11.2211 11.2241 11.2313 k = 0.0857 0.0495 0.4929 ( 3738 PWs) bands (ev): -9.2491 -9.2490 -9.2393 -9.2392 -5.9734 -5.9704 -5.7695 -5.7694 -5.5407 -5.5404 -5.0459 -5.0434 -4.6382 -4.6369 -0.9161 -0.9148 -0.8064 -0.8033 0.1176 0.1232 0.4320 0.4422 0.5006 0.5093 3.3382 3.3484 3.4040 3.4107 3.6365 3.6442 3.7198 3.7290 4.4302 4.4332 4.5328 4.5335 5.8060 5.8097 6.3888 6.3912 6.4208 6.4222 6.9859 7.0008 7.0166 7.0296 8.2497 8.2538 10.1633 10.1680 10.2382 10.2413 10.6149 10.6203 11.2063 11.2145 11.2173 11.2270 k = 0.1000 0.0577 0.4929 ( 3738 PWs) bands (ev): -9.2407 -9.2405 -9.2272 -9.2271 -6.0577 -6.0547 -5.7961 -5.7960 -5.5360 -5.5356 -5.0252 -5.0231 -4.5888 -4.5871 -0.9327 -0.9313 -0.7869 -0.7834 0.1236 0.1295 0.4560 0.4674 0.5452 0.5545 3.2909 3.3012 3.3810 3.3869 3.6351 3.6427 3.7473 3.7565 4.4074 4.4112 4.5384 4.5392 5.8357 5.8401 6.3659 6.3689 6.4109 6.4125 7.0053 7.0212 7.0423 7.0558 8.2190 8.2236 10.1438 10.1491 10.2460 10.2497 10.6063 10.6126 11.1975 11.2071 11.2108 11.2227 k = 0.1143 0.0660 0.4929 ( 3746 PWs) bands (ev): -9.2311 -9.2309 -9.2133 -9.2132 -6.1424 -6.1395 -5.8247 -5.8246 -5.5325 -5.5321 -5.0160 -5.0144 -4.5290 -4.5269 -0.9502 -0.9487 -0.7646 -0.7608 0.1294 0.1354 0.4839 0.4962 0.5955 0.6054 3.2393 3.2498 3.3568 3.3620 3.6310 3.6384 3.7763 3.7853 4.3833 4.3879 4.5446 4.5456 5.8683 5.8737 6.3418 6.3453 6.4019 6.4038 7.0258 7.0422 7.0682 7.0817 8.1842 8.1891 10.1211 10.1269 10.2548 10.2592 10.5971 10.6041 11.1890 11.1995 11.2049 11.2185 k = 0.1286 0.0742 0.4929 ( 3746 PWs) bands (ev): -9.2203 -9.2201 -9.1975 -9.1974 -6.2272 -6.2244 -5.8549 -5.8549 -5.5303 -5.5299 -5.0156 -5.0143 -4.4617 -4.4592 -0.9682 -0.9667 -0.7398 -0.7357 0.1351 0.1411 0.5155 0.5284 0.6511 0.6612 3.1840 3.1945 3.3315 3.3360 3.6242 3.6313 3.8065 3.8152 4.3587 4.3642 4.5515 4.5525 5.9029 5.9093 6.3176 6.3215 6.3940 6.3964 7.0470 7.0634 7.0934 7.1065 8.1456 8.1507 10.0952 10.1012 10.2647 10.2697 10.5874 10.5952 11.1810 11.1922 11.1997 11.2147 k = 0.1429 0.0825 0.4929 ( 3750 PWs) bands (ev): -9.2083 -9.2081 -9.1799 -9.1798 -6.3119 -6.3092 -5.8868 -5.8868 -5.5295 -5.5290 -5.0214 -5.0204 -4.3895 -4.3867 -0.9863 -0.9847 -0.7126 -0.7082 0.1407 0.1465 0.5505 0.5638 0.7113 0.7215 3.1250 3.1356 3.3050 3.3088 3.6143 3.6211 3.8378 3.8461 4.3347 4.3412 4.5588 4.5599 5.9377 5.9455 6.2946 6.2988 6.3874 6.3903 7.0686 7.0846 7.1170 7.1294 8.1036 8.1088 10.0662 10.0724 10.2753 10.2811 10.5777 10.5861 11.1736 11.1852 11.1951 11.2114 k = 0.1571 0.0907 0.4929 ( 3752 PWs) bands (ev): -9.1954 -9.1951 -9.1605 -9.1603 -6.3963 -6.3937 -5.9202 -5.9201 -5.5299 -5.5295 -5.0314 -5.0306 -4.3144 -4.3114 -1.0042 -1.0025 -0.6833 -0.6786 0.1463 0.1519 0.5886 0.6022 0.7754 0.7856 3.0629 3.0736 3.2773 3.2803 3.6013 3.6077 3.8697 3.8776 4.3123 4.3199 4.5665 4.5677 5.9702 5.9797 6.2751 6.2792 6.3821 6.3857 7.0902 7.1053 7.1387 7.1497 8.0588 8.0640 10.0343 10.0405 10.2865 10.2930 10.5683 10.5772 11.1669 11.1789 11.1912 11.2086 k = 0.1714 0.0990 0.4929 ( 3754 PWs) bands (ev): -9.1814 -9.1811 -9.1393 -9.1391 -6.4804 -6.4778 -5.9549 -5.9549 -5.5316 -5.5311 -5.0442 -5.0436 -4.2376 -4.2345 -1.0215 -1.0198 -0.6520 -0.6472 0.1521 0.1576 0.6296 0.6433 0.8428 0.8529 2.9980 3.0087 3.2484 3.2507 3.5848 3.5908 3.9021 3.9096 4.2927 4.3015 4.5745 4.5757 5.9964 6.0082 6.2624 6.2665 6.3782 6.3826 7.1113 7.1248 7.1580 7.1671 8.0119 8.0169 10.0000 10.0061 10.2981 10.3053 10.5597 10.5687 11.1610 11.1731 11.1879 11.2061 k = 0.1857 0.1072 0.4929 ( 3754 PWs) bands (ev): -9.1664 -9.1662 -9.1162 -9.1160 -6.5640 -6.5615 -5.9908 -5.9908 -5.5345 -5.5340 -5.0588 -5.0583 -4.1603 -4.1570 -1.0380 -1.0362 -0.6191 -0.6141 0.1585 0.1636 0.6731 0.6868 0.9129 0.9229 2.9309 2.9416 3.2182 3.2199 3.5645 3.5701 3.9345 3.9414 4.2772 4.2872 4.5826 4.5839 6.0114 6.0256 6.2608 6.2650 6.3758 6.3810 7.1312 7.1420 7.1756 7.1814 7.9640 7.9684 9.9636 9.9695 10.3098 10.3178 10.5520 10.5610 11.1557 11.1680 11.1850 11.2037 k = 0.2000 0.1155 0.4929 ( 3760 PWs) bands (ev): -9.1507 -9.1504 -9.0913 -9.0911 -6.6470 -6.6446 -6.0278 -6.0278 -5.5385 -5.5380 -5.0744 -5.0740 -4.0831 -4.0798 -1.0534 -1.0515 -0.5848 -0.5798 0.1656 0.1704 0.7187 0.7323 0.9848 0.9947 2.8619 2.8727 3.1869 3.1880 3.5404 3.5455 3.9662 3.9727 4.2668 4.2779 4.5907 4.5920 6.0121 6.0280 6.2732 6.2776 6.3747 6.3809 7.1485 7.1552 7.1921 7.1932 7.9161 7.9197 9.9256 9.9313 10.3216 10.3303 10.5453 10.5540 11.1510 11.1635 11.1820 11.2011 k = 0.2143 0.1237 0.4929 ( 3756 PWs) bands (ev): -9.1341 -9.1339 -9.0647 -9.0645 -6.7294 -6.7271 -6.0657 -6.0656 -5.5435 -5.5430 -5.0906 -5.0902 -4.0067 -4.0033 -1.0676 -1.0656 -0.5496 -0.5446 0.1737 0.1783 0.7662 0.7797 1.0580 1.0677 2.7919 2.8027 3.1545 3.1552 3.5122 3.5169 3.9965 4.0027 4.2625 4.2747 4.5987 4.6001 5.9997 6.0166 6.2974 6.3021 6.3753 6.3827 7.1609 7.1632 7.2037 7.2082 7.8696 7.8720 9.8866 9.8924 10.3333 10.3428 10.5394 10.5476 11.1466 11.1594 11.1787 11.1978 k = 0.2286 0.1320 0.4929 ( 3758 PWs) bands (ev): -9.1169 -9.1166 -9.0363 -9.0360 -6.8111 -6.8089 -6.1042 -6.1042 -5.5494 -5.5489 -5.1068 -5.1065 -3.9314 -3.9280 -1.0803 -1.0783 -0.5138 -0.5087 0.1831 0.1874 0.8152 0.8286 1.1315 1.1410 2.7217 2.7324 3.1209 3.1216 3.4801 3.4845 4.0246 4.0310 4.2652 4.2783 4.6064 4.6078 5.9781 5.9956 6.3267 6.3327 6.3786 6.3878 7.1650 7.1668 7.2144 7.2234 7.8262 7.8271 9.8473 9.8533 10.3451 10.3551 10.5340 10.5415 11.1426 11.1557 11.1744 11.1936 k = 0.2429 0.1402 0.4929 ( 3766 PWs) bands (ev): -9.0991 -9.0988 -9.0061 -9.0058 -6.8921 -6.8899 -6.1433 -6.1432 -5.5560 -5.5556 -5.1228 -5.1226 -3.8578 -3.8543 -1.0916 -1.0894 -0.4778 -0.4728 0.1941 0.1982 0.8654 0.8786 1.2044 1.2136 2.6520 2.6626 3.0863 3.0875 3.4442 3.4485 4.0502 4.0570 4.2753 4.2889 4.6137 4.6152 5.9510 5.9690 6.3517 6.3593 6.3901 6.4004 7.1618 7.1648 7.2245 7.2365 7.7866 7.7883 9.8081 9.8147 10.3570 10.3674 10.5283 10.5351 11.1387 11.1523 11.1690 11.1881 k = 0.2571 0.1485 0.4929 ( 3766 PWs) bands (ev): -9.0808 -9.0805 -8.9741 -8.9738 -6.9722 -6.9701 -6.1826 -6.1825 -5.5633 -5.5629 -5.1384 -5.1382 -3.7861 -3.7827 -1.1011 -1.0988 -0.4419 -0.4371 0.2070 0.2109 0.9165 0.9295 1.2755 1.2845 2.5841 2.5945 3.0511 3.0528 3.4049 3.4091 4.0731 4.0808 4.2925 4.3062 4.6205 4.6221 5.9208 5.9392 6.3646 6.3712 6.4175 6.4249 7.1536 7.1568 7.2315 7.2457 7.7534 7.7576 9.7699 9.7772 10.3692 10.3799 10.5216 10.5274 11.1347 11.1491 11.1621 11.1811 k = 0.2714 0.1567 0.4929 ( 3768 PWs) bands (ev): -9.0622 -9.0619 -8.9404 -8.9401 -7.0515 -7.0495 -6.2219 -6.2218 -5.5711 -5.5707 -5.1534 -5.1532 -3.7168 -3.7134 -1.1089 -1.1065 -0.4067 -0.4021 0.2220 0.2258 0.9682 0.9810 1.3434 1.3521 2.5194 2.5296 3.0153 3.0176 3.3626 3.3669 4.0940 4.1026 4.3159 4.3294 4.6267 4.6284 5.8890 5.9078 6.3699 6.3764 6.4496 6.4548 7.1409 7.1442 7.2333 7.2493 7.7297 7.7364 9.7332 9.7414 10.3819 10.3926 10.5128 10.5177 11.1305 11.1457 11.1540 11.1730 k = 0.2857 0.1650 0.4929 ( 3762 PWs) bands (ev): -9.0434 -9.0431 -8.9050 -8.9047 -7.1298 -7.1279 -6.2609 -6.2608 -5.5793 -5.5788 -5.1677 -5.1675 -3.6501 -3.6467 -1.1150 -1.1125 -0.3726 -0.3682 0.2393 0.2430 1.0200 1.0326 1.4064 1.4147 2.4597 2.4694 2.9794 2.9822 3.3177 3.3222 4.1137 4.1231 4.3439 4.3571 4.6322 4.6340 5.8566 5.8757 6.3725 6.3794 6.4793 6.4834 7.1243 7.1281 7.2290 7.2464 7.7173 7.7261 9.6986 9.7078 10.3950 10.4056 10.5010 10.5051 11.1258 11.1396 11.1475 11.1643 k = 0.3000 0.1732 0.4929 ( 3758 PWs) bands (ev): -9.0245 -9.0242 -8.8679 -8.8675 -7.2073 -7.2055 -6.2994 -6.2994 -5.5877 -5.5872 -5.1812 -5.1810 -3.5863 -3.5830 -1.1193 -1.1167 -0.3398 -0.3357 0.2591 0.2627 1.0715 1.0840 1.4623 1.4703 2.4071 2.4163 2.9435 2.9468 3.2709 3.2755 4.1330 4.1432 4.3751 4.3878 4.6369 4.6389 5.8242 5.8437 6.3737 6.3809 6.5044 6.5078 7.1046 7.1092 7.2193 7.2375 7.7167 7.7269 9.6666 9.6767 10.4083 10.4185 10.4856 10.4891 11.1202 11.1297 11.1445 11.1563 k = 0.3143 0.1815 0.4929 ( 3758 PWs) bands (ev): -9.0057 -9.0055 -8.8291 -8.8287 -7.2837 -7.2820 -6.3371 -6.3371 -5.5961 -5.5957 -5.1938 -5.1936 -3.5258 -3.5226 -1.1218 -1.1192 -0.3086 -0.3049 0.2814 0.2848 1.1222 1.1345 1.5088 1.5164 2.3643 2.3726 2.9079 2.9118 3.2226 3.2274 4.1526 4.1634 4.4081 4.4203 4.6406 4.6429 5.7924 5.8121 6.3732 6.3807 6.5237 6.5266 7.0820 7.0874 7.2064 7.2248 7.7267 7.7375 9.6376 9.6485 10.4200 10.4293 10.4675 10.4711 11.1134 11.1194 11.1428 11.1501 k = 0.3286 0.1897 0.4929 ( 3766 PWs) bands (ev): -8.9873 -8.9870 -8.7886 -8.7882 -7.3591 -7.3575 -6.3737 -6.3736 -5.6045 -5.6041 -5.2054 -5.2053 -3.4688 -3.4657 -1.1228 -1.1201 -0.2794 -0.2761 0.3059 0.3092 1.1713 1.1835 1.5434 1.5508 2.3337 2.3410 2.8731 2.8775 3.1733 3.1782 4.1729 4.1841 4.4416 4.4533 4.6434 4.6461 5.7616 5.7815 6.3709 6.3783 6.5370 6.5395 7.0562 7.0626 7.1937 7.2119 7.7453 7.7560 9.6119 9.6234 10.4196 10.4263 10.4561 10.4629 11.1051 11.1107 11.1419 11.1462 k = 0.3429 0.1979 0.4929 ( 3774 PWs) bands (ev): -8.9693 -8.9690 -8.7465 -8.7460 -7.4335 -7.4319 -6.4089 -6.4088 -5.6126 -5.6123 -5.2162 -5.2161 -3.4156 -3.4126 -1.1222 -1.1195 -0.2521 -0.2492 0.3325 0.3356 1.2178 1.2299 1.5649 1.5722 2.3172 2.3231 2.8395 2.8443 3.1235 3.1286 4.1940 4.2054 4.4748 4.4861 4.6453 4.6485 5.7323 5.7521 6.3660 6.3730 6.5445 6.5471 7.0264 7.0340 7.1845 7.2025 7.7700 7.7801 9.5897 9.6018 10.3962 10.4007 10.4641 10.4720 11.0972 11.1041 11.1416 11.1449 k = 0.3571 0.2062 0.4929 ( 3784 PWs) bands (ev): -8.9519 -8.9516 -8.7027 -8.7022 -7.5067 -7.5052 -6.4424 -6.4423 -5.6205 -5.6202 -5.2260 -5.2259 -3.3664 -3.3636 -1.1202 -1.1176 -0.2268 -0.2244 0.3607 0.3636 1.2602 1.2721 1.5741 1.5816 2.3148 2.3194 2.8077 2.8129 3.0738 3.0790 4.2158 4.2272 4.5065 4.5176 4.6464 4.6503 5.7048 5.7244 6.3582 6.3643 6.5478 6.5507 6.9927 7.0012 7.1811 7.1986 7.7983 7.8076 9.5713 9.5836 10.3626 10.3663 10.4779 10.4854 11.0910 11.0993 11.1422 11.1458 k = 0.3714 0.2144 0.4929 ( 3786 PWs) bands (ev): -8.9353 -8.9351 -8.6573 -8.6568 -7.5788 -7.5773 -6.4738 -6.4737 -5.6279 -5.6276 -5.2349 -5.2348 -3.3214 -3.3187 -1.1171 -1.1147 -0.2036 -0.2016 0.3898 0.3926 1.2961 1.3076 1.5747 1.5825 2.3246 2.3279 2.7781 2.7837 3.0248 3.0300 4.2382 4.2496 4.5359 4.5468 4.6470 4.6517 5.6792 5.6984 6.3471 6.3520 6.5488 6.5519 6.9556 6.9648 7.1837 7.2005 7.8283 7.8367 9.5567 9.5691 10.3246 10.3279 10.4926 10.4993 11.0871 11.0963 11.1441 11.1483 k = 0.3857 0.2227 0.4929 ( 3778 PWs) bands (ev): -8.9198 -8.9196 -8.6104 -8.6098 -7.6496 -7.6483 -6.5029 -6.5029 -5.6348 -5.6345 -5.2428 -5.2427 -3.2807 -3.2783 -1.1132 -1.1108 -0.1823 -0.1807 0.4193 0.4219 1.3220 1.3327 1.5733 1.5811 2.3428 2.3451 2.7516 2.7574 2.9771 2.9823 4.2610 4.2721 4.5618 4.5726 4.6479 4.6535 5.6559 5.6743 6.3330 6.3366 6.5493 6.5525 6.9162 6.9257 7.1915 7.2073 7.8584 7.8658 9.5459 9.5580 10.2845 10.2874 10.5068 10.5128 11.0856 11.0951 11.1476 11.1522 k = 0.4000 0.2309 0.4929 ( 3766 PWs) bands (ev): -8.9055 -8.9053 -8.5619 -8.5613 -7.7193 -7.7179 -6.5294 -6.5294 -5.6411 -5.6409 -5.2498 -5.2497 -3.2445 -3.2424 -1.1086 -1.1064 -0.1630 -0.1618 0.4483 0.4508 1.3344 1.3438 1.5769 1.5840 2.3655 2.3671 2.7287 2.7346 2.9314 2.9365 4.2839 4.2944 4.5824 4.5930 4.6506 4.6569 5.6350 5.6524 6.3166 6.3190 6.5507 6.5540 6.8758 6.8852 7.2031 7.2176 7.8872 7.8936 9.5388 9.5504 10.2438 10.2463 10.5201 10.5252 11.0860 11.0953 11.1525 11.1572 k = 0.4143 0.2392 0.4929 ( 3770 PWs) bands (ev): -8.8927 -8.8925 -8.5119 -8.5113 -7.7876 -7.7863 -6.5531 -6.5530 -5.6467 -5.6465 -5.2558 -5.2557 -3.2130 -3.2111 -1.1038 -1.1018 -0.1458 -0.1448 0.4760 0.4782 1.3326 1.3401 1.5889 1.5949 2.3889 2.3901 2.7100 2.7158 2.8888 2.8936 4.3062 4.3161 4.5961 4.6051 4.6578 4.6633 5.6166 5.6325 6.2987 6.3009 6.5539 6.5574 6.8354 6.8446 7.2167 7.2296 7.9136 7.9190 9.5351 9.5459 10.2041 10.2062 10.5319 10.5362 11.0879 11.0965 11.1585 11.1630 k = 0.4286 0.2474 0.4929 ( 3770 PWs) bands (ev): -8.8814 -8.8813 -8.4605 -8.4598 -7.8545 -7.8533 -6.5735 -6.5735 -5.6515 -5.6514 -5.2609 -5.2609 -3.1862 -3.1846 -1.0990 -1.0973 -0.1306 -0.1299 0.5015 0.5036 1.3202 1.3260 1.6075 1.6123 2.4104 2.4114 2.6959 2.7014 2.8502 2.8545 4.3275 4.3365 4.6025 4.6089 4.6693 4.6731 5.6008 5.6149 6.2810 6.2835 6.5593 6.5631 6.7960 6.8048 7.2310 7.2422 7.9369 7.9414 9.5344 9.5440 10.1669 10.1686 10.5421 10.5456 11.0907 11.0983 11.1652 11.1694 k = 0.4429 0.2557 0.4929 ( 3762 PWs) bands (ev): -8.8720 -8.8719 -8.4079 -8.4072 -7.9198 -7.9187 -6.5906 -6.5906 -5.6555 -5.6554 -5.2651 -5.2650 -3.1641 -3.1628 -1.0945 -1.0931 -0.1178 -0.1173 0.5241 0.5258 1.3027 1.3071 1.6284 1.6322 2.4281 2.4291 2.6861 2.6909 2.8170 2.8206 4.3472 4.3549 4.6036 4.6077 4.6820 4.6843 5.5878 5.5998 6.2651 6.2678 6.5673 6.5715 6.7584 6.7667 7.2448 7.2540 7.9565 7.9601 9.5359 9.5441 10.1337 10.1351 10.5506 10.5533 11.0940 11.1003 11.1720 11.1756 k = 0.4571 0.2639 0.4929 ( 3762 PWs) bands (ev): -8.8644 -8.8644 -8.3542 -8.3535 -7.9834 -7.9823 -6.6041 -6.6041 -5.6587 -5.6586 -5.2683 -5.2683 -3.1469 -3.1459 -1.0907 -1.0896 -0.1074 -0.1071 0.5428 0.5442 1.2850 1.2882 1.6481 1.6509 2.4414 2.4425 2.6794 2.6834 2.7907 2.7933 4.3642 4.3705 4.6019 4.6046 4.6933 4.6945 5.5778 5.5872 6.2521 6.2546 6.5781 6.5828 6.7235 6.7313 7.2569 7.2639 7.9721 7.9748 9.5388 9.5453 10.1059 10.1069 10.5572 10.5592 11.0973 11.1021 11.1783 11.1812 k = 0.4714 0.2722 0.4929 ( 3752 PWs) bands (ev): -8.8590 -8.8589 -8.3003 -8.2995 -8.0444 -8.0434 -6.6139 -6.6139 -5.6610 -5.6609 -5.2706 -5.2706 -3.1346 -3.1339 -1.0877 -1.0870 -0.0998 -0.0995 0.5569 0.5579 1.2703 1.2725 1.6639 1.6659 2.4506 2.4515 2.6749 2.6777 2.7722 2.7739 4.3779 4.3823 4.5994 4.6011 4.7019 4.7025 5.5710 5.5774 6.2427 6.2446 6.5918 6.5967 6.6921 6.6992 7.2665 7.2713 7.9834 7.9852 9.5423 9.5468 10.0848 10.0856 10.5619 10.5633 11.1002 11.1035 11.1834 11.1855 k = 0.4857 0.2804 0.4929 ( 3756 PWs) bands (ev): -8.8556 -8.8556 -8.2489 -8.2482 -8.0999 -8.0991 -6.6198 -6.6198 -5.6624 -5.6623 -5.2720 -5.2720 -3.1271 -3.1267 -1.0857 -1.0854 -0.0951 -0.0950 0.5658 0.5663 1.2610 1.2621 1.6743 1.6753 2.4560 2.4566 2.6720 2.6735 2.7618 2.7626 4.3870 4.3894 4.5975 4.5983 4.7072 4.7075 5.5674 5.5707 6.2371 6.2382 6.6076 6.6123 6.6661 6.6718 7.2730 7.2754 7.9904 7.9913 9.5454 9.5477 10.0717 10.0721 10.5649 10.5656 11.1024 11.1040 11.1870 11.1881 k = 0.5000 0.2887 0.4929 ( 3756 PWs) bands (ev): -8.8545 -8.8545 -8.2189 -8.2189 -8.1306 -8.1306 -6.6218 -6.6218 -5.6628 -5.6628 -5.2725 -5.2725 -3.1245 -3.1245 -1.0850 -1.0850 -0.0935 -0.0935 0.5690 0.5690 1.2581 1.2581 1.6782 1.6782 2.4580 2.4580 2.6714 2.6714 2.7587 2.7587 4.3910 4.3910 4.5971 4.5971 4.7091 4.7091 5.5674 5.5674 6.2357 6.2357 6.6200 6.6200 6.6551 6.6551 7.2761 7.2761 7.9931 7.9931 9.5473 9.5473 10.0674 10.0674 10.5661 10.5661 11.1037 11.1037 11.1886 11.1886 k = 0.5000 0.2887 0.4929 ( 3756 PWs) bands (ev): -8.8545 -8.8545 -8.2189 -8.2189 -8.1306 -8.1306 -6.6218 -6.6218 -5.6628 -5.6628 -5.2725 -5.2725 -3.1245 -3.1245 -1.0850 -1.0850 -0.0935 -0.0935 0.5690 0.5690 1.2581 1.2581 1.6782 1.6782 2.4580 2.4580 2.6714 2.6714 2.7587 2.7587 4.3910 4.3910 4.5971 4.5971 4.7091 4.7091 5.5674 5.5674 6.2357 6.2357 6.6200 6.6200 6.6551 6.6551 7.2761 7.2761 7.9931 7.9931 9.5473 9.5473 10.0674 10.0674 10.5661 10.5661 11.1037 11.1037 11.1886 11.1886 k = 0.4921 0.3024 0.4929 ( 3760 PWs) bands (ev): -8.8537 -8.8536 -8.2192 -8.2192 -8.1305 -8.1305 -6.6222 -6.6222 -5.6632 -5.6632 -5.2754 -5.2754 -3.1193 -3.1193 -1.0857 -1.0855 -0.0954 -0.0949 0.5690 0.5703 1.2564 1.2576 1.6742 1.6758 2.4593 2.4602 2.6737 2.6742 2.7595 2.7613 4.3876 4.3895 4.5955 4.5956 4.7101 4.7116 5.5686 5.5699 6.2353 6.2363 6.6169 6.6180 6.6555 6.6560 7.2790 7.2794 7.9913 7.9921 9.5472 9.5473 10.0674 10.0676 10.5534 10.5540 11.1141 11.1153 11.1858 11.1859 k = 0.4841 0.3162 0.4929 ( 3764 PWs) bands (ev): -8.8511 -8.8511 -8.2202 -8.2201 -8.1304 -8.1304 -6.6233 -6.6233 -5.6643 -5.6643 -5.2841 -5.2840 -3.1040 -3.1039 -1.0877 -1.0874 -0.1006 -0.0996 0.5703 0.5729 1.2526 1.2548 1.6641 1.6672 2.4640 2.4657 2.6811 2.6821 2.7637 2.7671 4.3795 4.3831 4.5908 4.5911 4.7144 4.7173 5.5737 5.5763 6.2352 6.2372 6.6090 6.6112 6.6572 6.6581 7.2880 7.2888 7.9869 7.9883 9.5473 9.5474 10.0677 10.0680 10.5189 10.5201 11.1425 11.1441 11.1788 11.1797 k = 0.4762 0.3299 0.4929 ( 3766 PWs) bands (ev): -8.8469 -8.8468 -8.2218 -8.2217 -8.1301 -8.1301 -6.6252 -6.6252 -5.6661 -5.6660 -5.2982 -5.2981 -3.0789 -3.0787 -1.0913 -1.0908 -0.1086 -0.1072 0.5729 0.5767 1.2466 1.2499 1.6483 1.6527 2.4717 2.4743 2.6935 2.6949 2.7710 2.7760 4.3676 4.3726 4.5832 4.5836 4.7215 4.7255 5.5826 5.5864 6.2353 6.2383 6.5968 6.6000 6.6602 6.6613 7.3025 7.3037 7.9797 7.9818 9.5475 9.5477 10.0680 10.0685 10.4693 10.4707 11.1551 11.1560 11.1947 11.1992 k = 0.4683 0.3437 0.4929 ( 3770 PWs) bands (ev): -8.8410 -8.8409 -8.2240 -8.2239 -8.1298 -8.1298 -6.6279 -6.6278 -5.6686 -5.6685 -5.3170 -5.3169 -3.0445 -3.0443 -1.0968 -1.0962 -0.1189 -0.1172 0.5767 0.5815 1.2385 1.2430 1.6273 1.6330 2.4822 2.4857 2.7105 2.7123 2.7814 2.7879 4.3525 4.3586 4.5727 4.5731 4.7307 4.7353 5.5953 5.6002 6.2357 6.2394 6.5810 6.5850 6.6644 6.6657 7.3217 7.3232 7.9699 7.9727 9.5478 9.5480 10.0682 10.0688 10.4106 10.4122 11.1383 11.1392 11.2439 11.2492 k = 0.4603 0.3574 0.4929 ( 3770 PWs) bands (ev): -8.8335 -8.8333 -8.2268 -8.2267 -8.1295 -8.1295 -6.6313 -6.6312 -5.6716 -5.6715 -5.3399 -5.3397 -3.0017 -3.0014 -1.1046 -1.1039 -0.1305 -0.1286 0.5816 0.5872 1.2286 1.2340 1.6018 1.6086 2.4951 2.4994 2.7317 2.7340 2.7944 2.8022 4.3353 4.3421 4.5594 4.5598 4.7410 4.7461 5.6115 5.6174 6.2362 6.2407 6.5624 6.5671 6.6698 6.6710 7.3447 7.3465 7.9575 7.9610 9.5483 9.5486 10.0677 10.0685 10.3472 10.3489 11.1162 11.1169 11.2983 11.3044 k = 0.4524 0.3712 0.4929 ( 3782 PWs) bands (ev): -8.8244 -8.8242 -8.2302 -8.2301 -8.1294 -8.1293 -6.6355 -6.6355 -5.6751 -5.6749 -5.3659 -5.3658 -2.9512 -2.9508 -1.1155 -1.1146 -0.1427 -0.1407 0.5874 0.5937 1.2167 1.2232 1.5726 1.5803 2.5098 2.5150 2.7567 2.7593 2.8098 2.8188 4.3166 4.3240 4.5436 4.5438 4.7518 4.7570 5.6313 5.6380 6.2368 6.2418 6.5418 6.5470 6.6762 6.6773 7.3706 7.3725 7.9427 7.9468 9.5491 9.5494 10.0661 10.0671 10.2822 10.2840 11.0914 11.0921 11.3535 11.3605 k = 0.4444 0.3849 0.4929 ( 3778 PWs) bands (ev): -8.8137 -8.8135 -8.2342 -8.2340 -8.1293 -8.1292 -6.6406 -6.6405 -5.6789 -5.6787 -5.3943 -5.3941 -2.8939 -2.8935 -1.1299 -1.1289 -0.1546 -0.1525 0.5941 0.6010 1.2032 1.2105 1.5405 1.5489 2.5262 2.5322 2.7850 2.7878 2.8271 2.8371 4.2972 4.3049 4.5253 4.5253 4.7623 4.7675 5.6543 5.6617 6.2374 6.2429 6.5198 6.5255 6.6833 6.6842 7.3984 7.4004 7.9256 7.9304 9.5503 9.5505 10.0630 10.0642 10.2176 10.2196 11.0658 11.0663 11.4074 11.4153 k = 0.4365 0.3986 0.4929 ( 3778 PWs) bands (ev): -8.8015 -8.8013 -8.2386 -8.2385 -8.1296 -8.1295 -6.6464 -6.6463 -5.6830 -5.6828 -5.4241 -5.4239 -2.8307 -2.8303 -1.1484 -1.1474 -0.1652 -0.1632 0.6017 0.6089 1.1882 1.1963 1.5061 1.5152 2.5438 2.5504 2.8159 2.8189 2.8460 2.8568 4.2778 4.2856 4.5046 4.5049 4.7721 4.7771 5.6805 5.6883 6.2379 6.2437 6.4970 6.5031 6.6911 6.6916 7.4273 7.4294 7.9065 7.9118 9.5520 9.5522 10.0578 10.0592 10.1550 10.1571 11.0405 11.0409 11.4585 11.4673 k = 0.4286 0.4124 0.4929 ( 3778 PWs) bands (ev): -8.7880 -8.7878 -8.2435 -8.2433 -8.1303 -8.1302 -6.6530 -6.6529 -5.6872 -5.6870 -5.4546 -5.4544 -2.7625 -2.7621 -1.1717 -1.1706 -0.1739 -0.1721 0.6103 0.6177 1.1716 1.1804 1.4702 1.4798 2.5624 2.5696 2.8486 2.8516 2.8661 2.8774 4.2588 4.2665 4.4819 4.4826 4.7808 4.7855 5.7094 5.7177 6.2381 6.2441 6.4738 6.4803 6.6992 6.6993 7.4567 7.4588 7.8857 7.8915 9.5545 9.5546 10.0498 10.0513 10.0954 10.0980 11.0170 11.0172 11.5058 11.5156 k = 0.4206 0.4261 0.4929 ( 3776 PWs) bands (ev): -8.7732 -8.7729 -8.2487 -8.2485 -8.1316 -8.1314 -6.6603 -6.6602 -5.6914 -5.6911 -5.4850 -5.4847 -2.6901 -2.6896 -1.2000 -1.1989 -0.1802 -0.1786 0.6199 0.6273 1.1537 1.1631 1.4336 1.4434 2.5816 2.5893 2.8822 2.8841 2.8882 2.8986 4.2408 4.2483 4.4576 4.4587 4.7881 4.7923 5.7409 5.7494 6.2379 6.2440 6.4506 6.4574 6.7069 6.7073 7.4858 7.4879 7.8635 7.8696 9.5579 9.5580 10.0368 10.0376 10.0409 10.0462 10.9962 10.9963 11.5486 11.5592 k = 0.4127 0.4399 0.4929 ( 3776 PWs) bands (ev): -8.7573 -8.7570 -8.2540 -8.2538 -8.1336 -8.1334 -6.6682 -6.6681 -5.6954 -5.6951 -5.5146 -5.5144 -2.6143 -2.6138 -1.2337 -1.2326 -0.1839 -0.1824 0.6306 0.6381 1.1344 1.1442 1.3969 1.4068 2.6014 2.6093 2.9070 2.9151 2.9204 2.9210 4.2241 4.2315 4.4321 4.4336 4.7938 4.7976 5.7746 5.7832 6.2371 6.2432 6.4277 6.4347 6.7143 6.7152 7.5141 7.5163 7.8403 7.8467 9.5626 9.5626 9.9882 9.9903 10.0244 10.0275 10.9788 10.9789 11.5861 11.5977 k = 0.4048 0.4536 0.4929 ( 3780 PWs) bands (ev): -8.7406 -8.7402 -8.2594 -8.2592 -8.1365 -8.1363 -6.6766 -6.6766 -5.6990 -5.6987 -5.5430 -5.5427 -2.5358 -2.5353 -1.2727 -1.2717 -0.1849 -0.1837 0.6428 0.6501 1.1137 1.1238 1.3610 1.3707 2.6213 2.6293 2.9280 2.9392 2.9511 2.9538 4.2092 4.2164 4.4056 4.4077 4.7979 4.8012 5.8102 5.8187 6.2354 6.2415 6.4053 6.4124 6.7213 6.7226 7.5412 7.5433 7.8167 7.8233 9.5687 9.5688 9.9416 9.9442 10.0063 10.0095 10.9654 10.9656 11.6180 11.6304 k = 0.3968 0.4674 0.4929 ( 3780 PWs) bands (ev): -8.7232 -8.7228 -8.2645 -8.2642 -8.1405 -8.1403 -6.6853 -6.6853 -5.7022 -5.7019 -5.5695 -5.5693 -2.4553 -2.4548 -1.3169 -1.3160 -0.1836 -0.1826 0.6566 0.6637 1.0916 1.1017 1.3265 1.3359 2.6412 2.6492 2.9484 2.9596 2.9829 2.9858 4.1966 4.2035 4.3788 4.3814 4.8004 4.8032 5.8473 5.8556 6.2326 6.2386 6.3834 6.3906 6.7276 6.7293 7.5666 7.5688 7.7933 7.7999 9.5767 9.5770 9.8999 9.9030 9.9848 9.9882 10.9562 10.9565 11.6438 11.6572 k = 0.3889 0.4811 0.4929 ( 3780 PWs) bands (ev): -8.7055 -8.7051 -8.2689 -8.2687 -8.1457 -8.1455 -6.6942 -6.6941 -5.7048 -5.7044 -5.5940 -5.5937 -2.3736 -2.3730 -1.3660 -1.3652 -0.1803 -0.1795 0.6724 0.6791 1.0678 1.0777 1.2944 1.3031 2.6609 2.6686 2.9681 2.9788 3.0124 3.0152 4.1867 4.1932 4.3520 4.3551 4.8014 4.8038 5.8856 5.8936 6.2282 6.2342 6.3622 6.3693 6.7332 6.7351 7.5900 7.5922 7.7707 7.7772 9.5870 9.5874 9.8631 9.8666 9.9602 9.9638 10.9511 10.9514 11.6630 11.6777 k = 0.3810 0.4949 0.4929 ( 3780 PWs) bands (ev): -8.6880 -8.6876 -8.2723 -8.2721 -8.1525 -8.1522 -6.7028 -6.7027 -5.7066 -5.7062 -5.6161 -5.6158 -2.2911 -2.2905 -1.4197 -1.4190 -0.1757 -0.1750 0.6903 0.6967 1.0423 1.0516 1.2654 1.2732 2.6798 2.6871 2.9869 2.9967 3.0384 3.0411 4.1796 4.1858 4.3258 4.3294 4.8012 4.8031 5.9246 5.9323 6.2220 6.2280 6.3417 6.3488 6.7380 6.7400 7.6111 7.6133 7.7496 7.7557 9.5999 9.6005 9.8310 9.8349 9.9330 9.9368 10.9495 10.9498 11.6734 11.6891 k = 0.3730 0.5086 0.4929 ( 3796 PWs) bands (ev): -8.6713 -8.6709 -8.2741 -8.2740 -8.1608 -8.1606 -6.7110 -6.7109 -5.7075 -5.7072 -5.6357 -5.6354 -2.2085 -2.2079 -1.4775 -1.4770 -0.1703 -0.1698 0.7106 0.7166 1.0148 1.0233 1.2402 1.2468 2.6977 2.7043 3.0045 3.0131 3.0601 3.0626 4.1758 4.1818 4.3006 4.3047 4.8000 4.8015 5.9640 5.9711 6.2136 6.2196 6.3222 6.3290 6.7420 6.7439 7.6296 7.6318 7.7305 7.7361 9.6157 9.6165 9.8035 9.8078 9.9038 9.9078 10.9507 10.9509 11.6743 11.6880 k = 0.3651 0.5224 0.4929 ( 3796 PWs) bands (ev): -8.6560 -8.6557 -8.2735 -8.2734 -8.1711 -8.1708 -6.7184 -6.7184 -5.7074 -5.7071 -5.6527 -5.6524 -2.1264 -2.1258 -1.5390 -1.5387 -0.1648 -0.1645 0.7335 0.7392 0.9855 0.9930 1.2194 1.2245 2.7141 2.7198 3.0210 3.0282 3.0766 3.0788 4.1754 4.1811 4.2769 4.2814 4.7983 4.7994 6.0032 6.0095 6.2028 6.2089 6.3036 6.3100 6.7453 6.7469 7.6454 7.6476 7.7140 7.7190 9.6347 9.6357 9.7801 9.7850 9.8735 9.8776 10.9539 10.9540 11.6725 11.6859 k = 0.3571 0.5361 0.4929 ( 3792 PWs) bands (ev): -8.6430 -8.6427 -8.2698 -8.2698 -8.1832 -8.1830 -6.7247 -6.7246 -5.7062 -5.7059 -5.6671 -5.6667 -2.0454 -2.0448 -1.6037 -1.6036 -0.1597 -0.1596 0.7592 0.7645 0.9544 0.9608 1.2032 1.2069 2.7284 2.7329 3.0364 3.0419 3.0871 3.0890 4.1784 4.1838 4.2551 4.2602 4.7963 4.7971 6.0415 6.0469 6.1896 6.1959 6.2864 6.2923 6.7479 6.7492 7.6582 7.6606 7.7005 7.7048 9.6567 9.6582 9.7609 9.7664 9.8427 9.8469 10.9581 10.9581 11.6714 11.6851 k = 0.3492 0.5499 0.4929 ( 3788 PWs) bands (ev): -8.6330 -8.6328 -8.2622 -8.2621 -8.1975 -8.1972 -6.7295 -6.7295 -5.7038 -5.7034 -5.6788 -5.6784 -1.9659 -1.9654 -1.6714 -1.6713 -0.1557 -0.1556 0.7876 0.7926 0.9218 0.9271 1.1917 1.1940 2.7399 2.7430 3.0510 3.0544 3.0911 3.0926 4.1846 4.1896 4.2357 4.2413 4.7946 4.7951 6.0779 6.0820 6.1742 6.1807 6.2714 6.2762 6.7498 6.7507 7.6680 7.6706 7.6904 7.6938 9.6813 9.6836 9.7459 9.7524 9.8121 9.8164 10.9622 10.9622 11.6718 11.6862 k = 0.3413 0.5636 0.4929 ( 3784 PWs) bands (ev): -8.6267 -8.6266 -8.2500 -8.2498 -8.2140 -8.2137 -6.7326 -6.7326 -5.7001 -5.6997 -5.6881 -5.6877 -1.8886 -1.8881 -1.7416 -1.7413 -0.1531 -0.1531 0.8186 0.8235 0.8884 0.8926 1.1850 1.1860 2.7477 2.7493 3.0651 3.0663 3.0884 3.0894 4.1937 4.1980 4.2190 4.2255 4.7934 4.7937 6.1100 6.1123 6.1574 6.1646 6.2602 6.2632 6.7511 6.7515 7.6743 7.6775 7.6841 7.6862 9.7057 9.7092 9.7375 9.7455 9.7824 9.7866 10.9653 10.9654 11.6738 11.6893 k = 0.3333 0.5774 0.4929 ( 3792 PWs) bands (ev): -8.6246 -8.6246 -8.2332 -8.2326 -8.2324 -8.2324 -6.7337 -6.7337 -5.6950 -5.6950 -5.6950 -5.6942 -1.8140 -1.8139 -1.8139 -1.8129 -0.1522 -0.1522 0.8460 0.8542 0.8604 0.8604 1.1830 1.1830 2.7510 2.7510 3.0767 3.0786 3.0802 3.0802 4.2047 4.2047 4.2053 4.2164 4.7931 4.7931 6.1279 6.1279 6.1459 6.1546 6.2565 6.2565 6.7516 6.7516 7.6761 7.6808 7.6825 7.6825 9.7172 9.7172 9.7503 9.7574 9.7574 9.7591 10.9665 10.9665 11.6755 11.6923 k = 0.3333 0.5774 0.4929 ( 3792 PWs) bands (ev): -8.6246 -8.6246 -8.2332 -8.2326 -8.2324 -8.2324 -6.7337 -6.7337 -5.6950 -5.6950 -5.6950 -5.6942 -1.8140 -1.8139 -1.8139 -1.8129 -0.1522 -0.1522 0.8460 0.8542 0.8604 0.8604 1.1830 1.1830 2.7510 2.7510 3.0767 3.0786 3.0802 3.0802 4.2047 4.2047 4.2053 4.2164 4.7931 4.7931 6.1279 6.1279 6.1459 6.1546 6.2565 6.2565 6.7516 6.7516 7.6761 7.6808 7.6825 7.6825 9.7172 9.7172 9.7503 9.7574 9.7574 9.7591 10.9665 10.9665 11.6755 11.6923 k = 0.3252 0.5633 0.4929 ( 3780 PWs) bands (ev): -8.6268 -8.6267 -8.2543 -8.2540 -8.2098 -8.2094 -6.7325 -6.7325 -5.6998 -5.6994 -5.6884 -5.6879 -1.8900 -1.8892 -1.7407 -1.7401 -0.1532 -0.1532 0.8168 0.8210 0.8912 0.8943 1.1852 1.1861 2.7474 2.7490 3.0615 3.0621 3.0913 3.0946 4.1938 4.1984 4.2185 4.2252 4.7935 4.7937 6.1137 6.1170 6.1503 6.1600 6.2618 6.2654 6.7511 6.7514 7.6759 7.6802 7.6829 7.6829 9.7136 9.7165 9.7265 9.7312 9.7892 9.7906 10.9650 10.9651 11.6724 11.6874 k = 0.3171 0.5492 0.4929 ( 3788 PWs) bands (ev): -8.6331 -8.6330 -8.2782 -8.2779 -8.1817 -8.1811 -6.7288 -6.7287 -5.7025 -5.7021 -5.6801 -5.6797 -1.9676 -1.9666 -1.6711 -1.6706 -0.1563 -0.1562 0.7814 0.7850 0.9301 0.9333 1.1926 1.1942 2.7377 2.7408 3.0381 3.0384 3.1053 3.1109 4.1857 4.1911 4.2329 4.2389 4.7947 4.7952 6.0947 6.0985 6.1470 6.1585 6.2813 6.2864 6.7498 6.7503 7.6754 7.6803 7.6823 7.6833 9.7010 9.7059 9.7126 9.7164 9.8292 9.8296 10.9600 10.9603 11.6652 11.6786 k = 0.3089 0.5351 0.4929 ( 3788 PWs) bands (ev): -8.6431 -8.6429 -8.3043 -8.3039 -8.1488 -8.1481 -6.7223 -6.7223 -5.7032 -5.7028 -5.6703 -5.6699 -2.0466 -2.0454 -1.6056 -1.6052 -0.1614 -0.1613 0.7461 0.7494 0.9709 0.9739 1.2054 1.2075 2.7220 2.7261 3.0087 3.0087 3.1210 3.1285 4.1803 4.1862 4.2477 4.2532 4.7965 4.7972 6.0767 6.0806 6.1370 6.1492 6.3088 6.3140 6.7478 6.7482 7.6714 7.6752 7.6862 7.6864 9.6793 9.6842 9.7140 9.7183 9.8724 9.8726 10.9511 10.9517 11.6566 11.6692 k = 0.3008 0.5210 0.4929 ( 3796 PWs) bands (ev): -8.6561 -8.6559 -8.3324 -8.3321 -8.1116 -8.1109 -6.7132 -6.7131 -5.7022 -5.7017 -5.6590 -5.6585 -2.1268 -2.1254 -1.5445 -1.5442 -0.1687 -0.1684 0.7113 0.7145 1.0127 1.0157 1.2234 1.2260 2.7002 2.7052 2.9740 2.9742 3.1385 3.1475 4.1774 4.1838 4.2621 4.2674 4.7982 4.7992 6.0615 6.0651 6.1240 6.1366 6.3392 6.3438 6.7451 6.7453 7.6634 7.6669 7.6920 7.6922 9.6604 9.6653 9.7192 9.7240 9.9181 9.9188 10.9382 10.9393 11.6478 11.6598 k = 0.2927 0.5069 0.4929 ( 3796 PWs) bands (ev): -8.6718 -8.6715 -8.3625 -8.3622 -8.0707 -8.0699 -6.7012 -6.7012 -5.6996 -5.6991 -5.6460 -5.6456 -2.2080 -2.2064 -1.4882 -1.4878 -0.1778 -0.1774 0.6771 0.6802 1.0547 1.0577 1.2465 1.2495 2.6730 2.6785 2.9352 2.9354 3.1578 3.1680 4.1767 4.1835 4.2759 4.2808 4.7991 4.8003 6.0503 6.0536 6.1102 6.1229 6.3700 6.3738 6.7416 6.7419 7.6521 7.6556 7.6990 7.6993 9.6448 9.6499 9.7284 9.7334 9.9662 9.9675 10.9215 10.9230 11.6393 11.6507 k = 0.2846 0.4929 0.4929 ( 3796 PWs) bands (ev): -8.6895 -8.6892 -8.3943 -8.3940 -8.0264 -8.0255 -6.6866 -6.6866 -5.6956 -5.6951 -5.6315 -5.6311 -2.2900 -2.2882 -1.4366 -1.4363 -0.1888 -0.1882 0.6437 0.6469 1.0963 1.0993 1.2746 1.2778 2.6408 2.6466 2.8935 2.8936 3.1787 3.1898 4.1775 4.1848 4.2886 4.2930 4.7982 4.7998 6.0441 6.0470 6.0965 6.1094 6.4001 6.4031 6.7374 6.7385 7.6378 7.6414 7.7064 7.7071 9.6327 9.6379 9.7417 9.7470 10.0164 10.0182 10.9011 10.9032 11.6314 11.6423 k = 0.2764 0.4788 0.4929 ( 3796 PWs) bands (ev): -8.7089 -8.7086 -8.4276 -8.4273 -7.9791 -7.9782 -6.6694 -6.6693 -5.6904 -5.6898 -5.6154 -5.6150 -2.3727 -2.3708 -1.3899 -1.3897 -0.2014 -0.2005 0.6111 0.6145 1.1364 1.1396 1.3071 1.3104 2.6047 2.6105 2.8500 2.8500 3.2011 3.2128 4.1794 4.1872 4.2999 4.3039 4.7950 4.7968 6.0434 6.0459 6.0838 6.0968 6.4290 6.4312 6.7331 6.7351 7.6205 7.6243 7.7138 7.7147 9.6243 9.6296 9.7591 9.7646 10.0682 10.0707 10.8775 10.8802 11.6244 11.6348 k = 0.2683 0.4647 0.4929 ( 3792 PWs) bands (ev): -8.7297 -8.7293 -8.4622 -8.4619 -7.9291 -7.9280 -6.6496 -6.6495 -5.6841 -5.6835 -5.5979 -5.5975 -2.4560 -2.4539 -1.3480 -1.3479 -0.2155 -0.2144 0.5796 0.5831 1.1739 1.1774 1.3434 1.3469 2.5654 2.5712 2.8059 2.8062 3.2245 3.2366 4.1820 4.1904 4.3098 4.3132 4.7887 4.7908 6.0476 6.0503 6.0736 6.0857 6.4562 6.4576 6.7292 6.7324 7.6006 7.6045 7.7204 7.7218 9.6195 9.6250 9.7807 9.7865 10.1216 10.1247 10.8513 10.8546 11.6184 11.6283 k = 0.2602 0.4506 0.4929 ( 3786 PWs) bands (ev): -8.7516 -8.7512 -8.4978 -8.4974 -7.8765 -7.8754 -6.6274 -6.6274 -5.6769 -5.6763 -5.5789 -5.5785 -2.5398 -2.5375 -1.3108 -1.3108 -0.2309 -0.2296 0.5490 0.5527 1.2078 1.2116 1.3827 1.3862 2.5243 2.5300 2.7629 2.7635 3.2489 3.2612 4.1848 4.1937 4.3179 4.3207 4.7791 4.7814 6.0511 6.0583 6.0712 6.0782 6.4816 6.4821 6.7264 6.7311 7.5781 7.5823 7.7260 7.7279 9.6183 9.6241 9.8064 9.8124 10.1760 10.1799 10.8229 10.8269 11.6138 11.6232 k = 0.2520 0.4365 0.4929 ( 3774 PWs) bands (ev): -8.7743 -8.7739 -8.5341 -8.5338 -7.8216 -7.8204 -6.6030 -6.6030 -5.6690 -5.6684 -5.5585 -5.5581 -2.6240 -2.6215 -1.2781 -1.2780 -0.2476 -0.2459 0.5196 0.5235 1.2367 1.2410 1.4237 1.4271 2.4827 2.4883 2.7226 2.7237 3.2739 3.2864 4.1875 4.1970 4.3240 4.3262 4.7663 4.7689 6.0469 6.0605 6.0832 6.0836 6.5044 6.5046 6.7257 6.7319 7.5535 7.5579 7.7301 7.7326 9.6206 9.6267 9.8358 9.8422 10.2313 10.2360 10.7931 10.7977 11.6106 11.6194 k = 0.2439 0.4225 0.4929 ( 3768 PWs) bands (ev): -8.7977 -8.7973 -8.5711 -8.5708 -7.7645 -7.7633 -6.5766 -6.5765 -5.6605 -5.6599 -5.5367 -5.5364 -2.7085 -2.7059 -1.2494 -1.2493 -0.2653 -0.2634 0.4912 0.4953 1.2594 1.2641 1.4646 1.4680 2.4423 2.4478 2.6867 2.6884 3.2995 3.3120 4.1896 4.1997 4.3278 4.3294 4.7509 4.7537 6.0413 6.0563 6.1003 6.1031 6.5240 6.5251 6.7280 6.7359 7.5270 7.5316 7.7327 7.7357 9.6263 9.6327 9.8686 9.8753 10.2873 10.2929 10.7625 10.7676 11.6092 11.6173 k = 0.2358 0.4084 0.4929 ( 3764 PWs) bands (ev): -8.8215 -8.8211 -8.6083 -8.6080 -7.7054 -7.7040 -6.5482 -6.5482 -5.6515 -5.6508 -5.5138 -5.5135 -2.7932 -2.7906 -1.2246 -1.2243 -0.2839 -0.2817 0.4640 0.4683 1.2745 1.2798 1.5034 1.5067 2.4053 2.4108 2.6569 2.6592 3.3253 3.3379 4.1911 4.2017 4.3288 4.3298 4.7336 4.7365 6.0372 6.0526 6.1211 6.1255 6.5407 6.5425 6.7344 6.7441 7.4993 7.5041 7.7337 7.7373 9.6351 9.6418 9.9042 9.9113 10.3436 10.3503 10.7316 10.7374 11.6096 11.6171 k = 0.2276 0.3943 0.4929 ( 3760 PWs) bands (ev): -8.8456 -8.8452 -8.6457 -8.6455 -7.6443 -7.6429 -6.5182 -6.5181 -5.6421 -5.6415 -5.4897 -5.4894 -2.8782 -2.8754 -1.2030 -1.2027 -0.3034 -0.3009 0.4378 0.4424 1.2808 1.2867 1.5371 1.5402 2.3743 2.3798 2.6347 2.6377 3.3514 3.3639 4.1918 4.2029 4.3266 4.3270 4.7153 4.7184 6.0352 6.0508 6.1426 6.1484 6.5538 6.5563 6.7460 6.7575 7.4709 7.4759 7.7334 7.7375 9.6468 9.6539 9.9420 9.9494 10.4001 10.4078 10.7012 10.7076 11.6123 11.6190 k = 0.2195 0.3802 0.4929 ( 3760 PWs) bands (ev): -8.8698 -8.8694 -8.6831 -8.6828 -7.5813 -7.5799 -6.4866 -6.4866 -5.6325 -5.6319 -5.4646 -5.4643 -2.9634 -2.9605 -1.1843 -1.1839 -0.3237 -0.3209 0.4129 0.4177 1.2777 1.2842 1.5623 1.5652 2.3527 2.3583 2.6212 2.6249 3.3775 3.3899 4.1917 4.2033 4.3204 4.3206 4.6972 4.7003 6.0354 6.0512 6.1631 6.1700 6.5628 6.5661 6.7638 6.7768 7.4424 7.4477 7.7319 7.7365 9.6610 9.6685 9.9811 9.9889 10.4563 10.4654 10.6719 10.6788 11.6176 11.6233 k = 0.2114 0.3661 0.4929 ( 3760 PWs) bands (ev): -8.8940 -8.8937 -8.7202 -8.7200 -7.5166 -7.5151 -6.4537 -6.4536 -5.6228 -5.6222 -5.4385 -5.4382 -3.0487 -3.0457 -1.1681 -1.1676 -0.3446 -0.3415 0.3890 0.3941 1.2649 1.2719 1.5756 1.5782 2.3436 2.3493 2.6170 2.6215 3.4035 3.4158 4.1909 4.2029 4.3096 4.3103 4.6801 4.6832 6.0379 6.0538 6.1811 6.1890 6.5671 6.5710 6.7881 6.8022 7.4147 7.4201 7.7298 7.7348 9.6775 9.6853 10.0207 10.0288 10.5121 10.5225 10.6442 10.6516 11.6256 11.6303 k = 0.2033 0.3520 0.4929 ( 3764 PWs) bands (ev): -8.9182 -8.9178 -8.7569 -8.7567 -7.4502 -7.4486 -6.4196 -6.4195 -5.6131 -5.6125 -5.4116 -5.4114 -3.1341 -3.1310 -1.1539 -1.1533 -0.3662 -0.3628 0.3664 0.3716 1.2426 1.2501 1.5745 1.5767 2.3493 2.3552 2.6224 2.6275 3.4293 3.4414 4.1896 4.2018 4.2944 4.2955 4.6648 4.6678 6.0426 6.0584 6.1961 6.2045 6.5662 6.5707 6.8187 6.8335 7.3885 7.3940 7.7277 7.7329 9.6959 9.7041 10.0598 10.0683 10.5667 10.5787 10.6188 10.6265 11.6366 11.6403 k = 0.1951 0.3380 0.4929 ( 3770 PWs) bands (ev): -8.9421 -8.9418 -8.7931 -8.7929 -7.3822 -7.3805 -6.3845 -6.3844 -5.6036 -5.6029 -5.3841 -5.3839 -3.2196 -3.2164 -1.1414 -1.1407 -0.3883 -0.3846 0.3448 0.3502 1.2117 1.2196 1.5580 1.5599 2.3703 2.3764 2.6367 2.6423 3.4546 3.4666 4.1881 4.2004 4.2749 4.2761 4.6517 4.6545 6.0493 6.0649 6.2079 6.2165 6.5596 6.5645 6.8547 6.8697 7.3643 7.3698 7.7261 7.7315 9.7160 9.7245 10.0977 10.1064 10.5944 10.6038 10.6218 10.6339 11.6494 11.6531 k = 0.1870 0.3239 0.4929 ( 3758 PWs) bands (ev): -8.9657 -8.9654 -8.8286 -8.8284 -7.3126 -7.3108 -6.3485 -6.3485 -5.5941 -5.5935 -5.3559 -5.3558 -3.3051 -3.3019 -1.1300 -1.1292 -0.4110 -0.4070 0.3244 0.3300 1.1733 1.1816 1.5275 1.5291 2.4053 2.4115 2.6591 2.6652 3.4794 3.4913 4.1867 4.1987 4.2513 4.2525 4.6408 4.6434 6.0576 6.0729 6.2170 6.2253 6.5471 6.5523 6.8944 6.9091 7.3427 7.3480 7.7262 7.7314 9.7375 9.7464 10.1334 10.1422 10.5750 10.5842 10.6733 10.6873 11.6314 11.6331 k = 0.1789 0.3098 0.4929 ( 3758 PWs) bands (ev): -8.9889 -8.9886 -8.8633 -8.8630 -7.2415 -7.2397 -6.3120 -6.3120 -5.5850 -5.5844 -5.3274 -5.3273 -3.3907 -3.3874 -1.1195 -1.1186 -0.4341 -0.4299 0.3051 0.3108 1.1290 1.1374 1.4852 1.4866 2.4516 2.4579 2.6884 2.6949 3.5034 3.5152 4.1858 4.1967 4.2249 4.2253 4.6318 4.6342 6.0673 6.0822 6.2240 6.2318 6.5286 6.5340 6.9359 6.9497 7.3237 7.3287 7.7288 7.7337 9.7602 9.7693 10.1661 10.1750 10.5583 10.5677 10.7232 10.7384 11.5951 11.5955 k = 0.1707 0.2957 0.4929 ( 3758 PWs) bands (ev): -9.0117 -9.0113 -8.8970 -8.8968 -7.1691 -7.1672 -6.2749 -6.2749 -5.5763 -5.5757 -5.2986 -5.2985 -3.4762 -3.4729 -1.1096 -1.1086 -0.4577 -0.4532 0.2868 0.2927 1.0801 1.0887 1.4338 1.4350 2.5062 2.5126 2.7235 2.7303 3.5265 3.5382 4.1857 4.1872 4.1952 4.2039 4.6244 4.6265 6.0778 6.0923 6.2296 6.2367 6.5048 6.5100 6.9769 6.9894 7.3073 7.3118 7.7351 7.7394 9.7839 9.7933 10.1954 10.2042 10.5449 10.5546 10.7709 10.7871 11.5572 11.5574 k = 0.1626 0.2816 0.4929 ( 3762 PWs) bands (ev): -9.0338 -9.0335 -8.9297 -8.9295 -7.0952 -7.0933 -6.2376 -6.2375 -5.5680 -5.5674 -5.2697 -5.2697 -3.5617 -3.5584 -1.0998 -1.0988 -0.4817 -0.4770 0.2697 0.2757 1.0280 1.0367 1.3758 1.3767 2.5666 2.5731 2.7631 2.7701 3.5483 3.5599 4.1581 4.1625 4.1873 4.2014 4.6180 4.6199 6.0887 6.1026 6.2347 6.2408 6.4763 6.4813 7.0151 7.0261 7.2930 7.2969 7.7463 7.7497 9.8086 9.8180 10.2207 10.2292 10.5350 10.5448 10.8160 10.8329 11.5188 11.5196 k = 0.1545 0.2676 0.4929 ( 3758 PWs) bands (ev): -9.0553 -9.0549 -8.9613 -8.9611 -7.0201 -7.0181 -6.2001 -6.2000 -5.5603 -5.5597 -5.2409 -5.2409 -3.6472 -3.6438 -1.0900 -1.0889 -0.5061 -0.5012 0.2536 0.2597 0.9741 0.9828 1.3130 1.3137 2.6308 2.6372 2.8061 2.8133 3.5688 3.5803 4.1245 4.1285 4.1905 4.2037 4.6122 4.6138 6.0990 6.1124 6.2399 6.2449 6.4445 6.4491 7.0486 7.0576 7.2801 7.2834 7.7633 7.7657 9.8341 9.8436 10.2417 10.2498 10.5285 10.5384 10.8584 10.8757 11.4809 11.4821 k = 0.1463 0.2535 0.4929 ( 3750 PWs) bands (ev): -9.0760 -9.0757 -8.9917 -8.9915 -6.9438 -6.9417 -6.1625 -6.1625 -5.5532 -5.5526 -5.2125 -5.2124 -3.7324 -3.7290 -1.0800 -1.0788 -0.5309 -0.5258 0.2385 0.2447 0.9195 0.9281 1.2470 1.2474 2.6969 2.7034 2.8516 2.8591 3.5875 3.5990 4.0895 4.0934 4.1960 4.2084 4.6067 4.6081 6.1076 6.1203 6.2456 6.2496 6.4113 6.4152 7.0758 7.0826 7.2680 7.2706 7.7868 7.7878 9.8603 9.8698 10.2583 10.2658 10.5253 10.5352 10.8983 10.9155 11.4442 11.4458 k = 0.1382 0.2394 0.4929 ( 3748 PWs) bands (ev): -9.0960 -9.0957 -9.0207 -9.0206 -6.8664 -6.8642 -6.1252 -6.1252 -5.5468 -5.5463 -5.1845 -5.1843 -3.8175 -3.8141 -1.0695 -1.0683 -0.5559 -0.5507 0.2243 0.2307 0.8650 0.8735 1.1788 1.1790 2.7638 2.7704 2.8988 2.9064 3.6043 3.6159 4.0538 4.0579 4.2041 4.2158 4.6012 4.6024 6.1127 6.1248 6.2524 6.2551 6.3791 6.3822 7.0957 7.1003 7.2558 7.2577 7.8164 7.8168 9.8873 9.8966 10.2706 10.2774 10.5252 10.5350 10.9356 10.9524 11.4091 11.4110 k = 0.1301 0.2253 0.4929 ( 3752 PWs) bands (ev): -9.1151 -9.1148 -9.0485 -9.0483 -6.7879 -6.7856 -6.0882 -6.0881 -5.5412 -5.5407 -5.1573 -5.1571 -3.9023 -3.8989 -1.0584 -1.0571 -0.5812 -0.5759 0.2111 0.2175 0.8116 0.8199 1.1095 1.1095 2.8304 2.8370 2.9469 2.9547 3.6190 3.6306 4.0181 4.0223 4.2150 4.2259 4.5954 4.5965 6.1118 6.1231 6.2604 6.2618 6.3513 6.3535 7.1081 7.1106 7.2429 7.2440 7.8508 7.8525 9.9149 9.9240 10.2787 10.2849 10.5278 10.5374 10.9706 10.9866 11.3761 11.3783 k = 0.1220 0.2112 0.4929 ( 3748 PWs) bands (ev): -9.1333 -9.1331 -9.0748 -9.0746 -6.7084 -6.7061 -6.0516 -6.0516 -5.5365 -5.5359 -5.1312 -5.1309 -3.9867 -3.9833 -1.0466 -1.0453 -0.6065 -0.6013 0.1988 0.2053 0.7599 0.7680 1.0397 1.0400 2.8960 2.9026 2.9954 3.0033 3.6314 3.6431 3.9825 3.9871 4.2288 4.2390 4.5894 4.5903 6.1018 6.1124 6.2696 6.2699 6.3316 6.3329 7.1136 7.1140 7.2288 7.2290 7.8901 7.8930 9.9430 9.9518 10.2831 10.2885 10.5327 10.5421 11.0033 11.0183 11.3458 11.3482 k = 0.1138 0.1971 0.4929 ( 3754 PWs) bands (ev): -9.1506 -9.1504 -9.0996 -9.0995 -6.6280 -6.6256 -6.0157 -6.0156 -5.5326 -5.5321 -5.1064 -5.1060 -4.0704 -4.0671 -1.0341 -1.0327 -0.6319 -0.6267 0.1873 0.1938 0.7104 0.7183 0.9702 0.9707 2.9598 2.9664 3.0436 3.0517 3.6416 3.6533 3.9476 3.9524 4.2456 4.2549 4.5832 4.5839 6.0815 6.0911 6.2793 6.2802 6.3221 6.3226 7.1115 7.1127 7.2123 7.2129 7.9328 7.9366 9.9714 9.9799 10.2842 10.2888 10.5395 10.5486 11.0338 11.0477 11.3185 11.3210 k = 0.1057 0.1831 0.4929 ( 3756 PWs) bands (ev): -9.1669 -9.1666 -9.1229 -9.1228 -6.5468 -6.5443 -5.9805 -5.9804 -5.5298 -5.5293 -5.0834 -5.0829 -4.1533 -4.1501 -1.0207 -1.0192 -0.6571 -0.6519 0.1766 0.1831 0.6637 0.6713 0.9017 0.9025 3.0214 3.0280 3.0911 3.0994 3.6495 3.6612 3.9134 3.9186 4.2650 4.2735 4.5766 4.5773 6.0522 6.0608 6.2902 6.2920 6.3219 6.3220 7.1041 7.1067 7.1937 7.1949 7.9775 7.9820 9.9998 10.0078 10.2825 10.2864 10.5479 10.5566 11.0622 11.0747 11.2945 11.2972 k = 0.0976 0.1690 0.4929 ( 3748 PWs) bands (ev): -9.1821 -9.1819 -9.1447 -9.1446 -6.4649 -6.4623 -5.9462 -5.9462 -5.5280 -5.5275 -5.0627 -5.0620 -4.2349 -4.2318 -1.0065 -1.0050 -0.6819 -0.6769 0.1666 0.1731 0.6201 0.6273 0.8348 0.8358 3.0804 3.0870 3.1375 3.1460 3.6552 3.6668 3.8803 3.8858 4.2868 4.2944 4.5699 4.5704 6.0169 6.0246 6.3028 6.3051 6.3282 6.3284 7.0927 7.0965 7.1730 7.1749 8.0229 8.0278 10.0278 10.0354 10.2786 10.2818 10.5573 10.5657 11.0886 11.0997 11.2741 11.2770 k = 0.0894 0.1549 0.4929 ( 3740 PWs) bands (ev): -9.1962 -9.1960 -9.1648 -9.1647 -6.3824 -6.3797 -5.9130 -5.9129 -5.5272 -5.5267 -5.0450 -5.0441 -4.3148 -4.3119 -0.9916 -0.9901 -0.7062 -0.7014 0.1572 0.1638 0.5797 0.5865 0.7701 0.7714 3.1365 3.1431 3.1824 3.1911 3.6587 3.6703 3.8483 3.8542 4.3104 4.3171 4.5631 4.5636 5.9787 5.9856 6.3170 6.3195 6.3389 6.3391 7.0784 7.0830 7.1504 7.1529 8.0676 8.0727 10.0551 10.0622 10.2730 10.2756 10.5674 10.5753 11.1129 11.1226 11.2576 11.2605 k = 0.0813 0.1408 0.4929 ( 3740 PWs) bands (ev): -9.2093 -9.2091 -9.1833 -9.1832 -6.2994 -6.2967 -5.8809 -5.8808 -5.5276 -5.5272 -5.0311 -5.0301 -4.3920 -4.3893 -0.9761 -0.9746 -0.7297 -0.7251 0.1485 0.1549 0.5428 0.5491 0.7082 0.7098 3.1895 3.1960 3.2256 3.2344 3.6604 3.6718 3.8177 3.8240 4.3352 4.3410 4.5563 4.5568 5.9399 5.9460 6.3324 6.3349 6.3520 6.3524 7.0618 7.0671 7.1260 7.1290 8.1106 8.1159 10.0812 10.0878 10.2663 10.2685 10.5777 10.5852 11.1351 11.1433 11.2449 11.2478 k = 0.0732 0.1267 0.4929 ( 3740 PWs) bands (ev): -9.2212 -9.2210 -9.2001 -9.2001 -6.2161 -6.2133 -5.8502 -5.8501 -5.5292 -5.5287 -5.0225 -5.0212 -4.4654 -4.4629 -0.9602 -0.9588 -0.7520 -0.7478 0.1402 0.1466 0.5095 0.5153 0.6498 0.6515 3.2390 3.2456 3.2668 3.2757 3.6601 3.6713 3.7884 3.7951 4.3604 4.3655 4.5497 4.5501 5.9021 5.9075 6.3488 6.3512 6.3667 6.3670 7.0438 7.0494 7.1003 7.1036 8.1512 8.1563 10.1058 10.1118 10.2590 10.2607 10.5880 10.5950 11.1552 11.1620 11.2359 11.2388 k = 0.0650 0.1127 0.4929 ( 3740 PWs) bands (ev): -9.2319 -9.2317 -9.2153 -9.2152 -6.1326 -6.1298 -5.8209 -5.8208 -5.5319 -5.5315 -5.0211 -5.0194 -4.5330 -4.5309 -0.9442 -0.9428 -0.7731 -0.7692 0.1324 0.1387 0.4798 0.4850 0.5954 0.5974 3.2851 3.2916 3.3057 3.3148 3.6582 3.6691 3.7607 3.7678 4.3855 4.3898 4.5435 4.5438 5.8663 5.8711 6.3658 6.3679 6.3821 6.3825 7.0250 7.0306 7.0738 7.0773 8.1886 8.1935 10.1283 10.1337 10.2516 10.2529 10.5979 10.6043 11.1732 11.1787 11.2305 11.2333 k = 0.0569 0.0986 0.4929 ( 3740 PWs) bands (ev): -9.2414 -9.2413 -9.2287 -9.2286 -6.0492 -6.0463 -5.7931 -5.7930 -5.5358 -5.5354 -5.0293 -5.0272 -4.5924 -4.5907 -0.9284 -0.9270 -0.7924 -0.7889 0.1250 0.1310 0.4536 0.4583 0.5458 0.5479 3.3277 3.3340 3.3424 3.3514 3.6547 3.6653 3.7344 3.7419 4.4096 4.4132 4.5376 4.5379 5.8334 5.8375 6.3830 6.3848 6.3979 6.3981 7.0059 7.0114 7.0472 7.0507 8.2224 8.2269 10.1486 10.1533 10.2443 10.2454 10.6072 10.6130 11.1889 11.1933 11.2282 11.2308 k = 0.0488 0.0845 0.4929 ( 3736 PWs) bands (ev): -9.2497 -9.2496 -9.2403 -9.2402 -5.9662 -5.9633 -5.7672 -5.7671 -5.5408 -5.5405 -5.0495 -5.0470 -4.6410 -4.6398 -0.9131 -0.9119 -0.8099 -0.8068 0.1181 0.1237 0.4311 0.4351 0.5017 0.5039 3.3665 3.3722 3.3770 3.3854 3.6497 3.6598 3.7098 3.7176 4.4320 4.4349 4.5323 4.5326 5.8040 5.8075 6.3999 6.4014 6.4133 6.4135 6.9873 6.9923 7.0212 7.0246 8.2522 8.2562 10.1663 10.1704 10.2375 10.2384 10.6156 10.6207 11.2025 11.2058 11.2284 11.2308 k = 0.0407 0.0704 0.4929 ( 3732 PWs) bands (ev): -9.2567 -9.2566 -9.2502 -9.2501 -5.8841 -5.8811 -5.7433 -5.7432 -5.5468 -5.5465 -5.0833 -5.0804 -4.6770 -4.6763 -0.8989 -0.8978 -0.8251 -0.8225 0.1116 0.1168 0.4119 0.4152 0.4638 0.4659 3.4016 3.4053 3.4101 3.4166 3.6434 3.6529 3.6869 3.6948 4.4521 4.4544 4.5277 4.5279 5.7786 5.7815 6.4161 6.4172 6.4280 6.4280 6.9697 6.9740 6.9969 6.9998 8.2777 8.2812 10.1814 10.1847 10.2315 10.2323 10.6230 10.6274 11.2139 11.2162 11.2306 11.2325 k = 0.0325 0.0563 0.4929 ( 3732 PWs) bands (ev): -9.2625 -9.2624 -9.2583 -9.2582 -5.8037 -5.8007 -5.7217 -5.7216 -5.5537 -5.5534 -5.1292 -5.1260 -4.7012 -4.7008 -0.8863 -0.8853 -0.8379 -0.8358 0.1058 0.1102 0.3959 0.3983 0.4329 0.4346 3.4325 3.4340 3.4407 3.4449 3.6359 3.6444 3.6660 3.6737 4.4692 4.4710 4.5239 4.5241 5.7575 5.7599 6.4310 6.4317 6.4411 6.4412 6.9537 6.9569 6.9752 6.9773 8.2987 8.3016 10.1937 10.1962 10.2265 10.2272 10.6293 10.6329 11.2231 11.2246 11.2339 11.2353 k = 0.0244 0.0422 0.4929 ( 3742 PWs) bands (ev): -9.2670 -9.2670 -9.2646 -9.2645 -5.7265 -5.7235 -5.7029 -5.7028 -5.5609 -5.5606 -5.1833 -5.1802 -4.7160 -4.7158 -0.8757 -0.8750 -0.8480 -0.8464 0.1009 0.1044 0.3828 0.3843 0.4096 0.4107 3.4589 3.4590 3.4671 3.4699 3.6276 3.6343 3.6481 3.6546 4.4830 4.4843 4.5209 4.5210 5.7410 5.7427 6.4439 6.4443 6.4521 6.4522 6.9401 6.9420 6.9573 6.9584 8.3153 8.3175 10.2031 10.2048 10.2226 10.2234 10.6343 10.6371 11.2303 11.2311 11.2375 11.2384 k = 0.0163 0.0282 0.4929 ( 3740 PWs) bands (ev): -9.2703 -9.2703 -9.2690 -9.2690 -5.6878 -5.6877 -5.6556 -5.6530 -5.5676 -5.5675 -5.2396 -5.2368 -4.7243 -4.7242 -0.8677 -0.8672 -0.8552 -0.8542 0.0972 0.0997 0.3724 0.3730 0.3942 0.3946 3.4797 3.4800 3.4884 3.4904 3.6192 3.6226 3.6347 3.6385 4.4930 4.4938 4.5188 4.5190 5.7292 5.7304 6.4542 6.4544 6.4603 6.4604 6.9294 6.9302 6.9440 6.9442 8.3272 8.3287 10.2095 10.2103 10.2202 10.2211 10.6381 10.6400 11.2355 11.2357 11.2406 11.2410 k = 0.0081 0.0141 0.4929 ( 3748 PWs) bands (ev): -9.2724 -9.2724 -9.2716 -9.2716 -5.6776 -5.6775 -5.5991 -5.5973 -5.5728 -5.5727 -5.2875 -5.2856 -4.7284 -4.7284 -0.8628 -0.8624 -0.8595 -0.8590 0.0951 0.0964 0.3653 0.3654 0.3858 0.3858 3.4941 3.4942 3.5031 3.5045 3.6119 3.6125 3.6262 3.6273 4.4990 4.4994 4.5178 4.5178 5.7222 5.7228 6.4611 6.4611 6.4652 6.4653 6.9224 6.9225 6.9356 6.9357 8.3345 8.3353 10.2125 10.2126 10.2197 10.2204 10.6406 10.6415 11.2386 11.2386 11.2426 11.2428 k = 0.0000 0.0000 0.4929 ( 3740 PWs) bands (ev): -9.2731 -9.2731 -9.2724 -9.2724 -5.6739 -5.6739 -5.5751 -5.5751 -5.5744 -5.5744 -5.3076 -5.3076 -4.7297 -4.7297 -0.8612 -0.8612 -0.8605 -0.8605 0.0948 0.0948 0.3627 0.3627 0.3831 0.3831 3.4994 3.4994 3.5091 3.5091 3.6086 3.6086 3.6233 3.6233 4.5011 4.5011 4.5175 4.5175 5.7200 5.7200 6.4636 6.4636 6.4667 6.4667 6.9199 6.9199 6.9328 6.9328 8.3372 8.3372 10.2131 10.2131 10.2203 10.2203 10.6418 10.6418 11.2396 11.2396 11.2434 11.2434 k = 0.5000 0.2887 0.4929 ( 3756 PWs) bands (ev): -8.8545 -8.8545 -8.2189 -8.2189 -8.1306 -8.1306 -6.6218 -6.6218 -5.6628 -5.6628 -5.2725 -5.2725 -3.1245 -3.1245 -1.0850 -1.0850 -0.0935 -0.0935 0.5690 0.5690 1.2581 1.2581 1.6782 1.6782 2.4580 2.4580 2.6714 2.6714 2.7587 2.7587 4.3910 4.3910 4.5971 4.5971 4.7091 4.7091 5.5674 5.5674 6.2357 6.2357 6.6200 6.6200 6.6551 6.6551 7.2761 7.2761 7.9931 7.9931 9.5473 9.5473 10.0674 10.0674 10.5661 10.5661 11.1037 11.1037 11.1886 11.1886 k = 0.5000 0.2887 0.4765 ( 3752 PWs) bands (ev): -8.8569 -8.8568 -8.2290 -8.2285 -8.1192 -8.1186 -6.6202 -6.6202 -5.6644 -5.6643 -5.2678 -5.2677 -3.1264 -3.1258 -1.0889 -1.0881 -0.0951 -0.0945 0.5652 0.5665 1.2606 1.2627 1.6731 1.6735 2.4581 2.4590 2.6671 2.6702 2.7638 2.7645 4.3772 4.3800 4.6019 4.6073 4.7073 4.7101 5.5636 5.5694 6.2404 6.2450 6.5984 6.6048 6.6800 6.6864 7.2751 7.2768 7.9923 7.9942 9.5457 9.5469 10.0672 10.0680 10.5637 10.5642 11.0961 11.1072 11.1852 11.1966 k = 0.5000 0.2887 0.4601 ( 3760 PWs) bands (ev): -8.8638 -8.8637 -8.2504 -8.2497 -8.0927 -8.0918 -6.6156 -6.6155 -5.6687 -5.6685 -5.2542 -5.2541 -3.1316 -3.1304 -1.0999 -1.0984 -0.0995 -0.0981 0.5555 0.5580 1.2701 1.2740 1.6584 1.6591 2.4594 2.4611 2.6595 2.6649 2.7779 2.7789 4.3444 4.3488 4.6150 4.6249 4.7073 4.7134 5.5586 5.5695 6.2582 6.2670 6.5802 6.5865 6.7277 6.7340 7.2740 7.2776 7.9919 7.9957 9.5424 9.5448 10.0675 10.0690 10.5567 10.5579 11.0873 11.1059 11.1874 11.2065 k = 0.5000 0.2887 0.4436 ( 3756 PWs) bands (ev): -8.8750 -8.8748 -8.2748 -8.2741 -8.0598 -8.0587 -6.6079 -6.6078 -5.6745 -5.6744 -5.2327 -5.2326 -3.1399 -3.1382 -1.1180 -1.1159 -0.1063 -0.1042 0.5402 0.5439 1.2859 1.2916 1.6348 1.6356 2.4618 2.4642 2.6514 2.6584 2.7975 2.7989 4.3006 4.3058 4.6223 4.6349 4.7167 4.7257 5.5527 5.5677 6.2860 6.2983 6.5761 6.5820 6.7826 6.7878 7.2734 7.2791 7.9920 7.9978 9.5377 9.5413 10.0681 10.0703 10.5449 10.5467 11.0802 11.1025 11.1930 11.2162 k = 0.5000 0.2887 0.4272 ( 3760 PWs) bands (ev): -8.8899 -8.8898 -8.2996 -8.2990 -8.0236 -8.0225 -6.5973 -6.5972 -5.6806 -5.6804 -5.2048 -5.2046 -3.1512 -3.1489 -1.1432 -1.1405 -0.1154 -0.1127 0.5205 0.5252 1.3071 1.3144 1.6033 1.6041 2.4652 2.4684 2.6441 2.6523 2.8200 2.8220 4.2507 4.2563 4.6176 4.6308 4.7385 4.7495 5.5466 5.5644 6.3188 6.3339 6.5899 6.5963 6.8413 6.8449 7.2743 7.2822 7.9930 8.0008 9.5321 9.5368 10.0688 10.0716 10.5277 10.5304 11.0767 11.1003 11.1994 11.2244 k = 0.5000 0.2887 0.4108 ( 3760 PWs) bands (ev): -8.9082 -8.9080 -8.3241 -8.3234 -7.9855 -7.9843 -6.5841 -6.5840 -5.6856 -5.6853 -5.1718 -5.1716 -3.1652 -3.1623 -1.1753 -1.1721 -0.1270 -0.1236 0.4973 0.5031 1.3324 1.3411 1.5650 1.5661 2.4695 2.4733 2.6382 2.6473 2.8440 2.8467 4.1973 4.2031 4.6048 4.6183 4.7664 4.7794 5.5408 5.5602 6.3515 6.3686 6.6242 6.6324 6.9008 6.9025 7.2784 7.2888 7.9954 8.0052 9.5263 9.5320 10.0694 10.0726 10.5052 10.5088 11.0781 11.1015 11.2049 11.2304 k = 0.5000 0.2887 0.3943 ( 3758 PWs) bands (ev): -8.9291 -8.9288 -8.3480 -8.3474 -7.9462 -7.9449 -6.5684 -6.5683 -5.6882 -5.6880 -5.1351 -5.1349 -3.1815 -3.1781 -1.2143 -1.2107 -0.1412 -0.1373 0.4723 0.4791 1.3599 1.3698 1.5220 1.5239 2.4744 2.4788 2.6337 2.6435 2.8687 2.8719 4.1422 4.1481 4.5885 4.6027 4.7952 4.8104 5.5359 5.5559 6.3819 6.4000 6.6790 6.6889 6.9561 6.9587 7.2887 7.3017 7.9997 8.0116 9.5208 9.5276 10.0697 10.0732 10.4775 10.4821 11.0845 11.1068 11.2093 11.2341 k = 0.5000 0.2887 0.3779 ( 3762 PWs) bands (ev): -8.9520 -8.9518 -8.3714 -8.3708 -7.9062 -7.9048 -6.5505 -6.5504 -5.6877 -5.6874 -5.0959 -5.0957 -3.1998 -3.1960 -1.2598 -1.2559 -0.1588 -0.1543 0.4468 0.4547 1.3844 1.3947 1.4797 1.4833 2.4794 2.4844 2.6305 2.6407 2.8932 2.8969 4.0864 4.0923 4.5715 4.5863 4.8226 4.8400 5.5325 5.5525 6.4109 6.4293 6.7495 6.7600 7.0039 7.0098 7.3089 7.3240 8.0070 8.0210 9.5163 9.5241 10.0694 10.0731 10.4455 10.4511 11.0953 11.1156 11.2127 11.2362 k = 0.5000 0.2887 0.3615 ( 3762 PWs) bands (ev): -8.9765 -8.9763 -8.3943 -8.3937 -7.8662 -7.8647 -6.5305 -6.5303 -5.6832 -5.6829 -5.0551 -5.0549 -3.2196 -3.2153 -1.3114 -1.3072 -0.1806 -0.1758 0.4229 0.4318 1.3838 1.3895 1.4622 1.4693 2.4842 2.4897 2.6281 2.6388 2.9174 2.9213 4.0312 4.0370 4.5551 4.5706 4.8477 4.8673 5.5311 5.5506 6.4401 6.4581 6.8281 6.8377 7.0440 7.0537 7.3423 7.3585 8.0186 8.0347 9.5132 9.5220 10.0685 10.0721 10.4103 10.4169 11.1091 11.1262 11.2168 11.2374 k = 0.5000 0.2887 0.3451 ( 3774 PWs) bands (ev): -9.0020 -9.0018 -8.4167 -8.4162 -7.8265 -7.8250 -6.5085 -6.5083 -5.6743 -5.6740 -5.0137 -5.0135 -3.2402 -3.2356 -1.3684 -1.3640 -0.2078 -0.2028 0.4020 0.4121 1.3435 1.3451 1.4829 1.4929 2.4881 2.4942 2.6266 2.6375 2.9406 2.9448 3.9773 3.9829 4.5401 4.5561 4.8702 4.8916 5.5322 5.5510 6.4701 6.4874 6.9036 6.9113 7.0813 7.0960 7.3899 7.4054 8.0358 8.0541 9.5118 9.5216 10.0669 10.0700 10.3732 10.3806 11.1235 11.1354 11.2237 11.2395 k = 0.5000 0.2887 0.3286 ( 3766 PWs) bands (ev): -9.0281 -9.0279 -8.4387 -8.4382 -7.7877 -7.7862 -6.4845 -6.4843 -5.6608 -5.6604 -4.9726 -4.9724 -3.2612 -3.2562 -1.4301 -1.4257 -0.2415 -0.2364 0.3857 0.3971 1.2896 1.2920 1.5145 1.5255 2.4907 2.4974 2.6257 2.6368 2.9629 2.9670 3.9254 3.9309 4.5269 4.5432 4.8903 4.9130 5.5361 5.5541 6.5004 6.5167 6.9599 6.9662 7.1295 7.1494 7.4497 7.4634 8.0602 8.0805 9.5119 9.5228 10.0646 10.0670 10.3357 10.3438 11.1354 11.1403 11.2359 11.2451 k = 0.5000 0.2887 0.3122 ( 3754 PWs) bands (ev): -9.0544 -9.0541 -8.4602 -8.4597 -7.7502 -7.7486 -6.4585 -6.4583 -5.6425 -5.6422 -4.9327 -4.9326 -3.2816 -3.2764 -1.4960 -1.4915 -0.2824 -0.2774 0.3750 0.3878 1.2327 1.2368 1.5480 1.5595 2.4914 2.4988 2.6254 2.6367 2.9839 2.9880 3.8761 3.8814 4.5158 4.5322 4.9082 4.9319 5.5429 5.5600 6.5296 6.5447 6.9887 6.9943 7.1969 7.2193 7.5202 7.5313 8.0930 8.1151 9.5133 9.5254 10.0617 10.0630 10.2991 10.3076 11.1393 11.1421 11.2535 11.2573 k = 0.5000 0.2887 0.2958 ( 3756 PWs) bands (ev): -9.0805 -9.0803 -8.4812 -8.4807 -7.7145 -7.7129 -6.4304 -6.4301 -5.6196 -5.6193 -4.8950 -4.8949 -3.3009 -3.2954 -1.5651 -1.5607 -0.3308 -0.3259 0.3699 0.3842 1.1758 1.1814 1.5814 1.5931 2.4898 2.4980 2.6258 2.6371 3.0036 3.0077 3.8297 3.8350 4.5066 4.5231 4.9246 4.9486 5.5528 5.5691 6.5557 6.5694 6.9989 7.0034 7.2735 7.2961 7.6013 7.6102 8.1349 8.1584 9.5154 9.5286 10.0582 10.0585 10.2647 10.2735 11.1339 11.1417 11.2730 11.2781 k = 0.5000 0.2887 0.2793 ( 3772 PWs) bands (ev): -9.1062 -9.1060 -8.5016 -8.5012 -7.6808 -7.6792 -6.3999 -6.3996 -5.5924 -5.5920 -4.8605 -4.8604 -3.3181 -3.3125 -1.6366 -1.6323 -0.3862 -0.3814 0.3702 0.3860 1.1199 1.1273 1.6137 1.6254 2.4856 2.4944 2.6269 2.6383 3.0218 3.0260 3.7865 3.7918 4.4995 4.5159 4.9399 4.9638 5.5657 5.5812 6.5767 6.5888 6.9989 7.0026 7.3485 7.3703 7.6936 7.7015 8.1854 8.2100 9.5171 9.5315 10.0532 10.0554 10.2337 10.2425 11.1254 11.1362 11.2952 11.3029 k = 0.5000 0.2887 0.2629 ( 3768 PWs) bands (ev): -9.1313 -9.1310 -8.5214 -8.5210 -7.6496 -7.6480 -6.3668 -6.3666 -5.5612 -5.5609 -4.8299 -4.8298 -3.3325 -3.3267 -1.7098 -1.7056 -0.4479 -0.4433 0.3748 0.3923 1.0663 1.0754 1.6446 1.6561 2.4785 2.4879 2.6290 2.6404 3.0385 3.0430 3.7465 3.7520 4.4943 4.5105 4.9549 4.9781 5.5816 5.5963 6.5908 6.6014 6.9928 6.9961 7.4186 7.4388 7.7968 7.8050 8.2435 8.2687 9.5171 9.5326 10.0485 10.0529 10.2073 10.2157 11.1149 11.1272 11.3196 11.3288 k = 0.5000 0.2887 0.2465 ( 3772 PWs) bands (ev): -9.1555 -9.1553 -8.5405 -8.5401 -7.6210 -7.6194 -6.3310 -6.3308 -5.5268 -5.5264 -4.8043 -4.8041 -3.3432 -3.3373 -1.7837 -1.7797 -0.5150 -0.5105 0.3827 0.4017 1.0159 1.0268 1.6736 1.6848 2.4685 2.4783 2.6321 2.6434 3.0538 3.0588 3.7096 3.7154 4.4911 4.5070 4.9699 4.9922 5.6003 5.6144 6.5969 6.6064 6.9819 6.9850 7.4848 7.5031 7.9092 7.9181 8.3074 8.3330 9.5142 9.5306 10.0448 10.0517 10.1858 10.1936 11.1035 11.1162 11.3445 11.3544 k = 0.5000 0.2887 0.2300 ( 3764 PWs) bands (ev): -9.1787 -9.1785 -8.5588 -8.5584 -7.5951 -7.5936 -6.2924 -6.2921 -5.4897 -5.4894 -4.7843 -4.7841 -3.3496 -3.3437 -1.8575 -1.8537 -0.5864 -0.5819 0.3923 0.4129 0.9696 0.9822 1.7006 1.7114 2.4559 2.4658 2.6361 2.6472 3.0677 3.0733 3.6756 3.6818 4.4897 4.5053 4.9854 5.0064 5.6217 5.6353 6.5948 6.6039 6.9666 6.9695 7.5497 7.5660 8.0279 8.0376 8.3756 8.4013 9.5069 9.5239 10.0429 10.0521 10.1696 10.1766 11.0919 11.1045 11.3689 11.3790 k = 0.5000 0.2887 0.2136 ( 3762 PWs) bands (ev): -9.2007 -9.2005 -8.5761 -8.5758 -7.5722 -7.5707 -6.2508 -6.2505 -5.4509 -5.4505 -4.7705 -4.7701 -3.3511 -3.3454 -1.9303 -1.9267 -0.6610 -0.6566 0.4023 0.4244 0.9284 0.9427 1.7255 1.7358 2.4410 2.4509 2.6409 2.6518 3.0803 3.0868 3.6442 3.6508 4.4901 4.5051 5.0017 5.0212 5.6455 5.6590 6.5850 6.5943 6.9468 6.9495 7.6149 7.6296 8.1503 8.1606 8.4465 8.4720 9.4947 9.5118 10.0430 10.0540 10.1581 10.1645 11.0812 11.0932 11.3920 11.4020 k = 0.5000 0.2887 0.1972 ( 3762 PWs) bands (ev): -9.2215 -9.2213 -8.5926 -8.5922 -7.5521 -7.5506 -6.2063 -6.2060 -5.4113 -5.4108 -4.7629 -4.7624 -3.3478 -3.3422 -2.0012 -1.9979 -0.7378 -0.7335 0.4113 0.4344 0.8933 0.9090 1.7483 1.7581 2.4243 2.4340 2.6462 2.6568 3.0919 3.0992 3.6150 3.6220 4.4921 4.5064 5.0189 5.0369 5.6718 5.6853 6.5684 6.5786 6.9227 6.9252 7.6813 7.6947 8.2738 8.2843 8.5194 8.5442 9.4773 9.4943 10.0442 10.0567 10.1509 10.1565 11.0723 11.0834 11.4133 11.4229 k = 0.5000 0.2887 0.1807 ( 3762 PWs) bands (ev): -9.2409 -9.2407 -8.6079 -8.6076 -7.5347 -7.5333 -6.1591 -6.1588 -5.3719 -5.3714 -4.7613 -4.7608 -3.3398 -3.3344 -2.0692 -2.0662 -0.8158 -0.8116 0.4180 0.4416 0.8654 0.8820 1.7690 1.7781 2.4063 2.4157 2.6520 2.6621 3.1026 3.1108 3.5877 3.5952 4.4954 4.5091 5.0372 5.0536 5.7003 5.7140 6.5463 6.5576 6.8950 6.8972 7.7486 7.7611 8.3959 8.4058 8.5943 8.6177 9.4553 9.4719 10.0452 10.0585 10.1469 10.1518 11.0665 11.0764 11.4326 11.4417 k = 0.5000 0.2887 0.1643 ( 3758 PWs) bands (ev): -9.2588 -9.2586 -8.6222 -8.6219 -7.5198 -7.5186 -6.1094 -6.1091 -5.3343 -5.3338 -4.7651 -4.7644 -3.3277 -3.3226 -2.1332 -2.1304 -0.8940 -0.8899 0.4214 0.4448 0.8452 0.8620 1.7877 1.7961 2.3876 2.3966 2.6578 2.6675 3.1127 3.1216 3.5619 3.5699 4.5000 4.5128 5.0564 5.0712 5.7309 5.7450 6.5195 6.5320 6.8644 6.8665 7.8159 7.8280 8.5136 8.5215 8.6728 8.6929 9.4300 9.4461 10.0440 10.0578 10.1449 10.1491 11.0646 11.0734 11.4497 11.4581 k = 0.5000 0.2887 0.1479 ( 3762 PWs) bands (ev): -9.2752 -9.2751 -8.6353 -8.6351 -7.5074 -7.5062 -6.0576 -6.0573 -5.3000 -5.2994 -4.7727 -4.7720 -3.3125 -3.3078 -2.1921 -2.1897 -0.9714 -0.9674 0.4212 0.4435 0.8329 0.8491 1.8044 1.8120 2.3687 2.3771 2.6637 2.6728 3.1222 3.1318 3.5376 3.5459 4.5055 4.5174 5.0763 5.0895 5.7634 5.7780 6.4891 6.5028 6.8318 6.8340 7.8822 7.8940 8.6229 8.6260 8.7579 8.7714 9.4029 9.4185 10.0384 10.0525 10.1438 10.1473 11.0674 11.0751 11.4647 11.4723 k = 0.5000 0.2887 0.1314 ( 3766 PWs) bands (ev): -9.2900 -9.2899 -8.6472 -8.6470 -7.4970 -7.4960 -6.0042 -6.0039 -5.2709 -5.2702 -4.7826 -4.7818 -3.2956 -3.2912 -2.2448 -2.2427 -1.0468 -1.0429 0.4175 0.4380 0.8277 0.8425 1.8193 1.8261 2.3502 2.3579 2.6695 2.6779 3.1314 3.1415 3.5145 3.5231 4.5117 4.5225 5.0966 5.1082 5.7978 5.8130 6.4557 6.4704 6.7985 6.8007 7.9463 7.9580 8.7152 8.7198 8.8512 8.8553 9.3764 9.3917 10.0267 10.0406 10.1425 10.1456 11.0747 11.0817 11.4776 11.4845 k = 0.5000 0.2887 0.1150 ( 3764 PWs) bands (ev): -9.3032 -9.3031 -8.6578 -8.6576 -7.4886 -7.4877 -5.9500 -5.9496 -5.2491 -5.2484 -4.7924 -4.7916 -3.2782 -3.2744 -2.2903 -2.2885 -1.1190 -1.1154 0.4111 0.4292 0.8282 0.8411 1.8323 1.8383 2.3324 2.3394 2.6749 2.6825 3.1404 3.1507 3.4927 3.5015 4.5182 4.5280 5.1168 5.1269 5.8338 5.8496 6.4199 6.4356 6.7655 6.7678 8.0070 8.0184 8.7909 8.8021 8.9419 8.9479 9.3537 9.3694 10.0075 10.0208 10.1401 10.1433 11.0858 11.0924 11.4887 11.4948 k = 0.5000 0.2887 0.0986 ( 3780 PWs) bands (ev): -9.3147 -9.3146 -8.6671 -8.6669 -7.4818 -7.4810 -5.8956 -5.8952 -5.2365 -5.2357 -4.8000 -4.7993 -3.2620 -3.2587 -2.3279 -2.3264 -1.1868 -1.1834 0.4031 0.4185 0.8326 0.8434 1.8436 1.8487 2.3160 2.3222 2.6799 2.6867 3.1492 3.1594 3.4724 3.4811 4.5248 4.5333 5.1363 5.1450 5.8713 5.8876 6.3821 6.3987 6.7340 6.7363 8.0632 8.0740 8.8571 8.8722 9.0230 9.0368 9.3410 9.3578 9.9803 9.9927 10.1364 10.1399 11.0993 11.1057 11.4981 11.5035 k = 0.5000 0.2887 0.0822 ( 3780 PWs) bands (ev): -9.3245 -9.3244 -8.6750 -8.6748 -7.4764 -7.4758 -5.8423 -5.8418 -5.2339 -5.2331 -4.8040 -4.8034 -3.2480 -3.2452 -2.3571 -2.3559 -1.2486 -1.2456 0.3946 0.4072 0.8392 0.8480 1.8533 1.8576 2.3014 2.3067 2.6845 2.6903 3.1577 3.1676 3.4539 3.4622 4.5312 4.5384 5.1546 5.1618 5.9100 5.9268 6.3429 6.3601 6.7051 6.7073 8.1136 8.1236 8.9160 8.9331 9.0842 9.1030 9.3504 9.3676 9.9455 9.9567 10.1311 10.1348 11.1135 11.1196 11.5060 11.5108 k = 0.5000 0.2887 0.0657 ( 3786 PWs) bands (ev): -9.3326 -9.3325 -8.6815 -8.6814 -7.4723 -7.4718 -5.7915 -5.7911 -5.2409 -5.2401 -4.8041 -4.8036 -3.2369 -3.2347 -2.3783 -2.3773 -1.3027 -1.3001 0.3865 0.3964 0.8466 0.8534 1.8612 1.8647 2.2889 2.2932 2.6885 2.6932 3.1659 3.1748 3.4377 3.4453 4.5370 4.5428 5.1709 5.1767 5.9496 5.9668 6.3028 6.3204 6.6798 6.6818 8.1573 8.1660 8.9681 8.9860 9.1151 9.1340 9.3928 9.4072 9.9040 9.9139 10.1242 10.1278 11.1269 11.1323 11.5125 11.5166 k = 0.5000 0.2887 0.0493 ( 3784 PWs) bands (ev): -9.3388 -9.3388 -8.6866 -8.6865 -7.4693 -7.4689 -5.7455 -5.7451 -5.2548 -5.2541 -4.8013 -4.8009 -3.2289 -3.2273 -2.3923 -2.3915 -1.3474 -1.3453 0.3797 0.3871 0.8536 0.8585 1.8676 1.8702 2.2789 2.2822 2.6918 2.6954 3.1734 3.1809 3.4243 3.4308 4.5419 4.5464 5.1847 5.1890 5.9897 6.0070 6.2625 6.2801 6.6591 6.6607 8.1931 8.2001 9.0125 9.0305 9.1216 9.1380 9.4589 9.4692 9.8568 9.8656 10.1163 10.1196 11.1381 11.1426 11.5177 11.5210 k = 0.5000 0.2887 0.0329 ( 3768 PWs) bands (ev): -9.3433 -9.3433 -8.6902 -8.6902 -7.4672 -7.4669 -5.7074 -5.7070 -5.2711 -5.2706 -4.7974 -4.7972 -3.2237 -3.2226 -2.4005 -2.4000 -1.3808 -1.3794 0.3748 0.3797 0.8594 0.8626 1.8723 1.8740 2.2717 2.2739 2.6944 2.6968 3.1798 3.1852 3.4146 3.4193 4.5459 4.5489 5.1952 5.1981 6.0294 6.0460 6.2233 6.2402 6.6438 6.6449 8.2200 8.2250 9.0482 9.0660 9.1162 9.1313 9.5318 9.5395 9.8051 9.8129 10.1089 10.1114 11.1467 11.1498 11.5216 11.5239 k = 0.5000 0.2887 0.0164 ( 3776 PWs) bands (ev): -9.3460 -9.3460 -8.6924 -8.6924 -7.4659 -7.4658 -5.6814 -5.6812 -5.2845 -5.2842 -4.7943 -4.7941 -3.2208 -3.2203 -2.4045 -2.4043 -1.4015 -1.4008 0.3722 0.3746 0.8634 0.8650 1.8753 1.8761 2.2675 2.2686 2.6962 2.6974 3.1845 3.1874 3.4089 3.4114 4.5486 4.5502 5.2020 5.2035 6.0663 6.0795 6.1898 6.2032 6.6344 6.6350 8.2371 8.2397 9.0746 9.0919 9.1062 9.1215 9.6010 9.6073 9.7511 9.7577 10.1036 10.1050 11.1522 11.1538 11.5242 11.5254 k = 0.5000 0.2887-0.0000 ( 3772 PWs) bands (ev): -9.3469 -9.3469 -8.6931 -8.6931 -7.4655 -7.4655 -5.6720 -5.6720 -5.2896 -5.2896 -4.7930 -4.7930 -3.2198 -3.2198 -2.4056 -2.4056 -1.4083 -1.4083 0.3721 0.3721 0.8653 0.8653 1.8766 1.8766 2.2665 2.2665 2.6972 2.6972 3.1872 3.1872 3.4079 3.4079 4.5501 4.5501 5.2048 5.2048 6.0903 6.0903 6.1791 6.1791 6.6315 6.6315 8.2438 8.2438 9.0930 9.0930 9.1094 9.1094 9.6463 9.6463 9.7173 9.7173 10.1021 10.1021 11.1545 11.1545 11.5255 11.5255 k = 0.3333 0.5774-0.0000 ( 3762 PWs) bands (ev): -8.9466 -8.9466 -8.9465 -8.9464 -7.8781 -7.8781 -5.1826 -5.1826 -5.1823 -5.1821 -4.9456 -4.9456 -3.6221 -3.6221 -1.9832 -1.9832 -1.9820 -1.9799 1.1106 1.1238 1.1238 1.1309 1.7843 1.7843 2.0394 2.0394 2.7835 2.7835 2.7893 2.8032 3.9596 3.9744 3.9775 3.9775 4.8538 4.8538 6.0525 6.0525 6.6810 6.6948 6.6981 6.6981 8.7691 8.7931 8.7931 8.8020 8.9312 8.9312 9.8605 9.8605 9.8667 9.8727 10.1519 10.1519 11.0991 11.0991 11.1082 11.1091 k = 0.3333 0.5774 0.0164 ( 3759 PWs) bands (ev): -8.9481 -8.9479 -8.9435 -8.9433 -7.8780 -7.8780 -5.2365 -5.2360 -5.1333 -5.1329 -4.9517 -4.9516 -3.6149 -3.6147 -2.0366 -2.0341 -1.9247 -1.9225 1.1005 1.1065 1.1423 1.1424 1.7835 1.7836 2.0390 2.0409 2.7533 2.7644 2.8107 2.8251 3.9306 3.9423 4.0069 4.0162 4.8500 4.8536 6.0548 6.0559 6.6552 6.6660 6.7223 6.7320 8.7490 8.7618 8.8070 8.8091 8.9229 8.9243 9.8070 9.8150 9.9134 9.9235 10.1540 10.1573 11.0669 11.0764 11.1394 11.1490 k = 0.3333 0.5774 0.0329 ( 3759 PWs) bands (ev): -8.9480 -8.9478 -8.9387 -8.9385 -7.8778 -7.8777 -5.2942 -5.2937 -5.0891 -5.0887 -4.9694 -4.9694 -3.5935 -3.5931 -2.0840 -2.0814 -1.8614 -1.8594 1.0854 1.0904 1.1613 1.1624 1.7812 1.7812 2.0401 2.0438 2.7206 2.7312 2.8347 2.8495 3.8994 3.9113 4.0487 4.0578 4.8423 4.8496 6.0630 6.0650 6.6254 6.6356 6.7571 6.7673 8.7068 8.7174 8.8036 8.8075 8.8999 8.9025 9.7562 9.7631 9.9624 9.9732 10.1631 10.1695 11.0433 11.0527 11.1875 11.1972 k = 0.3333 0.5774 0.0493 ( 3765 PWs) bands (ev): -8.9462 -8.9460 -8.9322 -8.9320 -7.8774 -7.8773 -5.3552 -5.3548 -5.0505 -5.0502 -4.9977 -4.9976 -3.5592 -3.5586 -2.1251 -2.1224 -1.7941 -1.7922 1.0705 1.0753 1.1825 1.1837 1.7767 1.7770 2.0430 2.0484 2.6858 2.6958 2.8550 2.8704 3.8727 3.8849 4.0930 4.1017 4.8311 4.8417 6.0765 6.0793 6.5973 6.6071 6.7936 6.8041 8.6522 8.6620 8.7824 8.7865 8.8635 8.8670 9.7112 9.7169 10.0048 10.0164 10.1777 10.1869 11.0279 11.0372 11.2428 11.2526 k = 0.3333 0.5774 0.0657 ( 3744 PWs) bands (ev): -8.9428 -8.9427 -8.9240 -8.9238 -7.8770 -7.8769 -5.4190 -5.4185 -5.0347 -5.0346 -5.0182 -5.0179 -3.5136 -3.5128 -2.1593 -2.1564 -1.7234 -1.7216 1.0563 1.0611 1.2052 1.2064 1.7695 1.7702 2.0486 2.0553 2.6496 2.6588 2.8716 2.8874 3.8512 3.8636 4.1391 4.1473 4.8167 4.8304 6.0950 6.0983 6.5710 6.5806 6.8313 6.8420 8.5878 8.5971 8.7417 8.7455 8.8155 8.8196 9.6742 9.6785 10.0391 10.0513 10.1957 10.2073 11.0204 11.0296 11.3046 11.3146 k = 0.3333 0.5774 0.0822 ( 3756 PWs) bands (ev): -8.9379 -8.9378 -8.9141 -8.9139 -7.8766 -7.8765 -5.4850 -5.4845 -5.0786 -5.0785 -4.9924 -4.9922 -3.4586 -3.4577 -2.1863 -2.1832 -1.6498 -1.6482 1.0427 1.0476 1.2293 1.2303 1.7589 1.7604 2.0575 2.0652 2.6123 2.6208 2.8844 2.9006 3.8351 3.8476 4.1863 4.1941 4.7995 4.8161 6.1175 6.1211 6.5466 6.5560 6.8699 6.8809 8.5153 8.5243 8.6816 8.6850 8.7579 8.7621 9.6459 9.6488 10.0642 10.0769 10.2147 10.2284 11.0195 11.0285 11.3721 11.3822 k = 0.3333 0.5774 0.0986 ( 3762 PWs) bands (ev): -8.9315 -8.9314 -8.9026 -8.9024 -7.8763 -7.8761 -5.5527 -5.5523 -5.1275 -5.1274 -4.9737 -4.9735 -3.3960 -3.3950 -2.2057 -2.2024 -1.5739 -1.5724 1.0296 1.0345 1.2546 1.2553 1.7443 1.7468 2.0705 2.0788 2.5746 2.5824 2.8937 2.9100 3.8246 3.8372 4.2341 4.2416 4.7801 4.7992 6.1435 6.1470 6.5242 6.5334 6.9092 6.9203 8.4360 8.4448 8.6044 8.6072 8.6926 8.6968 9.6253 9.6271 10.0800 10.0933 10.2322 10.2474 11.0238 11.0326 11.4442 11.4549 k = 0.3333 0.5774 0.1150 ( 3762 PWs) bands (ev): -8.9237 -8.9235 -8.8894 -8.8891 -7.8761 -7.8759 -5.6216 -5.6212 -5.1799 -5.1798 -4.9621 -4.9620 -3.3274 -3.3262 -2.2175 -2.2141 -1.4962 -1.4947 1.0169 1.0218 1.2807 1.2811 1.7256 1.7293 2.0878 2.0965 2.5371 2.5442 2.8999 2.9162 3.8197 3.8320 4.2821 4.2892 4.7589 4.7802 6.1718 6.1751 6.5037 6.5127 6.9488 6.9601 8.3510 8.3596 8.5130 8.5153 8.6215 8.6252 9.6110 9.6117 10.0872 10.1010 10.2460 10.2623 11.0314 11.0399 11.4604 11.4605 k = 0.3333 0.5774 0.1314 ( 3759 PWs) bands (ev): -8.9144 -8.9143 -8.8745 -8.8743 -7.8762 -7.8759 -5.6914 -5.6909 -5.2343 -5.2342 -4.9576 -4.9576 -3.2542 -3.2529 -2.2217 -2.2182 -1.4171 -1.4158 1.0042 1.0091 1.3072 1.3073 1.7026 1.7077 2.1096 2.1185 2.5004 2.5069 2.9035 2.9195 3.8200 3.8319 4.3299 4.3366 4.7364 4.7595 6.2017 6.2042 6.4850 6.4939 6.9882 6.9997 8.2614 8.2698 8.4104 8.4123 8.5462 8.5493 9.6011 9.6012 10.0868 10.1009 10.2542 10.2711 11.0405 11.0487 11.4249 11.4253 k = 0.3333 0.5774 0.1479 ( 3771 PWs) bands (ev): -8.9038 -8.9037 -8.8580 -8.8578 -7.8768 -7.8765 -5.7615 -5.7611 -5.2895 -5.2895 -4.9602 -4.9602 -3.1775 -3.1761 -2.2187 -2.2150 -1.3372 -1.3360 0.9915 0.9963 1.3335 1.3337 1.6757 1.6821 2.1359 2.1448 2.4655 2.4713 2.9054 2.9209 3.8250 3.8364 4.3769 4.3832 4.7127 4.7374 6.2319 6.2334 6.4680 6.4769 7.0271 7.0387 8.1678 8.1761 8.2996 8.3012 8.4682 8.4704 9.5939 9.5945 10.0798 10.0941 10.2555 10.2727 11.0496 11.0573 11.3980 11.3985 k = 0.3333 0.5774 0.1643 ( 3771 PWs) bands (ev): -8.8919 -8.8918 -8.8399 -8.8396 -7.8779 -7.8776 -5.8317 -5.8313 -5.3446 -5.3446 -4.9695 -4.9695 -3.0983 -3.0968 -2.2088 -2.2051 -1.2568 -1.2558 0.9786 0.9833 1.3588 1.3594 1.6450 1.6528 2.1665 2.1753 2.4332 2.4383 2.9063 2.9211 3.8341 3.8449 4.4228 4.4287 4.6884 4.7143 6.2615 6.2617 6.4528 6.4617 7.0645 7.0764 8.0713 8.0794 8.1836 8.1849 8.3889 8.3900 9.5888 9.5899 10.0673 10.0819 10.2496 10.2665 11.0574 11.0646 11.3801 11.3804 k = 0.3333 0.5774 0.1807 ( 3777 PWs) bands (ev): -8.8789 -8.8788 -8.8202 -8.8199 -7.8798 -7.8794 -5.9015 -5.9011 -5.3987 -5.3986 -4.9852 -4.9851 -3.0174 -3.0158 -2.1927 -2.1889 -1.1765 -1.1755 0.9653 0.9698 1.3825 1.3835 1.6110 1.6201 2.2012 2.2099 2.4045 2.4090 2.9070 2.9211 3.8468 3.8568 4.4672 4.4728 4.6635 4.6904 6.2881 6.2894 6.4390 6.4480 7.0997 7.1118 7.9726 7.9805 8.0649 8.0659 8.3096 8.3097 9.5852 9.5867 10.0506 10.0653 10.2366 10.2530 11.0632 11.0697 11.3706 11.3707 k = 0.3333 0.5774 0.1972 ( 3780 PWs) bands (ev): -8.8648 -8.8647 -8.7989 -8.7987 -7.8826 -7.8822 -5.9706 -5.9702 -5.4510 -5.4509 -5.0066 -5.0065 -2.9355 -2.9337 -2.1711 -2.1672 -1.0966 -1.0957 0.9516 0.9559 1.4035 1.4049 1.5740 1.5844 2.2397 2.2481 2.3806 2.3845 2.9083 2.9215 3.8624 3.8715 4.5098 4.5150 4.6383 4.6658 6.3113 6.3146 6.4265 6.4359 7.1309 7.1434 7.8724 7.8803 7.9465 7.9470 8.2304 8.2319 9.5827 9.5844 10.0304 10.0452 10.2174 10.2331 11.0664 11.0723 11.3681 11.3685 k = 0.3333 0.5774 0.2136 ( 3771 PWs) bands (ev): -8.8497 -8.8496 -8.7762 -8.7759 -7.8865 -7.8861 -6.0386 -6.0383 -5.5010 -5.5009 -5.0332 -5.0330 -2.8532 -2.8513 -2.1447 -2.1408 -1.0173 -1.0166 0.9374 0.9414 1.4207 1.4225 1.5345 1.5461 2.2817 2.2897 2.3630 2.3660 2.9109 2.9231 3.8802 3.8885 4.5504 4.5551 4.6130 4.6409 6.3305 6.3360 6.4152 6.4251 7.1558 7.1687 7.7717 7.7794 7.8317 7.8318 8.1538 8.1569 9.5812 9.5830 10.0078 10.0224 10.1933 10.2081 11.0672 11.0724 11.3714 11.3723 k = 0.3333 0.5774 0.2300 ( 3771 PWs) bands (ev): -8.8338 -8.8337 -8.7519 -8.7516 -7.8917 -7.8913 -6.1054 -6.1051 -5.5481 -5.5479 -5.0642 -5.0640 -2.7709 -2.7690 -2.1145 -2.1106 -0.9392 -0.9386 0.9228 0.9263 1.4326 1.4353 1.4928 1.5059 2.3270 2.3326 2.3545 2.3547 2.9153 2.9264 3.8998 3.9071 4.5854 4.5885 4.5948 4.6155 6.3444 6.3526 6.4047 6.4155 7.1699 7.1834 7.6716 7.6786 7.7255 7.7257 8.0811 8.0857 9.5805 9.5824 9.9833 9.9978 10.1657 10.1794 11.0656 11.0701 11.3789 11.3803 k = 0.3333 0.5774 0.2465 ( 3777 PWs) bands (ev): -8.8172 -8.8171 -8.7263 -8.7260 -7.8985 -7.8980 -6.1705 -6.1702 -5.5918 -5.5916 -5.0990 -5.0988 -2.6893 -2.6873 -2.0815 -2.0775 -0.8626 -0.8620 0.9078 0.9108 1.4367 1.4421 1.4494 1.4657 2.3470 2.3515 2.3751 2.3854 2.9218 2.9319 3.9205 3.9270 4.5613 4.5899 4.6239 4.6282 6.3524 6.3636 6.3950 6.4070 7.1657 7.1800 7.5732 7.5789 7.6362 7.6364 8.0134 8.0196 9.5807 9.5826 9.9578 9.9720 10.1359 10.1486 11.0618 11.0656 11.3893 11.3910 k = 0.3333 0.5774 0.2629 ( 3777 PWs) bands (ev): -8.8000 -8.7999 -8.6993 -8.6990 -7.9069 -7.9064 -6.2336 -6.2333 -5.6317 -5.6315 -5.1370 -5.1367 -2.6087 -2.6066 -2.0465 -2.0426 -0.7877 -0.7872 0.8926 0.8950 1.4045 1.4140 1.4424 1.4443 2.3538 2.3570 2.4258 2.4351 2.9308 2.9397 3.9421 3.9476 4.5357 4.5640 4.6563 4.6602 6.3538 6.3681 6.3857 6.3990 7.1340 7.1488 7.4771 7.4810 7.5738 7.5748 7.9519 7.9595 9.5821 9.5839 9.9317 9.9456 10.1050 10.1167 11.0563 11.0595 11.4013 11.4034 k = 0.3333 0.5774 0.2793 ( 3777 PWs) bands (ev): -8.7824 -8.7824 -8.6710 -8.6707 -7.9171 -7.9166 -6.2945 -6.2942 -5.6674 -5.6672 -5.1775 -5.1772 -2.5296 -2.5274 -2.0104 -2.0066 -0.7149 -0.7145 0.8774 0.8792 1.3587 1.3708 1.4357 1.4361 2.3684 2.3711 2.4787 2.4877 2.9422 2.9500 3.9640 3.9686 4.5100 4.5378 4.6856 4.6889 6.3490 6.3659 6.3765 6.3909 7.0718 7.0868 7.3834 7.3860 7.5427 7.5446 7.8974 7.9063 9.5847 9.5864 9.9058 9.9191 10.0739 10.0847 11.0494 11.0520 11.4142 11.4166 k = 0.3333 0.5774 0.2958 ( 3765 PWs) bands (ev): -8.7647 -8.7646 -8.6415 -8.6411 -7.9293 -7.9288 -6.3527 -6.3525 -5.6987 -5.6984 -5.2198 -5.2195 -2.4523 -2.4501 -1.9743 -1.9706 -0.6446 -0.6443 0.8626 0.8637 1.3122 1.3253 1.4225 1.4235 2.3909 2.3933 2.5333 2.5421 2.9560 2.9626 3.9860 3.9898 4.4843 4.5115 4.7114 4.7144 6.3382 6.3569 6.3673 6.3819 6.9868 7.0018 7.2933 7.2946 7.5359 7.5385 7.8503 7.8603 9.5888 9.5903 9.8803 9.8931 10.0434 10.0532 11.0416 11.0436 11.4274 11.4300 k = 0.3333 0.5774 0.3122 ( 3765 PWs) bands (ev): -8.7470 -8.7469 -8.6108 -8.6105 -7.9437 -7.9431 -6.4081 -6.4079 -5.7252 -5.7249 -5.2634 -5.2631 -2.3774 -2.3751 -1.9390 -1.9355 -0.5770 -0.5768 0.8485 0.8487 1.2655 1.2791 1.4043 1.4054 2.4203 2.4223 2.5892 2.5978 2.9719 2.9774 4.0077 4.0107 4.4585 4.4849 4.7337 4.7362 6.3217 6.3413 6.3577 6.3720 6.8901 6.9052 7.2078 7.2080 7.5430 7.5459 7.8109 7.8216 9.5943 9.5956 9.8558 9.8679 10.0138 10.0227 11.0330 11.0346 11.4409 11.4436 k = 0.3333 0.5774 0.3286 ( 3774 PWs) bands (ev): -8.7295 -8.7294 -8.5791 -8.5788 -7.9602 -7.9596 -6.4602 -6.4600 -5.7468 -5.7465 -5.3077 -5.3074 -2.3050 -2.3028 -1.9054 -1.9021 -0.5127 -0.5125 0.8348 0.8354 1.2190 1.2328 1.3819 1.3831 2.4551 2.4569 2.6457 2.6541 2.9895 2.9939 4.0290 4.0311 4.4328 4.4581 4.7524 4.7545 6.3000 6.3202 6.3475 6.3613 6.7894 6.8048 7.1272 7.1279 7.5567 7.5597 7.7788 7.7900 9.6015 9.6026 9.8327 9.8439 9.9853 9.9935 11.0241 11.0253 11.4545 11.4574 k = 0.3333 0.5774 0.3451 ( 3777 PWs) bands (ev): -8.7125 -8.7125 -8.5465 -8.5461 -7.9789 -7.9783 -6.5088 -6.5086 -5.7634 -5.7631 -5.3523 -5.3520 -2.2358 -2.2336 -1.8743 -1.8713 -0.4518 -0.4517 0.8224 0.8240 1.1730 1.1869 1.3565 1.3577 2.4937 2.4954 2.7023 2.7104 3.0081 3.0115 4.0495 4.0510 4.4072 4.4313 4.7674 4.7691 6.2740 6.2947 6.3366 6.3500 6.6894 6.7053 7.0530 7.0547 7.5732 7.5760 7.7535 7.7648 9.6105 9.6113 9.8112 9.8215 9.9582 9.9657 11.0151 11.0160 11.4687 11.4717 k = 0.3333 0.5774 0.3615 ( 3774 PWs) bands (ev): -8.6963 -8.6962 -8.5130 -8.5126 -7.9998 -7.9992 -6.5535 -6.5533 -5.7750 -5.7746 -5.3967 -5.3963 -2.1699 -2.1678 -1.8465 -1.8438 -0.3949 -0.3949 0.8120 0.8146 1.1279 1.1419 1.3293 1.3306 2.5345 2.5360 2.7581 2.7660 3.0271 3.0297 4.0693 4.0702 4.3818 4.4044 4.7789 4.7801 6.2452 6.2664 6.3249 6.3380 6.5932 6.6098 6.9864 6.9890 7.5904 7.5928 7.7341 7.7452 9.6211 9.6217 9.7915 9.8010 9.9324 9.9392 11.0064 11.0070 11.4838 11.4869 k = 0.3333 0.5774 0.3779 ( 3774 PWs) bands (ev): -8.6811 -8.6810 -8.4789 -8.4785 -8.0228 -8.0223 -6.5939 -6.5938 -5.7814 -5.7810 -5.4404 -5.4400 -2.1079 -2.1058 -1.8227 -1.8204 -0.3426 -0.3425 0.8041 0.8077 1.0842 1.0980 1.3017 1.3028 2.5758 2.5771 2.8126 2.8201 3.0457 3.0476 4.0881 4.0886 4.3567 4.3776 4.7870 4.7879 6.2155 6.2370 6.3126 6.3253 6.5029 6.5202 6.9280 6.9313 7.6069 7.6088 7.7196 7.7303 9.6335 9.6338 9.7740 9.7824 9.9077 9.9138 10.9980 10.9984 11.5002 11.5035 k = 0.3333 0.5774 0.3943 ( 3774 PWs) bands (ev): -8.6672 -8.6671 -8.4441 -8.4437 -8.0480 -8.0474 -6.6298 -6.6297 -5.7828 -5.7824 -5.4829 -5.4826 -2.0502 -2.0482 -1.8037 -1.8017 -0.2953 -0.2953 0.7992 0.8037 1.0423 1.0559 1.2747 1.2757 2.6159 2.6170 2.8646 2.8717 3.0629 3.0642 4.1059 4.1062 4.3321 4.3512 4.7922 4.7928 6.1867 6.2085 6.3000 6.3121 6.4200 6.4379 6.8782 6.8820 7.6224 7.6236 7.7090 7.7191 9.6474 9.6474 9.7586 9.7660 9.8841 9.8896 10.9903 10.9906 11.5185 11.5219 k = 0.3333 0.5774 0.4108 ( 3780 PWs) bands (ev): -8.6548 -8.6548 -8.4090 -8.4085 -8.0750 -8.0745 -6.6608 -6.6607 -5.7793 -5.7789 -5.5241 -5.5237 -1.9970 -1.9952 -1.7899 -1.7884 -0.2536 -0.2536 0.7976 0.8032 1.0025 1.0158 1.2495 1.2503 2.6531 2.6541 2.9135 2.9199 3.0775 3.0785 4.1229 4.1233 4.3081 4.3253 4.7948 4.7952 6.1606 6.1827 6.2872 6.2988 6.3461 6.3643 6.8372 6.8411 7.6363 7.6368 7.7013 7.7105 9.6626 9.6629 9.7456 9.7519 9.8612 9.8661 10.9835 10.9836 11.5392 11.5427 k = 0.3333 0.5774 0.4272 ( 3792 PWs) bands (ev): -8.6443 -8.6443 -8.3735 -8.3731 -8.1039 -8.1033 -6.6867 -6.6866 -5.7711 -5.7707 -5.5633 -5.5629 -1.9490 -1.9473 -1.7820 -1.7808 -0.2183 -0.2183 0.7997 0.8064 0.9654 0.9782 1.2270 1.2277 2.6861 2.6869 2.9580 2.9638 3.0886 3.0894 4.1393 4.1400 4.2851 4.3001 4.7955 4.7958 6.1391 6.1614 6.2709 6.2861 6.2864 6.3003 6.8048 6.8084 7.6483 7.6486 7.6957 7.7039 9.6790 9.6797 9.7350 9.7401 9.8391 9.8434 10.9776 10.9776 11.5624 11.5662 k = 0.3333 0.5774 0.4436 ( 3792 PWs) bands (ev): -8.6358 -8.6358 -8.3380 -8.3376 -8.1343 -8.1337 -6.7071 -6.7070 -5.7583 -5.7579 -5.6004 -5.6000 -1.9063 -1.9049 -1.7801 -1.7794 -0.1899 -0.1899 0.8059 0.8136 0.9313 0.9435 1.2084 1.2090 2.7134 2.7141 2.9975 3.0025 3.0951 3.0960 4.1553 4.1567 4.2631 4.2760 4.7951 4.7952 6.1237 6.1461 6.2245 6.2466 6.2688 6.2748 6.7805 6.7835 7.6580 7.6593 7.6912 7.6984 9.6966 9.6976 9.7268 9.7310 9.8174 9.8212 10.9728 10.9729 11.5887 11.5929 k = 0.3333 0.5774 0.4601 ( 3792 PWs) bands (ev): -8.6296 -8.6296 -8.3026 -8.3021 -8.1660 -8.1655 -6.7218 -6.7218 -5.7412 -5.7408 -5.6349 -5.6345 -1.8693 -1.8682 -1.7847 -1.7843 -0.1692 -0.1691 0.8162 0.8249 0.9005 0.9121 1.1945 1.1949 2.7339 2.7343 3.0310 3.0352 3.0959 3.0972 4.1713 4.1737 4.2424 4.2531 4.7942 4.7943 6.1159 6.1382 6.1815 6.2037 6.2612 6.2657 6.7639 6.7660 7.6660 7.6684 7.6873 7.6933 9.7151 9.7155 9.7211 9.7251 9.7963 9.7995 10.9694 10.9694 11.6181 11.6227 k = 0.3333 0.5774 0.4765 ( 3786 PWs) bands (ev): -8.6259 -8.6259 -8.2675 -8.2670 -8.1990 -8.1985 -6.7307 -6.7307 -5.7200 -5.7196 -5.6666 -5.6662 -1.8385 -1.8377 -1.7958 -1.7958 -0.1564 -0.1564 0.8307 0.8405 0.8736 0.8843 1.1859 1.1861 2.7466 2.7469 3.0578 3.0612 3.0903 3.0921 4.1876 4.1912 4.2229 4.2319 4.7934 4.7934 6.1170 6.1390 6.1493 6.1720 6.2571 6.2594 6.7544 6.7555 7.6724 7.6760 7.6835 7.6882 9.7179 9.7187 9.7343 9.7373 9.7757 9.7782 10.9673 10.9673 11.6500 11.6559 k = 0.3333 0.5774 0.4929 ( 3792 PWs) bands (ev): -8.6246 -8.6246 -8.2332 -8.2326 -8.2324 -8.2324 -6.7337 -6.7337 -5.6950 -5.6950 -5.6950 -5.6942 -1.8140 -1.8139 -1.8139 -1.8129 -0.1522 -0.1522 0.8460 0.8542 0.8604 0.8604 1.1830 1.1830 2.7510 2.7510 3.0767 3.0786 3.0802 3.0802 4.2047 4.2047 4.2053 4.2164 4.7931 4.7931 6.1279 6.1279 6.1459 6.1546 6.2565 6.2565 6.7516 6.7516 7.6761 7.6808 7.6825 7.6825 9.7172 9.7172 9.7503 9.7574 9.7574 9.7591 10.9665 10.9665 11.6755 11.6923 Writing output data file CS2.save init_run : 1.06s CPU 0.63s WALL ( 1 calls) electrons : 338.34s CPU 238.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.16s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 338.33s CPU 238.85s 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 : 0.34s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.30s CPU 0.39s WALL ( 293 calls) cegterg : 295.41s CPU 214.48s WALL ( 430 calls) Called by sum_band: Called by *egterg: h_psi : 207.92s CPU 131.15s WALL ( 7576 calls) s_psi : 16.46s CPU 11.22s WALL ( 7576 calls) g_psi : 0.28s CPU 0.24s WALL ( 6853 calls) cdiaghg : 80.55s CPU 70.03s WALL ( 7146 calls) cegterg:over : 9.51s CPU 7.54s WALL ( 6853 calls) cegterg:upda : 7.96s CPU 6.57s WALL ( 6853 calls) cegterg:last : 3.90s CPU 3.48s WALL ( 1242 calls) cdiaghg:chol : 4.68s CPU 4.02s WALL ( 7146 calls) cdiaghg:inve : 3.01s CPU 2.66s WALL ( 7146 calls) cdiaghg:para : 5.00s CPU 4.40s WALL ( 14292 calls) Called by h_psi: h_psi:vloc : 172.24s CPU 105.76s WALL ( 7576 calls) h_psi:vnl : 35.38s CPU 25.14s WALL ( 7576 calls) add_vuspsi : 21.35s CPU 14.75s WALL ( 7576 calls) General routines calbec : 13.99s CPU 10.36s WALL ( 7576 calls) fft : 0.12s CPU 0.06s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 162.85s CPU 98.87s WALL ( 860344 calls) interpolate : 0.03s CPU 0.01s WALL ( 4 calls) davcio : 0.41s CPU 0.78s WALL ( 586 calls) Parallel routines fft_scatter : 55.15s CPU 38.35s WALL ( 860367 calls) PWSCF : 5m54.51s CPU 4m26.38s WALL This run was terminated on: 15:47: 5 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=