Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 5:44:13 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./K2S.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 32 19 5 1744 779 117 Max 33 20 6 1751 804 126 Sum 2347 1381 385 125847 56905 8601 bravais-lattice index = 14 lattice parameter (alat) = 11.0568 a.u. unit-cell volume = 1606.5819 (a.u.)^3 number of atoms/cell = 6 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 = 278.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.056787 celldm(2)= 1.000000 celldm(3)= 1.372415 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 1.372415 ) 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 0.728643 ) 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 K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) K 9.00 39.09830 K( 1.00) 12 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 239 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 2) = ( 0.0161290 0.0093121 -0.0000000), wk = 0.0041841 k( 3) = ( 0.0322581 0.0186242 -0.0000000), wk = 0.0041841 k( 4) = ( 0.0483871 0.0279363 -0.0000000), wk = 0.0041841 k( 5) = ( 0.0645161 0.0372484 -0.0000000), wk = 0.0041841 k( 6) = ( 0.0806452 0.0465605 -0.0000000), wk = 0.0041841 k( 7) = ( 0.0967742 0.0558726 -0.0000000), wk = 0.0041841 k( 8) = ( 0.1129032 0.0651847 -0.0000000), wk = 0.0041841 k( 9) = ( 0.1290323 0.0744968 -0.0000000), wk = 0.0041841 k( 10) = ( 0.1451613 0.0838089 -0.0000000), wk = 0.0041841 k( 11) = ( 0.1612903 0.0931210 -0.0000000), wk = 0.0041841 k( 12) = ( 0.1774194 0.1024331 -0.0000000), wk = 0.0041841 k( 13) = ( 0.1935484 0.1117452 -0.0000000), wk = 0.0041841 k( 14) = ( 0.2096774 0.1210573 -0.0000000), wk = 0.0041841 k( 15) = ( 0.2258064 0.1303694 -0.0000000), wk = 0.0041841 k( 16) = ( 0.2419355 0.1396815 -0.0000000), wk = 0.0041841 k( 17) = ( 0.2580645 0.1489936 -0.0000000), wk = 0.0041841 k( 18) = ( 0.2741936 0.1583057 -0.0000000), wk = 0.0041841 k( 19) = ( 0.2903226 0.1676178 -0.0000000), wk = 0.0041841 k( 20) = ( 0.3064516 0.1769299 -0.0000000), wk = 0.0041841 k( 21) = ( 0.3225807 0.1862420 -0.0000000), wk = 0.0041841 k( 22) = ( 0.3387097 0.1955541 -0.0000000), wk = 0.0041841 k( 23) = ( 0.3548387 0.2048662 -0.0000000), wk = 0.0041841 k( 24) = ( 0.3709677 0.2141783 -0.0000000), wk = 0.0041841 k( 25) = ( 0.3870968 0.2234904 -0.0000000), wk = 0.0041841 k( 26) = ( 0.4032258 0.2328025 -0.0000000), wk = 0.0041841 k( 27) = ( 0.4193548 0.2421146 -0.0000000), wk = 0.0041841 k( 28) = ( 0.4354839 0.2514267 -0.0000000), wk = 0.0041841 k( 29) = ( 0.4516129 0.2607388 -0.0000000), wk = 0.0041841 k( 30) = ( 0.4677419 0.2700509 -0.0000000), wk = 0.0041841 k( 31) = ( 0.4838710 0.2793630 -0.0000000), wk = 0.0041841 k( 32) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0041841 k( 33) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0041841 k( 34) = ( 0.4907407 0.3047126 -0.0000000), wk = 0.0041841 k( 35) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0041841 k( 36) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0041841 k( 37) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0041841 k( 38) = ( 0.4537037 0.3688627 -0.0000000), wk = 0.0041841 k( 39) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0041841 k( 40) = ( 0.4351852 0.4009377 -0.0000000), wk = 0.0041841 k( 41) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0041841 k( 42) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0041841 k( 43) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0041841 k( 44) = ( 0.3981481 0.4650877 -0.0000000), wk = 0.0041841 k( 45) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0041841 k( 46) = ( 0.3796296 0.4971627 -0.0000000), wk = 0.0041841 k( 47) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0041841 k( 48) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0041841 k( 49) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0041841 k( 50) = ( 0.3425926 0.5613128 -0.0000000), wk = 0.0041841 k( 51) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0041841 k( 52) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0041841 k( 53) = ( 0.3240741 0.5613128 -0.0000000), wk = 0.0041841 k( 54) = ( 0.3148148 0.5452752 -0.0000000), wk = 0.0041841 k( 55) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0041841 k( 56) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0041841 k( 57) = ( 0.2870370 0.4971627 -0.0000000), wk = 0.0041841 k( 58) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0041841 k( 59) = ( 0.2685185 0.4650877 -0.0000000), wk = 0.0041841 k( 60) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0041841 k( 61) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0041841 k( 62) = ( 0.2407407 0.4169752 -0.0000000), wk = 0.0041841 k( 63) = ( 0.2314815 0.4009377 -0.0000000), wk = 0.0041841 k( 64) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0041841 k( 65) = ( 0.2129630 0.3688627 -0.0000000), wk = 0.0041841 k( 66) = ( 0.2037037 0.3528252 -0.0000000), wk = 0.0041841 k( 67) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0041841 k( 68) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0041841 k( 69) = ( 0.1759259 0.3047126 -0.0000000), wk = 0.0041841 k( 70) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0041841 k( 71) = ( 0.1574074 0.2726376 -0.0000000), wk = 0.0041841 k( 72) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0041841 k( 73) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0041841 k( 74) = ( 0.1296296 0.2245251 -0.0000000), wk = 0.0041841 k( 75) = ( 0.1203704 0.2084876 -0.0000000), wk = 0.0041841 k( 76) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0041841 k( 77) = ( 0.1018518 0.1764126 -0.0000000), wk = 0.0041841 k( 78) = ( 0.0925926 0.1603751 -0.0000000), wk = 0.0041841 k( 79) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0041841 k( 80) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0041841 k( 81) = ( 0.0648148 0.1122625 -0.0000000), wk = 0.0041841 k( 82) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0041841 k( 83) = ( 0.0462963 0.0801875 -0.0000000), wk = 0.0041841 k( 84) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0041841 k( 85) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0041841 k( 86) = ( 0.0185185 0.0320750 -0.0000000), wk = 0.0041841 k( 87) = ( 0.0092593 0.0160375 -0.0000000), wk = 0.0041841 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 90) = ( 0.0000000 0.0000000 0.0182161), wk = 0.0041841 k( 91) = ( 0.0000000 0.0000000 0.0364321), wk = 0.0041841 k( 92) = ( 0.0000000 0.0000000 0.0546482), wk = 0.0041841 k( 93) = ( 0.0000000 0.0000000 0.0728643), wk = 0.0041841 k( 94) = ( 0.0000000 0.0000000 0.0910803), wk = 0.0041841 k( 95) = ( 0.0000000 0.0000000 0.1092964), wk = 0.0041841 k( 96) = ( 0.0000000 0.0000000 0.1275125), wk = 0.0041841 k( 97) = ( 0.0000000 0.0000000 0.1457285), wk = 0.0041841 k( 98) = ( 0.0000000 0.0000000 0.1639446), wk = 0.0041841 k( 99) = ( 0.0000000 0.0000000 0.1821606), wk = 0.0041841 k( 100) = ( 0.0000000 0.0000000 0.2003767), wk = 0.0041841 k( 101) = ( 0.0000000 0.0000000 0.2185928), wk = 0.0041841 k( 102) = ( 0.0000000 0.0000000 0.2368088), wk = 0.0041841 k( 103) = ( 0.0000000 0.0000000 0.2550249), wk = 0.0041841 k( 104) = ( 0.0000000 0.0000000 0.2732410), wk = 0.0041841 k( 105) = ( 0.0000000 0.0000000 0.2914570), wk = 0.0041841 k( 106) = ( 0.0000000 0.0000000 0.3096731), wk = 0.0041841 k( 107) = ( 0.0000000 0.0000000 0.3278892), wk = 0.0041841 k( 108) = ( 0.0000000 0.0000000 0.3461052), wk = 0.0041841 k( 109) = ( 0.0000000 0.0000000 0.3643213), wk = 0.0041841 k( 110) = ( 0.0000000 0.0000000 0.3643213), wk = 0.0041841 k( 111) = ( 0.0161290 0.0093121 0.3643213), wk = 0.0041841 k( 112) = ( 0.0322581 0.0186242 0.3643213), wk = 0.0041841 k( 113) = ( 0.0483871 0.0279363 0.3643213), wk = 0.0041841 k( 114) = ( 0.0645161 0.0372484 0.3643213), wk = 0.0041841 k( 115) = ( 0.0806452 0.0465605 0.3643213), wk = 0.0041841 k( 116) = ( 0.0967742 0.0558726 0.3643213), wk = 0.0041841 k( 117) = ( 0.1129032 0.0651847 0.3643213), wk = 0.0041841 k( 118) = ( 0.1290323 0.0744968 0.3643213), wk = 0.0041841 k( 119) = ( 0.1451613 0.0838089 0.3643213), wk = 0.0041841 k( 120) = ( 0.1612903 0.0931210 0.3643213), wk = 0.0041841 k( 121) = ( 0.1774194 0.1024331 0.3643213), wk = 0.0041841 k( 122) = ( 0.1935484 0.1117452 0.3643213), wk = 0.0041841 k( 123) = ( 0.2096774 0.1210573 0.3643213), wk = 0.0041841 k( 124) = ( 0.2258064 0.1303694 0.3643213), wk = 0.0041841 k( 125) = ( 0.2419355 0.1396815 0.3643213), wk = 0.0041841 k( 126) = ( 0.2580645 0.1489936 0.3643213), wk = 0.0041841 k( 127) = ( 0.2741936 0.1583057 0.3643213), wk = 0.0041841 k( 128) = ( 0.2903226 0.1676178 0.3643213), wk = 0.0041841 k( 129) = ( 0.3064516 0.1769299 0.3643213), wk = 0.0041841 k( 130) = ( 0.3225807 0.1862420 0.3643213), wk = 0.0041841 k( 131) = ( 0.3387097 0.1955541 0.3643213), wk = 0.0041841 k( 132) = ( 0.3548387 0.2048662 0.3643213), wk = 0.0041841 k( 133) = ( 0.3709677 0.2141783 0.3643213), wk = 0.0041841 k( 134) = ( 0.3870968 0.2234904 0.3643213), wk = 0.0041841 k( 135) = ( 0.4032258 0.2328025 0.3643213), wk = 0.0041841 k( 136) = ( 0.4193548 0.2421146 0.3643213), wk = 0.0041841 k( 137) = ( 0.4354839 0.2514267 0.3643213), wk = 0.0041841 k( 138) = ( 0.4516129 0.2607388 0.3643213), wk = 0.0041841 k( 139) = ( 0.4677419 0.2700509 0.3643213), wk = 0.0041841 k( 140) = ( 0.4838710 0.2793630 0.3643213), wk = 0.0041841 k( 141) = ( 0.5000000 0.2886751 0.3643213), wk = 0.0041841 k( 142) = ( 0.5000000 0.2886751 0.3643213), wk = 0.0041841 k( 143) = ( 0.4907407 0.3047126 0.3643213), wk = 0.0041841 k( 144) = ( 0.4814815 0.3207502 0.3643213), wk = 0.0041841 k( 145) = ( 0.4722222 0.3367877 0.3643213), wk = 0.0041841 k( 146) = ( 0.4629630 0.3528252 0.3643213), wk = 0.0041841 k( 147) = ( 0.4537037 0.3688627 0.3643213), wk = 0.0041841 k( 148) = ( 0.4444444 0.3849002 0.3643213), wk = 0.0041841 k( 149) = ( 0.4351852 0.4009377 0.3643213), wk = 0.0041841 k( 150) = ( 0.4259259 0.4169752 0.3643213), wk = 0.0041841 k( 151) = ( 0.4166667 0.4330127 0.3643213), wk = 0.0041841 k( 152) = ( 0.4074074 0.4490502 0.3643213), wk = 0.0041841 k( 153) = ( 0.3981481 0.4650877 0.3643213), wk = 0.0041841 k( 154) = ( 0.3888889 0.4811252 0.3643213), wk = 0.0041841 k( 155) = ( 0.3796296 0.4971627 0.3643213), wk = 0.0041841 k( 156) = ( 0.3703704 0.5132002 0.3643213), wk = 0.0041841 k( 157) = ( 0.3611111 0.5292377 0.3643213), wk = 0.0041841 k( 158) = ( 0.3518519 0.5452753 0.3643213), wk = 0.0041841 k( 159) = ( 0.3425926 0.5613128 0.3643213), wk = 0.0041841 k( 160) = ( 0.3333333 0.5773503 0.3643213), wk = 0.0041841 k( 161) = ( 0.3333333 0.5773503 0.3643213), wk = 0.0041841 k( 162) = ( 0.3240741 0.5613128 0.3643213), wk = 0.0041841 k( 163) = ( 0.3148148 0.5452752 0.3643213), wk = 0.0041841 k( 164) = ( 0.3055556 0.5292378 0.3643213), wk = 0.0041841 k( 165) = ( 0.2962963 0.5132002 0.3643213), wk = 0.0041841 k( 166) = ( 0.2870370 0.4971627 0.3643213), wk = 0.0041841 k( 167) = ( 0.2777778 0.4811252 0.3643213), wk = 0.0041841 k( 168) = ( 0.2685185 0.4650877 0.3643213), wk = 0.0041841 k( 169) = ( 0.2592593 0.4490502 0.3643213), wk = 0.0041841 k( 170) = ( 0.2500000 0.4330127 0.3643213), wk = 0.0041841 k( 171) = ( 0.2407407 0.4169752 0.3643213), wk = 0.0041841 k( 172) = ( 0.2314815 0.4009377 0.3643213), wk = 0.0041841 k( 173) = ( 0.2222222 0.3849002 0.3643213), wk = 0.0041841 k( 174) = ( 0.2129630 0.3688627 0.3643213), wk = 0.0041841 k( 175) = ( 0.2037037 0.3528252 0.3643213), wk = 0.0041841 k( 176) = ( 0.1944444 0.3367876 0.3643213), wk = 0.0041841 k( 177) = ( 0.1851852 0.3207502 0.3643213), wk = 0.0041841 k( 178) = ( 0.1759259 0.3047126 0.3643213), wk = 0.0041841 k( 179) = ( 0.1666667 0.2886751 0.3643213), wk = 0.0041841 k( 180) = ( 0.1574074 0.2726376 0.3643213), wk = 0.0041841 k( 181) = ( 0.1481482 0.2566001 0.3643213), wk = 0.0041841 k( 182) = ( 0.1388889 0.2405626 0.3643213), wk = 0.0041841 k( 183) = ( 0.1296296 0.2245251 0.3643213), wk = 0.0041841 k( 184) = ( 0.1203704 0.2084876 0.3643213), wk = 0.0041841 k( 185) = ( 0.1111111 0.1924501 0.3643213), wk = 0.0041841 k( 186) = ( 0.1018518 0.1764126 0.3643213), wk = 0.0041841 k( 187) = ( 0.0925926 0.1603751 0.3643213), wk = 0.0041841 k( 188) = ( 0.0833333 0.1443376 0.3643213), wk = 0.0041841 k( 189) = ( 0.0740741 0.1283001 0.3643213), wk = 0.0041841 k( 190) = ( 0.0648148 0.1122625 0.3643213), wk = 0.0041841 k( 191) = ( 0.0555556 0.0962251 0.3643213), wk = 0.0041841 k( 192) = ( 0.0462963 0.0801875 0.3643213), wk = 0.0041841 k( 193) = ( 0.0370370 0.0641500 0.3643213), wk = 0.0041841 k( 194) = ( 0.0277778 0.0481125 0.3643213), wk = 0.0041841 k( 195) = ( 0.0185185 0.0320750 0.3643213), wk = 0.0041841 k( 196) = ( 0.0092593 0.0160375 0.3643213), wk = 0.0041841 k( 197) = ( 0.0000000 0.0000000 0.3643213), wk = 0.0041841 k( 198) = ( 0.5000000 0.2886751 0.3643213), wk = 0.0041841 k( 199) = ( 0.5000000 0.2886751 0.3461052), wk = 0.0041841 k( 200) = ( 0.5000000 0.2886751 0.3278892), wk = 0.0041841 k( 201) = ( 0.5000000 0.2886751 0.3096731), wk = 0.0041841 k( 202) = ( 0.5000000 0.2886751 0.2914570), wk = 0.0041841 k( 203) = ( 0.5000000 0.2886751 0.2732410), wk = 0.0041841 k( 204) = ( 0.5000000 0.2886751 0.2550249), wk = 0.0041841 k( 205) = ( 0.5000000 0.2886751 0.2368088), wk = 0.0041841 k( 206) = ( 0.5000000 0.2886751 0.2185928), wk = 0.0041841 k( 207) = ( 0.5000000 0.2886751 0.2003767), wk = 0.0041841 k( 208) = ( 0.5000000 0.2886751 0.1821606), wk = 0.0041841 k( 209) = ( 0.5000000 0.2886751 0.1639446), wk = 0.0041841 k( 210) = ( 0.5000000 0.2886751 0.1457285), wk = 0.0041841 k( 211) = ( 0.5000000 0.2886751 0.1275125), wk = 0.0041841 k( 212) = ( 0.5000000 0.2886751 0.1092964), wk = 0.0041841 k( 213) = ( 0.5000000 0.2886751 0.0910803), wk = 0.0041841 k( 214) = ( 0.5000000 0.2886751 0.0728643), wk = 0.0041841 k( 215) = ( 0.5000000 0.2886751 0.0546482), wk = 0.0041841 k( 216) = ( 0.5000000 0.2886751 0.0364321), wk = 0.0041841 k( 217) = ( 0.5000000 0.2886751 0.0182161), wk = 0.0041841 k( 218) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0041841 k( 219) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0041841 k( 220) = ( 0.3333333 0.5773503 0.0182161), wk = 0.0041841 k( 221) = ( 0.3333333 0.5773503 0.0364321), wk = 0.0041841 k( 222) = ( 0.3333333 0.5773503 0.0546482), wk = 0.0041841 k( 223) = ( 0.3333333 0.5773503 0.0728643), wk = 0.0041841 k( 224) = ( 0.3333333 0.5773503 0.0910803), wk = 0.0041841 k( 225) = ( 0.3333333 0.5773503 0.1092964), wk = 0.0041841 k( 226) = ( 0.3333333 0.5773503 0.1275125), wk = 0.0041841 k( 227) = ( 0.3333333 0.5773503 0.1457285), wk = 0.0041841 k( 228) = ( 0.3333333 0.5773503 0.1639446), wk = 0.0041841 k( 229) = ( 0.3333333 0.5773503 0.1821606), wk = 0.0041841 k( 230) = ( 0.3333333 0.5773503 0.2003767), wk = 0.0041841 k( 231) = ( 0.3333333 0.5773503 0.2185928), wk = 0.0041841 k( 232) = ( 0.3333333 0.5773503 0.2368088), wk = 0.0041841 k( 233) = ( 0.3333333 0.5773503 0.2550249), wk = 0.0041841 k( 234) = ( 0.3333333 0.5773503 0.2732410), wk = 0.0041841 k( 235) = ( 0.3333333 0.5773503 0.2914570), wk = 0.0041841 k( 236) = ( 0.3333333 0.5773503 0.3096731), wk = 0.0041841 k( 237) = ( 0.3333333 0.5773503 0.3278892), wk = 0.0041841 k( 238) = ( 0.3333333 0.5773503 0.3461052), wk = 0.0041841 k( 239) = ( 0.3333333 0.5773503 0.3643213), wk = 0.0041841 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 2) = ( 0.0161290 -0.0000000 0.0000000), wk = 0.0041841 k( 3) = ( 0.0322581 -0.0000000 0.0000000), wk = 0.0041841 k( 4) = ( 0.0483871 -0.0000000 0.0000000), wk = 0.0041841 k( 5) = ( 0.0645161 -0.0000000 0.0000000), wk = 0.0041841 k( 6) = ( 0.0806452 -0.0000000 0.0000000), wk = 0.0041841 k( 7) = ( 0.0967742 -0.0000000 0.0000000), wk = 0.0041841 k( 8) = ( 0.1129032 -0.0000000 0.0000000), wk = 0.0041841 k( 9) = ( 0.1290323 -0.0000000 0.0000000), wk = 0.0041841 k( 10) = ( 0.1451613 -0.0000000 -0.0000000), wk = 0.0041841 k( 11) = ( 0.1612903 -0.0000000 0.0000000), wk = 0.0041841 k( 12) = ( 0.1774194 -0.0000000 0.0000000), wk = 0.0041841 k( 13) = ( 0.1935484 -0.0000000 -0.0000000), wk = 0.0041841 k( 14) = ( 0.2096774 -0.0000000 -0.0000000), wk = 0.0041841 k( 15) = ( 0.2258064 -0.0000000 -0.0000000), wk = 0.0041841 k( 16) = ( 0.2419355 -0.0000000 0.0000000), wk = 0.0041841 k( 17) = ( 0.2580645 -0.0000000 0.0000000), wk = 0.0041841 k( 18) = ( 0.2741936 -0.0000000 0.0000000), wk = 0.0041841 k( 19) = ( 0.2903226 -0.0000000 -0.0000000), wk = 0.0041841 k( 20) = ( 0.3064516 -0.0000000 0.0000000), wk = 0.0041841 k( 21) = ( 0.3225807 -0.0000000 0.0000000), wk = 0.0041841 k( 22) = ( 0.3387097 -0.0000000 0.0000000), wk = 0.0041841 k( 23) = ( 0.3548387 -0.0000000 -0.0000000), wk = 0.0041841 k( 24) = ( 0.3709677 -0.0000000 0.0000000), wk = 0.0041841 k( 25) = ( 0.3870968 -0.0000000 0.0000000), wk = 0.0041841 k( 26) = ( 0.4032258 -0.0000000 0.0000000), wk = 0.0041841 k( 27) = ( 0.4193548 -0.0000000 -0.0000000), wk = 0.0041841 k( 28) = ( 0.4354839 -0.0000000 0.0000000), wk = 0.0041841 k( 29) = ( 0.4516129 -0.0000000 -0.0000000), wk = 0.0041841 k( 30) = ( 0.4677419 -0.0000000 0.0000000), wk = 0.0041841 k( 31) = ( 0.4838710 -0.0000000 0.0000000), wk = 0.0041841 k( 32) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0041841 k( 33) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0041841 k( 34) = ( 0.4907407 0.0185185 0.0000000), wk = 0.0041841 k( 35) = ( 0.4814815 0.0370370 -0.0000000), wk = 0.0041841 k( 36) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0041841 k( 37) = ( 0.4629630 0.0740741 0.0000000), wk = 0.0041841 k( 38) = ( 0.4537037 0.0925926 0.0000000), wk = 0.0041841 k( 39) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0041841 k( 40) = ( 0.4351852 0.1296296 0.0000000), wk = 0.0041841 k( 41) = ( 0.4259259 0.1481481 -0.0000000), wk = 0.0041841 k( 42) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0041841 k( 43) = ( 0.4074074 0.1851852 -0.0000000), wk = 0.0041841 k( 44) = ( 0.3981481 0.2037037 0.0000000), wk = 0.0041841 k( 45) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0041841 k( 46) = ( 0.3796296 0.2407407 0.0000000), wk = 0.0041841 k( 47) = ( 0.3703704 0.2592593 -0.0000000), wk = 0.0041841 k( 48) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0041841 k( 49) = ( 0.3518519 0.2962963 -0.0000000), wk = 0.0041841 k( 50) = ( 0.3425926 0.3148148 0.0000000), wk = 0.0041841 k( 51) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0041841 k( 52) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0041841 k( 53) = ( 0.3240741 0.3240741 0.0000000), wk = 0.0041841 k( 54) = ( 0.3148148 0.3148148 0.0000000), wk = 0.0041841 k( 55) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0041841 k( 56) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0041841 k( 57) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0041841 k( 58) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0041841 k( 59) = ( 0.2685185 0.2685185 0.0000000), wk = 0.0041841 k( 60) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0041841 k( 61) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0041841 k( 62) = ( 0.2407407 0.2407407 0.0000000), wk = 0.0041841 k( 63) = ( 0.2314815 0.2314815 -0.0000000), wk = 0.0041841 k( 64) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0041841 k( 65) = ( 0.2129630 0.2129630 0.0000000), wk = 0.0041841 k( 66) = ( 0.2037037 0.2037037 0.0000000), wk = 0.0041841 k( 67) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0041841 k( 68) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0041841 k( 69) = ( 0.1759259 0.1759259 0.0000000), wk = 0.0041841 k( 70) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0041841 k( 71) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0041841 k( 72) = ( 0.1481482 0.1481481 -0.0000000), wk = 0.0041841 k( 73) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0041841 k( 74) = ( 0.1296296 0.1296296 0.0000000), wk = 0.0041841 k( 75) = ( 0.1203704 0.1203704 0.0000000), wk = 0.0041841 k( 76) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0041841 k( 77) = ( 0.1018518 0.1018518 0.0000000), wk = 0.0041841 k( 78) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0041841 k( 79) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0041841 k( 80) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0041841 k( 81) = ( 0.0648148 0.0648148 0.0000000), wk = 0.0041841 k( 82) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0041841 k( 83) = ( 0.0462963 0.0462963 -0.0000000), wk = 0.0041841 k( 84) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0041841 k( 85) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0041841 k( 86) = ( 0.0185185 0.0185185 0.0000000), wk = 0.0041841 k( 87) = ( 0.0092593 0.0092593 0.0000000), wk = 0.0041841 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 90) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0041841 k( 91) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0041841 k( 92) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0041841 k( 93) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0041841 k( 94) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0041841 k( 95) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0041841 k( 96) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0041841 k( 97) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0041841 k( 98) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0041841 k( 99) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0041841 k( 100) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0041841 k( 101) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0041841 k( 102) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0041841 k( 103) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0041841 k( 104) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0041841 k( 105) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0041841 k( 106) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0041841 k( 107) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0041841 k( 108) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0041841 k( 109) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0041841 k( 110) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0041841 k( 111) = ( 0.0161290 -0.0000000 0.5000000), wk = 0.0041841 k( 112) = ( 0.0322581 -0.0000000 0.5000000), wk = 0.0041841 k( 113) = ( 0.0483871 -0.0000000 0.5000000), wk = 0.0041841 k( 114) = ( 0.0645161 -0.0000000 0.5000000), wk = 0.0041841 k( 115) = ( 0.0806452 -0.0000000 0.5000000), wk = 0.0041841 k( 116) = ( 0.0967742 -0.0000000 0.5000000), wk = 0.0041841 k( 117) = ( 0.1129032 -0.0000000 0.5000000), wk = 0.0041841 k( 118) = ( 0.1290323 -0.0000000 0.5000000), wk = 0.0041841 k( 119) = ( 0.1451613 -0.0000000 0.5000000), wk = 0.0041841 k( 120) = ( 0.1612903 -0.0000000 0.5000000), wk = 0.0041841 k( 121) = ( 0.1774194 -0.0000000 0.5000000), wk = 0.0041841 k( 122) = ( 0.1935484 -0.0000000 0.5000000), wk = 0.0041841 k( 123) = ( 0.2096774 -0.0000000 0.5000000), wk = 0.0041841 k( 124) = ( 0.2258064 -0.0000000 0.5000000), wk = 0.0041841 k( 125) = ( 0.2419355 -0.0000000 0.5000000), wk = 0.0041841 k( 126) = ( 0.2580645 -0.0000000 0.5000000), wk = 0.0041841 k( 127) = ( 0.2741936 -0.0000000 0.5000000), wk = 0.0041841 k( 128) = ( 0.2903226 -0.0000000 0.5000000), wk = 0.0041841 k( 129) = ( 0.3064516 -0.0000000 0.5000000), wk = 0.0041841 k( 130) = ( 0.3225807 -0.0000000 0.5000000), wk = 0.0041841 k( 131) = ( 0.3387097 -0.0000000 0.5000000), wk = 0.0041841 k( 132) = ( 0.3548387 -0.0000000 0.5000000), wk = 0.0041841 k( 133) = ( 0.3709677 -0.0000000 0.5000000), wk = 0.0041841 k( 134) = ( 0.3870968 -0.0000000 0.5000000), wk = 0.0041841 k( 135) = ( 0.4032258 -0.0000000 0.5000000), wk = 0.0041841 k( 136) = ( 0.4193548 -0.0000000 0.5000000), wk = 0.0041841 k( 137) = ( 0.4354839 -0.0000000 0.5000000), wk = 0.0041841 k( 138) = ( 0.4516129 -0.0000000 0.5000000), wk = 0.0041841 k( 139) = ( 0.4677419 -0.0000000 0.5000000), wk = 0.0041841 k( 140) = ( 0.4838710 -0.0000000 0.5000000), wk = 0.0041841 k( 141) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0041841 k( 142) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0041841 k( 143) = ( 0.4907407 0.0185185 0.5000000), wk = 0.0041841 k( 144) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0041841 k( 145) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0041841 k( 146) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0041841 k( 147) = ( 0.4537037 0.0925926 0.5000000), wk = 0.0041841 k( 148) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0041841 k( 149) = ( 0.4351852 0.1296296 0.5000000), wk = 0.0041841 k( 150) = ( 0.4259259 0.1481481 0.5000000), wk = 0.0041841 k( 151) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0041841 k( 152) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0041841 k( 153) = ( 0.3981481 0.2037037 0.5000000), wk = 0.0041841 k( 154) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0041841 k( 155) = ( 0.3796296 0.2407407 0.5000000), wk = 0.0041841 k( 156) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0041841 k( 157) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0041841 k( 158) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0041841 k( 159) = ( 0.3425926 0.3148148 0.5000000), wk = 0.0041841 k( 160) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0041841 k( 161) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0041841 k( 162) = ( 0.3240741 0.3240741 0.5000000), wk = 0.0041841 k( 163) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0041841 k( 164) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0041841 k( 165) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0041841 k( 166) = ( 0.2870370 0.2870370 0.5000000), wk = 0.0041841 k( 167) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0041841 k( 168) = ( 0.2685185 0.2685185 0.5000000), wk = 0.0041841 k( 169) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0041841 k( 170) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0041841 k( 171) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0041841 k( 172) = ( 0.2314815 0.2314815 0.5000000), wk = 0.0041841 k( 173) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0041841 k( 174) = ( 0.2129630 0.2129630 0.5000000), wk = 0.0041841 k( 175) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0041841 k( 176) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0041841 k( 177) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0041841 k( 178) = ( 0.1759259 0.1759259 0.5000000), wk = 0.0041841 k( 179) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0041841 k( 180) = ( 0.1574074 0.1574074 0.5000000), wk = 0.0041841 k( 181) = ( 0.1481482 0.1481481 0.5000000), wk = 0.0041841 k( 182) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0041841 k( 183) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0041841 k( 184) = ( 0.1203704 0.1203704 0.5000000), wk = 0.0041841 k( 185) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0041841 k( 186) = ( 0.1018518 0.1018518 0.5000000), wk = 0.0041841 k( 187) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0041841 k( 188) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0041841 k( 189) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0041841 k( 190) = ( 0.0648148 0.0648148 0.5000000), wk = 0.0041841 k( 191) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0041841 k( 192) = ( 0.0462963 0.0462963 0.5000000), wk = 0.0041841 k( 193) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0041841 k( 194) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0041841 k( 195) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0041841 k( 196) = ( 0.0092593 0.0092593 0.5000000), wk = 0.0041841 k( 197) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0041841 k( 198) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0041841 k( 199) = ( 0.5000000 -0.0000000 0.4750000), wk = 0.0041841 k( 200) = ( 0.5000000 -0.0000000 0.4500000), wk = 0.0041841 k( 201) = ( 0.5000000 -0.0000000 0.4250000), wk = 0.0041841 k( 202) = ( 0.5000000 -0.0000000 0.4000000), wk = 0.0041841 k( 203) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0041841 k( 204) = ( 0.5000000 -0.0000000 0.3500000), wk = 0.0041841 k( 205) = ( 0.5000000 -0.0000000 0.3250000), wk = 0.0041841 k( 206) = ( 0.5000000 -0.0000000 0.3000000), wk = 0.0041841 k( 207) = ( 0.5000000 -0.0000000 0.2750000), wk = 0.0041841 k( 208) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0041841 k( 209) = ( 0.5000000 -0.0000000 0.2250000), wk = 0.0041841 k( 210) = ( 0.5000000 -0.0000000 0.2000000), wk = 0.0041841 k( 211) = ( 0.5000000 -0.0000000 0.1750000), wk = 0.0041841 k( 212) = ( 0.5000000 -0.0000000 0.1500000), wk = 0.0041841 k( 213) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0041841 k( 214) = ( 0.5000000 -0.0000000 0.1000000), wk = 0.0041841 k( 215) = ( 0.5000000 -0.0000000 0.0750000), wk = 0.0041841 k( 216) = ( 0.5000000 -0.0000000 0.0500000), wk = 0.0041841 k( 217) = ( 0.5000000 -0.0000000 0.0250000), wk = 0.0041841 k( 218) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0041841 k( 219) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0041841 k( 220) = ( 0.3333333 0.3333333 0.0250000), wk = 0.0041841 k( 221) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0041841 k( 222) = ( 0.3333333 0.3333333 0.0750000), wk = 0.0041841 k( 223) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0041841 k( 224) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0041841 k( 225) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0041841 k( 226) = ( 0.3333333 0.3333333 0.1750000), wk = 0.0041841 k( 227) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0041841 k( 228) = ( 0.3333333 0.3333333 0.2250000), wk = 0.0041841 k( 229) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0041841 k( 230) = ( 0.3333333 0.3333333 0.2750000), wk = 0.0041841 k( 231) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0041841 k( 232) = ( 0.3333333 0.3333333 0.3250000), wk = 0.0041841 k( 233) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0041841 k( 234) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0041841 k( 235) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0041841 k( 236) = ( 0.3333333 0.3333333 0.4250000), wk = 0.0041841 k( 237) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0041841 k( 238) = ( 0.3333333 0.3333333 0.4750000), wk = 0.0041841 k( 239) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0041841 Dense grid: 125847 G-vectors FFT dimensions: ( 60, 60, 81) Smooth grid: 56905 G-vectors FFT dimensions: ( 45, 45, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 210, 58) NL pseudopotentials 0.33 Mb ( 105, 204) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1749) G-vector shells 0.01 Mb ( 843) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.74 Mb ( 210, 232) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.36 Mb ( 204, 2, 58) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./K2S.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 7.0 secs Computing kpt #: 3 total cpu time spent up to now is 9.2 secs Computing kpt #: 4 total cpu time spent up to now is 11.8 secs Computing kpt #: 5 total cpu time spent up to now is 13.8 secs Computing kpt #: 6 total cpu time spent up to now is 15.8 secs Computing kpt #: 7 total cpu time spent up to now is 17.8 secs Computing kpt #: 8 total cpu time spent up to now is 19.9 secs Computing kpt #: 9 total cpu time spent up to now is 23.2 secs Computing kpt #: 10 total cpu time spent up to now is 25.4 secs Computing kpt #: 11 total cpu time spent up to now is 27.2 secs Computing kpt #: 12 total cpu time spent up to now is 28.7 secs Computing kpt #: 13 total cpu time spent up to now is 30.4 secs Computing kpt #: 14 total cpu time spent up to now is 31.8 secs Computing kpt #: 15 total cpu time spent up to now is 33.2 secs Computing kpt #: 16 total cpu time spent up to now is 34.6 secs Computing kpt #: 17 total cpu time spent up to now is 36.1 secs Computing kpt #: 18 total cpu time spent up to now is 40.8 secs Computing kpt #: 19 total cpu time spent up to now is 42.1 secs Computing kpt #: 20 total cpu time spent up to now is 43.4 secs Computing kpt #: 21 total cpu time spent up to now is 44.6 secs Computing kpt #: 22 total cpu time spent up to now is 45.8 secs Computing kpt #: 23 total cpu time spent up to now is 46.9 secs Computing kpt #: 24 total cpu time spent up to now is 48.0 secs Computing kpt #: 25 total cpu time spent up to now is 49.2 secs Computing kpt #: 26 total cpu time spent up to now is 50.3 secs Computing kpt #: 27 total cpu time spent up to now is 51.4 secs Computing kpt #: 28 total cpu time spent up to now is 52.5 secs Computing kpt #: 29 total cpu time spent up to now is 53.7 secs Computing kpt #: 30 total cpu time spent up to now is 55.1 secs Computing kpt #: 31 total cpu time spent up to now is 56.8 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 59.9 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 63.0 secs Computing kpt #: 34 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 66.1 secs Computing kpt #: 35 total cpu time spent up to now is 69.6 secs Computing kpt #: 36 total cpu time spent up to now is 70.7 secs Computing kpt #: 37 total cpu time spent up to now is 71.8 secs Computing kpt #: 38 total cpu time spent up to now is 72.9 secs Computing kpt #: 39 total cpu time spent up to now is 74.0 secs Computing kpt #: 40 total cpu time spent up to now is 75.1 secs Computing kpt #: 41 total cpu time spent up to now is 76.2 secs Computing kpt #: 42 total cpu time spent up to now is 77.3 secs Computing kpt #: 43 total cpu time spent up to now is 78.4 secs Computing kpt #: 44 total cpu time spent up to now is 79.7 secs Computing kpt #: 45 total cpu time spent up to now is 80.8 secs Computing kpt #: 46 total cpu time spent up to now is 81.9 secs Computing kpt #: 47 total cpu time spent up to now is 83.0 secs Computing kpt #: 48 total cpu time spent up to now is 83.9 secs Computing kpt #: 49 total cpu time spent up to now is 84.9 secs Computing kpt #: 50 total cpu time spent up to now is 85.8 secs Computing kpt #: 51 total cpu time spent up to now is 86.7 secs Computing kpt #: 52 total cpu time spent up to now is 87.5 secs Computing kpt #: 53 total cpu time spent up to now is 88.5 secs Computing kpt #: 54 total cpu time spent up to now is 89.5 secs Computing kpt #: 55 total cpu time spent up to now is 90.4 secs Computing kpt #: 56 total cpu time spent up to now is 91.4 secs Computing kpt #: 57 total cpu time spent up to now is 92.3 secs Computing kpt #: 58 total cpu time spent up to now is 93.3 secs Computing kpt #: 59 total cpu time spent up to now is 94.2 secs Computing kpt #: 60 total cpu time spent up to now is 95.4 secs Computing kpt #: 61 total cpu time spent up to now is 96.5 secs Computing kpt #: 62 total cpu time spent up to now is 97.4 secs Computing kpt #: 63 total cpu time spent up to now is 98.4 secs Computing kpt #: 64 total cpu time spent up to now is 99.3 secs Computing kpt #: 65 total cpu time spent up to now is 100.3 secs Computing kpt #: 66 total cpu time spent up to now is 101.2 secs Computing kpt #: 67 total cpu time spent up to now is 102.1 secs Computing kpt #: 68 total cpu time spent up to now is 103.1 secs Computing kpt #: 69 total cpu time spent up to now is 104.0 secs Computing kpt #: 70 total cpu time spent up to now is 105.0 secs Computing kpt #: 71 total cpu time spent up to now is 105.9 secs Computing kpt #: 72 total cpu time spent up to now is 107.1 secs Computing kpt #: 73 total cpu time spent up to now is 108.2 secs Computing kpt #: 74 total cpu time spent up to now is 109.2 secs Computing kpt #: 75 total cpu time spent up to now is 110.3 secs Computing kpt #: 76 total cpu time spent up to now is 111.5 secs Computing kpt #: 77 total cpu time spent up to now is 112.6 secs Computing kpt #: 78 total cpu time spent up to now is 113.7 secs Computing kpt #: 79 total cpu time spent up to now is 114.9 secs Computing kpt #: 80 total cpu time spent up to now is 116.2 secs Computing kpt #: 81 total cpu time spent up to now is 117.6 secs Computing kpt #: 82 total cpu time spent up to now is 119.1 secs Computing kpt #: 83 total cpu time spent up to now is 120.4 secs Computing kpt #: 84 total cpu time spent up to now is 121.9 secs Computing kpt #: 85 total cpu time spent up to now is 123.5 secs Computing kpt #: 86 total cpu time spent up to now is 125.6 secs Computing kpt #: 87 total cpu time spent up to now is 127.7 secs Computing kpt #: 88 total cpu time spent up to now is 129.5 secs Computing kpt #: 89 total cpu time spent up to now is 131.3 secs Computing kpt #: 90 total cpu time spent up to now is 133.0 secs Computing kpt #: 91 total cpu time spent up to now is 135.1 secs Computing kpt #: 92 total cpu time spent up to now is 136.8 secs Computing kpt #: 93 total cpu time spent up to now is 138.6 secs Computing kpt #: 94 total cpu time spent up to now is 140.7 secs Computing kpt #: 95 total cpu time spent up to now is 142.4 secs Computing kpt #: 96 total cpu time spent up to now is 144.2 secs Computing kpt #: 97 total cpu time spent up to now is 145.8 secs Computing kpt #: 98 total cpu time spent up to now is 147.8 secs Computing kpt #: 99 total cpu time spent up to now is 149.7 secs Computing kpt #: 100 total cpu time spent up to now is 151.7 secs Computing kpt #: 101 total cpu time spent up to now is 153.5 secs Computing kpt #: 102 total cpu time spent up to now is 155.6 secs Computing kpt #: 103 total cpu time spent up to now is 157.7 secs Computing kpt #: 104 total cpu time spent up to now is 159.9 secs Computing kpt #: 105 total cpu time spent up to now is 162.0 secs Computing kpt #: 106 total cpu time spent up to now is 164.1 secs Computing kpt #: 107 total cpu time spent up to now is 166.0 secs Computing kpt #: 108 total cpu time spent up to now is 167.9 secs Computing kpt #: 109 total cpu time spent up to now is 169.6 secs Computing kpt #: 110 total cpu time spent up to now is 171.3 secs Computing kpt #: 111 total cpu time spent up to now is 173.1 secs Computing kpt #: 112 total cpu time spent up to now is 174.9 secs Computing kpt #: 113 total cpu time spent up to now is 176.7 secs Computing kpt #: 114 total cpu time spent up to now is 178.3 secs Computing kpt #: 115 total cpu time spent up to now is 179.9 secs Computing kpt #: 116 total cpu time spent up to now is 181.3 secs Computing kpt #: 117 total cpu time spent up to now is 183.0 secs Computing kpt #: 118 total cpu time spent up to now is 184.6 secs Computing kpt #: 119 total cpu time spent up to now is 186.2 secs Computing kpt #: 120 total cpu time spent up to now is 188.0 secs Computing kpt #: 121 total cpu time spent up to now is 189.8 secs Computing kpt #: 122 total cpu time spent up to now is 191.1 secs Computing kpt #: 123 total cpu time spent up to now is 192.7 secs Computing kpt #: 124 total cpu time spent up to now is 194.2 secs Computing kpt #: 125 total cpu time spent up to now is 195.6 secs Computing kpt #: 126 total cpu time spent up to now is 197.1 secs Computing kpt #: 127 total cpu time spent up to now is 198.5 secs Computing kpt #: 128 total cpu time spent up to now is 199.9 secs Computing kpt #: 129 total cpu time spent up to now is 201.2 secs Computing kpt #: 130 total cpu time spent up to now is 202.5 secs Computing kpt #: 131 total cpu time spent up to now is 203.9 secs Computing kpt #: 132 total cpu time spent up to now is 205.3 secs Computing kpt #: 133 total cpu time spent up to now is 206.6 secs Computing kpt #: 134 total cpu time spent up to now is 207.9 secs Computing kpt #: 135 total cpu time spent up to now is 209.6 secs Computing kpt #: 136 total cpu time spent up to now is 210.8 secs Computing kpt #: 137 total cpu time spent up to now is 212.0 secs Computing kpt #: 138 total cpu time spent up to now is 213.2 secs Computing kpt #: 139 total cpu time spent up to now is 214.4 secs Computing kpt #: 140 total cpu time spent up to now is 215.6 secs Computing kpt #: 141 total cpu time spent up to now is 216.9 secs Computing kpt #: 142 total cpu time spent up to now is 218.2 secs Computing kpt #: 143 total cpu time spent up to now is 219.5 secs Computing kpt #: 144 total cpu time spent up to now is 220.8 secs Computing kpt #: 145 total cpu time spent up to now is 222.0 secs Computing kpt #: 146 total cpu time spent up to now is 223.2 secs Computing kpt #: 147 total cpu time spent up to now is 224.4 secs Computing kpt #: 148 total cpu time spent up to now is 225.5 secs Computing kpt #: 149 total cpu time spent up to now is 226.9 secs Computing kpt #: 150 total cpu time spent up to now is 228.2 secs Computing kpt #: 151 total cpu time spent up to now is 229.5 secs Computing kpt #: 152 total cpu time spent up to now is 230.8 secs Computing kpt #: 153 total cpu time spent up to now is 232.1 secs Computing kpt #: 154 total cpu time spent up to now is 233.4 secs Computing kpt #: 155 total cpu time spent up to now is 234.8 secs Computing kpt #: 156 total cpu time spent up to now is 236.1 secs Computing kpt #: 157 total cpu time spent up to now is 237.4 secs Computing kpt #: 158 total cpu time spent up to now is 239.0 secs Computing kpt #: 159 total cpu time spent up to now is 240.3 secs Computing kpt #: 160 total cpu time spent up to now is 241.7 secs Computing kpt #: 161 total cpu time spent up to now is 242.9 secs Computing kpt #: 162 total cpu time spent up to now is 244.3 secs Computing kpt #: 163 total cpu time spent up to now is 245.7 secs Computing kpt #: 164 total cpu time spent up to now is 247.9 secs Computing kpt #: 165 total cpu time spent up to now is 250.7 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 253.7 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 257.0 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 260.2 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 263.4 secs Computing kpt #: 170 total cpu time spent up to now is 266.0 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 269.2 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 272.4 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 275.6 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 278.5 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 281.5 secs Computing kpt #: 176 total cpu time spent up to now is 282.7 secs Computing kpt #: 177 total cpu time spent up to now is 283.9 secs Computing kpt #: 178 total cpu time spent up to now is 285.1 secs Computing kpt #: 179 total cpu time spent up to now is 286.3 secs Computing kpt #: 180 total cpu time spent up to now is 287.4 secs Computing kpt #: 181 total cpu time spent up to now is 288.6 secs Computing kpt #: 182 total cpu time spent up to now is 289.7 secs Computing kpt #: 183 total cpu time spent up to now is 290.9 secs Computing kpt #: 184 total cpu time spent up to now is 292.1 secs Computing kpt #: 185 total cpu time spent up to now is 293.4 secs Computing kpt #: 186 total cpu time spent up to now is 294.5 secs Computing kpt #: 187 total cpu time spent up to now is 295.7 secs Computing kpt #: 188 total cpu time spent up to now is 296.9 secs Computing kpt #: 189 total cpu time spent up to now is 299.1 secs Computing kpt #: 190 total cpu time spent up to now is 301.6 secs Computing kpt #: 191 total cpu time spent up to now is 303.7 secs Computing kpt #: 192 total cpu time spent up to now is 305.9 secs Computing kpt #: 193 total cpu time spent up to now is 308.0 secs Computing kpt #: 194 total cpu time spent up to now is 309.9 secs Computing kpt #: 195 total cpu time spent up to now is 311.9 secs Computing kpt #: 196 total cpu time spent up to now is 314.1 secs Computing kpt #: 197 total cpu time spent up to now is 316.0 secs Computing kpt #: 198 total cpu time spent up to now is 317.3 secs Computing kpt #: 199 total cpu time spent up to now is 318.7 secs Computing kpt #: 200 total cpu time spent up to now is 320.0 secs Computing kpt #: 201 total cpu time spent up to now is 321.3 secs Computing kpt #: 202 total cpu time spent up to now is 322.7 secs Computing kpt #: 203 total cpu time spent up to now is 324.0 secs Computing kpt #: 204 total cpu time spent up to now is 325.3 secs Computing kpt #: 205 total cpu time spent up to now is 326.6 secs Computing kpt #: 206 total cpu time spent up to now is 327.9 secs Computing kpt #: 207 total cpu time spent up to now is 329.2 secs Computing kpt #: 208 total cpu time spent up to now is 330.5 secs Computing kpt #: 209 total cpu time spent up to now is 331.8 secs Computing kpt #: 210 total cpu time spent up to now is 333.2 secs Computing kpt #: 211 total cpu time spent up to now is 334.6 secs Computing kpt #: 212 total cpu time spent up to now is 336.1 secs Computing kpt #: 213 total cpu time spent up to now is 337.9 secs Computing kpt #: 214 total cpu time spent up to now is 339.6 secs Computing kpt #: 215 total cpu time spent up to now is 342.1 secs Computing kpt #: 216 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 345.2 secs Computing kpt #: 217 total cpu time spent up to now is 346.7 secs Computing kpt #: 218 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 349.7 secs Computing kpt #: 219 total cpu time spent up to now is 350.6 secs Computing kpt #: 220 total cpu time spent up to now is 351.6 secs Computing kpt #: 221 total cpu time spent up to now is 352.6 secs Computing kpt #: 222 total cpu time spent up to now is 353.6 secs Computing kpt #: 223 total cpu time spent up to now is 354.7 secs Computing kpt #: 224 total cpu time spent up to now is 355.9 secs Computing kpt #: 225 total cpu time spent up to now is 357.0 secs Computing kpt #: 226 total cpu time spent up to now is 358.3 secs Computing kpt #: 227 total cpu time spent up to now is 359.4 secs Computing kpt #: 228 total cpu time spent up to now is 360.7 secs Computing kpt #: 229 total cpu time spent up to now is 361.9 secs Computing kpt #: 230 total cpu time spent up to now is 363.2 secs Computing kpt #: 231 total cpu time spent up to now is 364.5 secs Computing kpt #: 232 total cpu time spent up to now is 365.7 secs Computing kpt #: 233 total cpu time spent up to now is 366.9 secs Computing kpt #: 234 total cpu time spent up to now is 368.2 secs Computing kpt #: 235 total cpu time spent up to now is 369.9 secs Computing kpt #: 236 total cpu time spent up to now is 371.3 secs Computing kpt #: 237 total cpu time spent up to now is 372.6 secs Computing kpt #: 238 total cpu time spent up to now is 374.6 secs Computing kpt #: 239 total cpu time spent up to now is 376.0 secs ethr = 2.08E-08, avg # of iterations = 41.5 total cpu time spent up to now is 376.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7111 PWs) bands (ev): -28.6699 -28.6699 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3678 -12.3678 -12.3037 -12.3037 -12.1027 -12.1027 -12.0372 -12.0372 -12.0371 -12.0371 -12.0118 -12.0118 -11.4733 -11.4733 -11.4568 -11.4568 -11.2169 -11.2169 -11.1980 -11.1980 -11.1972 -11.1972 -11.1836 -11.1836 -7.5878 -7.5878 -7.5161 -7.5161 1.4469 1.4469 1.6885 1.6885 1.7285 1.7285 1.8982 1.8982 1.9467 1.9467 2.3473 2.3473 3.4233 3.4233 5.6984 5.6984 6.2330 6.2330 6.7644 6.7644 6.7647 6.7647 k = 0.0161 0.0093-0.0000 ( 7137 PWs) bands (ev): -28.6699 -28.6699 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3678 -12.3678 -12.3038 -12.3038 -12.1027 -12.1027 -12.0372 -12.0372 -12.0371 -12.0371 -12.0118 -12.0118 -11.4733 -11.4733 -11.4569 -11.4569 -11.2169 -11.2169 -11.1980 -11.1980 -11.1972 -11.1972 -11.1837 -11.1837 -7.5876 -7.5876 -7.5160 -7.5160 1.4476 1.4476 1.6883 1.6883 1.7283 1.7283 1.8966 1.8966 1.9451 1.9451 2.3466 2.3466 3.4288 3.4288 5.7004 5.7004 6.2325 6.2325 6.7646 6.7646 6.7656 6.7656 k = 0.0323 0.0186-0.0000 ( 7145 PWs) bands (ev): -28.6699 -28.6699 -28.6594 -28.6594 -27.7930 -27.7930 -27.7929 -27.7929 -12.3678 -12.3678 -12.3038 -12.3038 -12.1028 -12.1028 -12.0373 -12.0373 -12.0371 -12.0371 -12.0119 -12.0119 -11.4732 -11.4732 -11.4570 -11.4570 -11.2168 -11.2168 -11.1981 -11.1981 -11.1972 -11.1972 -11.1839 -11.1839 -7.5870 -7.5870 -7.5159 -7.5159 1.4495 1.4495 1.6879 1.6879 1.7279 1.7279 1.8911 1.8911 1.9410 1.9410 2.3447 2.3447 3.4451 3.4451 5.7062 5.7062 6.2311 6.2311 6.7644 6.7644 6.7676 6.7677 k = 0.0484 0.0279-0.0000 ( 7125 PWs) bands (ev): -28.6699 -28.6699 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3679 -12.3679 -12.3038 -12.3038 -12.1029 -12.1029 -12.0373 -12.0373 -12.0371 -12.0371 -12.0120 -12.0120 -11.4730 -11.4730 -11.4572 -11.4572 -11.2167 -11.2167 -11.1983 -11.1983 -11.1972 -11.1972 -11.1841 -11.1841 -7.5861 -7.5861 -7.5156 -7.5156 1.4527 1.4527 1.6872 1.6872 1.7272 1.7272 1.8806 1.8806 1.9362 1.9362 2.3414 2.3414 3.4717 3.4717 5.7159 5.7159 6.2286 6.2286 6.7629 6.7629 6.7708 6.7708 k = 0.0645 0.0372-0.0000 ( 7121 PWs) bands (ev): -28.6699 -28.6699 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3680 -12.3680 -12.3038 -12.3038 -12.1030 -12.1030 -12.0374 -12.0374 -12.0371 -12.0371 -12.0121 -12.0121 -11.4727 -11.4727 -11.4574 -11.4574 -11.2165 -11.2165 -11.1984 -11.1984 -11.1972 -11.1972 -11.1844 -11.1844 -7.5847 -7.5847 -7.5152 -7.5152 1.4571 1.4571 1.6858 1.6858 1.7265 1.7265 1.8640 1.8640 1.9323 1.9323 2.3370 2.3370 3.5078 3.5078 5.7293 5.7293 6.2248 6.2248 6.7599 6.7599 6.7752 6.7752 k = 0.0806 0.0466-0.0000 ( 7119 PWs) bands (ev): -28.6698 -28.6698 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3681 -12.3681 -12.3038 -12.3038 -12.1032 -12.1032 -12.0376 -12.0376 -12.0370 -12.0370 -12.0123 -12.0123 -11.4724 -11.4724 -11.4577 -11.4577 -11.2163 -11.2163 -11.1987 -11.1987 -11.1972 -11.1972 -11.1849 -11.1849 -7.5830 -7.5830 -7.5146 -7.5146 1.4628 1.4628 1.6837 1.6837 1.7259 1.7259 1.8421 1.8421 1.9297 1.9297 2.3313 2.3313 3.5525 3.5525 5.7463 5.7463 6.2194 6.2194 6.7558 6.7558 6.7807 6.7807 k = 0.0968 0.0559-0.0000 ( 7125 PWs) bands (ev): -28.6698 -28.6698 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3682 -12.3682 -12.3038 -12.3038 -12.1034 -12.1034 -12.0377 -12.0377 -12.0370 -12.0370 -12.0125 -12.0125 -11.4721 -11.4721 -11.4581 -11.4581 -11.2160 -11.2160 -11.1990 -11.1990 -11.1972 -11.1972 -11.1854 -11.1854 -7.5809 -7.5809 -7.5140 -7.5140 1.4697 1.4697 1.6806 1.6806 1.7254 1.7254 1.8161 1.8161 1.9282 1.9282 2.3245 2.3245 3.6048 3.6048 5.7668 5.7668 6.2122 6.2122 6.7510 6.7510 6.7874 6.7874 k = 0.1129 0.0652-0.0000 ( 7113 PWs) bands (ev): -28.6698 -28.6698 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3684 -12.3684 -12.3038 -12.3038 -12.1037 -12.1037 -12.0379 -12.0379 -12.0370 -12.0370 -12.0127 -12.0127 -11.4717 -11.4717 -11.4585 -11.4585 -11.2157 -11.2157 -11.1993 -11.1993 -11.1972 -11.1972 -11.1860 -11.1860 -7.5785 -7.5785 -7.5133 -7.5133 1.4778 1.4778 1.6759 1.6759 1.7251 1.7251 1.7880 1.7880 1.9274 1.9274 2.3165 2.3165 3.6637 3.6637 5.7904 5.7904 6.2029 6.2029 6.7457 6.7457 6.7953 6.7953 k = 0.1290 0.0745-0.0000 ( 7125 PWs) bands (ev): -28.6698 -28.6698 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3686 -12.3686 -12.3039 -12.3039 -12.1040 -12.1040 -12.0381 -12.0381 -12.0370 -12.0370 -12.0130 -12.0130 -11.4712 -11.4712 -11.4590 -11.4590 -11.2154 -11.2154 -11.1998 -11.1998 -11.1972 -11.1972 -11.1866 -11.1866 -7.5758 -7.5758 -7.5125 -7.5125 1.4870 1.4870 1.6688 1.6688 1.7243 1.7243 1.7602 1.7602 1.9270 1.9270 2.3076 2.3076 3.7282 3.7282 5.8168 5.8168 6.1914 6.1914 6.7402 6.7402 6.8042 6.8042 k = 0.1452 0.0838-0.0000 ( 7121 PWs) bands (ev): -28.6698 -28.6698 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3688 -12.3688 -12.3039 -12.3039 -12.1043 -12.1043 -12.0384 -12.0384 -12.0370 -12.0370 -12.0133 -12.0133 -11.4707 -11.4707 -11.4596 -11.4596 -11.2150 -11.2150 -11.2002 -11.2002 -11.1972 -11.1972 -11.1873 -11.1873 -7.5729 -7.5729 -7.5116 -7.5116 1.4973 1.4973 1.6578 1.6578 1.7188 1.7188 1.7395 1.7395 1.9268 1.9268 2.2977 2.2977 3.7974 3.7974 5.8452 5.8452 6.1780 6.1780 6.7346 6.7346 6.8075 6.8075 k = 0.1613 0.0931-0.0000 ( 7117 PWs) bands (ev): -28.6698 -28.6698 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3690 -12.3690 -12.3039 -12.3039 -12.1047 -12.1047 -12.0386 -12.0386 -12.0369 -12.0369 -12.0136 -12.0136 -11.4702 -11.4702 -11.4601 -11.4601 -11.2146 -11.2146 -11.2008 -11.2008 -11.1972 -11.1972 -11.1879 -11.1879 -7.5697 -7.5697 -7.5106 -7.5106 1.5086 1.5086 1.6404 1.6404 1.7032 1.7032 1.7344 1.7344 1.9268 1.9268 2.2868 2.2868 3.8706 3.8706 5.8746 5.8746 6.1634 6.1634 6.7290 6.7290 6.7931 6.7931 k = 0.1774 0.1024-0.0000 ( 7113 PWs) bands (ev): -28.6697 -28.6697 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3692 -12.3692 -12.3039 -12.3039 -12.1050 -12.1050 -12.0389 -12.0389 -12.0369 -12.0369 -12.0140 -12.0140 -11.4697 -11.4697 -11.4607 -11.4607 -11.2142 -11.2142 -11.2013 -11.2013 -11.1972 -11.1972 -11.1886 -11.1886 -7.5662 -7.5662 -7.5096 -7.5096 1.5207 1.5207 1.6159 1.6159 1.6889 1.6889 1.7351 1.7351 1.9270 1.9270 2.2752 2.2752 3.9470 3.9470 5.9028 5.9028 6.1493 6.1493 6.7234 6.7234 6.7696 6.7696 k = 0.1935 0.1117-0.0000 ( 7125 PWs) bands (ev): -28.6697 -28.6697 -28.6594 -28.6594 -27.7931 -27.7931 -27.7928 -27.7928 -12.3694 -12.3694 -12.3040 -12.3040 -12.1054 -12.1054 -12.0392 -12.0392 -12.0369 -12.0369 -12.0143 -12.0143 -11.4692 -11.4692 -11.4612 -11.4612 -11.2137 -11.2137 -11.2020 -11.2020 -11.1973 -11.1973 -11.1892 -11.1892 -7.5626 -7.5626 -7.5086 -7.5086 1.5333 1.5333 1.5870 1.5870 1.6784 1.6784 1.7371 1.7371 1.9272 1.9272 2.2627 2.2627 4.0259 4.0259 5.9264 5.9264 6.1394 6.1394 6.7175 6.7175 6.7387 6.7387 k = 0.2097 0.1211-0.0000 ( 7125 PWs) bands (ev): -28.6697 -28.6697 -28.6594 -28.6594 -27.7931 -27.7931 -27.7928 -27.7928 -12.3697 -12.3697 -12.3040 -12.3040 -12.1059 -12.1059 -12.0395 -12.0395 -12.0368 -12.0368 -12.0147 -12.0147 -11.4687 -11.4687 -11.4618 -11.4618 -11.2133 -11.2133 -11.2027 -11.2027 -11.1974 -11.1974 -11.1898 -11.1898 -7.5589 -7.5589 -7.5075 -7.5075 1.5425 1.5425 1.5603 1.5603 1.6702 1.6702 1.7396 1.7396 1.9275 1.9275 2.2496 2.2496 4.1066 4.1066 5.9395 5.9395 6.1393 6.1393 6.6998 6.6998 6.7139 6.7139 k = 0.2258 0.1304-0.0000 ( 7119 PWs) bands (ev): -28.6697 -28.6697 -28.6594 -28.6594 -27.7931 -27.7931 -27.7928 -27.7928 -12.3699 -12.3699 -12.3040 -12.3040 -12.1063 -12.1063 -12.0398 -12.0398 -12.0368 -12.0368 -12.0150 -12.0150 -11.4683 -11.4683 -11.4622 -11.4622 -11.2128 -11.2128 -11.2035 -11.2035 -11.1975 -11.1975 -11.1904 -11.1904 -7.5550 -7.5550 -7.5064 -7.5064 1.5205 1.5205 1.5649 1.5649 1.6633 1.6633 1.7426 1.7426 1.9278 1.9278 2.2358 2.2358 4.1886 4.1886 5.9377 5.9377 6.1537 6.1537 6.6595 6.6595 6.7077 6.7077 k = 0.2419 0.1397-0.0000 ( 7114 PWs) bands (ev): -28.6697 -28.6697 -28.6593 -28.6593 -27.7931 -27.7931 -27.7928 -27.7928 -12.3702 -12.3702 -12.3041 -12.3041 -12.1067 -12.1067 -12.0401 -12.0401 -12.0368 -12.0368 -12.0154 -12.0154 -11.4680 -11.4680 -11.4626 -11.4626 -11.2124 -11.2124 -11.2042 -11.2042 -11.1976 -11.1976 -11.1909 -11.1909 -7.5511 -7.5511 -7.5054 -7.5054 1.4899 1.4899 1.5790 1.5790 1.6575 1.6575 1.7457 1.7457 1.9281 1.9281 2.2215 2.2215 4.2712 4.2712 5.9220 5.9220 6.1814 6.1814 6.6161 6.6161 6.7024 6.7024 k = 0.2581 0.1490-0.0000 ( 7120 PWs) bands (ev): -28.6697 -28.6697 -28.6594 -28.6594 -27.7931 -27.7931 -27.7928 -27.7928 -12.3704 -12.3704 -12.3041 -12.3041 -12.1071 -12.1071 -12.0404 -12.0404 -12.0367 -12.0367 -12.0158 -12.0158 -11.4679 -11.4679 -11.4627 -11.4627 -11.2119 -11.2119 -11.2051 -11.2051 -11.1978 -11.1978 -11.1913 -11.1913 -7.5472 -7.5472 -7.5043 -7.5043 1.4597 1.4597 1.5935 1.5935 1.6529 1.6529 1.7490 1.7490 1.9285 1.9285 2.2067 2.2067 4.3539 4.3539 5.8973 5.8973 6.2176 6.2176 6.5713 6.5713 6.6976 6.6976 k = 0.2742 0.1583-0.0000 ( 7120 PWs) bands (ev): -28.6696 -28.6696 -28.6594 -28.6594 -27.7931 -27.7931 -27.7928 -27.7928 -12.3707 -12.3707 -12.3042 -12.3042 -12.1076 -12.1076 -12.0407 -12.0407 -12.0367 -12.0367 -12.0161 -12.0161 -11.4680 -11.4680 -11.4627 -11.4627 -11.2116 -11.2116 -11.2058 -11.2058 -11.1980 -11.1980 -11.1916 -11.1916 -7.5432 -7.5432 -7.5033 -7.5033 1.4307 1.4307 1.6067 1.6067 1.6507 1.6507 1.7525 1.7525 1.9288 1.9288 2.1915 2.1915 4.4359 4.4359 5.8680 5.8680 6.2578 6.2578 6.5261 6.5261 6.6939 6.6939 k = 0.2903 0.1676-0.0000 ( 7134 PWs) bands (ev): -28.6696 -28.6696 -28.6594 -28.6594 -27.7931 -27.7931 -27.7928 -27.7928 -12.3709 -12.3709 -12.3042 -12.3042 -12.1080 -12.1080 -12.0411 -12.0411 -12.0367 -12.0367 -12.0165 -12.0165 -11.4683 -11.4683 -11.4625 -11.4625 -11.2113 -11.2113 -11.2066 -11.2066 -11.1982 -11.1982 -11.1919 -11.1919 -7.5393 -7.5393 -7.5023 -7.5023 1.4031 1.4031 1.6158 1.6158 1.6536 1.6536 1.7560 1.7560 1.9292 1.9292 2.1759 2.1759 4.5165 4.5165 5.8368 5.8368 6.2985 6.2985 6.4814 6.4814 6.6923 6.6923 k = 0.3065 0.1769-0.0000 ( 7132 PWs) bands (ev): -28.6696 -28.6696 -28.6594 -28.6594 -27.7931 -27.7931 -27.7928 -27.7928 -12.3712 -12.3712 -12.3043 -12.3043 -12.1085 -12.1085 -12.0414 -12.0414 -12.0367 -12.0367 -12.0168 -12.0168 -11.4687 -11.4687 -11.4621 -11.4621 -11.2111 -11.2111 -11.2072 -11.2072 -11.1984 -11.1984 -11.1921 -11.1921 -7.5354 -7.5354 -7.5014 -7.5014 1.3771 1.3771 1.6186 1.6186 1.6635 1.6635 1.7595 1.7595 1.9295 1.9295 2.1600 2.1600 4.5951 4.5951 5.8059 5.8059 6.3366 6.3366 6.4378 6.4378 6.6943 6.6943 k = 0.3226 0.1862-0.0000 ( 7132 PWs) bands (ev): -28.6696 -28.6696 -28.6594 -28.6594 -27.7931 -27.7931 -27.7928 -27.7928 -12.3714 -12.3714 -12.3043 -12.3043 -12.1089 -12.1089 -12.0417 -12.0417 -12.0366 -12.0366 -12.0172 -12.0172 -11.4692 -11.4692 -11.4617 -11.4617 -11.2111 -11.2111 -11.2076 -11.2076 -11.1987 -11.1987 -11.1923 -11.1923 -7.5317 -7.5317 -7.5005 -7.5005 1.3530 1.3530 1.6174 1.6174 1.6781 1.6781 1.7631 1.7631 1.9297 1.9297 2.1438 2.1438 4.6708 4.6708 5.7767 5.7767 6.3684 6.3684 6.3963 6.3963 6.7020 6.7020 k = 0.3387 0.1956-0.0000 ( 7130 PWs) bands (ev): -28.6696 -28.6696 -28.6594 -28.6594 -27.7931 -27.7931 -27.7928 -27.7928 -12.3716 -12.3716 -12.3043 -12.3043 -12.1093 -12.1093 -12.0419 -12.0419 -12.0366 -12.0366 -12.0175 -12.0175 -11.4697 -11.4697 -11.4612 -11.4612 -11.2114 -11.2114 -11.2077 -11.2077 -11.1989 -11.1989 -11.1924 -11.1924 -7.5281 -7.5281 -7.4998 -7.4998 1.3307 1.3307 1.6147 1.6147 1.6946 1.6946 1.7668 1.7668 1.9299 1.9299 2.1275 2.1275 4.7426 4.7426 5.7508 5.7508 6.3552 6.3552 6.3933 6.3933 6.7174 6.7174 k = 0.3548 0.2049-0.0000 ( 7128 PWs) bands (ev): -28.6695 -28.6695 -28.6594 -28.6594 -27.7931 -27.7931 -27.7928 -27.7928 -12.3718 -12.3718 -12.3044 -12.3044 -12.1096 -12.1096 -12.0422 -12.0422 -12.0366 -12.0366 -12.0178 -12.0178 -11.4702 -11.4702 -11.4607 -11.4607 -11.2119 -11.2119 -11.2076 -11.2076 -11.1992 -11.1992 -11.1925 -11.1925 -7.5246 -7.5246 -7.4992 -7.4992 1.3104 1.3104 1.6117 1.6117 1.7116 1.7116 1.7706 1.7706 1.9301 1.9301 2.1112 2.1112 4.8094 4.8094 5.7292 5.7292 6.3182 6.3182 6.4060 6.4060 6.7415 6.7415 k = 0.3710 0.2142-0.0000 ( 7132 PWs) bands (ev): -28.6695 -28.6695 -28.6594 -28.6594 -27.7931 -27.7931 -27.7928 -27.7928 -12.3720 -12.3720 -12.3044 -12.3044 -12.1100 -12.1100 -12.0425 -12.0425 -12.0366 -12.0366 -12.0180 -12.0180 -11.4707 -11.4707 -11.4603 -11.4603 -11.2125 -11.2125 -11.2074 -11.2074 -11.1995 -11.1995 -11.1925 -11.1925 -7.5213 -7.5213 -7.4987 -7.4987 1.2921 1.2921 1.6087 1.6087 1.7283 1.7283 1.7748 1.7748 1.9302 1.9302 2.0948 2.0948 4.8701 4.8701 5.7130 5.7130 6.2839 6.2839 6.4085 6.4085 6.7736 6.7736 k = 0.3871 0.2235-0.0000 ( 7134 PWs) bands (ev): -28.6695 -28.6695 -28.6594 -28.6594 -27.7932 -27.7932 -27.7928 -27.7928 -12.3722 -12.3722 -12.3044 -12.3044 -12.1103 -12.1103 -12.0427 -12.0427 -12.0366 -12.0366 -12.0183 -12.0183 -11.4712 -11.4712 -11.4598 -11.4598 -11.2131 -11.2131 -11.2072 -11.2072 -11.1997 -11.1997 -11.1926 -11.1926 -7.5182 -7.5182 -7.4983 -7.4983 1.2758 1.2758 1.6059 1.6059 1.7438 1.7438 1.7802 1.7802 1.9302 1.9302 2.0787 2.0787 4.9237 4.9237 5.7032 5.7032 6.2529 6.2529 6.4024 6.4024 6.8113 6.8113 k = 0.4032 0.2328-0.0000 ( 7136 PWs) bands (ev): -28.6695 -28.6695 -28.6594 -28.6594 -27.7932 -27.7932 -27.7928 -27.7928 -12.3724 -12.3724 -12.3045 -12.3045 -12.1105 -12.1105 -12.0429 -12.0429 -12.0366 -12.0366 -12.0185 -12.0185 -11.4716 -11.4716 -11.4595 -11.4595 -11.2136 -11.2136 -11.2069 -11.2069 -11.1999 -11.1999 -11.1926 -11.1926 -7.5154 -7.5154 -7.4981 -7.4981 1.2617 1.2617 1.6035 1.6035 1.7563 1.7563 1.7878 1.7878 1.9301 1.9301 2.0628 2.0628 4.9692 4.9692 5.6999 5.6999 6.2254 6.2254 6.3901 6.3901 6.8521 6.8521 k = 0.4194 0.2421-0.0000 ( 7144 PWs) bands (ev): -28.6695 -28.6695 -28.6594 -28.6594 -27.7932 -27.7932 -27.7928 -27.7928 -12.3725 -12.3725 -12.3045 -12.3045 -12.1108 -12.1108 -12.0430 -12.0430 -12.0366 -12.0366 -12.0187 -12.0187 -11.4720 -11.4720 -11.4591 -11.4591 -11.2141 -11.2141 -11.2066 -11.2066 -11.2002 -11.2002 -11.1926 -11.1926 -7.5128 -7.5128 -7.4981 -7.4981 1.2497 1.2497 1.6014 1.6014 1.7647 1.7647 1.7986 1.7986 1.9298 1.9298 2.0477 2.0477 5.0061 5.0061 5.7030 5.7030 6.2017 6.2017 6.3737 6.3737 6.8938 6.8938 k = 0.4355 0.2514-0.0000 ( 7144 PWs) bands (ev): -28.6695 -28.6695 -28.6594 -28.6594 -27.7932 -27.7932 -27.7928 -27.7928 -12.3726 -12.3726 -12.3045 -12.3045 -12.1110 -12.1110 -12.0432 -12.0432 -12.0366 -12.0366 -12.0188 -12.0188 -11.4723 -11.4723 -11.4588 -11.4588 -11.2146 -11.2146 -11.2064 -11.2064 -11.2003 -11.2003 -11.1926 -11.1926 -7.5106 -7.5106 -7.4982 -7.4982 1.2399 1.2399 1.5997 1.5997 1.7696 1.7696 1.8114 1.8114 1.9294 1.9294 2.0336 2.0336 5.0346 5.0346 5.7111 5.7111 6.1821 6.1821 6.3555 6.3555 6.9349 6.9349 k = 0.4516 0.2607-0.0000 ( 7150 PWs) bands (ev): -28.6695 -28.6695 -28.6594 -28.6594 -27.7932 -27.7932 -27.7929 -27.7929 -12.3727 -12.3727 -12.3046 -12.3046 -12.1111 -12.1111 -12.0433 -12.0433 -12.0366 -12.0366 -12.0189 -12.0189 -11.4726 -11.4726 -11.4586 -11.4586 -11.2149 -11.2149 -11.2062 -11.2062 -11.2005 -11.2005 -11.1926 -11.1926 -7.5086 -7.5086 -7.4984 -7.4984 1.2322 1.2322 1.5983 1.5983 1.7726 1.7726 1.8241 1.8241 1.9287 1.9287 2.0211 2.0211 5.0552 5.0552 5.7221 5.7221 6.1666 6.1666 6.3377 6.3377 6.9743 6.9743 k = 0.4677 0.2701-0.0000 ( 7138 PWs) bands (ev): -28.6695 -28.6695 -28.6594 -28.6594 -27.7932 -27.7932 -27.7928 -27.7928 -12.3727 -12.3727 -12.3046 -12.3046 -12.1112 -12.1112 -12.0434 -12.0434 -12.0365 -12.0365 -12.0190 -12.0190 -11.4727 -11.4727 -11.4584 -11.4584 -11.2152 -11.2152 -11.2061 -11.2061 -11.2006 -11.2006 -11.1926 -11.1926 -7.5070 -7.5070 -7.4987 -7.4987 1.2267 1.2267 1.5974 1.5974 1.7745 1.7745 1.8350 1.8350 1.9279 1.9279 2.0111 2.0111 5.0688 5.0688 5.7331 5.7331 6.1554 6.1554 6.3226 6.3226 7.0114 7.0114 k = 0.4839 0.2794-0.0000 ( 7146 PWs) bands (ev): -28.6695 -28.6695 -28.6594 -28.6594 -27.7932 -27.7932 -27.7929 -27.7929 -12.3728 -12.3728 -12.3046 -12.3046 -12.1113 -12.1113 -12.0434 -12.0434 -12.0365 -12.0365 -12.0191 -12.0191 -11.4728 -11.4728 -11.4583 -11.4583 -11.2153 -11.2153 -11.2060 -11.2060 -11.2007 -11.2007 -11.1926 -11.1926 -7.5060 -7.5060 -7.4990 -7.4990 1.2234 1.2234 1.5968 1.5968 1.7755 1.7755 1.8424 1.8424 1.9272 1.9272 2.0045 2.0045 5.0765 5.0765 5.7412 5.7412 6.1487 6.1487 6.3124 6.3124 7.0455 7.0455 k = 0.5000 0.2887-0.0000 ( 7140 PWs) bands (ev): -28.6695 -28.6695 -28.6594 -28.6594 -27.7932 -27.7932 -27.7929 -27.7929 -12.3728 -12.3728 -12.3046 -12.3046 -12.1113 -12.1113 -12.0434 -12.0434 -12.0365 -12.0365 -12.0191 -12.0191 -11.4729 -11.4729 -11.4583 -11.4583 -11.2154 -11.2154 -11.2060 -11.2060 -11.2007 -11.2007 -11.1926 -11.1926 -7.5056 -7.5056 -7.4991 -7.4991 1.2223 1.2223 1.5966 1.5966 1.7758 1.7758 1.8451 1.8451 1.9269 1.9269 2.0022 2.0022 5.0790 5.0790 5.7442 5.7442 6.1464 6.1464 6.3088 6.3088 7.0669 7.0676 k = 0.5000 0.2887-0.0000 ( 7140 PWs) bands (ev): -28.6695 -28.6695 -28.6594 -28.6594 -27.7932 -27.7932 -27.7929 -27.7929 -12.3728 -12.3728 -12.3046 -12.3046 -12.1113 -12.1113 -12.0434 -12.0434 -12.0365 -12.0365 -12.0191 -12.0191 -11.4729 -11.4729 -11.4583 -11.4583 -11.2154 -11.2154 -11.2060 -11.2060 -11.2007 -11.2007 -11.1926 -11.1926 -7.5056 -7.5056 -7.4991 -7.4991 1.2223 1.2223 1.5966 1.5966 1.7758 1.7758 1.8451 1.8451 1.9269 1.9269 2.0022 2.0022 5.0790 5.0790 5.7442 5.7442 6.1464 6.1464 6.3088 6.3088 7.0672 7.0678 k = 0.4907 0.3047-0.0000 ( 7142 PWs) bands (ev): -28.6695 -28.6695 -28.6594 -28.6594 -27.7932 -27.7932 -27.7929 -27.7929 -12.3728 -12.3728 -12.3046 -12.3046 -12.1113 -12.1113 -12.0435 -12.0435 -12.0365 -12.0365 -12.0191 -12.0191 -11.4728 -11.4728 -11.4583 -11.4583 -11.2153 -11.2153 -11.2060 -11.2060 -11.2007 -11.2007 -11.1926 -11.1926 -7.5056 -7.5056 -7.4991 -7.4991 1.2232 1.2232 1.5964 1.5964 1.7745 1.7745 1.8453 1.8453 1.9268 1.9268 2.0021 2.0021 5.0800 5.0800 5.7460 5.7460 6.1425 6.1425 6.3090 6.3090 7.0692 7.0697 k = 0.4815 0.3208-0.0000 ( 7148 PWs) bands (ev): -28.6695 -28.6695 -28.6594 -28.6594 -27.7932 -27.7932 -27.7929 -27.7929 -12.3728 -12.3728 -12.3046 -12.3046 -12.1114 -12.1114 -12.0435 -12.0435 -12.0366 -12.0366 -12.0191 -12.0191 -11.4728 -11.4728 -11.4584 -11.4584 -11.2152 -11.2152 -11.2061 -11.2061 -11.2006 -11.2006 -11.1927 -11.1927 -7.5054 -7.5054 -7.4990 -7.4990 1.2258 1.2258 1.5959 1.5959 1.7708 1.7708 1.8458 1.8458 1.9265 1.9265 2.0018 2.0018 5.0829 5.0829 5.7515 5.7515 6.1311 6.1311 6.3093 6.3093 7.0686 7.0686 k = 0.4722 0.3368-0.0000 ( 7146 PWs) bands (ev): -28.6695 -28.6695 -28.6594 -28.6594 -27.7932 -27.7932 -27.7929 -27.7929 -12.3728 -12.3728 -12.3046 -12.3046 -12.1114 -12.1114 -12.0435 -12.0435 -12.0366 -12.0366 -12.0192 -12.0192 -11.4726 -11.4726 -11.4586 -11.4586 -11.2151 -11.2151 -11.2063 -11.2063 -11.2006 -11.2006 -11.1928 -11.1928 -7.5052 -7.5052 -7.4988 -7.4988 1.2301 1.2301 1.5950 1.5950 1.7645 1.7645 1.8467 1.8467 1.9260 1.9260 2.0013 2.0013 5.0874 5.0874 5.7606 5.7606 6.1132 6.1132 6.3100 6.3100 7.0731 7.0732 k = 0.4630 0.3528-0.0000 ( 7150 PWs) bands (ev): -28.6695 -28.6695 -28.6594 -28.6594 -27.7932 -27.7932 -27.7929 -27.7929 -12.3728 -12.3728 -12.3046 -12.3046 -12.1114 -12.1114 -12.0436 -12.0436 -12.0366 -12.0366 -12.0192 -12.0192 -11.4724 -11.4724 -11.4588 -11.4588 -11.2149 -11.2149 -11.2065 -11.2065 -11.2005 -11.2005 -11.1929 -11.1929 -7.5049 -7.5049 -7.4986 -7.4986 1.2360 1.2360 1.5938 1.5938 1.7559 1.7559 1.8481 1.8481 1.9254 1.9254 2.0006 2.0006 5.0935 5.0935 5.7733 5.7733 6.0901 6.0901 6.3110 6.3110 7.0589 7.0589 k = 0.4537 0.3689-0.0000 ( 7146 PWs) bands (ev): -28.6695 -28.6695 -28.6594 -28.6594 -27.7932 -27.7932 -27.7929 -27.7929 -12.3728 -12.3728 -12.3047 -12.3047 -12.1114 -12.1114 -12.0437 -12.0437 -12.0366 -12.0366 -12.0193 -12.0193 -11.4721 -11.4721 -11.4590 -11.4590 -11.2146 -11.2146 -11.2068 -11.2068 -11.2005 -11.2005 -11.1930 -11.1930 -7.5046 -7.5046 -7.4983 -7.4983 1.2436 1.2436 1.5922 1.5922 1.7449 1.7449 1.8501 1.8501 1.9247 1.9247 1.9996 1.9996 5.1008 5.1008 5.7894 5.7894 6.0631 6.0631 6.3124 6.3124 7.0422 7.0422 k = 0.4444 0.3849-0.0000 ( 7148 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7932 -27.7932 -27.7929 -27.7929 -12.3729 -12.3729 -12.3047 -12.3047 -12.1114 -12.1114 -12.0438 -12.0438 -12.0366 -12.0366 -12.0194 -12.0194 -11.4718 -11.4718 -11.4593 -11.4593 -11.2143 -11.2143 -11.2071 -11.2071 -11.2006 -11.2006 -11.1932 -11.1932 -7.5041 -7.5041 -7.4980 -7.4980 1.2526 1.2526 1.5903 1.5903 1.7320 1.7320 1.8526 1.8526 1.9239 1.9239 1.9983 1.9983 5.1089 5.1089 5.8089 5.8089 6.0337 6.0337 6.3141 6.3141 7.0243 7.0243 k = 0.4352 0.4009-0.0000 ( 7128 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7931 -27.7931 -27.7929 -27.7929 -12.3729 -12.3729 -12.3047 -12.3047 -12.1114 -12.1114 -12.0439 -12.0439 -12.0367 -12.0367 -12.0195 -12.0195 -11.4714 -11.4714 -11.4597 -11.4597 -11.2139 -11.2139 -11.2073 -11.2073 -11.2008 -11.2008 -11.1932 -11.1932 -7.5036 -7.5036 -7.4976 -7.4976 1.2631 1.2631 1.5881 1.5881 1.7172 1.7172 1.8557 1.8557 1.9230 1.9230 1.9966 1.9966 5.1175 5.1175 5.8314 5.8314 6.0031 6.0031 6.3161 6.3161 7.0057 7.0057 k = 0.4259 0.4170-0.0000 ( 7140 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7931 -27.7931 -27.7929 -27.7929 -12.3729 -12.3729 -12.3047 -12.3047 -12.1114 -12.1114 -12.0441 -12.0441 -12.0367 -12.0367 -12.0196 -12.0196 -11.4710 -11.4710 -11.4600 -11.4600 -11.2134 -11.2134 -11.2076 -11.2076 -11.2010 -11.2010 -11.1933 -11.1933 -7.5031 -7.5031 -7.4973 -7.4973 1.2748 1.2748 1.5855 1.5855 1.7010 1.7010 1.8594 1.8594 1.9221 1.9221 1.9945 1.9945 5.1261 5.1261 5.8569 5.8569 5.9723 5.9723 6.3182 6.3182 6.9870 6.9870 k = 0.4167 0.4330-0.0000 ( 7138 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7931 -27.7931 -27.7929 -27.7929 -12.3729 -12.3729 -12.3048 -12.3048 -12.1114 -12.1114 -12.0442 -12.0442 -12.0367 -12.0367 -12.0197 -12.0197 -11.4705 -11.4705 -11.4604 -11.4604 -11.2130 -11.2130 -11.2078 -11.2078 -11.2014 -11.2014 -11.1933 -11.1933 -7.5025 -7.5025 -7.4969 -7.4969 1.2876 1.2876 1.5826 1.5826 1.6838 1.6838 1.8636 1.8636 1.9213 1.9213 1.9920 1.9920 5.1345 5.1345 5.8851 5.8851 5.9423 5.9423 6.3199 6.3199 6.9685 6.9685 k = 0.4074 0.4491-0.0000 ( 7140 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7931 -27.7931 -27.7929 -27.7929 -12.3730 -12.3730 -12.3048 -12.3048 -12.1114 -12.1114 -12.0443 -12.0443 -12.0368 -12.0368 -12.0199 -12.0199 -11.4700 -11.4700 -11.4609 -11.4609 -11.2125 -11.2125 -11.2080 -11.2080 -11.2019 -11.2019 -11.1933 -11.1933 -7.5019 -7.5019 -7.4965 -7.4965 1.3013 1.3013 1.5793 1.5793 1.6660 1.6660 1.8684 1.8684 1.9206 1.9206 1.9890 1.9890 5.1423 5.1423 5.9134 5.9134 5.9162 5.9162 6.3209 6.3209 6.9506 6.9506 k = 0.3981 0.4651-0.0000 ( 7140 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7931 -27.7931 -27.7929 -27.7929 -12.3730 -12.3730 -12.3048 -12.3048 -12.1114 -12.1114 -12.0445 -12.0445 -12.0368 -12.0368 -12.0200 -12.0200 -11.4696 -11.4696 -11.4613 -11.4613 -11.2120 -11.2120 -11.2081 -11.2081 -11.2025 -11.2025 -11.1932 -11.1932 -7.5012 -7.5012 -7.4962 -7.4962 1.3157 1.3157 1.5756 1.5756 1.6481 1.6481 1.8736 1.8736 1.9200 1.9200 1.9854 1.9854 5.1492 5.1492 5.8873 5.8873 5.9486 5.9486 6.3203 6.3203 6.9336 6.9336 k = 0.3889 0.4811-0.0000 ( 7140 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7931 -27.7931 -27.7929 -27.7929 -12.3730 -12.3730 -12.3049 -12.3049 -12.1115 -12.1115 -12.0446 -12.0446 -12.0368 -12.0368 -12.0201 -12.0201 -11.4691 -11.4691 -11.4618 -11.4618 -11.2114 -11.2114 -11.2083 -11.2083 -11.2031 -11.2031 -11.1931 -11.1931 -7.5006 -7.5006 -7.4959 -7.4959 1.3303 1.3303 1.5713 1.5713 1.6309 1.6309 1.8791 1.8791 1.9198 1.9198 1.9811 1.9811 5.1552 5.1552 5.8635 5.8635 5.9832 5.9832 6.3173 6.3173 6.9178 6.9179 k = 0.3796 0.4972-0.0000 ( 7132 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7931 -27.7931 -27.7929 -27.7929 -12.3730 -12.3730 -12.3049 -12.3049 -12.1115 -12.1115 -12.0447 -12.0447 -12.0368 -12.0368 -12.0202 -12.0202 -11.4686 -11.4686 -11.4622 -11.4622 -11.2109 -11.2109 -11.2083 -11.2083 -11.2038 -11.2038 -11.1931 -11.1931 -7.4999 -7.4999 -7.4957 -7.4957 1.3448 1.3448 1.5663 1.5663 1.6152 1.6152 1.8850 1.8850 1.9199 1.9199 1.9762 1.9762 5.1601 5.1601 5.8426 5.8426 6.0193 6.0193 6.3111 6.3111 6.9036 6.9036 k = 0.3704 0.5132-0.0000 ( 7122 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7930 -27.7930 -27.7929 -27.7929 -12.3731 -12.3731 -12.3049 -12.3049 -12.1115 -12.1115 -12.0448 -12.0448 -12.0368 -12.0368 -12.0203 -12.0203 -11.4681 -11.4681 -11.4627 -11.4627 -11.2104 -11.2104 -11.2084 -11.2084 -11.2045 -11.2045 -11.1930 -11.1930 -7.4993 -7.4993 -7.4955 -7.4955 1.3585 1.3585 1.5604 1.5604 1.6020 1.6020 1.8908 1.8908 1.9207 1.9207 1.9706 1.9706 5.1640 5.1640 5.8250 5.8250 6.0565 6.0565 6.3006 6.3006 6.8913 6.8913 k = 0.3611 0.5292-0.0000 ( 7119 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7930 -27.7930 -27.7930 -27.7930 -12.3731 -12.3731 -12.3049 -12.3049 -12.1115 -12.1115 -12.0449 -12.0449 -12.0368 -12.0368 -12.0203 -12.0203 -11.4677 -11.4677 -11.4630 -11.4630 -11.2098 -11.2098 -11.2084 -11.2084 -11.2052 -11.2052 -11.1929 -11.1929 -7.4987 -7.4987 -7.4954 -7.4954 1.3707 1.3707 1.5538 1.5538 1.5919 1.5919 1.8961 1.8961 1.9224 1.9224 1.9643 1.9643 5.1668 5.1668 5.8110 5.8110 6.0941 6.0941 6.2851 6.2851 6.8811 6.8811 k = 0.3519 0.5453-0.0000 ( 7121 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7930 -27.7930 -27.7930 -27.7930 -12.3731 -12.3731 -12.3050 -12.3050 -12.1115 -12.1115 -12.0450 -12.0450 -12.0369 -12.0369 -12.0204 -12.0204 -11.4674 -11.4674 -11.4634 -11.4634 -11.2094 -11.2094 -11.2084 -11.2084 -11.2058 -11.2058 -11.1929 -11.1929 -7.4982 -7.4982 -7.4954 -7.4954 1.3804 1.3804 1.5476 1.5476 1.5851 1.5851 1.9004 1.9004 1.9256 1.9256 1.9574 1.9574 5.1688 5.1688 5.8009 5.8009 6.1318 6.1318 6.2640 6.2640 6.8735 6.8735 k = 0.3426 0.5613-0.0000 ( 7117 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7930 -27.7930 -27.7930 -27.7930 -12.3731 -12.3731 -12.3050 -12.3050 -12.1115 -12.1115 -12.0450 -12.0450 -12.0368 -12.0368 -12.0204 -12.0204 -11.4672 -11.4672 -11.4635 -11.4635 -11.2090 -11.2090 -11.2084 -11.2084 -11.2062 -11.2062 -11.1928 -11.1928 -7.4978 -7.4978 -7.4955 -7.4955 1.3866 1.3866 1.5433 1.5433 1.5811 1.5811 1.9031 1.9031 1.9302 1.9302 1.9506 1.9506 5.1699 5.1699 5.7947 5.7947 6.1689 6.1689 6.2372 6.2372 6.8687 6.8687 k = 0.3333 0.5774-0.0000 ( 7113 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7930 -27.7930 -27.7930 -27.7930 -12.3731 -12.3731 -12.3050 -12.3050 -12.1115 -12.1115 -12.0450 -12.0450 -12.0369 -12.0369 -12.0204 -12.0204 -11.4671 -11.4671 -11.4636 -11.4636 -11.2087 -11.2087 -11.2085 -11.2085 -11.2064 -11.2064 -11.1928 -11.1928 -7.4976 -7.4976 -7.4955 -7.4955 1.3886 1.3886 1.5419 1.5419 1.5798 1.5798 1.9040 1.9040 1.9335 1.9335 1.9465 1.9465 5.1703 5.1703 5.7926 5.7926 6.2026 6.2026 6.2070 6.2070 6.8671 6.8671 k = 0.3333 0.5774-0.0000 ( 7113 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7930 -27.7930 -27.7930 -27.7930 -12.3731 -12.3731 -12.3050 -12.3050 -12.1115 -12.1115 -12.0450 -12.0450 -12.0369 -12.0369 -12.0204 -12.0204 -11.4671 -11.4671 -11.4636 -11.4636 -11.2087 -11.2087 -11.2085 -11.2085 -11.2064 -11.2064 -11.1928 -11.1928 -7.4976 -7.4976 -7.4955 -7.4955 1.3886 1.3886 1.5419 1.5419 1.5798 1.5798 1.9040 1.9040 1.9335 1.9335 1.9465 1.9465 5.1703 5.1703 5.7926 5.7926 6.2026 6.2026 6.2070 6.2070 6.8671 6.8671 k = 0.3241 0.5613-0.0000 ( 7115 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7930 -27.7930 -27.7930 -27.7930 -12.3731 -12.3731 -12.3050 -12.3050 -12.1115 -12.1115 -12.0450 -12.0450 -12.0369 -12.0369 -12.0204 -12.0204 -11.4672 -11.4672 -11.4636 -11.4636 -11.2090 -11.2090 -11.2084 -11.2084 -11.2062 -11.2062 -11.1928 -11.1928 -7.4978 -7.4978 -7.4955 -7.4955 1.3868 1.3868 1.5429 1.5429 1.5813 1.5813 1.9029 1.9029 1.9299 1.9299 1.9511 1.9511 5.1699 5.1699 5.7947 5.7947 6.1674 6.1674 6.2387 6.2387 6.8687 6.8687 k = 0.3148 0.5453-0.0000 ( 7119 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7930 -27.7930 -27.7930 -27.7930 -12.3731 -12.3731 -12.3049 -12.3049 -12.1115 -12.1115 -12.0450 -12.0450 -12.0369 -12.0369 -12.0204 -12.0204 -11.4673 -11.4673 -11.4634 -11.4634 -11.2094 -11.2094 -11.2082 -11.2082 -11.2059 -11.2059 -11.1929 -11.1929 -7.4983 -7.4983 -7.4953 -7.4953 1.3820 1.3820 1.5450 1.5450 1.5863 1.5863 1.8988 1.8988 1.9247 1.9247 1.9599 1.9599 5.1686 5.1686 5.8010 5.8010 6.1258 6.1258 6.2699 6.2699 6.8735 6.8735 k = 0.3056 0.5292-0.0000 ( 7131 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7930 -27.7930 -27.7930 -27.7930 -12.3731 -12.3731 -12.3049 -12.3049 -12.1115 -12.1115 -12.0449 -12.0449 -12.0368 -12.0368 -12.0203 -12.0203 -11.4675 -11.4675 -11.4632 -11.4632 -11.2099 -11.2099 -11.2080 -11.2080 -11.2054 -11.2054 -11.1929 -11.1929 -7.4992 -7.4992 -7.4951 -7.4951 1.3755 1.3755 1.5469 1.5469 1.5947 1.5947 1.8910 1.8910 1.9214 1.9214 1.9702 1.9702 5.1662 5.1662 5.8116 5.8116 6.0811 6.0811 6.2978 6.2978 6.8805 6.8805 k = 0.2963 0.5132-0.0000 ( 7131 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7931 -27.7931 -27.7930 -27.7930 -12.3730 -12.3730 -12.3049 -12.3049 -12.1114 -12.1114 -12.0448 -12.0448 -12.0368 -12.0368 -12.0202 -12.0202 -11.4678 -11.4678 -11.4630 -11.4630 -11.2103 -11.2103 -11.2079 -11.2079 -11.2049 -11.2049 -11.1930 -11.1930 -7.5003 -7.5003 -7.4950 -7.4950 1.3686 1.3686 1.5483 1.5483 1.6058 1.6058 1.8800 1.8800 1.9201 1.9201 1.9813 1.9813 5.1623 5.1623 5.8263 5.8263 6.0346 6.0346 6.3219 6.3219 6.8876 6.8876 k = 0.2870 0.4972-0.0000 ( 7123 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7931 -27.7931 -27.7929 -27.7929 -12.3730 -12.3730 -12.3049 -12.3049 -12.1114 -12.1114 -12.0447 -12.0447 -12.0368 -12.0368 -12.0201 -12.0201 -11.4679 -11.4679 -11.4629 -11.4629 -11.2106 -11.2106 -11.2078 -11.2078 -11.2044 -11.2044 -11.1930 -11.1930 -7.5017 -7.5017 -7.4949 -7.4949 1.3619 1.3619 1.5495 1.5495 1.6186 1.6186 1.8671 1.8671 1.9197 1.9197 1.9932 1.9932 5.1561 5.1561 5.8452 5.8452 5.9878 5.9878 6.3418 6.3418 6.8911 6.8911 k = 0.2778 0.4811-0.0000 ( 7127 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7931 -27.7931 -27.7929 -27.7929 -12.3729 -12.3729 -12.3049 -12.3049 -12.1113 -12.1113 -12.0445 -12.0445 -12.0368 -12.0368 -12.0200 -12.0200 -11.4681 -11.4681 -11.4627 -11.4627 -11.2109 -11.2109 -11.2078 -11.2078 -11.2039 -11.2039 -11.1931 -11.1931 -7.5033 -7.5033 -7.4949 -7.4949 1.3562 1.3562 1.5507 1.5507 1.6320 1.6320 1.8528 1.8528 1.9199 1.9199 2.0056 2.0056 5.1466 5.1466 5.8681 5.8681 5.9424 5.9424 6.3573 6.3573 6.8866 6.8866 k = 0.2685 0.4651-0.0000 ( 7127 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7931 -27.7931 -27.7929 -27.7929 -12.3728 -12.3728 -12.3048 -12.3048 -12.1111 -12.1111 -12.0443 -12.0443 -12.0368 -12.0368 -12.0198 -12.0198 -11.4682 -11.4682 -11.4627 -11.4627 -11.2110 -11.2110 -11.2077 -11.2077 -11.2033 -11.2033 -11.1932 -11.1932 -7.5052 -7.5052 -7.4950 -7.4950 1.3518 1.3518 1.5522 1.5522 1.6454 1.6454 1.8374 1.8374 1.9204 1.9204 2.0185 2.0185 5.1326 5.1326 5.8948 5.8948 5.9006 5.9006 6.3685 6.3685 6.8725 6.8725 k = 0.2593 0.4491-0.0000 ( 7125 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7931 -27.7931 -27.7929 -27.7929 -12.3727 -12.3727 -12.3048 -12.3048 -12.1110 -12.1110 -12.0441 -12.0441 -12.0368 -12.0368 -12.0196 -12.0196 -11.4682 -11.4682 -11.4626 -11.4626 -11.2111 -11.2111 -11.2078 -11.2078 -11.2027 -11.2027 -11.1933 -11.1933 -7.5073 -7.5073 -7.4952 -7.4952 1.3492 1.3492 1.5541 1.5541 1.6584 1.6584 1.8213 1.8213 1.9209 1.9209 2.0319 2.0319 5.1127 5.1127 5.8639 5.8639 5.9254 5.9254 6.3754 6.3754 6.8514 6.8514 k = 0.2500 0.4330-0.0000 ( 7117 PWs) bands (ev): -28.6694 -28.6694 -28.6593 -28.6593 -27.7931 -27.7931 -27.7929 -27.7929 -12.3726 -12.3726 -12.3047 -12.3047 -12.1108 -12.1108 -12.0439 -12.0439 -12.0368 -12.0368 -12.0194 -12.0194 -11.4682 -11.4682 -11.4626 -11.4626 -11.2111 -11.2111 -11.2079 -11.2079 -11.2021 -11.2021 -11.1934 -11.1934 -7.5096 -7.5096 -7.4954 -7.4954 1.3485 1.3485 1.5565 1.5565 1.6706 1.6706 1.8046 1.8046 1.9215 1.9215 2.0457 2.0457 5.0854 5.0854 5.8346 5.8346 5.9595 5.9595 6.3779 6.3779 6.8262 6.8262 k = 0.2407 0.4170-0.0000 ( 7135 PWs) bands (ev): -28.6695 -28.6695 -28.6594 -28.6594 -27.7931 -27.7931 -27.7929 -27.7929 -12.3725 -12.3725 -12.3047 -12.3047 -12.1106 -12.1106 -12.0436 -12.0436 -12.0368 -12.0368 -12.0191 -12.0191 -11.4681 -11.4681 -11.4627 -11.4627 -11.2110 -11.2110 -11.2080 -11.2080 -11.2015 -11.2015 -11.1935 -11.1935 -7.5122 -7.5122 -7.4958 -7.4958 1.3500 1.3500 1.5594 1.5594 1.6817 1.6817 1.7875 1.7875 1.9222 1.9222 2.0599 2.0599 5.0499 5.0499 5.8139 5.8139 5.9969 5.9969 6.3760 6.3760 6.7998 6.7998 k = 0.2315 0.4009-0.0000 ( 7131 PWs) bands (ev): -28.6695 -28.6695 -28.6594 -28.6594 -27.7931 -27.7931 -27.7929 -27.7929 -12.3723 -12.3723 -12.3046 -12.3046 -12.1103 -12.1103 -12.0433 -12.0433 -12.0368 -12.0368 -12.0189 -12.0189 -11.4680 -11.4680 -11.4629 -11.4629 -11.2108 -11.2108 -11.2082 -11.2082 -11.2008 -11.2008 -11.1936 -11.1936 -7.5150 -7.5150 -7.4963 -7.4963 1.3537 1.3537 1.5628 1.5628 1.6915 1.6915 1.7704 1.7704 1.9228 1.9228 2.0743 2.0743 5.0057 5.0057 5.8026 5.8026 6.0374 6.0374 6.3695 6.3695 6.7738 6.7738 k = 0.2222 0.3849-0.0000 ( 7129 PWs) bands (ev): -28.6695 -28.6695 -28.6594 -28.6594 -27.7931 -27.7931 -27.7929 -27.7929 -12.3722 -12.3722 -12.3046 -12.3046 -12.1101 -12.1101 -12.0431 -12.0431 -12.0367 -12.0367 -12.0186 -12.0186 -11.4678 -11.4678 -11.4631 -11.4631 -11.2105 -11.2105 -11.2084 -11.2084 -11.2002 -11.2002 -11.1936 -11.1936 -7.5180 -7.5180 -7.4969 -7.4969 1.3598 1.3598 1.5667 1.5667 1.6992 1.6992 1.7538 1.7538 1.9234 1.9234 2.0891 2.0891 4.9531 4.9531 5.8005 5.8005 6.0808 6.0808 6.3581 6.3581 6.7498 6.7498 k = 0.2130 0.3689-0.0000 ( 7113 PWs) bands (ev): -28.6695 -28.6695 -28.6594 -28.6594 -27.7931 -27.7931 -27.7928 -27.7928 -12.3720 -12.3720 -12.3045 -12.3045 -12.1098 -12.1098 -12.0427 -12.0427 -12.0367 -12.0367 -12.0183 -12.0183 -11.4675 -11.4675 -11.4633 -11.4633 -11.2101 -11.2101 -11.2086 -11.2086 -11.1996 -11.1996 -11.1936 -11.1936 -7.5213 -7.5213 -7.4976 -7.4976 1.3683 1.3683 1.5710 1.5710 1.7033 1.7033 1.7396 1.7396 1.9240 1.9240 2.1040 2.1040 4.8930 4.8930 5.8069 5.8069 6.1267 6.1267 6.3414 6.3414 6.7290 6.7290 k = 0.2037 0.3528-0.0000 ( 7107 PWs) bands (ev): -28.6695 -28.6695 -28.6594 -28.6594 -27.7931 -27.7931 -27.7928 -27.7928 -12.3718 -12.3718 -12.3044 -12.3044 -12.1094 -12.1094 -12.0424 -12.0424 -12.0367 -12.0367 -12.0180 -12.0180 -11.4672 -11.4672 -11.4636 -11.4636 -11.2098 -11.2098 -11.2088 -11.2088 -11.1990 -11.1990 -11.1936 -11.1936 -7.5246 -7.5246 -7.4983 -7.4983 1.3793 1.3793 1.5758 1.5758 1.6996 1.6996 1.7321 1.7321 1.9245 1.9245 2.1191 2.1191 4.8263 4.8263 5.8207 5.8207 6.1748 6.1748 6.3196 6.3196 6.7119 6.7119 k = 0.1944 0.3368-0.0000 ( 7099 PWs) bands (ev): -28.6695 -28.6695 -28.6593 -28.6593 -27.7931 -27.7931 -27.7928 -27.7928 -12.3716 -12.3716 -12.3044 -12.3044 -12.1091 -12.1091 -12.0421 -12.0421 -12.0367 -12.0367 -12.0176 -12.0176 -11.4668 -11.4668 -11.4639 -11.4639 -11.2098 -11.2098 -11.2086 -11.2086 -11.1985 -11.1985 -11.1936 -11.1936 -7.5282 -7.5282 -7.4992 -7.4992 1.3927 1.3927 1.5809 1.5809 1.6873 1.6873 1.7321 1.7321 1.9250 1.9250 2.1343 2.1343 4.7545 4.7545 5.8407 5.8407 6.2248 6.2248 6.2929 6.2929 6.6990 6.6990 k = 0.1852 0.3208-0.0000 ( 7113 PWs) bands (ev): -28.6695 -28.6695 -28.6594 -28.6594 -27.7931 -27.7931 -27.7928 -27.7928 -12.3714 -12.3714 -12.3043 -12.3043 -12.1087 -12.1087 -12.0418 -12.0418 -12.0367 -12.0367 -12.0173 -12.0173 -11.4664 -11.4664 -11.4643 -11.4643 -11.2101 -11.2101 -11.2080 -11.2080 -11.1980 -11.1980 -11.1934 -11.1934 -7.5319 -7.5319 -7.5001 -7.5001 1.4086 1.4086 1.5860 1.5860 1.6718 1.6718 1.7345 1.7345 1.9254 1.9254 2.1495 2.1495 4.6785 4.6785 5.8655 5.8655 6.2610 6.2610 6.2770 6.2770 6.6900 6.6900 k = 0.1759 0.3047-0.0000 ( 7117 PWs) bands (ev): -28.6696 -28.6696 -28.6594 -28.6594 -27.7931 -27.7931 -27.7928 -27.7928 -12.3712 -12.3712 -12.3043 -12.3043 -12.1083 -12.1083 -12.0414 -12.0414 -12.0367 -12.0367 -12.0169 -12.0169 -11.4661 -11.4661 -11.4646 -11.4646 -11.2105 -11.2105 -11.2074 -11.2074 -11.1977 -11.1977 -11.1932 -11.1932 -7.5357 -7.5357 -7.5011 -7.5011 1.4269 1.4269 1.5908 1.5908 1.6561 1.6561 1.7371 1.7371 1.9257 1.9257 2.1647 2.1647 4.5994 4.5994 5.8940 5.8940 6.2267 6.2267 6.3290 6.3290 6.6847 6.6847 k = 0.1667 0.2887-0.0000 ( 7113 PWs) bands (ev): -28.6696 -28.6696 -28.6594 -28.6594 -27.7931 -27.7931 -27.7928 -27.7928 -12.3709 -12.3709 -12.3042 -12.3042 -12.1079 -12.1079 -12.0411 -12.0411 -12.0367 -12.0367 -12.0165 -12.0165 -11.4661 -11.4661 -11.4646 -11.4646 -11.2109 -11.2109 -11.2067 -11.2067 -11.1974 -11.1974 -11.1929 -11.1929 -7.5396 -7.5396 -7.5021 -7.5021 1.4476 1.4476 1.5942 1.5942 1.6420 1.6420 1.7392 1.7392 1.9259 1.9259 2.1797 2.1797 4.5182 4.5182 5.9250 5.9250 6.1892 6.1892 6.3820 6.3820 6.6825 6.6825 k = 0.1574 0.2726-0.0000 ( 7111 PWs) bands (ev): -28.6696 -28.6696 -28.6593 -28.6593 -27.7931 -27.7931 -27.7928 -27.7928 -12.3707 -12.3707 -12.3042 -12.3042 -12.1075 -12.1075 -12.0408 -12.0408 -12.0368 -12.0368 -12.0162 -12.0162 -11.4664 -11.4664 -11.4643 -11.4643 -11.2114 -11.2114 -11.2059 -11.2059 -11.1972 -11.1972 -11.1925 -11.1925 -7.5435 -7.5435 -7.5031 -7.5031 1.4705 1.4705 1.5937 1.5937 1.6323 1.6323 1.7405 1.7405 1.9261 1.9261 2.1946 2.1946 4.4354 4.4354 5.9575 5.9575 6.1499 6.1499 6.4351 6.4351 6.6829 6.6829 k = 0.1481 0.2566-0.0000 ( 7113 PWs) bands (ev): -28.6697 -28.6697 -28.6593 -28.6593 -27.7931 -27.7931 -27.7928 -27.7928 -12.3704 -12.3704 -12.3041 -12.3041 -12.1071 -12.1071 -12.0404 -12.0404 -12.0368 -12.0368 -12.0158 -12.0158 -11.4668 -11.4668 -11.4638 -11.4638 -11.2118 -11.2118 -11.2051 -11.2051 -11.1970 -11.1970 -11.1920 -11.1920 -7.5475 -7.5475 -7.5042 -7.5042 1.4955 1.4955 1.5864 1.5864 1.6299 1.6299 1.7413 1.7413 1.9262 1.9262 2.2093 2.2093 4.3519 4.3519 5.9906 5.9906 6.1096 6.1096 6.4875 6.4875 6.6853 6.6853 k = 0.1389 0.2406-0.0000 ( 7121 PWs) bands (ev): -28.6697 -28.6697 -28.6594 -28.6594 -27.7931 -27.7931 -27.7928 -27.7928 -12.3702 -12.3702 -12.3041 -12.3041 -12.1066 -12.1066 -12.0401 -12.0401 -12.0368 -12.0368 -12.0154 -12.0154 -11.4674 -11.4674 -11.4632 -11.4632 -11.2123 -11.2123 -11.2043 -11.2043 -11.1970 -11.1970 -11.1914 -11.1914 -7.5514 -7.5514 -7.5054 -7.5054 1.5225 1.5225 1.5744 1.5744 1.6330 1.6330 1.7414 1.7414 1.9263 1.9263 2.2236 2.2236 4.2682 4.2682 6.0233 6.0233 6.0689 6.0689 6.5385 6.5385 6.6894 6.6894 k = 0.1296 0.2245-0.0000 ( 7111 PWs) bands (ev): -28.6697 -28.6697 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3699 -12.3699 -12.3040 -12.3040 -12.1062 -12.1062 -12.0398 -12.0398 -12.0368 -12.0368 -12.0150 -12.0150 -11.4679 -11.4679 -11.4626 -11.4626 -11.2128 -11.2128 -11.2035 -11.2035 -11.1970 -11.1970 -11.1907 -11.1907 -7.5553 -7.5553 -7.5065 -7.5065 1.5505 1.5505 1.5614 1.5614 1.6384 1.6384 1.7411 1.7411 1.9263 1.9263 2.2375 2.2375 4.1849 4.1849 6.0284 6.0284 6.0549 6.0549 6.5872 6.5872 6.6948 6.6948 k = 0.1204 0.2085-0.0000 ( 7109 PWs) bands (ev): -28.6697 -28.6697 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3697 -12.3697 -12.3040 -12.3040 -12.1058 -12.1058 -12.0395 -12.0395 -12.0368 -12.0368 -12.0147 -12.0147 -11.4685 -11.4685 -11.4619 -11.4619 -11.2133 -11.2133 -11.2028 -11.2028 -11.1970 -11.1970 -11.1901 -11.1901 -7.5592 -7.5592 -7.5076 -7.5076 1.5463 1.5463 1.5819 1.5819 1.6447 1.6447 1.7405 1.7405 1.9263 1.9263 2.2510 2.2510 4.1026 4.1026 5.9887 5.9887 6.0846 6.0846 6.6325 6.6325 6.7011 6.7011 k = 0.1111 0.1925-0.0000 ( 7113 PWs) bands (ev): -28.6697 -28.6697 -28.6594 -28.6594 -27.7931 -27.7931 -27.7928 -27.7928 -12.3694 -12.3694 -12.3040 -12.3040 -12.1054 -12.1054 -12.0392 -12.0392 -12.0369 -12.0369 -12.0143 -12.0143 -11.4691 -11.4691 -11.4613 -11.4613 -11.2137 -11.2137 -11.2021 -11.2021 -11.1970 -11.1970 -11.1894 -11.1894 -7.5629 -7.5629 -7.5086 -7.5086 1.5329 1.5329 1.6129 1.6129 1.6513 1.6513 1.7398 1.7398 1.9263 1.9263 2.2638 2.2638 4.0218 4.0218 5.9503 5.9503 6.1118 6.1118 6.6731 6.6731 6.7082 6.7082 k = 0.1019 0.1764-0.0000 ( 7107 PWs) bands (ev): -28.6697 -28.6697 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3692 -12.3692 -12.3039 -12.3039 -12.1050 -12.1050 -12.0389 -12.0389 -12.0369 -12.0369 -12.0139 -12.0139 -11.4697 -11.4697 -11.4607 -11.4607 -11.2142 -11.2142 -11.2014 -11.2014 -11.1970 -11.1970 -11.1887 -11.1887 -7.5665 -7.5665 -7.5097 -7.5097 1.5200 1.5200 1.6438 1.6438 1.6586 1.6586 1.7395 1.7395 1.9263 1.9263 2.2761 2.2761 3.9430 3.9430 5.9135 5.9135 6.1362 6.1362 6.7068 6.7068 6.7168 6.7168 k = 0.0926 0.1604-0.0000 ( 7127 PWs) bands (ev): -28.6698 -28.6698 -28.6594 -28.6594 -27.7931 -27.7931 -27.7928 -27.7928 -12.3690 -12.3690 -12.3039 -12.3039 -12.1046 -12.1046 -12.0386 -12.0386 -12.0369 -12.0369 -12.0136 -12.0136 -11.4702 -11.4702 -11.4601 -11.4601 -11.2146 -11.2146 -11.2008 -11.2008 -11.1970 -11.1970 -11.1880 -11.1880 -7.5698 -7.5698 -7.5107 -7.5107 1.5079 1.5079 1.6619 1.6619 1.6776 1.6776 1.7406 1.7406 1.9263 1.9263 2.2876 2.2876 3.8669 3.8669 5.8788 5.8788 6.1575 6.1575 6.7217 6.7217 6.7372 6.7372 k = 0.0833 0.1443-0.0000 ( 7135 PWs) bands (ev): -28.6698 -28.6698 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3688 -12.3688 -12.3039 -12.3039 -12.1043 -12.1043 -12.0384 -12.0384 -12.0370 -12.0370 -12.0133 -12.0133 -11.4708 -11.4708 -11.4595 -11.4595 -11.2150 -11.2150 -11.2003 -11.2003 -11.1971 -11.1971 -11.1873 -11.1873 -7.5730 -7.5730 -7.5116 -7.5116 1.4968 1.4968 1.6683 1.6683 1.7035 1.7035 1.7462 1.7462 1.9265 1.9265 2.2982 2.2982 3.7941 3.7941 5.8465 5.8465 6.1756 6.1756 6.7296 6.7296 6.7568 6.7568 k = 0.0741 0.1283-0.0000 ( 7117 PWs) bands (ev): -28.6698 -28.6698 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3686 -12.3686 -12.3038 -12.3038 -12.1040 -12.1040 -12.0381 -12.0381 -12.0370 -12.0370 -12.0130 -12.0130 -11.4712 -11.4712 -11.4590 -11.4590 -11.2154 -11.2154 -11.1998 -11.1998 -11.1971 -11.1971 -11.1866 -11.1866 -7.5760 -7.5760 -7.5125 -7.5125 1.4866 1.4866 1.6735 1.6735 1.7183 1.7183 1.7632 1.7632 1.9268 1.9268 2.3080 2.3080 3.7253 3.7253 5.8167 5.8167 6.1906 6.1906 6.7369 6.7369 6.7693 6.7693 k = 0.0648 0.1123-0.0000 ( 7107 PWs) bands (ev): -28.6698 -28.6698 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3684 -12.3684 -12.3038 -12.3038 -12.1037 -12.1037 -12.0379 -12.0379 -12.0370 -12.0370 -12.0127 -12.0127 -11.4717 -11.4717 -11.4585 -11.4585 -11.2157 -11.2157 -11.1993 -11.1993 -11.1971 -11.1971 -11.1860 -11.1860 -7.5786 -7.5786 -7.5133 -7.5133 1.4775 1.4775 1.6779 1.6779 1.7231 1.7231 1.7895 1.7895 1.9273 1.9273 2.3169 2.3169 3.6613 3.6613 5.7899 5.7899 6.2027 6.2027 6.7437 6.7437 6.7755 6.7755 k = 0.0556 0.0962-0.0000 ( 7111 PWs) bands (ev): -28.6698 -28.6698 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3682 -12.3682 -12.3038 -12.3038 -12.1034 -12.1034 -12.0377 -12.0377 -12.0370 -12.0370 -12.0125 -12.0125 -11.4721 -11.4721 -11.4581 -11.4581 -11.2160 -11.2160 -11.1990 -11.1990 -11.1972 -11.1972 -11.1854 -11.1854 -7.5810 -7.5810 -7.5140 -7.5140 1.4695 1.4695 1.6814 1.6814 1.7248 1.7248 1.8171 1.8171 1.9282 1.9282 2.3247 2.3247 3.6029 3.6029 5.7662 5.7662 6.2122 6.2122 6.7499 6.7499 6.7772 6.7772 k = 0.0463 0.0802-0.0000 ( 7123 PWs) bands (ev): -28.6698 -28.6698 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3681 -12.3681 -12.3038 -12.3038 -12.1032 -12.1032 -12.0376 -12.0376 -12.0370 -12.0370 -12.0123 -12.0123 -11.4725 -11.4725 -11.4577 -11.4577 -11.2163 -11.2163 -11.1987 -11.1987 -11.1972 -11.1972 -11.1849 -11.1849 -7.5830 -7.5830 -7.5147 -7.5147 1.4627 1.4627 1.6840 1.6840 1.7257 1.7257 1.8428 1.8428 1.9298 1.9298 2.3315 2.3315 3.5512 3.5512 5.7458 5.7458 6.2195 6.2195 6.7553 6.7553 6.7759 6.7759 k = 0.0370 0.0642-0.0000 ( 7125 PWs) bands (ev): -28.6699 -28.6699 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3680 -12.3680 -12.3038 -12.3038 -12.1030 -12.1030 -12.0374 -12.0374 -12.0371 -12.0371 -12.0121 -12.0121 -11.4728 -11.4728 -11.4574 -11.4574 -11.2165 -11.2165 -11.1984 -11.1984 -11.1972 -11.1972 -11.1844 -11.1844 -7.5847 -7.5847 -7.5152 -7.5152 1.4570 1.4570 1.6859 1.6859 1.7265 1.7265 1.8645 1.8645 1.9324 1.9324 2.3371 2.3371 3.5069 3.5069 5.7289 5.7289 6.2249 6.2249 6.7597 6.7597 6.7733 6.7733 k = 0.0278 0.0481-0.0000 ( 7133 PWs) bands (ev): -28.6699 -28.6699 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3679 -12.3679 -12.3038 -12.3038 -12.1029 -12.1029 -12.0373 -12.0373 -12.0371 -12.0371 -12.0120 -12.0120 -11.4730 -11.4730 -11.4572 -11.4572 -11.2167 -11.2167 -11.1983 -11.1983 -11.1972 -11.1972 -11.1841 -11.1841 -7.5861 -7.5861 -7.5156 -7.5156 1.4526 1.4526 1.6872 1.6872 1.7272 1.7272 1.8808 1.8808 1.9363 1.9363 2.3415 2.3415 3.4712 3.4712 5.7157 5.7157 6.2286 6.2286 6.7628 6.7628 6.7702 6.7702 k = 0.0185 0.0321-0.0000 ( 7147 PWs) bands (ev): -28.6699 -28.6699 -28.6595 -28.6595 -27.7930 -27.7930 -27.7929 -27.7929 -12.3678 -12.3678 -12.3038 -12.3038 -12.1028 -12.1028 -12.0373 -12.0373 -12.0371 -12.0371 -12.0119 -12.0119 -11.4732 -11.4732 -11.4570 -11.4570 -11.2168 -11.2168 -11.1981 -11.1981 -11.1972 -11.1972 -11.1839 -11.1839 -7.5870 -7.5870 -7.5159 -7.5159 1.4495 1.4495 1.6879 1.6879 1.7279 1.7279 1.8912 1.8912 1.9411 1.9411 2.3447 2.3447 3.4449 3.4449 5.7061 5.7061 6.2311 6.2311 6.7644 6.7644 6.7675 6.7675 k = 0.0093 0.0160-0.0000 ( 7135 PWs) bands (ev): -28.6699 -28.6699 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3678 -12.3678 -12.3037 -12.3037 -12.1027 -12.1027 -12.0372 -12.0372 -12.0371 -12.0371 -12.0118 -12.0118 -11.4733 -11.4733 -11.4569 -11.4569 -11.2169 -11.2169 -11.1980 -11.1980 -11.1972 -11.1972 -11.1837 -11.1837 -7.5876 -7.5876 -7.5160 -7.5160 1.4476 1.4476 1.6883 1.6883 1.7283 1.7283 1.8966 1.8966 1.9451 1.9451 2.3466 2.3466 3.4288 3.4288 5.7003 5.7003 6.2325 6.2325 6.7646 6.7646 6.7656 6.7659 k = 0.0000 0.0000 0.0000 ( 7111 PWs) bands (ev): -28.6699 -28.6699 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3678 -12.3678 -12.3037 -12.3037 -12.1027 -12.1027 -12.0372 -12.0372 -12.0371 -12.0371 -12.0118 -12.0118 -11.4733 -11.4733 -11.4568 -11.4568 -11.2169 -11.2169 -11.1980 -11.1980 -11.1972 -11.1972 -11.1836 -11.1836 -7.5878 -7.5878 -7.5161 -7.5161 1.4469 1.4469 1.6885 1.6885 1.7285 1.7285 1.8982 1.8982 1.9467 1.9467 2.3473 2.3473 3.4233 3.4233 5.6984 5.6984 6.2330 6.2330 6.7644 6.7644 6.7647 6.7648 k = 0.0000 0.0000 0.0000 ( 7111 PWs) bands (ev): -28.6699 -28.6699 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3678 -12.3678 -12.3037 -12.3037 -12.1027 -12.1027 -12.0372 -12.0372 -12.0371 -12.0371 -12.0118 -12.0118 -11.4733 -11.4733 -11.4568 -11.4568 -11.2169 -11.2169 -11.1980 -11.1980 -11.1972 -11.1972 -11.1836 -11.1836 -7.5878 -7.5878 -7.5161 -7.5161 1.4469 1.4469 1.6885 1.6885 1.7285 1.7285 1.8982 1.8982 1.9467 1.9467 2.3473 2.3473 3.4233 3.4233 5.6984 5.6984 6.2330 6.2330 6.7644 6.7644 6.7647 6.7648 k = 0.0000 0.0000 0.0182 ( 7141 PWs) bands (ev): -28.6699 -28.6699 -28.6594 -28.6594 -27.7930 -27.7930 -27.7928 -27.7928 -12.3676 -12.3676 -12.3038 -12.3038 -12.1026 -12.1026 -12.0373 -12.0373 -12.0372 -12.0372 -12.0119 -12.0119 -11.4733 -11.4733 -11.4569 -11.4569 -11.2169 -11.2169 -11.1980 -11.1980 -11.1973 -11.1973 -11.1837 -11.1837 -7.5877 -7.5877 -7.5162 -7.5162 1.4474 1.4474 1.6888 1.6888 1.7287 1.7287 1.8978 1.8978 1.9464 1.9464 2.3432 2.3432 3.4286 3.4286 5.6942 5.6942 6.2359 6.2359 6.7651 6.7651 6.7660 6.7660 k = 0.0000 0.0000 0.0364 ( 7141 PWs) bands (ev): -28.6698 -28.6698 -28.6595 -28.6595 -27.7930 -27.7930 -27.7929 -27.7929 -12.3672 -12.3672 -12.3040 -12.3040 -12.1025 -12.1025 -12.0377 -12.0377 -12.0371 -12.0371 -12.0120 -12.0120 -11.4732 -11.4732 -11.4570 -11.4570 -11.2168 -11.2168 -11.1979 -11.1979 -11.1974 -11.1974 -11.1837 -11.1837 -7.5873 -7.5873 -7.5165 -7.5165 1.4489 1.4489 1.6896 1.6896 1.7296 1.7296 1.8967 1.8967 1.9452 1.9452 2.3312 2.3312 3.4442 3.4442 5.6816 5.6816 6.2448 6.2448 6.7672 6.7672 6.7699 6.7701 k = 0.0000 0.0000 0.0546 ( 7153 PWs) bands (ev): -28.6698 -28.6698 -28.6596 -28.6596 -27.7930 -27.7930 -27.7929 -27.7929 -12.3665 -12.3665 -12.3042 -12.3042 -12.1022 -12.1022 -12.0384 -12.0384 -12.0369 -12.0369 -12.0122 -12.0122 -11.4731 -11.4731 -11.4571 -11.4571 -11.2167 -11.2167 -11.1978 -11.1978 -11.1976 -11.1976 -11.1839 -11.1839 -7.5866 -7.5866 -7.5169 -7.5169 1.4513 1.4513 1.6911 1.6911 1.7311 1.7311 1.8947 1.8947 1.9433 1.9433 2.3119 2.3119 3.4695 3.4695 5.6610 5.6610 6.2594 6.2594 6.7706 6.7706 6.7762 6.7768 k = 0.0000 0.0000 0.0729 ( 7135 PWs) bands (ev): -28.6696 -28.6696 -28.6597 -28.6597 -27.7930 -27.7930 -27.7928 -27.7928 -12.3655 -12.3655 -12.3046 -12.3046 -12.1018 -12.1018 -12.0395 -12.0395 -12.0366 -12.0366 -12.0125 -12.0125 -11.4729 -11.4729 -11.4573 -11.4573 -11.2165 -11.2165 -11.1978 -11.1978 -11.1976 -11.1976 -11.1840 -11.1840 -7.5857 -7.5857 -7.5175 -7.5175 1.4548 1.4548 1.6931 1.6931 1.7331 1.7331 1.8920 1.8920 1.9406 1.9406 2.2866 2.2866 3.5033 3.5033 5.6326 5.6326 6.2797 6.2797 6.7754 6.7754 6.7848 6.7854 k = 0.0000 0.0000 0.0911 ( 7159 PWs) bands (ev): -28.6695 -28.6695 -28.6599 -28.6599 -27.7931 -27.7931 -27.7928 -27.7928 -12.3643 -12.3643 -12.3051 -12.3051 -12.1014 -12.1014 -12.0408 -12.0408 -12.0363 -12.0363 -12.0128 -12.0128 -11.4727 -11.4727 -11.4575 -11.4575 -11.2163 -11.2163 -11.1981 -11.1981 -11.1974 -11.1974 -11.1842 -11.1842 -7.5846 -7.5846 -7.5183 -7.5183 1.4594 1.4594 1.6957 1.6957 1.7357 1.7357 1.8885 1.8885 1.9372 1.9372 2.2562 2.2562 3.5446 3.5446 5.5968 5.5968 6.3055 6.3055 6.7814 6.7814 6.7920 6.7920 k = 0.0000 0.0000 0.1093 ( 7153 PWs) bands (ev): -28.6693 -28.6693 -28.6600 -28.6600 -27.7931 -27.7931 -27.7928 -27.7928 -12.3629 -12.3629 -12.3057 -12.3057 -12.1007 -12.1007 -12.0423 -12.0423 -12.0358 -12.0358 -12.0132 -12.0132 -11.4724 -11.4724 -11.4578 -11.4578 -11.2160 -11.2160 -11.1985 -11.1985 -11.1972 -11.1972 -11.1844 -11.1844 -7.5832 -7.5832 -7.5193 -7.5193 1.4650 1.4650 1.6988 1.6988 1.7389 1.7389 1.8843 1.8843 1.9331 1.9331 2.2219 2.2219 3.5923 3.5923 5.5544 5.5544 6.3366 6.3366 6.7887 6.7887 6.7994 6.7994 k = 0.0000 0.0000 0.1275 ( 7165 PWs) bands (ev): -28.6691 -28.6691 -28.6602 -28.6602 -27.7931 -27.7931 -27.7929 -27.7929 -12.3611 -12.3611 -12.3065 -12.3065 -12.1000 -12.1000 -12.0441 -12.0441 -12.0354 -12.0354 -12.0137 -12.0137 -11.4722 -11.4722 -11.4582 -11.4582 -11.2156 -11.2156 -11.1989 -11.1989 -11.1969 -11.1969 -11.1847 -11.1847 -7.5816 -7.5816 -7.5204 -7.5204 1.4718 1.4718 1.7025 1.7025 1.7425 1.7425 1.8794 1.8794 1.9283 1.9283 2.1849 2.1849 3.6454 3.6454 5.5058 5.5058 6.3727 6.3727 6.7971 6.7971 6.8079 6.8079 k = 0.0000 0.0000 0.1457 ( 7159 PWs) bands (ev): -28.6689 -28.6689 -28.6605 -28.6605 -27.7931 -27.7931 -27.7929 -27.7929 -12.3592 -12.3592 -12.3074 -12.3074 -12.0992 -12.0992 -12.0461 -12.0461 -12.0348 -12.0348 -12.0143 -12.0143 -11.4718 -11.4718 -11.4585 -11.4585 -11.2153 -11.2153 -11.1994 -11.1994 -11.1966 -11.1966 -11.1850 -11.1850 -7.5797 -7.5797 -7.5217 -7.5217 1.4798 1.4798 1.7068 1.7068 1.7468 1.7468 1.8739 1.8739 1.9230 1.9230 2.1460 2.1460 3.7029 3.7029 5.4517 5.4517 6.4135 6.4135 6.8066 6.8066 6.8176 6.8176 k = 0.0000 0.0000 0.1639 ( 7165 PWs) bands (ev): -28.6687 -28.6687 -28.6607 -28.6607 -27.7931 -27.7931 -27.7929 -27.7929 -12.3571 -12.3571 -12.3084 -12.3084 -12.0982 -12.0982 -12.0484 -12.0484 -12.0342 -12.0342 -12.0149 -12.0149 -11.4714 -11.4714 -11.4590 -11.4590 -11.2148 -11.2148 -11.1999 -11.1999 -11.1963 -11.1963 -11.1854 -11.1854 -7.5777 -7.5777 -7.5232 -7.5232 1.4892 1.4892 1.7115 1.7115 1.7515 1.7515 1.8677 1.8677 1.9170 1.9170 2.1060 2.1060 3.7643 3.7643 5.3927 5.3927 6.4586 6.4586 6.8171 6.8171 6.8282 6.8282 k = 0.0000 0.0000 0.1822 ( 7183 PWs) bands (ev): -28.6684 -28.6684 -28.6610 -28.6610 -27.7931 -27.7931 -27.7929 -27.7929 -12.3549 -12.3549 -12.3095 -12.3095 -12.0971 -12.0971 -12.0507 -12.0507 -12.0335 -12.0335 -12.0156 -12.0156 -11.4710 -11.4710 -11.4594 -11.4594 -11.2144 -11.2144 -11.2005 -11.2005 -11.1959 -11.1959 -11.1857 -11.1857 -7.5755 -7.5755 -7.5248 -7.5248 1.4998 1.4998 1.7167 1.7167 1.7567 1.7567 1.8608 1.8608 1.9106 1.9106 2.0656 2.0656 3.8289 3.8289 5.3295 5.3295 6.5076 6.5076 6.8284 6.8284 6.8396 6.8396 k = 0.0000 0.0000 0.2004 ( 7147 PWs) bands (ev): -28.6681 -28.6681 -28.6613 -28.6613 -27.7930 -27.7930 -27.7929 -27.7929 -12.3524 -12.3524 -12.3108 -12.3108 -12.0958 -12.0958 -12.0533 -12.0533 -12.0328 -12.0328 -12.0163 -12.0163 -11.4706 -11.4706 -11.4599 -11.4599 -11.2138 -11.2138 -11.2011 -11.2011 -11.1954 -11.1954 -11.1861 -11.1861 -7.5732 -7.5732 -7.5266 -7.5266 1.5119 1.5119 1.7225 1.7225 1.7624 1.7624 1.8533 1.8533 1.9037 1.9037 2.0254 2.0254 3.8962 3.8962 5.2626 5.2626 6.5601 6.5601 6.8405 6.8405 6.8518 6.8518 k = 0.0000 0.0000 0.2186 ( 7147 PWs) bands (ev): -28.6678 -28.6678 -28.6616 -28.6616 -27.7930 -27.7930 -27.7929 -27.7929 -12.3499 -12.3499 -12.3122 -12.3122 -12.0944 -12.0944 -12.0559 -12.0559 -12.0320 -12.0320 -12.0171 -12.0171 -11.4701 -11.4701 -11.4604 -11.4604 -11.2133 -11.2133 -11.2018 -11.2018 -11.1950 -11.1950 -11.1866 -11.1866 -7.5707 -7.5707 -7.5285 -7.5285 1.5254 1.5254 1.7286 1.7286 1.7686 1.7686 1.8451 1.8451 1.8963 1.8963 1.9858 1.9858 3.9659 3.9659 5.1925 5.1925 6.6155 6.6155 6.8530 6.8530 6.8644 6.8644 k = 0.0000 0.0000 0.2368 ( 7147 PWs) bands (ev): -28.6674 -28.6674 -28.6619 -28.6619 -27.7930 -27.7930 -27.7929 -27.7929 -12.3473 -12.3473 -12.3137 -12.3137 -12.0928 -12.0928 -12.0587 -12.0587 -12.0312 -12.0312 -12.0179 -12.0179 -11.4695 -11.4695 -11.4610 -11.4610 -11.2127 -11.2127 -11.2025 -11.2025 -11.1945 -11.1945 -11.1870 -11.1870 -7.5681 -7.5681 -7.5306 -7.5306 1.5405 1.5405 1.7353 1.7353 1.7751 1.7751 1.8359 1.8359 1.8886 1.8886 1.9476 1.9476 4.0375 4.0375 5.1200 5.1200 6.6732 6.6732 6.8659 6.8659 6.8774 6.8774 k = 0.0000 0.0000 0.2550 ( 7159 PWs) bands (ev): -28.6671 -28.6671 -28.6623 -28.6623 -27.7930 -27.7930 -27.7929 -27.7929 -12.3446 -12.3446 -12.3154 -12.3154 -12.0911 -12.0911 -12.0615 -12.0615 -12.0304 -12.0304 -12.0188 -12.0188 -11.4690 -11.4690 -11.4616 -11.4616 -11.2121 -11.2121 -11.2032 -11.2032 -11.1940 -11.1940 -11.1875 -11.1875 -7.5654 -7.5654 -7.5328 -7.5328 1.5572 1.5572 1.7423 1.7423 1.7821 1.7821 1.8254 1.8254 1.8806 1.8806 1.9114 1.9114 4.1109 4.1109 5.0453 5.0453 6.7326 6.7326 6.8789 6.8789 6.8905 6.8905 k = 0.0000 0.0000 0.2732 ( 7135 PWs) bands (ev): -28.6667 -28.6667 -28.6627 -28.6627 -27.7930 -27.7930 -27.7929 -27.7929 -12.3418 -12.3418 -12.3173 -12.3173 -12.0893 -12.0893 -12.0643 -12.0643 -12.0294 -12.0294 -12.0197 -12.0197 -11.4684 -11.4684 -11.4622 -11.4622 -11.2114 -11.2114 -11.2039 -11.2039 -11.1935 -11.1935 -11.1880 -11.1880 -7.5626 -7.5626 -7.5351 -7.5351 1.5755 1.5755 1.7498 1.7498 1.7894 1.7894 1.8127 1.8127 1.8724 1.8724 1.8785 1.8785 4.1857 4.1857 4.9689 4.9689 6.7930 6.7930 6.8917 6.8917 6.9034 6.9034 k = 0.0000 0.0000 0.2915 ( 7117 PWs) bands (ev): -28.6663 -28.6663 -28.6630 -28.6630 -27.7930 -27.7930 -27.7929 -27.7929 -12.3391 -12.3391 -12.3192 -12.3192 -12.0873 -12.0873 -12.0671 -12.0671 -12.0285 -12.0285 -12.0206 -12.0206 -11.4678 -11.4678 -11.4628 -11.4628 -11.2107 -11.2107 -11.2047 -11.2047 -11.1930 -11.1930 -11.1885 -11.1885 -7.5598 -7.5598 -7.5376 -7.5376 1.5955 1.5955 1.7576 1.7576 1.7958 1.7958 1.7970 1.7970 1.8510 1.8510 1.8640 1.8640 4.2619 4.2619 4.8913 4.8913 6.8536 6.8536 6.9041 6.9041 6.9158 6.9158 k = 0.0000 0.0000 0.3097 ( 7093 PWs) bands (ev): -28.6658 -28.6658 -28.6634 -28.6634 -27.7929 -27.7929 -27.7928 -27.7928 -12.3363 -12.3363 -12.3213 -12.3213 -12.0852 -12.0852 -12.0699 -12.0699 -12.0275 -12.0275 -12.0216 -12.0216 -11.4672 -11.4672 -11.4634 -11.4634 -11.2100 -11.2100 -11.2054 -11.2054 -11.1924 -11.1924 -11.1891 -11.1891 -7.5569 -7.5569 -7.5402 -7.5402 1.6172 1.6172 1.7658 1.7658 1.7734 1.7734 1.8049 1.8049 1.8304 1.8304 1.8555 1.8555 4.3391 4.3391 4.8128 4.8128 6.9134 6.9134 6.9158 6.9158 6.9273 6.9273 k = 0.0000 0.0000 0.3279 ( 7093 PWs) bands (ev): -28.6654 -28.6654 -28.6638 -28.6638 -27.7929 -27.7929 -27.7928 -27.7928 -12.3336 -12.3336 -12.3236 -12.3236 -12.0829 -12.0829 -12.0727 -12.0727 -12.0265 -12.0265 -12.0226 -12.0226 -11.4666 -11.4666 -11.4640 -11.4640 -11.2092 -11.2092 -11.2062 -11.2062 -11.1918 -11.1918 -11.1896 -11.1896 -7.5540 -7.5540 -7.5428 -7.5428 1.6405 1.6405 1.7469 1.7469 1.7744 1.7744 1.8130 1.8130 1.8155 1.8155 1.8469 1.8469 4.4171 4.4171 4.7337 4.7337 6.9263 6.9263 6.9377 6.9377 6.9484 6.9484 k = 0.0000 0.0000 0.3461 ( 7062 PWs) bands (ev): -28.6650 -28.6650 -28.6642 -28.6642 -27.7929 -27.7929 -27.7928 -27.7928 -12.3310 -12.3310 -12.3259 -12.3259 -12.0805 -12.0805 -12.0754 -12.0754 -12.0256 -12.0256 -12.0236 -12.0236 -11.4659 -11.4659 -11.4646 -11.4646 -11.2085 -11.2085 -11.2070 -11.2070 -11.1913 -11.1913 -11.1901 -11.1901 -7.5512 -7.5512 -7.5455 -7.5455 1.6654 1.6654 1.7192 1.7192 1.7835 1.7835 1.8035 1.8035 1.8213 1.8213 1.8383 1.8383 4.4958 4.4958 4.6544 4.6544 6.9353 6.9353 6.9464 6.9464 6.9470 6.9470 k = 0.0000 0.0000 0.3643 ( 7062 PWs) bands (ev): -28.6646 -28.6646 -28.6646 -28.6646 -27.7928 -27.7928 -27.7928 -27.7928 -12.3284 -12.3284 -12.3284 -12.3284 -12.0780 -12.0780 -12.0780 -12.0780 -12.0246 -12.0246 -12.0245 -12.0245 -11.4653 -11.4653 -11.4653 -11.4653 -11.2077 -11.2077 -11.2077 -11.2077 -11.1907 -11.1907 -11.1907 -11.1907 -7.5483 -7.5483 -7.5483 -7.5483 1.6917 1.6917 1.6917 1.6917 1.7931 1.7931 1.7931 1.7931 1.8298 1.8298 1.8298 1.8298 4.5750 4.5750 4.5750 4.5750 6.9423 6.9423 6.9423 6.9423 6.9531 6.9531 k = 0.0000 0.0000 0.3643 ( 7062 PWs) bands (ev): -28.6646 -28.6646 -28.6646 -28.6646 -27.7928 -27.7928 -27.7928 -27.7928 -12.3284 -12.3284 -12.3284 -12.3284 -12.0780 -12.0780 -12.0780 -12.0780 -12.0246 -12.0246 -12.0245 -12.0245 -11.4653 -11.4653 -11.4653 -11.4653 -11.2077 -11.2077 -11.2077 -11.2077 -11.1907 -11.1907 -11.1907 -11.1907 -7.5483 -7.5483 -7.5483 -7.5483 1.6917 1.6917 1.6917 1.6917 1.7931 1.7931 1.7931 1.7931 1.8298 1.8298 1.8298 1.8298 4.5750 4.5750 4.5750 4.5750 6.9423 6.9423 6.9423 6.9423 6.9531 6.9531 k = 0.0161 0.0093 0.3643 ( 7070 PWs) bands (ev): -28.6646 -28.6646 -28.6646 -28.6646 -27.7928 -27.7928 -27.7928 -27.7928 -12.3284 -12.3284 -12.3284 -12.3284 -12.0780 -12.0780 -12.0780 -12.0780 -12.0246 -12.0246 -12.0246 -12.0246 -11.4653 -11.4653 -11.4653 -11.4653 -11.2077 -11.2077 -11.2077 -11.2077 -11.1907 -11.1907 -11.1907 -11.1907 -7.5482 -7.5482 -7.5482 -7.5482 1.6875 1.6875 1.6875 1.6875 1.7947 1.7947 1.7947 1.7947 1.8318 1.8318 1.8318 1.8318 4.5775 4.5775 4.5775 4.5775 6.9418 6.9418 6.9418 6.9418 6.9529 6.9529 k = 0.0323 0.0186 0.3643 ( 7082 PWs) bands (ev): -28.6646 -28.6646 -28.6646 -28.6646 -27.7929 -27.7929 -27.7929 -27.7929 -12.3284 -12.3284 -12.3284 -12.3284 -12.0780 -12.0780 -12.0780 -12.0780 -12.0247 -12.0247 -12.0246 -12.0246 -11.4653 -11.4653 -11.4653 -11.4653 -11.2078 -11.2078 -11.2078 -11.2078 -11.1908 -11.1908 -11.1907 -11.1907 -7.5478 -7.5478 -7.5478 -7.5478 1.6761 1.6761 1.6761 1.6761 1.7982 1.7982 1.7982 1.7982 1.8382 1.8382 1.8382 1.8382 4.5850 4.5850 4.5850 4.5850 6.9384 6.9384 6.9384 6.9384 6.9538 6.9538 k = 0.0484 0.0279 0.3643 ( 7114 PWs) bands (ev): -28.6646 -28.6646 -28.6646 -28.6646 -27.7929 -27.7929 -27.7929 -27.7929 -12.3285 -12.3285 -12.3285 -12.3285 -12.0781 -12.0781 -12.0781 -12.0781 -12.0248 -12.0248 -12.0247 -12.0247 -11.4653 -11.4653 -11.4653 -11.4653 -11.2079 -11.2079 -11.2079 -11.2079 -11.1908 -11.1908 -11.1908 -11.1908 -7.5472 -7.5472 -7.5472 -7.5472 1.6600 1.6600 1.6600 1.6600 1.8016 1.8016 1.8016 1.8016 1.8483 1.8483 1.8483 1.8483 4.5975 4.5975 4.5975 4.5975 6.9306 6.9306 6.9306 6.9306 6.9576 6.9576 k = 0.0645 0.0372 0.3643 ( 7130 PWs) bands (ev): -28.6647 -28.6647 -28.6646 -28.6646 -27.7929 -27.7929 -27.7929 -27.7929 -12.3285 -12.3285 -12.3285 -12.3285 -12.0782 -12.0782 -12.0782 -12.0782 -12.0249 -12.0249 -12.0249 -12.0249 -11.4653 -11.4653 -11.4653 -11.4653 -11.2080 -11.2080 -11.2080 -11.2080 -11.1909 -11.1909 -11.1909 -11.1909 -7.5463 -7.5463 -7.5463 -7.5463 1.6411 1.6411 1.6411 1.6411 1.8042 1.8042 1.8042 1.8042 1.8609 1.8609 1.8609 1.8609 4.6148 4.6148 4.6148 4.6148 6.9185 6.9185 6.9185 6.9186 6.9640 6.9640 k = 0.0806 0.0466 0.3643 ( 7134 PWs) bands (ev): -28.6647 -28.6647 -28.6646 -28.6646 -27.7929 -27.7929 -27.7929 -27.7929 -12.3286 -12.3286 -12.3286 -12.3286 -12.0783 -12.0783 -12.0783 -12.0783 -12.0250 -12.0250 -12.0250 -12.0250 -11.4654 -11.4654 -11.4654 -11.4654 -11.2081 -11.2081 -11.2081 -11.2081 -11.1909 -11.1909 -11.1909 -11.1909 -7.5452 -7.5452 -7.5452 -7.5452 1.6207 1.6207 1.6207 1.6207 1.8064 1.8064 1.8064 1.8064 1.8748 1.8748 1.8748 1.8748 4.6368 4.6368 4.6368 4.6368 6.9028 6.9028 6.9028 6.9028 6.9725 6.9725 k = 0.0968 0.0559 0.3643 ( 7142 PWs) bands (ev): -28.6647 -28.6647 -28.6646 -28.6646 -27.7929 -27.7929 -27.7929 -27.7929 -12.3287 -12.3287 -12.3287 -12.3287 -12.0784 -12.0784 -12.0784 -12.0784 -12.0252 -12.0252 -12.0252 -12.0252 -11.4654 -11.4654 -11.4654 -11.4654 -11.2083 -11.2083 -11.2083 -11.2083 -11.1910 -11.1910 -11.1910 -11.1910 -7.5439 -7.5439 -7.5439 -7.5439 1.5993 1.5993 1.5993 1.5993 1.8082 1.8082 1.8082 1.8082 1.8888 1.8888 1.8888 1.8888 4.6632 4.6632 4.6632 4.6632 6.8836 6.8836 6.8836 6.8836 6.9830 6.9830 k = 0.1129 0.0652 0.3643 ( 7142 PWs) bands (ev): -28.6647 -28.6647 -28.6646 -28.6646 -27.7929 -27.7929 -27.7929 -27.7929 -12.3288 -12.3288 -12.3287 -12.3287 -12.0786 -12.0786 -12.0786 -12.0786 -12.0254 -12.0254 -12.0254 -12.0254 -11.4654 -11.4654 -11.4654 -11.4654 -11.2085 -11.2085 -11.2085 -11.2085 -11.1911 -11.1911 -11.1911 -11.1911 -7.5423 -7.5423 -7.5423 -7.5423 1.5776 1.5776 1.5776 1.5776 1.8100 1.8100 1.8100 1.8100 1.9026 1.9026 1.9026 1.9026 4.6938 4.6938 4.6938 4.6938 6.8613 6.8613 6.8613 6.8613 6.9955 6.9955 k = 0.1290 0.0745 0.3643 ( 7140 PWs) bands (ev): -28.6646 -28.6646 -28.6646 -28.6646 -27.7929 -27.7929 -27.7929 -27.7929 -12.3289 -12.3289 -12.3288 -12.3288 -12.0788 -12.0788 -12.0787 -12.0787 -12.0256 -12.0256 -12.0256 -12.0256 -11.4654 -11.4654 -11.4654 -11.4654 -11.2087 -11.2087 -11.2087 -11.2087 -11.1912 -11.1912 -11.1912 -11.1912 -7.5406 -7.5406 -7.5406 -7.5406 1.5559 1.5559 1.5559 1.5559 1.8118 1.8118 1.8118 1.8118 1.9158 1.9158 1.9158 1.9158 4.7283 4.7283 4.7284 4.7284 6.8364 6.8364 6.8364 6.8364 7.0098 7.0099 k = 0.1452 0.0838 0.3643 ( 7152 PWs) bands (ev): -28.6647 -28.6647 -28.6646 -28.6646 -27.7930 -27.7930 -27.7930 -27.7930 -12.3290 -12.3290 -12.3289 -12.3289 -12.0790 -12.0790 -12.0789 -12.0789 -12.0259 -12.0259 -12.0259 -12.0259 -11.4655 -11.4655 -11.4655 -11.4655 -11.2089 -11.2089 -11.2089 -11.2089 -11.1914 -11.1914 -11.1914 -11.1914 -7.5387 -7.5387 -7.5387 -7.5387 1.5343 1.5343 1.5343 1.5343 1.8136 1.8136 1.8136 1.8136 1.9281 1.9281 1.9281 1.9281 4.7664 4.7664 4.7664 4.7664 6.8092 6.8092 6.8092 6.8092 7.0260 7.0260 k = 0.1613 0.0931 0.3643 ( 7152 PWs) bands (ev): -28.6646 -28.6646 -28.6646 -28.6646 -27.7930 -27.7930 -27.7930 -27.7930 -12.3291 -12.3291 -12.3291 -12.3291 -12.0792 -12.0792 -12.0791 -12.0791 -12.0262 -12.0262 -12.0262 -12.0262 -11.4655 -11.4655 -11.4655 -11.4655 -11.2091 -11.2091 -11.2091 -11.2091 -11.1915 -11.1915 -11.1915 -11.1915 -7.5366 -7.5366 -7.5366 -7.5366 1.5131 1.5131 1.5131 1.5131 1.8156 1.8156 1.8156 1.8156 1.9396 1.9396 1.9396 1.9396 4.8076 4.8076 4.8076 4.8076 6.7804 6.7804 6.7804 6.7804 7.0439 7.0439 k = 0.1774 0.1024 0.3643 ( 7138 PWs) bands (ev): -28.6646 -28.6646 -28.6646 -28.6646 -27.7930 -27.7930 -27.7930 -27.7930 -12.3292 -12.3292 -12.3292 -12.3292 -12.0794 -12.0794 -12.0793 -12.0793 -12.0265 -12.0265 -12.0265 -12.0265 -11.4655 -11.4655 -11.4655 -11.4655 -11.2093 -11.2093 -11.2093 -11.2093 -11.1917 -11.1917 -11.1917 -11.1917 -7.5344 -7.5344 -7.5344 -7.5344 1.4924 1.4924 1.4924 1.4924 1.8175 1.8175 1.8175 1.8175 1.9500 1.9500 1.9500 1.9500 4.8515 4.8515 4.8515 4.8515 6.7505 6.7505 6.7505 6.7505 7.0632 7.0632 k = 0.1935 0.1117 0.3643 ( 7130 PWs) bands (ev): -28.6646 -28.6646 -28.6646 -28.6646 -27.7929 -27.7929 -27.7929 -27.7929 -12.3293 -12.3293 -12.3293 -12.3293 -12.0796 -12.0796 -12.0796 -12.0796 -12.0268 -12.0268 -12.0268 -12.0268 -11.4655 -11.4655 -11.4655 -11.4655 -11.2096 -11.2096 -11.2096 -11.2096 -11.1918 -11.1918 -11.1918 -11.1918 -7.5321 -7.5321 -7.5321 -7.5321 1.4723 1.4723 1.4723 1.4723 1.8196 1.8196 1.8196 1.8196 1.9595 1.9595 1.9595 1.9595 4.8977 4.8977 4.8977 4.8977 6.7201 6.7201 6.7201 6.7201 7.0777 7.0777 k = 0.2097 0.1211 0.3643 ( 7134 PWs) bands (ev): -28.6646 -28.6646 -28.6646 -28.6646 -27.7930 -27.7930 -27.7930 -27.7930 -12.3294 -12.3294 -12.3294 -12.3294 -12.0798 -12.0798 -12.0798 -12.0798 -12.0271 -12.0271 -12.0271 -12.0271 -11.4655 -11.4655 -11.4655 -11.4655 -11.2098 -11.2098 -11.2098 -11.2098 -11.1920 -11.1920 -11.1920 -11.1920 -7.5297 -7.5297 -7.5297 -7.5297 1.4531 1.4531 1.4531 1.4531 1.8217 1.8217 1.8217 1.8217 1.9679 1.9679 1.9679 1.9679 4.9455 4.9455 4.9455 4.9455 6.6899 6.6899 6.6899 6.6899 7.0781 7.0781 k = 0.2258 0.1304 0.3643 ( 7126 PWs) bands (ev): -28.6646 -28.6646 -28.6645 -28.6645 -27.7929 -27.7929 -27.7929 -27.7929 -12.3296 -12.3296 -12.3295 -12.3295 -12.0801 -12.0801 -12.0800 -12.0800 -12.0275 -12.0275 -12.0275 -12.0275 -11.4655 -11.4655 -11.4655 -11.4655 -11.2100 -11.2100 -11.2100 -11.2100 -11.1922 -11.1922 -11.1922 -11.1922 -7.5272 -7.5272 -7.5272 -7.5272 1.4347 1.4347 1.4347 1.4347 1.8238 1.8238 1.8238 1.8238 1.9755 1.9755 1.9755 1.9755 4.9944 4.9944 4.9944 4.9944 6.6607 6.6607 6.6607 6.6607 7.0761 7.0761 k = 0.2419 0.1397 0.3643 ( 7128 PWs) bands (ev): -28.6646 -28.6646 -28.6645 -28.6645 -27.7930 -27.7930 -27.7930 -27.7930 -12.3297 -12.3297 -12.3297 -12.3297 -12.0803 -12.0803 -12.0803 -12.0803 -12.0278 -12.0278 -12.0278 -12.0278 -11.4655 -11.4655 -11.4655 -11.4655 -11.2103 -11.2103 -11.2103 -11.2103 -11.1925 -11.1925 -11.1925 -11.1925 -7.5248 -7.5248 -7.5248 -7.5248 1.4173 1.4173 1.4173 1.4173 1.8260 1.8260 1.8260 1.8260 1.9820 1.9820 1.9820 1.9820 5.0437 5.0437 5.0437 5.0437 6.6331 6.6331 6.6331 6.6331 7.0730 7.0730 k = 0.2581 0.1490 0.3643 ( 7124 PWs) bands (ev): -28.6645 -28.6645 -28.6645 -28.6645 -27.7930 -27.7930 -27.7930 -27.7930 -12.3298 -12.3298 -12.3298 -12.3298 -12.0806 -12.0806 -12.0805 -12.0805 -12.0282 -12.0282 -12.0282 -12.0282 -11.4655 -11.4655 -11.4655 -11.4655 -11.2105 -11.2105 -11.2105 -11.2105 -11.1927 -11.1927 -11.1927 -11.1927 -7.5223 -7.5223 -7.5223 -7.5223 1.4008 1.4008 1.4008 1.4008 1.8281 1.8281 1.8281 1.8281 1.9877 1.9877 1.9877 1.9877 5.0928 5.0928 5.0929 5.0929 6.6079 6.6079 6.6079 6.6079 7.0687 7.0687 k = 0.2742 0.1583 0.3643 ( 7116 PWs) bands (ev): -28.6645 -28.6645 -28.6645 -28.6645 -27.7929 -27.7929 -27.7929 -27.7929 -12.3300 -12.3300 -12.3299 -12.3299 -12.0808 -12.0808 -12.0808 -12.0808 -12.0285 -12.0285 -12.0285 -12.0285 -11.4655 -11.4655 -11.4655 -11.4655 -11.2107 -11.2107 -11.2107 -11.2107 -11.1929 -11.1929 -11.1929 -11.1929 -7.5198 -7.5198 -7.5198 -7.5198 1.3854 1.3854 1.3854 1.3854 1.8303 1.8303 1.8303 1.8303 1.9926 1.9926 1.9926 1.9926 5.1410 5.1410 5.1410 5.1410 6.5858 6.5858 6.5858 6.5858 7.0629 7.0629 k = 0.2903 0.1676 0.3643 ( 7106 PWs) bands (ev): -28.6645 -28.6645 -28.6645 -28.6645 -27.7929 -27.7929 -27.7929 -27.7929 -12.3301 -12.3301 -12.3301 -12.3301 -12.0810 -12.0810 -12.0810 -12.0810 -12.0289 -12.0289 -12.0289 -12.0289 -11.4655 -11.4655 -11.4655 -11.4655 -11.2109 -11.2109 -11.2109 -11.2109 -11.1931 -11.1931 -11.1931 -11.1931 -7.5173 -7.5173 -7.5173 -7.5173 1.3711 1.3711 1.3711 1.3711 1.8324 1.8324 1.8324 1.8324 1.9968 1.9968 1.9968 1.9968 5.1874 5.1874 5.1874 5.1874 6.5676 6.5676 6.5676 6.5676 7.0556 7.0556 k = 0.3065 0.1769 0.3643 ( 7104 PWs) bands (ev): -28.6645 -28.6645 -28.6644 -28.6644 -27.7929 -27.7929 -27.7929 -27.7929 -12.3302 -12.3302 -12.3302 -12.3302 -12.0813 -12.0813 -12.0813 -12.0813 -12.0292 -12.0292 -12.0292 -12.0292 -11.4655 -11.4655 -11.4655 -11.4655 -11.2110 -11.2110 -11.2110 -11.2110 -11.1934 -11.1934 -11.1934 -11.1934 -7.5150 -7.5150 -7.5150 -7.5150 1.3579 1.3579 1.3579 1.3579 1.8344 1.8344 1.8344 1.8344 2.0002 2.0002 2.0002 2.0002 5.2314 5.2314 5.2314 5.2314 6.5539 6.5539 6.5539 6.5539 7.0465 7.0466 k = 0.3226 0.1862 0.3643 ( 7108 PWs) bands (ev): -28.6645 -28.6645 -28.6644 -28.6644 -27.7929 -27.7929 -27.7929 -27.7929 -12.3304 -12.3304 -12.3303 -12.3303 -12.0815 -12.0815 -12.0815 -12.0815 -12.0296 -12.0296 -12.0295 -12.0295 -11.4655 -11.4655 -11.4655 -11.4655 -11.2112 -11.2112 -11.2112 -11.2112 -11.1936 -11.1936 -11.1936 -11.1936 -7.5127 -7.5127 -7.5127 -7.5127 1.3458 1.3458 1.3458 1.3458 1.8364 1.8364 1.8364 1.8364 2.0031 2.0031 2.0031 2.0031 5.2722 5.2722 5.2722 5.2722 6.5453 6.5453 6.5453 6.5453 7.0355 7.0356 k = 0.3387 0.1956 0.3643 ( 7110 PWs) bands (ev): -28.6645 -28.6645 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3305 -12.3305 -12.3304 -12.3304 -12.0817 -12.0817 -12.0817 -12.0817 -12.0299 -12.0299 -12.0298 -12.0298 -11.4655 -11.4655 -11.4655 -11.4655 -11.2114 -11.2114 -11.2114 -11.2114 -11.1938 -11.1938 -11.1938 -11.1938 -7.5105 -7.5105 -7.5105 -7.5105 1.3348 1.3348 1.3348 1.3348 1.8382 1.8382 1.8382 1.8382 2.0054 2.0054 2.0054 2.0054 5.3093 5.3093 5.3093 5.3093 6.5423 6.5423 6.5423 6.5423 7.0225 7.0225 k = 0.3548 0.2049 0.3643 ( 7106 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3306 -12.3306 -12.3306 -12.3306 -12.0820 -12.0820 -12.0819 -12.0819 -12.0302 -12.0302 -12.0301 -12.0301 -11.4654 -11.4654 -11.4654 -11.4654 -11.2115 -11.2115 -11.2115 -11.2115 -11.1941 -11.1941 -11.1941 -11.1941 -7.5085 -7.5085 -7.5085 -7.5085 1.3250 1.3250 1.3250 1.3250 1.8400 1.8400 1.8400 1.8400 2.0072 2.0072 2.0072 2.0072 5.3422 5.3422 5.3422 5.3422 6.5450 6.5450 6.5450 6.5450 7.0072 7.0072 k = 0.3710 0.2142 0.3643 ( 7104 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3307 -12.3307 -12.3307 -12.3307 -12.0821 -12.0821 -12.0821 -12.0821 -12.0304 -12.0304 -12.0304 -12.0304 -11.4654 -11.4654 -11.4654 -11.4654 -11.2116 -11.2116 -11.2116 -11.2116 -11.1943 -11.1943 -11.1943 -11.1943 -7.5066 -7.5066 -7.5066 -7.5066 1.3162 1.3162 1.3162 1.3162 1.8416 1.8416 1.8416 1.8416 2.0086 2.0086 2.0086 2.0086 5.3707 5.3707 5.3707 5.3707 6.5535 6.5535 6.5535 6.5535 6.9896 6.9896 k = 0.3871 0.2235 0.3643 ( 7104 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3308 -12.3308 -12.3308 -12.3308 -12.0823 -12.0823 -12.0823 -12.0823 -12.0307 -12.0307 -12.0307 -12.0307 -11.4654 -11.4654 -11.4654 -11.4654 -11.2117 -11.2117 -11.2117 -11.2117 -11.1945 -11.1945 -11.1945 -11.1945 -7.5049 -7.5049 -7.5049 -7.5049 1.3085 1.3085 1.3085 1.3085 1.8430 1.8430 1.8430 1.8430 2.0097 2.0097 2.0097 2.0097 5.3946 5.3946 5.3946 5.3946 6.5675 6.5675 6.5675 6.5675 6.9698 6.9698 k = 0.4032 0.2328 0.3643 ( 7110 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3309 -12.3309 -12.3308 -12.3308 -12.0825 -12.0825 -12.0825 -12.0825 -12.0309 -12.0309 -12.0309 -12.0309 -11.4654 -11.4654 -11.4654 -11.4654 -11.2118 -11.2118 -11.2118 -11.2118 -11.1946 -11.1946 -11.1946 -11.1946 -7.5034 -7.5034 -7.5034 -7.5034 1.3019 1.3019 1.3019 1.3019 1.8443 1.8443 1.8443 1.8443 2.0105 2.0105 2.0105 2.0105 5.4142 5.4142 5.4142 5.4142 6.5866 6.5866 6.5866 6.5866 6.9476 6.9476 k = 0.4194 0.2421 0.3643 ( 7114 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3309 -12.3309 -12.3309 -12.3309 -12.0826 -12.0826 -12.0826 -12.0826 -12.0311 -12.0311 -12.0311 -12.0311 -11.4654 -11.4654 -11.4654 -11.4654 -11.2119 -11.2119 -11.2119 -11.2119 -11.1948 -11.1948 -11.1948 -11.1948 -7.5021 -7.5021 -7.5021 -7.5021 1.2964 1.2964 1.2964 1.2964 1.8454 1.8454 1.8454 1.8454 2.0111 2.0111 2.0111 2.0111 5.4297 5.4297 5.4297 5.4297 6.6099 6.6099 6.6100 6.6100 6.9233 6.9233 k = 0.4355 0.2514 0.3643 ( 7114 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3310 -12.3310 -12.3310 -12.3310 -12.0827 -12.0827 -12.0827 -12.0827 -12.0313 -12.0313 -12.0313 -12.0313 -11.4654 -11.4654 -11.4654 -11.4654 -11.2119 -11.2119 -11.2119 -11.2119 -11.1949 -11.1949 -11.1949 -11.1949 -7.5010 -7.5010 -7.5010 -7.5010 1.2919 1.2919 1.2919 1.2919 1.8464 1.8464 1.8464 1.8464 2.0115 2.0115 2.0115 2.0115 5.4415 5.4415 5.4415 5.4415 6.6367 6.6367 6.6367 6.6367 6.8970 6.8970 k = 0.4516 0.2607 0.3643 ( 7110 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3310 -12.3310 -12.3310 -12.3310 -12.0828 -12.0828 -12.0828 -12.0828 -12.0314 -12.0314 -12.0314 -12.0314 -11.4653 -11.4653 -11.4653 -11.4653 -11.2120 -11.2120 -11.2120 -11.2120 -11.1950 -11.1950 -11.1950 -11.1950 -7.5002 -7.5002 -7.5002 -7.5002 1.2884 1.2884 1.2884 1.2884 1.8471 1.8471 1.8471 1.8471 2.0117 2.0117 2.0117 2.0117 5.4502 5.4502 5.4502 5.4502 6.6658 6.6658 6.6659 6.6659 6.8691 6.8691 k = 0.4677 0.2701 0.3643 ( 7108 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3311 -12.3311 -12.3311 -12.3311 -12.0829 -12.0829 -12.0829 -12.0829 -12.0315 -12.0315 -12.0315 -12.0315 -11.4653 -11.4653 -11.4653 -11.4653 -11.2120 -11.2120 -11.2120 -11.2120 -11.1951 -11.1951 -11.1951 -11.1951 -7.4996 -7.4996 -7.4996 -7.4996 1.2859 1.2859 1.2859 1.2859 1.8476 1.8476 1.8476 1.8476 2.0119 2.0119 2.0119 2.0119 5.4560 5.4560 5.4560 5.4560 6.6958 6.6958 6.6958 6.6958 6.8405 6.8405 k = 0.4839 0.2794 0.3643 ( 7106 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3311 -12.3311 -12.3311 -12.3311 -12.0829 -12.0829 -12.0829 -12.0829 -12.0316 -12.0316 -12.0315 -12.0315 -11.4653 -11.4653 -11.4653 -11.4653 -11.2120 -11.2120 -11.2120 -11.2120 -11.1952 -11.1952 -11.1952 -11.1952 -7.4992 -7.4992 -7.4992 -7.4992 1.2844 1.2844 1.2844 1.2844 1.8479 1.8479 1.8479 1.8479 2.0120 2.0120 2.0120 2.0120 5.4594 5.4594 5.4594 5.4594 6.7238 6.7238 6.7238 6.7238 6.8136 6.8136 k = 0.5000 0.2887 0.3643 ( 7104 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3311 -12.3311 -12.3311 -12.3311 -12.0829 -12.0829 -12.0829 -12.0829 -12.0316 -12.0316 -12.0315 -12.0315 -11.4653 -11.4653 -11.4653 -11.4653 -11.2120 -11.2120 -11.2120 -11.2120 -11.1952 -11.1952 -11.1952 -11.1952 -7.4991 -7.4991 -7.4991 -7.4991 1.2840 1.2840 1.2840 1.2840 1.8481 1.8481 1.8481 1.8481 2.0120 2.0120 2.0120 2.0120 5.4605 5.4605 5.4605 5.4605 6.7386 6.7386 6.7386 6.7386 6.7992 6.7992 k = 0.5000 0.2887 0.3643 ( 7104 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3311 -12.3311 -12.3311 -12.3311 -12.0829 -12.0829 -12.0829 -12.0829 -12.0316 -12.0316 -12.0315 -12.0315 -11.4653 -11.4653 -11.4653 -11.4653 -11.2120 -11.2120 -11.2120 -11.2120 -11.1952 -11.1952 -11.1952 -11.1952 -7.4991 -7.4991 -7.4991 -7.4991 1.2840 1.2840 1.2840 1.2840 1.8481 1.8481 1.8481 1.8481 2.0120 2.0120 2.0120 2.0120 5.4605 5.4605 5.4605 5.4605 6.7386 6.7386 6.7386 6.7386 6.7992 6.7992 k = 0.4907 0.3047 0.3643 ( 7104 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3313 -12.3313 -12.3309 -12.3309 -12.0833 -12.0833 -12.0825 -12.0825 -12.0324 -12.0324 -12.0308 -12.0308 -11.4655 -11.4655 -11.4651 -11.4651 -11.2121 -11.2121 -11.2120 -11.2120 -11.1956 -11.1956 -11.1948 -11.1948 -7.4991 -7.4991 -7.4989 -7.4989 1.2843 1.2843 1.2851 1.2851 1.8452 1.8452 1.8478 1.8478 2.0112 2.0112 2.0134 2.0134 5.4617 5.4617 5.4626 5.4626 6.7392 6.7392 6.7395 6.7395 6.7980 6.7980 k = 0.4815 0.3208 0.3643 ( 7114 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3316 -12.3316 -12.3307 -12.3307 -12.0837 -12.0837 -12.0822 -12.0822 -12.0332 -12.0332 -12.0300 -12.0300 -11.4657 -11.4657 -11.4649 -11.4649 -11.2121 -11.2121 -11.2119 -11.2119 -11.1960 -11.1960 -11.1945 -11.1945 -7.4991 -7.4991 -7.4987 -7.4987 1.2861 1.2861 1.2877 1.2877 1.8396 1.8396 1.8446 1.8446 2.0112 2.0112 2.0154 2.0154 5.4661 5.4661 5.4679 5.4679 6.7412 6.7412 6.7416 6.7416 6.7951 6.7951 k = 0.4722 0.3368 0.3643 ( 7114 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3318 -12.3318 -12.3304 -12.3304 -12.0841 -12.0841 -12.0818 -12.0818 -12.0340 -12.0340 -12.0293 -12.0293 -11.4659 -11.4659 -11.4648 -11.4648 -11.2121 -11.2121 -11.2118 -11.2118 -11.1965 -11.1965 -11.1943 -11.1943 -7.4990 -7.4990 -7.4984 -7.4984 1.2894 1.2894 1.2917 1.2917 1.8312 1.8312 1.8385 1.8385 2.0118 2.0118 2.0178 2.0178 5.4737 5.4737 5.4764 5.4764 6.7436 6.7436 6.7443 6.7443 6.7917 6.7917 k = 0.4630 0.3528 0.3643 ( 7110 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3320 -12.3320 -12.3302 -12.3302 -12.0845 -12.0845 -12.0814 -12.0814 -12.0348 -12.0348 -12.0286 -12.0286 -11.4660 -11.4660 -11.4646 -11.4646 -11.2120 -11.2120 -11.2116 -11.2116 -11.1970 -11.1970 -11.1940 -11.1940 -7.4988 -7.4988 -7.4981 -7.4981 1.2940 1.2940 1.2971 1.2971 1.8205 1.8205 1.8298 1.8298 2.0129 2.0129 2.0204 2.0204 5.4842 5.4842 5.4878 5.4878 6.7446 6.7446 6.7456 6.7456 6.7900 6.7900 k = 0.4537 0.3689 0.3643 ( 7114 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3323 -12.3323 -12.3301 -12.3301 -12.0849 -12.0849 -12.0811 -12.0811 -12.0357 -12.0357 -12.0279 -12.0279 -11.4662 -11.4662 -11.4644 -11.4644 -11.2119 -11.2119 -11.2114 -11.2114 -11.1975 -11.1975 -11.1939 -11.1939 -7.4986 -7.4986 -7.4977 -7.4977 1.2999 1.2999 1.3040 1.3040 1.8077 1.8077 1.8188 1.8188 2.0143 2.0143 2.0230 2.0230 5.4972 5.4972 5.5017 5.5017 6.7418 6.7418 6.7432 6.7432 6.7931 6.7931 k = 0.4444 0.3849 0.3643 ( 7112 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3325 -12.3325 -12.3299 -12.3299 -12.0853 -12.0853 -12.0808 -12.0808 -12.0365 -12.0365 -12.0273 -12.0273 -11.4663 -11.4663 -11.4642 -11.4642 -11.2118 -11.2118 -11.2112 -11.2112 -11.1981 -11.1981 -11.1938 -11.1938 -7.4983 -7.4983 -7.4972 -7.4972 1.3071 1.3071 1.3121 1.3121 1.7931 1.7931 1.8058 1.8058 2.0160 2.0160 2.0256 2.0256 5.5123 5.5123 5.5177 5.5177 6.7350 6.7350 6.7369 6.7369 6.8017 6.8017 k = 0.4352 0.4009 0.3643 ( 7106 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3327 -12.3327 -12.3297 -12.3297 -12.0856 -12.0856 -12.0805 -12.0805 -12.0372 -12.0372 -12.0267 -12.0267 -11.4665 -11.4665 -11.4640 -11.4640 -11.2117 -11.2117 -11.2110 -11.2110 -11.1986 -11.1986 -11.1937 -11.1937 -7.4979 -7.4979 -7.4967 -7.4967 1.3154 1.3154 1.3214 1.3214 1.7771 1.7771 1.7912 1.7912 2.0177 2.0177 2.0281 2.0281 5.5291 5.5291 5.5354 5.5354 6.7259 6.7259 6.7283 6.7283 6.8147 6.8147 k = 0.4259 0.4170 0.3643 ( 7110 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3329 -12.3329 -12.3296 -12.3296 -12.0859 -12.0859 -12.0802 -12.0802 -12.0379 -12.0379 -12.0262 -12.0262 -11.4666 -11.4666 -11.4638 -11.4638 -11.2116 -11.2116 -11.2108 -11.2108 -11.1992 -11.1992 -11.1937 -11.1937 -7.4976 -7.4976 -7.4962 -7.4962 1.3247 1.3247 1.3319 1.3319 1.7599 1.7599 1.7755 1.7755 2.0194 2.0194 2.0303 2.0303 5.5470 5.5470 5.5541 5.5541 6.7162 6.7162 6.7191 6.7191 6.8311 6.8311 k = 0.4167 0.4330 0.3643 ( 7114 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3331 -12.3331 -12.3294 -12.3294 -12.0863 -12.0863 -12.0799 -12.0799 -12.0386 -12.0386 -12.0257 -12.0257 -11.4667 -11.4667 -11.4636 -11.4636 -11.2114 -11.2114 -11.2105 -11.2105 -11.1998 -11.1998 -11.1937 -11.1937 -7.4972 -7.4972 -7.4957 -7.4957 1.3348 1.3348 1.3432 1.3432 1.7418 1.7418 1.7589 1.7589 2.0210 2.0210 2.0323 2.0323 5.5653 5.5653 5.5733 5.5733 6.7072 6.7072 6.7106 6.7106 6.8501 6.8501 k = 0.4074 0.4491 0.3643 ( 7134 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3333 -12.3333 -12.3293 -12.3293 -12.0866 -12.0866 -12.0797 -12.0797 -12.0393 -12.0393 -12.0253 -12.0253 -11.4668 -11.4668 -11.4635 -11.4635 -11.2113 -11.2113 -11.2103 -11.2103 -11.2003 -11.2003 -11.1938 -11.1938 -7.4967 -7.4967 -7.4951 -7.4951 1.3455 1.3455 1.3554 1.3554 1.7233 1.7233 1.7419 1.7419 2.0225 2.0225 2.0341 2.0341 5.5836 5.5836 5.5923 5.5923 6.6996 6.6996 6.7035 6.7035 6.8714 6.8714 k = 0.3981 0.4651 0.3643 ( 7138 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3334 -12.3334 -12.3292 -12.3292 -12.0868 -12.0868 -12.0795 -12.0795 -12.0399 -12.0399 -12.0250 -12.0250 -11.4669 -11.4669 -11.4634 -11.4634 -11.2111 -11.2111 -11.2101 -11.2101 -11.2008 -11.2008 -11.1939 -11.1939 -7.4963 -7.4963 -7.4946 -7.4946 1.3566 1.3566 1.3681 1.3681 1.7046 1.7046 1.7248 1.7248 2.0238 2.0238 2.0356 2.0356 5.6010 5.6010 5.6104 5.6104 6.6941 6.6941 6.6985 6.6985 6.8946 6.8946 k = 0.3889 0.4811 0.3643 ( 7126 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3336 -12.3336 -12.3291 -12.3291 -12.0870 -12.0870 -12.0793 -12.0793 -12.0404 -12.0404 -12.0247 -12.0247 -11.4670 -11.4670 -11.4632 -11.4632 -11.2109 -11.2109 -11.2098 -11.2098 -11.2013 -11.2013 -11.1940 -11.1940 -7.4959 -7.4959 -7.4940 -7.4940 1.3676 1.3676 1.3810 1.3810 1.6861 1.6861 1.7083 1.7083 2.0249 2.0249 2.0369 2.0369 5.6172 5.6172 5.6272 5.6272 6.6910 6.6910 6.6958 6.6958 6.9193 6.9193 k = 0.3796 0.4972 0.3643 ( 7130 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3337 -12.3337 -12.3291 -12.3291 -12.0872 -12.0872 -12.0792 -12.0792 -12.0408 -12.0408 -12.0244 -12.0244 -11.4670 -11.4670 -11.4631 -11.4631 -11.2108 -11.2108 -11.2096 -11.2096 -11.2018 -11.2018 -11.1941 -11.1941 -7.4955 -7.4955 -7.4936 -7.4936 1.3784 1.3784 1.3938 1.3938 1.6685 1.6685 1.6927 1.6927 2.0258 2.0258 2.0380 2.0380 5.6315 5.6315 5.6421 5.6421 6.6904 6.6904 6.6956 6.6956 6.9450 6.9450 k = 0.3704 0.5132 0.3643 ( 7138 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3338 -12.3338 -12.3290 -12.3290 -12.0874 -12.0874 -12.0791 -12.0791 -12.0412 -12.0412 -12.0242 -12.0242 -11.4671 -11.4671 -11.4630 -11.4630 -11.2106 -11.2106 -11.2094 -11.2094 -11.2021 -11.2021 -11.1942 -11.1942 -7.4951 -7.4951 -7.4931 -7.4931 1.3883 1.3883 1.4060 1.4060 1.6523 1.6523 1.6788 1.6788 2.0266 2.0266 2.0388 2.0388 5.6435 5.6435 5.6547 5.6547 6.6922 6.6922 6.6978 6.6978 6.9712 6.9713 k = 0.3611 0.5292 0.3643 ( 7148 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3339 -12.3339 -12.3290 -12.3290 -12.0876 -12.0876 -12.0790 -12.0790 -12.0415 -12.0415 -12.0241 -12.0241 -11.4671 -11.4671 -11.4630 -11.4630 -11.2105 -11.2105 -11.2093 -11.2093 -11.2024 -11.2024 -11.1943 -11.1943 -7.4948 -7.4948 -7.4928 -7.4928 1.3968 1.3968 1.4168 1.4168 1.6382 1.6382 1.6670 1.6670 2.0271 2.0271 2.0395 2.0395 5.6531 5.6531 5.6646 5.6646 6.6959 6.6959 6.7017 6.7017 6.9971 6.9971 k = 0.3519 0.5453 0.3643 ( 7160 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3340 -12.3340 -12.3290 -12.3290 -12.0877 -12.0877 -12.0790 -12.0790 -12.0417 -12.0417 -12.0240 -12.0240 -11.4672 -11.4672 -11.4629 -11.4629 -11.2104 -11.2104 -11.2092 -11.2092 -11.2027 -11.2027 -11.1944 -11.1944 -7.4946 -7.4946 -7.4925 -7.4925 1.4033 1.4033 1.4254 1.4254 1.6272 1.6272 1.6580 1.6580 2.0275 2.0275 2.0399 2.0399 5.6599 5.6599 5.6717 5.6717 6.7005 6.7005 6.7064 6.7064 7.0212 7.0213 k = 0.3426 0.5613 0.3643 ( 7176 PWs) bands (ev): -28.6645 -28.6645 -28.6644 -28.6644 -27.7931 -27.7931 -27.7931 -27.7931 -12.3340 -12.3340 -12.3289 -12.3289 -12.0877 -12.0877 -12.0789 -12.0789 -12.0418 -12.0418 -12.0239 -12.0239 -11.4672 -11.4672 -11.4629 -11.4629 -11.2104 -11.2104 -11.2091 -11.2091 -11.2028 -11.2028 -11.1944 -11.1944 -7.4944 -7.4944 -7.4923 -7.4923 1.4075 1.4075 1.4310 1.4310 1.6201 1.6201 1.6524 1.6524 2.0278 2.0278 2.0402 2.0402 5.6640 5.6640 5.6759 5.6759 6.7046 6.7046 6.7106 6.7106 7.0409 7.0409 k = 0.3333 0.5774 0.3643 ( 7176 PWs) bands (ev): -28.6645 -28.6645 -28.6644 -28.6644 -27.7931 -27.7931 -27.7931 -27.7931 -12.3340 -12.3340 -12.3289 -12.3289 -12.0877 -12.0877 -12.0789 -12.0789 -12.0419 -12.0419 -12.0239 -12.0239 -11.4672 -11.4672 -11.4629 -11.4629 -11.2104 -11.2104 -11.2091 -11.2091 -11.2029 -11.2029 -11.1945 -11.1945 -7.4944 -7.4944 -7.4923 -7.4923 1.4088 1.4088 1.4330 1.4330 1.6177 1.6177 1.6505 1.6505 2.0279 2.0279 2.0403 2.0403 5.6653 5.6653 5.6773 5.6773 6.7064 6.7064 6.7125 6.7125 7.0492 7.0492 k = 0.3333 0.5774 0.3643 ( 7176 PWs) bands (ev): -28.6645 -28.6645 -28.6644 -28.6644 -27.7931 -27.7931 -27.7931 -27.7931 -12.3340 -12.3340 -12.3289 -12.3289 -12.0877 -12.0877 -12.0789 -12.0789 -12.0419 -12.0419 -12.0239 -12.0239 -11.4672 -11.4672 -11.4629 -11.4629 -11.2104 -11.2104 -11.2091 -11.2091 -11.2029 -11.2029 -11.1945 -11.1945 -7.4944 -7.4944 -7.4923 -7.4923 1.4088 1.4088 1.4330 1.4330 1.6177 1.6177 1.6505 1.6505 2.0279 2.0279 2.0403 2.0403 5.6653 5.6653 5.6773 5.6773 6.7064 6.7064 6.7125 6.7125 7.0492 7.0492 k = 0.3241 0.5613 0.3643 ( 7172 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7931 -27.7931 -27.7931 -27.7931 -12.3340 -12.3340 -12.3289 -12.3289 -12.0877 -12.0877 -12.0789 -12.0789 -12.0418 -12.0418 -12.0239 -12.0239 -11.4672 -11.4672 -11.4629 -11.4629 -11.2104 -11.2104 -11.2091 -11.2091 -11.2028 -11.2028 -11.1944 -11.1944 -7.4944 -7.4944 -7.4923 -7.4923 1.4075 1.4075 1.4311 1.4311 1.6200 1.6200 1.6523 1.6523 2.0278 2.0278 2.0402 2.0402 5.6640 5.6640 5.6759 5.6759 6.7040 6.7040 6.7100 6.7100 7.0447 7.0447 k = 0.3148 0.5453 0.3643 ( 7162 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3340 -12.3340 -12.3290 -12.3290 -12.0877 -12.0877 -12.0789 -12.0789 -12.0417 -12.0417 -12.0240 -12.0240 -11.4672 -11.4672 -11.4629 -11.4629 -11.2104 -11.2104 -11.2092 -11.2092 -11.2027 -11.2027 -11.1944 -11.1944 -7.4946 -7.4946 -7.4925 -7.4925 1.4039 1.4039 1.4261 1.4261 1.6265 1.6265 1.6575 1.6575 2.0276 2.0276 2.0399 2.0399 5.6601 5.6601 5.6719 5.6719 6.6959 6.6959 6.7019 6.7019 7.0406 7.0407 k = 0.3056 0.5292 0.3643 ( 7142 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3339 -12.3339 -12.3290 -12.3290 -12.0876 -12.0876 -12.0790 -12.0790 -12.0415 -12.0415 -12.0240 -12.0240 -11.4671 -11.4671 -11.4630 -11.4630 -11.2105 -11.2105 -11.2093 -11.2093 -11.2025 -11.2025 -11.1943 -11.1943 -7.4949 -7.4949 -7.4929 -7.4929 1.3984 1.3984 1.4188 1.4188 1.6363 1.6363 1.6654 1.6654 2.0272 2.0272 2.0395 2.0395 5.6538 5.6538 5.6653 5.6653 6.6820 6.6820 6.6878 6.6878 7.0426 7.0426 k = 0.2963 0.5132 0.3643 ( 7130 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3338 -12.3338 -12.3290 -12.3290 -12.0874 -12.0874 -12.0790 -12.0790 -12.0412 -12.0412 -12.0241 -12.0241 -11.4671 -11.4671 -11.4630 -11.4630 -11.2105 -11.2105 -11.2094 -11.2094 -11.2022 -11.2022 -11.1941 -11.1941 -7.4954 -7.4954 -7.4934 -7.4934 1.3919 1.3919 1.4102 1.4102 1.6483 1.6483 1.6753 1.6753 2.0267 2.0267 2.0390 2.0390 5.6450 5.6450 5.6562 5.6562 6.6630 6.6630 6.6686 6.6686 7.0501 7.0501 k = 0.2870 0.4972 0.3643 ( 7120 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3337 -12.3337 -12.3290 -12.3290 -12.0872 -12.0872 -12.0791 -12.0791 -12.0408 -12.0408 -12.0243 -12.0243 -11.4670 -11.4670 -11.4631 -11.4631 -11.2106 -11.2106 -11.2096 -11.2096 -11.2019 -11.2019 -11.1939 -11.1939 -7.4960 -7.4960 -7.4941 -7.4941 1.3848 1.3848 1.4012 1.4012 1.6616 1.6616 1.6867 1.6867 2.0261 2.0261 2.0382 2.0382 5.6336 5.6336 5.6445 5.6445 6.6406 6.6406 6.6459 6.6459 7.0600 7.0601 k = 0.2778 0.4811 0.3643 ( 7108 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3336 -12.3336 -12.3290 -12.3290 -12.0870 -12.0870 -12.0791 -12.0791 -12.0404 -12.0404 -12.0244 -12.0244 -11.4670 -11.4670 -11.4632 -11.4632 -11.2107 -11.2107 -11.2098 -11.2098 -11.2015 -11.2015 -11.1937 -11.1937 -7.4967 -7.4967 -7.4949 -7.4949 1.3779 1.3779 1.3925 1.3925 1.6756 1.6756 1.6989 1.6989 2.0253 2.0253 2.0373 2.0373 5.6197 5.6197 5.6301 5.6301 6.6166 6.6166 6.6217 6.6217 7.0682 7.0683 k = 0.2685 0.4651 0.3643 ( 7100 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3334 -12.3334 -12.3291 -12.3291 -12.0868 -12.0868 -12.0792 -12.0792 -12.0399 -12.0399 -12.0245 -12.0245 -11.4669 -11.4669 -11.4633 -11.4633 -11.2107 -11.2107 -11.2100 -11.2100 -11.2011 -11.2011 -11.1935 -11.1935 -7.4977 -7.4977 -7.4959 -7.4959 1.3713 1.3713 1.3843 1.3843 1.6899 1.6899 1.7115 1.7115 2.0244 2.0244 2.0363 2.0363 5.6029 5.6029 5.6129 5.6129 6.5927 6.5927 6.5974 6.5974 7.0712 7.0712 k = 0.2593 0.4491 0.3643 ( 7118 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3333 -12.3333 -12.3291 -12.3291 -12.0865 -12.0865 -12.0793 -12.0793 -12.0394 -12.0394 -12.0247 -12.0247 -11.4669 -11.4669 -11.4634 -11.4634 -11.2108 -11.2108 -11.2103 -11.2103 -11.2006 -11.2006 -11.1933 -11.1933 -7.4988 -7.4988 -7.4971 -7.4971 1.3656 1.3656 1.3772 1.3772 1.7039 1.7039 1.7241 1.7241 2.0233 2.0233 2.0350 2.0350 5.5831 5.5831 5.5925 5.5925 6.5701 6.5701 6.5745 6.5745 7.0688 7.0689 k = 0.2500 0.4330 0.3643 ( 7128 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3331 -12.3331 -12.3292 -12.3292 -12.0862 -12.0862 -12.0793 -12.0793 -12.0387 -12.0387 -12.0249 -12.0249 -11.4668 -11.4668 -11.4636 -11.4636 -11.2108 -11.2108 -11.2105 -11.2105 -11.2002 -11.2002 -11.1931 -11.1931 -7.5000 -7.5000 -7.4984 -7.4984 1.3610 1.3610 1.3713 1.3713 1.7175 1.7175 1.7363 1.7363 2.0221 2.0221 2.0335 2.0335 5.5600 5.5600 5.5688 5.5688 6.5502 6.5502 6.5542 6.5542 7.0627 7.0627 k = 0.2407 0.4170 0.3643 ( 7108 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3329 -12.3329 -12.3292 -12.3292 -12.0858 -12.0858 -12.0794 -12.0794 -12.0381 -12.0381 -12.0250 -12.0250 -11.4667 -11.4667 -11.4637 -11.4637 -11.2108 -11.2108 -11.2107 -11.2107 -11.1997 -11.1997 -11.1928 -11.1928 -7.5015 -7.5015 -7.5000 -7.5000 1.3576 1.3576 1.3668 1.3668 1.7305 1.7305 1.7481 1.7481 2.0207 2.0207 2.0319 2.0319 5.5334 5.5334 5.5416 5.5416 6.5337 6.5337 6.5373 6.5373 7.0548 7.0561 k = 0.2315 0.4009 0.3643 ( 7110 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3326 -12.3326 -12.3292 -12.3292 -12.0855 -12.0855 -12.0794 -12.0794 -12.0374 -12.0374 -12.0252 -12.0252 -11.4667 -11.4667 -11.4639 -11.4639 -11.2108 -11.2108 -11.2107 -11.2107 -11.1992 -11.1992 -11.1926 -11.1926 -7.5030 -7.5030 -7.5016 -7.5016 1.3556 1.3556 1.3638 1.3638 1.7426 1.7426 1.7590 1.7590 2.0191 2.0191 2.0300 2.0300 5.5031 5.5031 5.5106 5.5106 6.5215 6.5215 6.5245 6.5245 7.0461 7.0470 k = 0.2222 0.3849 0.3643 ( 7114 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3324 -12.3324 -12.3292 -12.3292 -12.0851 -12.0851 -12.0795 -12.0795 -12.0366 -12.0366 -12.0253 -12.0253 -11.4666 -11.4666 -11.4640 -11.4640 -11.2110 -11.2110 -11.2107 -11.2107 -11.1987 -11.1987 -11.1924 -11.1924 -7.5048 -7.5048 -7.5035 -7.5035 1.3551 1.3551 1.3625 1.3625 1.7538 1.7538 1.7692 1.7692 2.0173 2.0173 2.0278 2.0278 5.4691 5.4691 5.4759 5.4759 6.5138 6.5138 6.5165 6.5165 7.0379 7.0382 k = 0.2130 0.3689 0.3643 ( 7118 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3322 -12.3322 -12.3293 -12.3293 -12.0847 -12.0847 -12.0795 -12.0795 -12.0359 -12.0359 -12.0254 -12.0254 -11.4665 -11.4665 -11.4642 -11.4642 -11.2111 -11.2111 -11.2106 -11.2106 -11.1981 -11.1981 -11.1922 -11.1922 -7.5067 -7.5067 -7.5055 -7.5055 1.3563 1.3563 1.3629 1.3629 1.7640 1.7640 1.7783 1.7783 2.0152 2.0152 2.0253 2.0253 5.4315 5.4315 5.4377 5.4377 6.5111 6.5111 6.5133 6.5133 7.0289 7.0292 k = 0.2037 0.3528 0.3643 ( 7122 PWs) bands (ev): -28.6645 -28.6645 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3319 -12.3319 -12.3293 -12.3293 -12.0843 -12.0843 -12.0795 -12.0795 -12.0351 -12.0351 -12.0256 -12.0256 -11.4664 -11.4664 -11.4643 -11.4643 -11.2112 -11.2112 -11.2106 -11.2106 -11.1976 -11.1976 -11.1920 -11.1920 -7.5087 -7.5087 -7.5076 -7.5076 1.3591 1.3591 1.3650 1.3650 1.7731 1.7731 1.7864 1.7864 2.0129 2.0129 2.0224 2.0224 5.3906 5.3906 5.3960 5.3960 6.5134 6.5134 6.5151 6.5151 7.0212 7.0215 k = 0.1944 0.3368 0.3643 ( 7122 PWs) bands (ev): -28.6645 -28.6645 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3317 -12.3317 -12.3293 -12.3293 -12.0839 -12.0839 -12.0795 -12.0795 -12.0343 -12.0343 -12.0257 -12.0257 -11.4664 -11.4664 -11.4645 -11.4645 -11.2112 -11.2112 -11.2105 -11.2105 -11.1971 -11.1971 -11.1918 -11.1918 -7.5108 -7.5108 -7.5098 -7.5098 1.3636 1.3636 1.3689 1.3689 1.7811 1.7811 1.7935 1.7935 2.0101 2.0101 2.0191 2.0191 5.3465 5.3465 5.3513 5.3513 6.5205 6.5205 6.5218 6.5218 7.0143 7.0150 k = 0.1852 0.3208 0.3643 ( 7126 PWs) bands (ev): -28.6645 -28.6645 -28.6645 -28.6645 -27.7930 -27.7930 -27.7930 -27.7930 -12.3314 -12.3314 -12.3293 -12.3293 -12.0834 -12.0834 -12.0795 -12.0795 -12.0335 -12.0335 -12.0258 -12.0258 -11.4663 -11.4663 -11.4646 -11.4646 -11.2112 -11.2112 -11.2104 -11.2104 -11.1965 -11.1965 -11.1917 -11.1917 -7.5130 -7.5130 -7.5121 -7.5121 1.3698 1.3698 1.3745 1.3745 1.7881 1.7881 1.7995 1.7995 2.0070 2.0070 2.0154 2.0154 5.2998 5.2998 5.3040 5.3040 6.5322 6.5322 6.5331 6.5331 7.0085 7.0088 k = 0.1759 0.3047 0.3643 ( 7110 PWs) bands (ev): -28.6645 -28.6645 -28.6645 -28.6645 -27.7929 -27.7929 -27.7929 -27.7929 -12.3312 -12.3312 -12.3293 -12.3293 -12.0830 -12.0830 -12.0795 -12.0795 -12.0327 -12.0327 -12.0258 -12.0258 -11.4662 -11.4662 -11.4647 -11.4647 -11.2112 -11.2112 -11.2102 -11.2102 -11.1960 -11.1960 -11.1915 -11.1915 -7.5153 -7.5153 -7.5146 -7.5146 1.3777 1.3777 1.3819 1.3819 1.7940 1.7940 1.8045 1.8045 2.0033 2.0033 2.0112 2.0112 5.2511 5.2511 5.2546 5.2546 6.5481 6.5481 6.5487 6.5487 7.0037 7.0039 k = 0.1667 0.2887 0.3643 ( 7110 PWs) bands (ev): -28.6645 -28.6645 -28.6645 -28.6645 -27.7929 -27.7929 -27.7929 -27.7929 -12.3309 -12.3309 -12.3293 -12.3293 -12.0825 -12.0825 -12.0795 -12.0795 -12.0320 -12.0320 -12.0259 -12.0259 -11.4661 -11.4661 -11.4648 -11.4648 -11.2111 -11.2111 -11.2101 -11.2101 -11.1955 -11.1955 -11.1914 -11.1914 -7.5177 -7.5177 -7.5170 -7.5170 1.3873 1.3873 1.3910 1.3910 1.7989 1.7989 1.8085 1.8085 1.9991 1.9991 2.0065 2.0065 5.2007 5.2007 5.2037 5.2037 6.5677 6.5677 6.5680 6.5680 7.0002 7.0005 k = 0.1574 0.2726 0.3643 ( 7106 PWs) bands (ev): -28.6645 -28.6645 -28.6645 -28.6645 -27.7929 -27.7929 -27.7929 -27.7929 -12.3307 -12.3307 -12.3292 -12.3292 -12.0821 -12.0821 -12.0794 -12.0794 -12.0312 -12.0312 -12.0259 -12.0259 -11.4660 -11.4660 -11.4649 -11.4649 -11.2109 -11.2109 -11.2100 -11.2100 -11.1950 -11.1950 -11.1913 -11.1913 -7.5202 -7.5202 -7.5196 -7.5196 1.3984 1.3984 1.4017 1.4017 1.8028 1.8028 1.8116 1.8116 1.9943 1.9943 2.0011 2.0011 5.1493 5.1493 5.1518 5.1518 6.5904 6.5904 6.5905 6.5905 6.9977 6.9979 k = 0.1481 0.2566 0.3643 ( 7106 PWs) bands (ev): -28.6645 -28.6645 -28.6645 -28.6645 -27.7929 -27.7929 -27.7929 -27.7929 -12.3304 -12.3304 -12.3292 -12.3292 -12.0817 -12.0817 -12.0793 -12.0793 -12.0305 -12.0305 -12.0259 -12.0259 -11.4660 -11.4660 -11.4650 -11.4650 -11.2108 -11.2108 -11.2098 -11.2098 -11.1945 -11.1945 -11.1912 -11.1912 -7.5226 -7.5226 -7.5221 -7.5221 1.4112 1.4112 1.4141 1.4141 1.8059 1.8059 1.8139 1.8139 1.9888 1.9888 1.9950 1.9950 5.0974 5.0974 5.0996 5.0996 6.6157 6.6157 6.6158 6.6158 6.9961 6.9962 k = 0.1389 0.2406 0.3643 ( 7094 PWs) bands (ev): -28.6645 -28.6645 -28.6645 -28.6645 -27.7929 -27.7929 -27.7929 -27.7929 -12.3302 -12.3302 -12.3291 -12.3291 -12.0812 -12.0812 -12.0793 -12.0793 -12.0297 -12.0297 -12.0259 -12.0259 -11.4659 -11.4659 -11.4651 -11.4651 -11.2106 -11.2106 -11.2096 -11.2096 -11.1940 -11.1940 -11.1911 -11.1911 -7.5251 -7.5251 -7.5247 -7.5247 1.4254 1.4254 1.4279 1.4279 1.8081 1.8081 1.8153 1.8153 1.9826 1.9826 1.9882 1.9882 5.0456 5.0456 5.0474 5.0474 6.6430 6.6430 6.6432 6.6432 6.9954 6.9955 k = 0.1296 0.2245 0.3643 ( 7108 PWs) bands (ev): -28.6645 -28.6645 -28.6645 -28.6645 -27.7929 -27.7929 -27.7929 -27.7929 -12.3300 -12.3300 -12.3291 -12.3291 -12.0808 -12.0808 -12.0792 -12.0792 -12.0291 -12.0291 -12.0258 -12.0258 -11.4658 -11.4658 -11.4652 -11.4652 -11.2104 -11.2104 -11.2095 -11.2095 -11.1935 -11.1935 -11.1911 -11.1911 -7.5276 -7.5276 -7.5272 -7.5272 1.4410 1.4410 1.4432 1.4432 1.8097 1.8097 1.8162 1.8162 1.9756 1.9756 1.9805 1.9805 4.9945 4.9945 4.9959 4.9959 6.6717 6.6717 6.6721 6.6721 6.9954 6.9954 k = 0.1204 0.2085 0.3643 ( 7116 PWs) bands (ev): -28.6646 -28.6646 -28.6645 -28.6645 -27.7929 -27.7929 -27.7929 -27.7929 -12.3298 -12.3298 -12.3291 -12.3291 -12.0805 -12.0805 -12.0791 -12.0791 -12.0284 -12.0284 -12.0258 -12.0258 -11.4658 -11.4658 -11.4652 -11.4652 -11.2101 -11.2101 -11.2093 -11.2093 -11.1931 -11.1931 -11.1910 -11.1910 -7.5300 -7.5300 -7.5297 -7.5297 1.4579 1.4579 1.4599 1.4599 1.8107 1.8107 1.8164 1.8164 1.9677 1.9677 1.9721 1.9721 4.9444 4.9444 4.9456 4.9456 6.7013 6.7013 6.7017 6.7017 6.9959 6.9959 k = 0.1111 0.1925 0.3643 ( 7106 PWs) bands (ev): -28.6646 -28.6646 -28.6645 -28.6645 -27.7929 -27.7929 -27.7929 -27.7929 -12.3296 -12.3296 -12.3290 -12.3290 -12.0801 -12.0801 -12.0790 -12.0790 -12.0278 -12.0278 -12.0257 -12.0257 -11.4657 -11.4657 -11.4653 -11.4653 -11.2098 -11.2098 -11.2092 -11.2092 -11.1927 -11.1927 -11.1910 -11.1910 -7.5323 -7.5323 -7.5321 -7.5321 1.4760 1.4760 1.4777 1.4777 1.8111 1.8111 1.8162 1.8162 1.9589 1.9589 1.9628 1.9628 4.8959 4.8959 4.8969 4.8969 6.7312 6.7312 6.7317 6.7317 6.9964 6.9965 k = 0.1019 0.1764 0.3643 ( 7130 PWs) bands (ev): -28.6646 -28.6646 -28.6646 -28.6646 -27.7929 -27.7929 -27.7929 -27.7929 -12.3294 -12.3294 -12.3289 -12.3289 -12.0798 -12.0798 -12.0789 -12.0789 -12.0273 -12.0273 -12.0256 -12.0256 -11.4656 -11.4656 -11.4653 -11.4653 -11.2096 -11.2096 -11.2090 -11.2090 -11.1924 -11.1924 -11.1910 -11.1910 -7.5346 -7.5346 -7.5344 -7.5344 1.4951 1.4951 1.4965 1.4965 1.8111 1.8111 1.8156 1.8156 1.9492 1.9492 1.9526 1.9526 4.8495 4.8495 4.8502 4.8502 6.7608 6.7608 6.7612 6.7612 6.9966 6.9969 k = 0.0926 0.1604 0.3643 ( 7146 PWs) bands (ev): -28.6646 -28.6646 -28.6646 -28.6646 -27.7930 -27.7930 -27.7930 -27.7930 -12.3292 -12.3292 -12.3289 -12.3289 -12.0795 -12.0795 -12.0788 -12.0788 -12.0268 -12.0268 -12.0255 -12.0255 -11.4656 -11.4656 -11.4653 -11.4653 -11.2093 -11.2093 -11.2088 -11.2088 -11.1921 -11.1921 -11.1910 -11.1910 -7.5368 -7.5368 -7.5366 -7.5366 1.5151 1.5151 1.5163 1.5163 1.8107 1.8107 1.8146 1.8146 1.9385 1.9385 1.9415 1.9415 4.8056 4.8056 4.8061 4.8061 6.7895 6.7895 6.7899 6.7899 6.9960 6.9963 k = 0.0833 0.1443 0.3643 ( 7142 PWs) bands (ev): -28.6646 -28.6646 -28.6646 -28.6646 -27.7930 -27.7930 -27.7930 -27.7930 -12.3291 -12.3291 -12.3288 -12.3288 -12.0792 -12.0792 -12.0787 -12.0787 -12.0264 -12.0264 -12.0254 -12.0254 -11.4655 -11.4655 -11.4654 -11.4654 -11.2091 -11.2091 -11.2087 -11.2087 -11.1918 -11.1918 -11.1909 -11.1909 -7.5388 -7.5388 -7.5387 -7.5387 1.5358 1.5358 1.5368 1.5368 1.8101 1.8101 1.8134 1.8134 1.9270 1.9270 1.9296 1.9296 4.7645 4.7645 4.7649 4.7649 6.8168 6.8168 6.8172 6.8172 6.9939 6.9942 k = 0.0741 0.1283 0.3643 ( 7138 PWs) bands (ev): -28.6646 -28.6646 -28.6646 -28.6646 -27.7929 -27.7929 -27.7929 -27.7929 -12.3289 -12.3289 -12.3288 -12.3288 -12.0789 -12.0789 -12.0786 -12.0786 -12.0260 -12.0260 -12.0253 -12.0253 -11.4655 -11.4655 -11.4654 -11.4654 -11.2088 -11.2088 -11.2085 -11.2085 -11.1915 -11.1915 -11.1909 -11.1909 -7.5407 -7.5407 -7.5406 -7.5406 1.5570 1.5570 1.5578 1.5578 1.8092 1.8092 1.8120 1.8120 1.9146 1.9146 1.9168 1.9168 4.7267 4.7267 4.7270 4.7270 6.8424 6.8424 6.8427 6.8427 6.9900 6.9902 k = 0.0648 0.1123 0.3643 ( 7132 PWs) bands (ev): -28.6646 -28.6646 -28.6646 -28.6646 -27.7929 -27.7929 -27.7929 -27.7929 -12.3288 -12.3288 -12.3287 -12.3287 -12.0787 -12.0787 -12.0784 -12.0784 -12.0256 -12.0256 -12.0252 -12.0252 -11.4654 -11.4654 -11.4654 -11.4654 -11.2086 -11.2086 -11.2084 -11.2084 -11.1913 -11.1913 -11.1909 -11.1909 -7.5424 -7.5424 -7.5424 -7.5424 1.5785 1.5785 1.5792 1.5792 1.8081 1.8081 1.8105 1.8105 1.9015 1.9015 1.9033 1.9033 4.6925 4.6925 4.6927 4.6927 6.8657 6.8657 6.8660 6.8660 6.9842 6.9843 k = 0.0556 0.0962 0.3643 ( 7136 PWs) bands (ev): -28.6647 -28.6647 -28.6646 -28.6646 -27.7929 -27.7929 -27.7929 -27.7929 -12.3287 -12.3287 -12.3286 -12.3286 -12.0785 -12.0785 -12.0783 -12.0783 -12.0253 -12.0253 -12.0250 -12.0250 -11.4654 -11.4654 -11.4654 -11.4654 -11.2084 -11.2084 -11.2082 -11.2082 -11.1911 -11.1911 -11.1909 -11.1909 -7.5439 -7.5439 -7.5439 -7.5439 1.6000 1.6000 1.6005 1.6005 1.8069 1.8069 1.8088 1.8088 1.8878 1.8878 1.8893 1.8893 4.6622 4.6622 4.6623 4.6623 6.8866 6.8866 6.8868 6.8868 6.9772 6.9772 k = 0.0463 0.0802 0.3643 ( 7140 PWs) bands (ev): -28.6647 -28.6647 -28.6646 -28.6646 -27.7929 -27.7929 -27.7929 -27.7929 -12.3286 -12.3286 -12.3286 -12.3286 -12.0783 -12.0783 -12.0783 -12.0783 -12.0251 -12.0251 -12.0249 -12.0249 -11.4654 -11.4654 -11.4654 -11.4654 -11.2082 -11.2082 -11.2081 -11.2081 -11.1910 -11.1910 -11.1908 -11.1908 -7.5452 -7.5452 -7.5452 -7.5452 1.6211 1.6211 1.6215 1.6215 1.8054 1.8054 1.8069 1.8069 1.8739 1.8739 1.8750 1.8750 4.6361 4.6361 4.6362 4.6362 6.9045 6.9045 6.9047 6.9047 6.9697 6.9698 k = 0.0370 0.0642 0.3643 ( 7134 PWs) bands (ev): -28.6647 -28.6647 -28.6646 -28.6646 -27.7929 -27.7929 -27.7929 -27.7929 -12.3286 -12.3286 -12.3285 -12.3285 -12.0782 -12.0782 -12.0782 -12.0782 -12.0249 -12.0249 -12.0248 -12.0248 -11.4654 -11.4654 -11.4653 -11.4653 -11.2080 -11.2080 -11.2080 -11.2080 -11.1909 -11.1909 -11.1908 -11.1908 -7.5463 -7.5463 -7.5463 -7.5463 1.6414 1.6414 1.6417 1.6417 1.8036 1.8036 1.8046 1.8046 1.8603 1.8603 1.8611 1.8611 4.6144 4.6144 4.6144 4.6144 6.9195 6.9195 6.9195 6.9195 6.9628 6.9629 k = 0.0278 0.0481 0.3643 ( 7118 PWs) bands (ev): -28.6647 -28.6647 -28.6646 -28.6646 -27.7929 -27.7929 -27.7929 -27.7929 -12.3285 -12.3285 -12.3285 -12.3285 -12.0781 -12.0781 -12.0781 -12.0781 -12.0248 -12.0248 -12.0247 -12.0247 -11.4653 -11.4653 -11.4653 -11.4653 -11.2079 -11.2079 -11.2079 -11.2079 -11.1908 -11.1908 -11.1908 -11.1908 -7.5472 -7.5472 -7.5472 -7.5472 1.6602 1.6602 1.6604 1.6604 1.8012 1.8012 1.8018 1.8018 1.8479 1.8479 1.8483 1.8483 4.5973 4.5973 4.5973 4.5973 6.9309 6.9309 6.9310 6.9310 6.9573 6.9573 k = 0.0185 0.0321 0.3643 ( 7078 PWs) bands (ev): -28.6646 -28.6646 -28.6646 -28.6646 -27.7929 -27.7929 -27.7929 -27.7929 -12.3284 -12.3284 -12.3284 -12.3284 -12.0780 -12.0780 -12.0780 -12.0780 -12.0246 -12.0246 -12.0246 -12.0246 -11.4653 -11.4653 -11.4653 -11.4653 -11.2078 -11.2078 -11.2078 -11.2078 -11.1908 -11.1908 -11.1907 -11.1907 -7.5478 -7.5478 -7.5478 -7.5478 1.6762 1.6762 1.6763 1.6763 1.7981 1.7981 1.7983 1.7983 1.8380 1.8380 1.8382 1.8382 4.5849 4.5849 4.5849 4.5849 6.9385 6.9385 6.9385 6.9385 6.9538 6.9538 k = 0.0093 0.0160 0.3643 ( 7074 PWs) bands (ev): -28.6646 -28.6646 -28.6646 -28.6646 -27.7929 -27.7929 -27.7929 -27.7929 -12.3284 -12.3284 -12.3284 -12.3284 -12.0780 -12.0780 -12.0780 -12.0780 -12.0246 -12.0246 -12.0246 -12.0246 -11.4653 -11.4653 -11.4653 -11.4653 -11.2077 -11.2077 -11.2077 -11.2077 -11.1907 -11.1907 -11.1907 -11.1907 -7.5482 -7.5482 -7.5482 -7.5482 1.6875 1.6875 1.6875 1.6875 1.7947 1.7947 1.7947 1.7947 1.8318 1.8318 1.8318 1.8318 4.5775 4.5775 4.5775 4.5775 6.9418 6.9418 6.9418 6.9418 6.9529 6.9529 k = 0.0000 0.0000 0.3643 ( 7062 PWs) bands (ev): -28.6646 -28.6646 -28.6646 -28.6646 -27.7928 -27.7928 -27.7928 -27.7928 -12.3284 -12.3284 -12.3284 -12.3284 -12.0780 -12.0780 -12.0780 -12.0780 -12.0246 -12.0246 -12.0245 -12.0245 -11.4653 -11.4653 -11.4653 -11.4653 -11.2077 -11.2077 -11.2077 -11.2077 -11.1907 -11.1907 -11.1907 -11.1907 -7.5483 -7.5483 -7.5483 -7.5483 1.6917 1.6917 1.6917 1.6917 1.7931 1.7931 1.7931 1.7931 1.8298 1.8298 1.8298 1.8298 4.5750 4.5750 4.5750 4.5750 6.9423 6.9423 6.9423 6.9423 6.9531 6.9532 k = 0.5000 0.2887 0.3643 ( 7104 PWs) bands (ev): -28.6644 -28.6644 -28.6644 -28.6644 -27.7930 -27.7930 -27.7930 -27.7930 -12.3311 -12.3311 -12.3311 -12.3311 -12.0829 -12.0829 -12.0829 -12.0829 -12.0316 -12.0316 -12.0315 -12.0315 -11.4653 -11.4653 -11.4653 -11.4653 -11.2120 -11.2120 -11.2120 -11.2120 -11.1952 -11.1952 -11.1952 -11.1952 -7.4991 -7.4991 -7.4991 -7.4991 1.2840 1.2840 1.2840 1.2840 1.8481 1.8481 1.8481 1.8481 2.0120 2.0120 2.0120 2.0120 5.4605 5.4605 5.4605 5.4605 6.7386 6.7386 6.7386 6.7386 6.7992 6.7992 k = 0.5000 0.2887 0.3461 ( 7120 PWs) bands (ev): -28.6648 -28.6648 -28.6640 -28.6640 -27.7930 -27.7930 -27.7930 -27.7930 -12.3338 -12.3338 -12.3285 -12.3285 -12.0858 -12.0858 -12.0800 -12.0800 -12.0325 -12.0325 -12.0306 -12.0306 -11.4659 -11.4659 -11.4648 -11.4648 -11.2124 -11.2124 -11.2117 -11.2117 -11.1955 -11.1955 -11.1949 -11.1949 -7.4993 -7.4993 -7.4988 -7.4988 1.2729 1.2729 1.2963 1.2963 1.8420 1.8420 1.8541 1.8541 2.0020 2.0020 2.0212 2.0212 5.4373 5.4373 5.4821 5.4821 6.7174 6.7174 6.7553 6.7553 6.7836 6.7836 k = 0.5000 0.2887 0.3279 ( 7108 PWs) bands (ev): -28.6652 -28.6652 -28.6636 -28.6636 -27.7930 -27.7930 -27.7929 -27.7929 -12.3366 -12.3366 -12.3259 -12.3259 -12.0885 -12.0885 -12.0769 -12.0769 -12.0334 -12.0334 -12.0297 -12.0297 -11.4665 -11.4665 -11.4642 -11.4642 -11.2126 -11.2126 -11.2114 -11.2114 -11.1957 -11.1957 -11.1947 -11.1947 -7.4996 -7.4996 -7.4986 -7.4986 1.2630 1.2630 1.3099 1.3099 1.8361 1.8361 1.8602 1.8602 1.9914 1.9914 2.0295 2.0295 5.4129 5.4129 5.5022 5.5022 6.6935 6.6935 6.7535 6.7535 6.7832 6.7832 k = 0.5000 0.2887 0.3097 ( 7116 PWs) bands (ev): -28.6656 -28.6656 -28.6632 -28.6632 -27.7930 -27.7930 -27.7929 -27.7929 -12.3395 -12.3395 -12.3235 -12.3235 -12.0911 -12.0911 -12.0737 -12.0737 -12.0343 -12.0343 -12.0287 -12.0287 -11.4670 -11.4670 -11.4636 -11.4636 -11.2129 -11.2129 -11.2111 -11.2111 -11.1960 -11.1960 -11.1944 -11.1944 -7.5000 -7.5000 -7.4985 -7.4985 1.2544 1.2544 1.3247 1.3247 1.8303 1.8303 1.8662 1.8662 1.9803 1.9803 2.0366 2.0366 5.3874 5.3874 5.5206 5.5206 6.6671 6.6671 6.7333 6.7333 6.7978 6.7978 k = 0.5000 0.2887 0.2915 ( 7108 PWs) bands (ev): -28.6659 -28.6659 -28.6628 -28.6628 -27.7930 -27.7930 -27.7929 -27.7929 -12.3424 -12.3424 -12.3213 -12.3213 -12.0936 -12.0936 -12.0705 -12.0705 -12.0352 -12.0352 -12.0278 -12.0278 -11.4676 -11.4676 -11.4631 -11.4631 -11.2132 -11.2132 -11.2107 -11.2107 -11.1963 -11.1963 -11.1942 -11.1942 -7.5004 -7.5004 -7.4984 -7.4984 1.2470 1.2470 1.3407 1.3407 1.8247 1.8247 1.8722 1.8722 1.9688 1.9688 2.0426 2.0426 5.3611 5.3611 5.5375 5.5375 6.6388 6.6388 6.7076 6.7076 6.8145 6.8145 k = 0.5000 0.2887 0.2732 ( 7108 PWs) bands (ev): -28.6663 -28.6663 -28.6625 -28.6625 -27.7931 -27.7931 -27.7929 -27.7929 -12.3453 -12.3453 -12.3191 -12.3191 -12.0958 -12.0958 -12.0673 -12.0673 -12.0361 -12.0361 -12.0269 -12.0269 -11.4681 -11.4681 -11.4626 -11.4626 -11.2134 -11.2134 -11.2104 -11.2104 -11.1967 -11.1967 -11.1940 -11.1940 -7.5008 -7.5008 -7.4983 -7.4983 1.2407 1.2407 1.3578 1.3578 1.8192 1.8192 1.8780 1.8780 1.9572 1.9572 2.0473 2.0473 5.3345 5.3345 5.5529 5.5529 6.6091 6.6091 6.6776 6.6776 6.8323 6.8323 k = 0.5000 0.2887 0.2550 ( 7114 PWs) bands (ev): -28.6667 -28.6667 -28.6621 -28.6621 -27.7931 -27.7931 -27.7929 -27.7929 -12.3482 -12.3482 -12.3172 -12.3172 -12.0980 -12.0980 -12.0641 -12.0641 -12.0369 -12.0369 -12.0260 -12.0260 -11.4687 -11.4687 -11.4621 -11.4621 -11.2137 -11.2137 -11.2100 -11.2100 -11.1970 -11.1970 -11.1938 -11.1938 -7.5012 -7.5012 -7.4983 -7.4983 1.2354 1.2354 1.3759 1.3759 1.8140 1.8140 1.8837 1.8837 1.9456 1.9456 2.0506 2.0506 5.3077 5.3077 5.5673 5.5673 6.5785 6.5785 6.6436 6.6436 6.8515 6.8515 k = 0.5000 0.2887 0.2368 ( 7118 PWs) bands (ev): -28.6670 -28.6670 -28.6618 -28.6618 -27.7931 -27.7931 -27.7929 -27.7929 -12.3511 -12.3511 -12.3154 -12.3154 -12.0999 -12.0999 -12.0610 -12.0610 -12.0378 -12.0378 -12.0252 -12.0252 -11.4692 -11.4692 -11.4616 -11.4616 -11.2139 -11.2139 -11.2096 -11.2096 -11.1973 -11.1973 -11.1936 -11.1936 -7.5016 -7.5016 -7.4983 -7.4983 1.2312 1.2312 1.3948 1.3948 1.8090 1.8090 1.8891 1.8891 1.9342 1.9342 2.0524 2.0524 5.2812 5.2812 5.5807 5.5807 6.5477 6.5477 6.6059 6.6059 6.8721 6.8721 k = 0.5000 0.2887 0.2186 ( 7120 PWs) bands (ev): -28.6674 -28.6674 -28.6614 -28.6614 -27.7931 -27.7931 -27.7929 -27.7929 -12.3539 -12.3539 -12.3137 -12.3137 -12.1017 -12.1017 -12.0579 -12.0579 -12.0385 -12.0385 -12.0244 -12.0244 -11.4697 -11.4697 -11.4612 -11.4612 -11.2141 -11.2141 -11.2093 -11.2093 -11.1977 -11.1977 -11.1935 -11.1935 -7.5021 -7.5021 -7.4983 -7.4983 1.2279 1.2279 1.4145 1.4145 1.8042 1.8042 1.8939 1.8939 1.9234 1.9234 2.0527 2.0527 5.2553 5.2553 5.5937 5.5937 6.5173 6.5173 6.5651 6.5651 6.8941 6.8941 k = 0.5000 0.2887 0.2004 ( 7116 PWs) bands (ev): -28.6677 -28.6677 -28.6611 -28.6611 -27.7931 -27.7931 -27.7929 -27.7929 -12.3566 -12.3566 -12.3122 -12.3122 -12.1033 -12.1033 -12.0549 -12.0549 -12.0392 -12.0392 -12.0236 -12.0236 -11.4701 -11.4701 -11.4607 -11.4607 -11.2143 -11.2143 -11.2089 -11.2089 -11.1980 -11.1980 -11.1933 -11.1933 -7.5026 -7.5026 -7.4984 -7.4984 1.2254 1.2254 1.4347 1.4347 1.7998 1.7998 1.8976 1.8976 1.9138 1.9138 2.0516 2.0516 5.2302 5.2302 5.6065 5.6065 6.4876 6.4876 6.5219 6.5219 6.9171 6.9171 k = 0.5000 0.2887 0.1822 ( 7112 PWs) bands (ev): -28.6680 -28.6680 -28.6608 -28.6608 -27.7931 -27.7931 -27.7928 -27.7928 -12.3591 -12.3591 -12.3108 -12.3108 -12.1047 -12.1047 -12.0521 -12.0521 -12.0399 -12.0399 -12.0229 -12.0229 -11.4706 -11.4706 -11.4603 -11.4603 -11.2145 -11.2145 -11.2085 -11.2085 -11.1983 -11.1983 -11.1932 -11.1932 -7.5030 -7.5030 -7.4984 -7.4984 1.2235 1.2235 1.4552 1.4552 1.7957 1.7957 1.8965 1.8965 1.9092 1.9092 2.0491 2.0491 5.2064 5.2064 5.6195 5.6195 6.4590 6.4590 6.4772 6.4772 6.9408 6.9408 k = 0.5000 0.2887 0.1639 ( 7118 PWs) bands (ev): -28.6682 -28.6682 -28.6605 -28.6605 -27.7931 -27.7931 -27.7929 -27.7929 -12.3615 -12.3615 -12.3096 -12.3096 -12.1060 -12.1060 -12.0494 -12.0494 -12.0405 -12.0405 -12.0222 -12.0222 -11.4710 -11.4710 -11.4600 -11.4600 -11.2147 -11.2147 -11.2082 -11.2082 -11.1987 -11.1987 -11.1931 -11.1931 -7.5034 -7.5034 -7.4985 -7.4985 1.2223 1.2223 1.4758 1.4758 1.7919 1.7919 1.8891 1.8891 1.9111 1.9111 2.0453 2.0453 5.1839 5.1839 5.6330 5.6330 6.4286 6.4286 6.4352 6.4352 6.9647 6.9647 k = 0.5000 0.2887 0.1457 ( 7126 PWs) bands (ev): -28.6685 -28.6685 -28.6603 -28.6603 -27.7931 -27.7931 -27.7929 -27.7929 -12.3637 -12.3637 -12.3085 -12.3085 -12.1072 -12.1072 -12.0469 -12.0469 -12.0410 -12.0410 -12.0216 -12.0216 -11.4714 -11.4714 -11.4596 -11.4596 -11.2148 -11.2148 -11.2078 -11.2078 -11.1990 -11.1990 -11.1930 -11.1930 -7.5038 -7.5038 -7.4986 -7.4986 1.2216 1.2216 1.4961 1.4961 1.7884 1.7884 1.8807 1.8807 1.9143 1.9143 2.0404 2.0404 5.1631 5.1631 5.6470 5.6470 6.3849 6.3849 6.4086 6.4086 6.9881 6.9881 k = 0.5000 0.2887 0.1275 ( 7118 PWs) bands (ev): -28.6687 -28.6687 -28.6601 -28.6601 -27.7931 -27.7931 -27.7928 -27.7928 -12.3658 -12.3658 -12.3076 -12.3076 -12.1082 -12.1082 -12.0448 -12.0448 -12.0414 -12.0414 -12.0210 -12.0210 -11.4717 -11.4717 -11.4593 -11.4593 -11.2149 -11.2149 -11.2075 -11.2075 -11.1993 -11.1993 -11.1929 -11.1929 -7.5042 -7.5042 -7.4987 -7.4987 1.2213 1.2213 1.5158 1.5158 1.7854 1.7854 1.8728 1.8728 1.9175 1.9175 2.0346 2.0346 5.1443 5.1443 5.6618 5.6618 6.3403 6.3403 6.3860 6.3860 7.0104 7.0104 k = 0.5000 0.2887 0.1093 ( 7126 PWs) bands (ev): -28.6689 -28.6689 -28.6599 -28.6599 -27.7931 -27.7931 -27.7928 -27.7928 -12.3676 -12.3676 -12.3067 -12.3067 -12.1090 -12.1090 -12.0432 -12.0432 -12.0414 -12.0414 -12.0205 -12.0205 -11.4720 -11.4720 -11.4591 -11.4591 -11.2150 -11.2150 -11.2071 -11.2071 -11.1996 -11.1996 -11.1928 -11.1928 -7.5046 -7.5046 -7.4988 -7.4988 1.2212 1.2212 1.5345 1.5345 1.7828 1.7828 1.8657 1.8657 1.9203 1.9203 2.0283 2.0283 5.1275 5.1275 5.6772 5.6772 6.2974 6.2974 6.3661 6.3661 7.0311 7.0311 k = 0.5000 0.2887 0.0911 ( 7128 PWs) bands (ev): -28.6691 -28.6691 -28.6597 -28.6597 -27.7931 -27.7931 -27.7928 -27.7928 -12.3691 -12.3691 -12.3061 -12.3061 -12.1098 -12.1098 -12.0428 -12.0428 -12.0404 -12.0404 -12.0201 -12.0201 -11.4723 -11.4723 -11.4588 -11.4588 -11.2151 -11.2151 -11.2068 -11.2068 -11.1999 -11.1999 -11.1927 -11.1927 -7.5049 -7.5049 -7.4989 -7.4989 1.2213 1.2213 1.5516 1.5516 1.7806 1.7806 1.8595 1.8595 1.9225 1.9225 2.0218 2.0218 5.1130 5.1130 5.6928 5.6928 6.2573 6.2573 6.3489 6.3489 7.0471 7.0471 k = 0.5000 0.2887 0.0729 ( 7124 PWs) bands (ev): -28.6692 -28.6692 -28.6596 -28.6596 -27.7931 -27.7931 -27.7928 -27.7928 -12.3704 -12.3704 -12.3055 -12.3055 -12.1103 -12.1103 -12.0430 -12.0430 -12.0391 -12.0391 -12.0197 -12.0197 -11.4725 -11.4725 -11.4586 -11.4586 -11.2152 -11.2152 -11.2065 -11.2065 -11.2002 -11.2002 -11.1927 -11.1927 -7.5051 -7.5051 -7.4990 -7.4990 1.2216 1.2216 1.5667 1.5667 1.7788 1.7788 1.8544 1.8544 1.9243 1.9243 2.0156 2.0156 5.1009 5.1009 5.7080 5.7080 6.2213 6.2213 6.3346 6.3346 7.0551 7.0552 k = 0.5000 0.2887 0.0546 ( 7134 PWs) bands (ev): -28.6693 -28.6693 -28.6595 -28.6595 -27.7931 -27.7931 -27.7929 -27.7929 -12.3715 -12.3715 -12.3051 -12.3051 -12.1108 -12.1108 -12.0432 -12.0432 -12.0380 -12.0380 -12.0195 -12.0195 -11.4727 -11.4727 -11.4585 -11.4585 -11.2153 -11.2153 -11.2063 -11.2063 -11.2004 -11.2004 -11.1927 -11.1927 -7.5053 -7.5053 -7.4991 -7.4991 1.2218 1.2218 1.5793 1.5793 1.7774 1.7774 1.8504 1.8504 1.9256 1.9256 2.0101 2.0101 5.0914 5.0914 5.7221 5.7221 6.1905 6.1905 6.3234 6.3234 7.0614 7.0614 k = 0.5000 0.2887 0.0364 ( 7140 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7931 -27.7931 -27.7929 -27.7929 -12.3722 -12.3722 -12.3048 -12.3048 -12.1111 -12.1111 -12.0433 -12.0433 -12.0372 -12.0372 -12.0193 -12.0193 -11.4728 -11.4728 -11.4584 -11.4584 -11.2153 -11.2153 -11.2061 -11.2061 -11.2006 -11.2006 -11.1926 -11.1926 -7.5055 -7.5055 -7.4991 -7.4991 1.2221 1.2221 1.5887 1.5887 1.7765 1.7765 1.8475 1.8475 1.9263 1.9263 2.0058 2.0058 5.0846 5.0846 5.7337 5.7337 6.1668 6.1668 6.3153 6.3153 7.0659 7.0660 k = 0.5000 0.2887 0.0182 ( 7140 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7932 -27.7932 -27.7929 -27.7929 -12.3727 -12.3727 -12.3046 -12.3046 -12.1113 -12.1113 -12.0434 -12.0434 -12.0367 -12.0367 -12.0191 -12.0191 -11.4729 -11.4729 -11.4583 -11.4583 -11.2154 -11.2154 -11.2060 -11.2060 -11.2007 -11.2007 -11.1926 -11.1926 -7.5056 -7.5056 -7.4991 -7.4991 1.2222 1.2222 1.5946 1.5946 1.7760 1.7760 1.8457 1.8457 1.9267 1.9267 2.0031 2.0031 5.0804 5.0804 5.7414 5.7414 6.1517 6.1517 6.3105 6.3105 7.0685 7.0686 k = 0.5000 0.2887-0.0000 ( 7140 PWs) bands (ev): -28.6695 -28.6695 -28.6594 -28.6594 -27.7932 -27.7932 -27.7929 -27.7929 -12.3728 -12.3728 -12.3046 -12.3046 -12.1113 -12.1113 -12.0434 -12.0434 -12.0365 -12.0365 -12.0191 -12.0191 -11.4729 -11.4729 -11.4583 -11.4583 -11.2154 -11.2154 -11.2060 -11.2060 -11.2007 -11.2007 -11.1926 -11.1926 -7.5056 -7.5056 -7.4991 -7.4991 1.2223 1.2223 1.5966 1.5966 1.7758 1.7758 1.8451 1.8451 1.9269 1.9269 2.0022 2.0022 5.0790 5.0790 5.7442 5.7442 6.1464 6.1464 6.3088 6.3088 7.0684 7.0694 k = 0.3333 0.5774-0.0000 ( 7113 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7930 -27.7930 -27.7930 -27.7930 -12.3731 -12.3731 -12.3050 -12.3050 -12.1115 -12.1115 -12.0450 -12.0450 -12.0369 -12.0369 -12.0204 -12.0204 -11.4671 -11.4671 -11.4636 -11.4636 -11.2087 -11.2087 -11.2085 -11.2085 -11.2064 -11.2064 -11.1928 -11.1928 -7.4976 -7.4976 -7.4955 -7.4955 1.3886 1.3886 1.5419 1.5419 1.5798 1.5798 1.9040 1.9040 1.9335 1.9335 1.9465 1.9465 5.1703 5.1703 5.7926 5.7926 6.2026 6.2026 6.2070 6.2070 6.8671 6.8671 k = 0.3333 0.5774 0.0182 ( 7119 PWs) bands (ev): -28.6694 -28.6694 -28.6594 -28.6594 -27.7930 -27.7930 -27.7930 -27.7930 -12.3730 -12.3730 -12.3050 -12.3050 -12.1115 -12.1115 -12.0450 -12.0450 -12.0370 -12.0370 -12.0204 -12.0204 -11.4671 -11.4671 -11.4636 -11.4636 -11.2087 -11.2087 -11.2085 -11.2085 -11.2064 -11.2064 -11.1928 -11.1928 -7.4976 -7.4976 -7.4955 -7.4955 1.3893 1.3893 1.5408 1.5408 1.5786 1.5786 1.9038 1.9038 1.9343 1.9343 1.9468 1.9468 5.1718 5.1718 5.7939 5.7939 6.2047 6.2047 6.2090 6.2090 6.8655 6.8655 k = 0.3333 0.5774 0.0364 ( 7119 PWs) bands (ev): -28.6693 -28.6693 -28.6594 -28.6594 -27.7930 -27.7930 -27.7930 -27.7930 -12.3725 -12.3725 -12.3052 -12.3052 -12.1113 -12.1113 -12.0449 -12.0449 -12.0375 -12.0375 -12.0205 -12.0205 -11.4671 -11.4671 -11.4636 -11.4636 -11.2087 -11.2087 -11.2086 -11.2086 -11.2063 -11.2063 -11.1929 -11.1929 -7.4975 -7.4975 -7.4954 -7.4954 1.3914 1.3914 1.5378 1.5378 1.5750 1.5750 1.9028 1.9028 1.9366 1.9366 1.9477 1.9477 5.1763 5.1763 5.7977 5.7977 6.2109 6.2109 6.2151 6.2151 6.8609 6.8609 k = 0.3333 0.5774 0.0546 ( 7113 PWs) bands (ev): -28.6692 -28.6692 -28.6595 -28.6595 -27.7930 -27.7930 -27.7930 -27.7930 -12.3718 -12.3718 -12.3055 -12.3055 -12.1110 -12.1110 -12.0449 -12.0449 -12.0384 -12.0384 -12.0206 -12.0206 -11.4671 -11.4671 -11.4636 -11.4636 -11.2087 -11.2087 -11.2087 -11.2087 -11.2061 -11.2061 -11.1929 -11.1929 -7.4974 -7.4974 -7.4953 -7.4953 1.3950 1.3950 1.5328 1.5328 1.5694 1.5694 1.9005 1.9005 1.9404 1.9404 1.9497 1.9497 5.1838 5.1838 5.8039 5.8039 6.2211 6.2211 6.2252 6.2252 6.8534 6.8534 k = 0.3333 0.5774 0.0729 ( 7110 PWs) bands (ev): -28.6691 -28.6691 -28.6596 -28.6596 -27.7930 -27.7930 -27.7930 -27.7930 -12.3708 -12.3708 -12.3059 -12.3059 -12.1106 -12.1106 -12.0448 -12.0448 -12.0395 -12.0395 -12.0207 -12.0207 -11.4671 -11.4671 -11.4635 -11.4635 -11.2088 -11.2088 -11.2088 -11.2088 -11.2059 -11.2059 -11.1929 -11.1929 -7.4973 -7.4973 -7.4952 -7.4952 1.3999 1.3999 1.5263 1.5263 1.5619 1.5619 1.8963 1.8963 1.9454 1.9454 1.9533 1.9533 5.1942 5.1942 5.8122 5.8122 6.2353 6.2353 6.2392 6.2392 6.8436 6.8436 k = 0.3333 0.5774 0.0911 ( 7113 PWs) bands (ev): -28.6690 -28.6690 -28.6597 -28.6597 -27.7930 -27.7930 -27.7930 -27.7930 -12.3695 -12.3695 -12.3065 -12.3065 -12.1100 -12.1100 -12.0446 -12.0446 -12.0410 -12.0410 -12.0209 -12.0209 -11.4671 -11.4671 -11.4635 -11.4635 -11.2090 -11.2090 -11.2088 -11.2088 -11.2057 -11.2057 -11.1930 -11.1930 -7.4971 -7.4971 -7.4950 -7.4950 1.4062 1.4062 1.5183 1.5183 1.5529 1.5529 1.8898 1.8898 1.9514 1.9514 1.9585 1.9585 5.2076 5.2076 5.8220 5.8220 6.2533 6.2533 6.2570 6.2570 6.8321 6.8321 k = 0.3333 0.5774 0.1093 ( 7107 PWs) bands (ev): -28.6688 -28.6688 -28.6599 -28.6599 -27.7930 -27.7930 -27.7930 -27.7930 -12.3679 -12.3679 -12.3071 -12.3071 -12.1093 -12.1093 -12.0444 -12.0444 -12.0427 -12.0427 -12.0211 -12.0211 -11.4671 -11.4671 -11.4634 -11.4634 -11.2091 -11.2091 -11.2088 -11.2088 -11.2054 -11.2054 -11.1931 -11.1931 -7.4969 -7.4969 -7.4949 -7.4949 1.4138 1.4138 1.5093 1.5093 1.5429 1.5429 1.8811 1.8811 1.9581 1.9581 1.9649 1.9649 5.2239 5.2239 5.8328 5.8328 6.2751 6.2751 6.2784 6.2784 6.8197 6.8197 k = 0.3333 0.5774 0.1275 ( 7101 PWs) bands (ev): -28.6686 -28.6686 -28.6601 -28.6601 -27.7930 -27.7930 -27.7930 -27.7930 -12.3661 -12.3661 -12.3079 -12.3079 -12.1085 -12.1085 -12.0447 -12.0447 -12.0442 -12.0442 -12.0213 -12.0213 -11.4671 -11.4671 -11.4634 -11.4634 -11.2093 -11.2093 -11.2088 -11.2088 -11.2052 -11.2052 -11.1932 -11.1932 -7.4967 -7.4967 -7.4946 -7.4946 1.4226 1.4226 1.4995 1.4995 1.5320 1.5320 1.8705 1.8705 1.9653 1.9653 1.9722 1.9722 5.2429 5.2429 5.8439 5.8439 6.3003 6.3003 6.3034 6.3034 6.8074 6.8074 k = 0.3333 0.5774 0.1457 ( 7107 PWs) bands (ev): -28.6684 -28.6684 -28.6603 -28.6603 -27.7930 -27.7930 -27.7930 -27.7930 -12.3641 -12.3641 -12.3088 -12.3088 -12.1075 -12.1075 -12.0470 -12.0470 -12.0440 -12.0440 -12.0215 -12.0215 -11.4671 -11.4671 -11.4633 -11.4633 -11.2094 -11.2094 -11.2088 -11.2088 -11.2049 -11.2049 -11.1933 -11.1933 -7.4965 -7.4965 -7.4944 -7.4944 1.4328 1.4328 1.4893 1.4893 1.5208 1.5208 1.8581 1.8581 1.9727 1.9727 1.9801 1.9801 5.2646 5.2646 5.8543 5.8543 6.3289 6.3289 6.3315 6.3315 6.7963 6.7963 k = 0.3333 0.5774 0.1639 ( 7107 PWs) bands (ev): -28.6682 -28.6682 -28.6606 -28.6606 -27.7930 -27.7930 -27.7930 -27.7930 -12.3619 -12.3619 -12.3099 -12.3099 -12.1064 -12.1064 -12.0495 -12.0495 -12.0438 -12.0438 -12.0218 -12.0218 -11.4671 -11.4671 -11.4633 -11.4633 -11.2096 -11.2096 -11.2089 -11.2089 -11.2046 -11.2046 -11.1934 -11.1934 -7.4962 -7.4962 -7.4941 -7.4941 1.4440 1.4440 1.4789 1.4789 1.5096 1.5096 1.8441 1.8441 1.9801 1.9801 1.9881 1.9881 5.2889 5.2889 5.8630 5.8630 6.3604 6.3604 6.3626 6.3626 6.7877 6.7877 k = 0.3333 0.5774 0.1822 ( 7116 PWs) bands (ev): -28.6679 -28.6679 -28.6608 -28.6608 -27.7930 -27.7930 -27.7930 -27.7930 -12.3595 -12.3595 -12.3111 -12.3111 -12.1052 -12.1052 -12.0522 -12.0522 -12.0436 -12.0436 -12.0220 -12.0220 -11.4672 -11.4672 -11.4632 -11.4632 -11.2097 -11.2097 -11.2089 -11.2089 -11.2044 -11.2044 -11.1935 -11.1935 -7.4960 -7.4960 -7.4939 -7.4939 1.4561 1.4561 1.4685 1.4685 1.4988 1.4988 1.8288 1.8288 1.9875 1.9875 1.9960 1.9960 5.3156 5.3156 5.8689 5.8689 6.3946 6.3946 6.3963 6.3963 6.7830 6.7830 k = 0.3333 0.5774 0.2004 ( 7125 PWs) bands (ev): -28.6676 -28.6676 -28.6611 -28.6611 -27.7930 -27.7930 -27.7930 -27.7930 -12.3570 -12.3570 -12.3125 -12.3125 -12.1038 -12.1038 -12.0550 -12.0550 -12.0433 -12.0433 -12.0223 -12.0223 -11.4672 -11.4672 -11.4632 -11.4632 -11.2098 -11.2098 -11.2089 -11.2089 -11.2042 -11.2042 -11.1937 -11.1937 -7.4957 -7.4957 -7.4936 -7.4936 1.4585 1.4585 1.4682 1.4682 1.4896 1.4896 1.8123 1.8123 1.9944 1.9944 2.0037 2.0037 5.3447 5.3447 5.8710 5.8710 6.4311 6.4311 6.4323 6.4323 6.7835 6.7835 k = 0.3333 0.5774 0.2186 ( 7131 PWs) bands (ev): -28.6673 -28.6673 -28.6615 -28.6615 -27.7930 -27.7930 -27.7930 -27.7930 -12.3543 -12.3543 -12.3140 -12.3140 -12.1023 -12.1023 -12.0579 -12.0579 -12.0431 -12.0431 -12.0226 -12.0226 -11.4672 -11.4672 -11.4631 -11.4631 -11.2099 -11.2099 -11.2089 -11.2089 -11.2039 -11.2039 -11.1938 -11.1938 -7.4955 -7.4955 -7.4934 -7.4934 1.4490 1.4490 1.4723 1.4723 1.4899 1.4899 1.7948 1.7948 2.0010 2.0010 2.0108 2.0108 5.3759 5.3759 5.8683 5.8683 6.4694 6.4694 6.4699 6.4699 6.7903 6.7903 k = 0.3333 0.5774 0.2368 ( 7143 PWs) bands (ev): -28.6670 -28.6670 -28.6618 -28.6618 -27.7930 -27.7930 -27.7930 -27.7930 -12.3516 -12.3516 -12.3156 -12.3156 -12.1006 -12.1006 -12.0610 -12.0610 -12.0428 -12.0428 -12.0228 -12.0228 -11.4672 -11.4672 -11.4631 -11.4631 -11.2100 -11.2100 -11.2090 -11.2090 -11.2037 -11.2037 -11.1939 -11.1939 -7.4952 -7.4952 -7.4932 -7.4932 1.4402 1.4402 1.4654 1.4654 1.5031 1.5031 1.7764 1.7764 2.0070 2.0070 2.0174 2.0174 5.4091 5.4091 5.8602 5.8602 6.5087 6.5087 6.5089 6.5089 6.8043 6.8043 k = 0.3333 0.5774 0.2550 ( 7146 PWs) bands (ev): -28.6667 -28.6667 -28.6621 -28.6621 -27.7930 -27.7930 -27.7930 -27.7930 -12.3487 -12.3487 -12.3174 -12.3174 -12.0987 -12.0987 -12.0641 -12.0641 -12.0426 -12.0426 -12.0231 -12.0231 -11.4672 -11.4672 -11.4630 -11.4630 -11.2101 -11.2101 -11.2090 -11.2090 -11.2035 -11.2035 -11.1941 -11.1941 -7.4950 -7.4950 -7.4929 -7.4929 1.4323 1.4323 1.4575 1.4575 1.5191 1.5191 1.7573 1.7573 2.0124 2.0124 2.0233 2.0233 5.4439 5.4439 5.8466 5.8466 6.5478 6.5478 6.5488 6.5488 6.8258 6.8258 k = 0.3333 0.5774 0.2732 ( 7143 PWs) bands (ev): -28.6663 -28.6663 -28.6625 -28.6625 -27.7930 -27.7930 -27.7930 -27.7930 -12.3459 -12.3459 -12.3193 -12.3193 -12.0967 -12.0967 -12.0672 -12.0672 -12.0424 -12.0424 -12.0233 -12.0233 -11.4672 -11.4672 -11.4630 -11.4630 -11.2102 -11.2102 -11.2090 -11.2090 -11.2033 -11.2033 -11.1942 -11.1942 -7.4948 -7.4948 -7.4927 -7.4927 1.4253 1.4253 1.4503 1.4503 1.5362 1.5362 1.7378 1.7378 2.0170 2.0170 2.0283 2.0283 5.4802 5.4802 5.8274 5.8274 6.5864 6.5864 6.5882 6.5882 6.8549 6.8549 k = 0.3333 0.5774 0.2915 ( 7152 PWs) bands (ev): -28.6659 -28.6659 -28.6629 -28.6629 -27.7930 -27.7930 -27.7930 -27.7930 -12.3430 -12.3430 -12.3214 -12.3214 -12.0946 -12.0946 -12.0702 -12.0702 -12.0422 -12.0422 -12.0235 -12.0235 -11.4672 -11.4672 -11.4629 -11.4629 -11.2102 -11.2102 -11.2090 -11.2090 -11.2031 -11.2031 -11.1943 -11.1943 -7.4947 -7.4947 -7.4926 -7.4926 1.4195 1.4195 1.4442 1.4442 1.5540 1.5540 1.7179 1.7179 2.0208 2.0208 2.0326 2.0326 5.5177 5.5177 5.8033 5.8033 6.6229 6.6229 6.6258 6.6258 6.8913 6.8913 k = 0.3333 0.5774 0.3097 ( 7164 PWs) bands (ev): -28.6656 -28.6656 -28.6633 -28.6633 -27.7930 -27.7930 -27.7930 -27.7930 -12.3402 -12.3402 -12.3236 -12.3236 -12.0925 -12.0925 -12.0731 -12.0731 -12.0421 -12.0421 -12.0237 -12.0237 -11.4672 -11.4672 -11.4629 -11.4629 -11.2103 -11.2103 -11.2090 -11.2090 -11.2030 -11.2030 -11.1943 -11.1943 -7.4945 -7.4945 -7.4924 -7.4924 1.4149 1.4149 1.4394 1.4394 1.5723 1.5723 1.6980 1.6980 2.0239 2.0239 2.0359 2.0359 5.5560 5.5560 5.7749 5.7749 6.6557 6.6557 6.6596 6.6596 6.9343 6.9343 k = 0.3333 0.5774 0.3279 ( 7161 PWs) bands (ev): -28.6652 -28.6652 -28.6637 -28.6637 -27.7930 -27.7930 -27.7930 -27.7930 -12.3376 -12.3376 -12.3258 -12.3258 -12.0904 -12.0904 -12.0758 -12.0758 -12.0420 -12.0420 -12.0238 -12.0238 -11.4672 -11.4672 -11.4629 -11.4629 -11.2103 -11.2103 -11.2090 -11.2090 -11.2029 -11.2029 -11.1944 -11.1944 -7.4944 -7.4944 -7.4923 -7.4923 1.4116 1.4116 1.4358 1.4358 1.5907 1.5907 1.6784 1.6784 2.0261 2.0261 2.0383 2.0383 5.5945 5.5945 5.7430 5.7430 6.6823 6.6823 6.6873 6.6873 6.9832 6.9832 k = 0.3333 0.5774 0.3461 ( 7170 PWs) bands (ev): -28.6648 -28.6648 -28.6640 -28.6640 -27.7931 -27.7931 -27.7931 -27.7931 -12.3352 -12.3352 -12.3278 -12.3278 -12.0885 -12.0885 -12.0780 -12.0780 -12.0419 -12.0419 -12.0239 -12.0239 -11.4672 -11.4672 -11.4629 -11.4629 -11.2103 -11.2103 -11.2091 -11.2091 -11.2029 -11.2029 -11.1944 -11.1944 -7.4944 -7.4944 -7.4923 -7.4923 1.4095 1.4095 1.4337 1.4337 1.6080 1.6080 1.6604 1.6604 2.0274 2.0274 2.0398 2.0398 5.6329 5.6329 5.7085 5.7085 6.7001 6.7001 6.7059 6.7059 7.0370 7.0370 k = 0.3333 0.5774 0.3643 ( 7176 PWs) bands (ev): -28.6645 -28.6645 -28.6644 -28.6644 -27.7931 -27.7931 -27.7931 -27.7931 -12.3340 -12.3340 -12.3289 -12.3289 -12.0877 -12.0877 -12.0789 -12.0789 -12.0419 -12.0419 -12.0239 -12.0239 -11.4672 -11.4672 -11.4629 -11.4629 -11.2104 -11.2104 -11.2091 -11.2091 -11.2029 -11.2029 -11.1945 -11.1945 -7.4944 -7.4944 -7.4923 -7.4923 1.4088 1.4088 1.4330 1.4330 1.6177 1.6177 1.6505 1.6505 2.0279 2.0279 2.0403 2.0403 5.6653 5.6653 5.6773 5.6773 6.7064 6.7064 6.7125 6.7125 7.0492 7.0492 Writing output data file K2S.save init_run : 0.27s CPU 0.40s WALL ( 1 calls) electrons : 370.81s CPU 373.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 370.80s CPU 373.97s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 239 calls) cegterg : 345.73s CPU 348.39s WALL ( 608 calls) Called by sum_band: Called by *egterg: h_psi : 153.20s CPU 155.59s WALL ( 10776 calls) s_psi : 8.08s CPU 8.11s WALL ( 10776 calls) g_psi : 0.20s CPU 0.21s WALL ( 9929 calls) cdiaghg : 172.32s CPU 172.92s WALL ( 10168 calls) cegterg:over : 12.69s CPU 12.74s WALL ( 9929 calls) cegterg:upda : 8.27s CPU 8.06s WALL ( 9929 calls) cegterg:last : 3.36s CPU 3.33s WALL ( 1101 calls) cdiaghg:chol : 6.41s CPU 6.53s WALL ( 10168 calls) cdiaghg:inve : 4.01s CPU 4.10s WALL ( 10168 calls) cdiaghg:para : 11.76s CPU 11.86s WALL ( 20336 calls) Called by h_psi: h_psi:vloc : 134.28s CPU 136.56s WALL ( 10776 calls) h_psi:vnl : 18.79s CPU 18.82s WALL ( 10776 calls) add_vuspsi : 9.79s CPU 9.80s WALL ( 10776 calls) General routines calbec : 8.98s CPU 8.99s WALL ( 10776 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 129.22s CPU 131.55s WALL ( 824900 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.18s WALL ( 478 calls) Parallel routines fft_scatter : 97.92s CPU 99.57s WALL ( 824923 calls) PWSCF : 6m44.94s CPU 7m 4.05s WALL This run was terminated on: 5:51:17 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=