Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:40:38 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SiS2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 43 41 12 1385 1315 200 Max 44 42 13 1391 1328 204 Sum 1555 1507 433 49987 47597 7309 bravais-lattice index = 14 lattice parameter (alat) = 11.1380 a.u. unit-cell volume = 1206.7747 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 182.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.138045 celldm(2)= 1.000000 celldm(3)= 1.008483 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 1.008483 ) 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 0.991588 ) 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 Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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) Si 4.00 28.08550 Si( 1.00) 2 Sym. Ops. (no inversion) found (note: 4 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 - cryst. axis [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 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 C2 2 180 deg rotation - cryst. axis [1,1,0] -C2 -2 180 deg rotation - cryst. axis [1,1,0] E Cartesian axes number of k points= 260 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 2) = ( 0.0161290 0.0093121 -0.0000000), wk = 0.0038462 k( 3) = ( 0.0322581 0.0186242 -0.0000000), wk = 0.0038462 k( 4) = ( 0.0483871 0.0279363 -0.0000000), wk = 0.0038462 k( 5) = ( 0.0645161 0.0372484 -0.0000000), wk = 0.0038462 k( 6) = ( 0.0806452 0.0465605 -0.0000000), wk = 0.0038462 k( 7) = ( 0.0967742 0.0558726 -0.0000000), wk = 0.0038462 k( 8) = ( 0.1129032 0.0651847 -0.0000000), wk = 0.0038462 k( 9) = ( 0.1290323 0.0744968 -0.0000000), wk = 0.0038462 k( 10) = ( 0.1451613 0.0838089 -0.0000000), wk = 0.0038462 k( 11) = ( 0.1612903 0.0931210 -0.0000000), wk = 0.0038462 k( 12) = ( 0.1774194 0.1024331 -0.0000000), wk = 0.0038462 k( 13) = ( 0.1935484 0.1117452 -0.0000000), wk = 0.0038462 k( 14) = ( 0.2096774 0.1210573 -0.0000000), wk = 0.0038462 k( 15) = ( 0.2258064 0.1303694 -0.0000000), wk = 0.0038462 k( 16) = ( 0.2419355 0.1396815 -0.0000000), wk = 0.0038462 k( 17) = ( 0.2580645 0.1489936 -0.0000000), wk = 0.0038462 k( 18) = ( 0.2741936 0.1583057 -0.0000000), wk = 0.0038462 k( 19) = ( 0.2903226 0.1676178 -0.0000000), wk = 0.0038462 k( 20) = ( 0.3064516 0.1769299 -0.0000000), wk = 0.0038462 k( 21) = ( 0.3225807 0.1862420 -0.0000000), wk = 0.0038462 k( 22) = ( 0.3387097 0.1955541 -0.0000000), wk = 0.0038462 k( 23) = ( 0.3548387 0.2048662 -0.0000000), wk = 0.0038462 k( 24) = ( 0.3709677 0.2141783 -0.0000000), wk = 0.0038462 k( 25) = ( 0.3870968 0.2234904 -0.0000000), wk = 0.0038462 k( 26) = ( 0.4032258 0.2328025 -0.0000000), wk = 0.0038462 k( 27) = ( 0.4193548 0.2421146 -0.0000000), wk = 0.0038462 k( 28) = ( 0.4354839 0.2514267 -0.0000000), wk = 0.0038462 k( 29) = ( 0.4516129 0.2607388 -0.0000000), wk = 0.0038462 k( 30) = ( 0.4677419 0.2700509 -0.0000000), wk = 0.0038462 k( 31) = ( 0.4838710 0.2793630 -0.0000000), wk = 0.0038462 k( 32) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0038462 k( 33) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0038462 k( 34) = ( 0.4907407 0.3047126 -0.0000000), wk = 0.0038462 k( 35) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0038462 k( 36) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0038462 k( 37) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0038462 k( 38) = ( 0.4537037 0.3688627 -0.0000000), wk = 0.0038462 k( 39) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0038462 k( 40) = ( 0.4351852 0.4009377 -0.0000000), wk = 0.0038462 k( 41) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0038462 k( 42) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0038462 k( 43) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0038462 k( 44) = ( 0.3981481 0.4650877 -0.0000000), wk = 0.0038462 k( 45) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0038462 k( 46) = ( 0.3796296 0.4971627 -0.0000000), wk = 0.0038462 k( 47) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0038462 k( 48) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0038462 k( 49) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0038462 k( 50) = ( 0.3425926 0.5613128 -0.0000000), wk = 0.0038462 k( 51) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0038462 k( 52) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0038462 k( 53) = ( 0.3240741 0.5613128 -0.0000000), wk = 0.0038462 k( 54) = ( 0.3148148 0.5452752 -0.0000000), wk = 0.0038462 k( 55) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0038462 k( 56) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0038462 k( 57) = ( 0.2870370 0.4971627 -0.0000000), wk = 0.0038462 k( 58) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0038462 k( 59) = ( 0.2685185 0.4650877 -0.0000000), wk = 0.0038462 k( 60) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0038462 k( 61) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0038462 k( 62) = ( 0.2407407 0.4169752 -0.0000000), wk = 0.0038462 k( 63) = ( 0.2314815 0.4009377 -0.0000000), wk = 0.0038462 k( 64) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0038462 k( 65) = ( 0.2129630 0.3688627 -0.0000000), wk = 0.0038462 k( 66) = ( 0.2037037 0.3528252 -0.0000000), wk = 0.0038462 k( 67) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0038462 k( 68) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0038462 k( 69) = ( 0.1759259 0.3047126 -0.0000000), wk = 0.0038462 k( 70) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0038462 k( 71) = ( 0.1574074 0.2726376 -0.0000000), wk = 0.0038462 k( 72) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0038462 k( 73) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0038462 k( 74) = ( 0.1296296 0.2245251 -0.0000000), wk = 0.0038462 k( 75) = ( 0.1203704 0.2084876 -0.0000000), wk = 0.0038462 k( 76) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0038462 k( 77) = ( 0.1018518 0.1764126 -0.0000000), wk = 0.0038462 k( 78) = ( 0.0925926 0.1603751 -0.0000000), wk = 0.0038462 k( 79) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0038462 k( 80) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0038462 k( 81) = ( 0.0648148 0.1122625 -0.0000000), wk = 0.0038462 k( 82) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0038462 k( 83) = ( 0.0462963 0.0801875 -0.0000000), wk = 0.0038462 k( 84) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0038462 k( 85) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0038462 k( 86) = ( 0.0185185 0.0320750 -0.0000000), wk = 0.0038462 k( 87) = ( 0.0092593 0.0160375 -0.0000000), wk = 0.0038462 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 90) = ( 0.0000000 0.0000000 0.0183627), wk = 0.0038462 k( 91) = ( 0.0000000 0.0000000 0.0367255), wk = 0.0038462 k( 92) = ( 0.0000000 0.0000000 0.0550882), wk = 0.0038462 k( 93) = ( 0.0000000 0.0000000 0.0734510), wk = 0.0038462 k( 94) = ( 0.0000000 0.0000000 0.0918137), wk = 0.0038462 k( 95) = ( 0.0000000 0.0000000 0.1101765), wk = 0.0038462 k( 96) = ( 0.0000000 0.0000000 0.1285392), wk = 0.0038462 k( 97) = ( 0.0000000 0.0000000 0.1469020), wk = 0.0038462 k( 98) = ( 0.0000000 0.0000000 0.1652647), wk = 0.0038462 k( 99) = ( 0.0000000 0.0000000 0.1836274), wk = 0.0038462 k( 100) = ( 0.0000000 0.0000000 0.2019902), wk = 0.0038462 k( 101) = ( 0.0000000 0.0000000 0.2203529), wk = 0.0038462 k( 102) = ( 0.0000000 0.0000000 0.2387157), wk = 0.0038462 k( 103) = ( 0.0000000 0.0000000 0.2570784), wk = 0.0038462 k( 104) = ( 0.0000000 0.0000000 0.2754412), wk = 0.0038462 k( 105) = ( 0.0000000 0.0000000 0.2938039), wk = 0.0038462 k( 106) = ( 0.0000000 0.0000000 0.3121666), wk = 0.0038462 k( 107) = ( 0.0000000 0.0000000 0.3305294), wk = 0.0038462 k( 108) = ( 0.0000000 0.0000000 0.3488921), wk = 0.0038462 k( 109) = ( 0.0000000 0.0000000 0.3672549), wk = 0.0038462 k( 110) = ( 0.0000000 0.0000000 0.3856176), wk = 0.0038462 k( 111) = ( 0.0000000 0.0000000 0.4039804), wk = 0.0038462 k( 112) = ( 0.0000000 0.0000000 0.4223431), wk = 0.0038462 k( 113) = ( 0.0000000 0.0000000 0.4407058), wk = 0.0038462 k( 114) = ( 0.0000000 0.0000000 0.4590686), wk = 0.0038462 k( 115) = ( 0.0000000 0.0000000 0.4774313), wk = 0.0038462 k( 116) = ( 0.0000000 0.0000000 0.4957941), wk = 0.0038462 k( 117) = ( 0.0000000 0.0000000 0.4957941), wk = 0.0038462 k( 118) = ( 0.0161290 0.0093121 0.4957941), wk = 0.0038462 k( 119) = ( 0.0322581 0.0186242 0.4957941), wk = 0.0038462 k( 120) = ( 0.0483871 0.0279363 0.4957941), wk = 0.0038462 k( 121) = ( 0.0645161 0.0372484 0.4957941), wk = 0.0038462 k( 122) = ( 0.0806452 0.0465605 0.4957941), wk = 0.0038462 k( 123) = ( 0.0967742 0.0558726 0.4957941), wk = 0.0038462 k( 124) = ( 0.1129032 0.0651847 0.4957941), wk = 0.0038462 k( 125) = ( 0.1290323 0.0744968 0.4957941), wk = 0.0038462 k( 126) = ( 0.1451613 0.0838089 0.4957941), wk = 0.0038462 k( 127) = ( 0.1612903 0.0931210 0.4957941), wk = 0.0038462 k( 128) = ( 0.1774194 0.1024331 0.4957941), wk = 0.0038462 k( 129) = ( 0.1935484 0.1117452 0.4957941), wk = 0.0038462 k( 130) = ( 0.2096774 0.1210573 0.4957941), wk = 0.0038462 k( 131) = ( 0.2258064 0.1303694 0.4957941), wk = 0.0038462 k( 132) = ( 0.2419355 0.1396815 0.4957941), wk = 0.0038462 k( 133) = ( 0.2580645 0.1489936 0.4957941), wk = 0.0038462 k( 134) = ( 0.2741936 0.1583057 0.4957941), wk = 0.0038462 k( 135) = ( 0.2903226 0.1676178 0.4957941), wk = 0.0038462 k( 136) = ( 0.3064516 0.1769299 0.4957941), wk = 0.0038462 k( 137) = ( 0.3225807 0.1862420 0.4957941), wk = 0.0038462 k( 138) = ( 0.3387097 0.1955541 0.4957941), wk = 0.0038462 k( 139) = ( 0.3548387 0.2048662 0.4957941), wk = 0.0038462 k( 140) = ( 0.3709677 0.2141783 0.4957941), wk = 0.0038462 k( 141) = ( 0.3870968 0.2234904 0.4957941), wk = 0.0038462 k( 142) = ( 0.4032258 0.2328025 0.4957941), wk = 0.0038462 k( 143) = ( 0.4193548 0.2421146 0.4957941), wk = 0.0038462 k( 144) = ( 0.4354839 0.2514267 0.4957941), wk = 0.0038462 k( 145) = ( 0.4516129 0.2607388 0.4957941), wk = 0.0038462 k( 146) = ( 0.4677419 0.2700509 0.4957941), wk = 0.0038462 k( 147) = ( 0.4838710 0.2793630 0.4957941), wk = 0.0038462 k( 148) = ( 0.5000000 0.2886751 0.4957941), wk = 0.0038462 k( 149) = ( 0.5000000 0.2886751 0.4957941), wk = 0.0038462 k( 150) = ( 0.4907407 0.3047126 0.4957941), wk = 0.0038462 k( 151) = ( 0.4814815 0.3207502 0.4957941), wk = 0.0038462 k( 152) = ( 0.4722222 0.3367877 0.4957941), wk = 0.0038462 k( 153) = ( 0.4629630 0.3528252 0.4957941), wk = 0.0038462 k( 154) = ( 0.4537037 0.3688627 0.4957941), wk = 0.0038462 k( 155) = ( 0.4444444 0.3849002 0.4957941), wk = 0.0038462 k( 156) = ( 0.4351852 0.4009377 0.4957941), wk = 0.0038462 k( 157) = ( 0.4259259 0.4169752 0.4957941), wk = 0.0038462 k( 158) = ( 0.4166667 0.4330127 0.4957941), wk = 0.0038462 k( 159) = ( 0.4074074 0.4490502 0.4957941), wk = 0.0038462 k( 160) = ( 0.3981481 0.4650877 0.4957941), wk = 0.0038462 k( 161) = ( 0.3888889 0.4811252 0.4957941), wk = 0.0038462 k( 162) = ( 0.3796296 0.4971627 0.4957941), wk = 0.0038462 k( 163) = ( 0.3703704 0.5132002 0.4957941), wk = 0.0038462 k( 164) = ( 0.3611111 0.5292377 0.4957941), wk = 0.0038462 k( 165) = ( 0.3518519 0.5452753 0.4957941), wk = 0.0038462 k( 166) = ( 0.3425926 0.5613128 0.4957941), wk = 0.0038462 k( 167) = ( 0.3333333 0.5773503 0.4957941), wk = 0.0038462 k( 168) = ( 0.3333333 0.5773503 0.4957941), wk = 0.0038462 k( 169) = ( 0.3240741 0.5613128 0.4957941), wk = 0.0038462 k( 170) = ( 0.3148148 0.5452752 0.4957941), wk = 0.0038462 k( 171) = ( 0.3055556 0.5292378 0.4957941), wk = 0.0038462 k( 172) = ( 0.2962963 0.5132002 0.4957941), wk = 0.0038462 k( 173) = ( 0.2870370 0.4971627 0.4957941), wk = 0.0038462 k( 174) = ( 0.2777778 0.4811252 0.4957941), wk = 0.0038462 k( 175) = ( 0.2685185 0.4650877 0.4957941), wk = 0.0038462 k( 176) = ( 0.2592593 0.4490502 0.4957941), wk = 0.0038462 k( 177) = ( 0.2500000 0.4330127 0.4957941), wk = 0.0038462 k( 178) = ( 0.2407407 0.4169752 0.4957941), wk = 0.0038462 k( 179) = ( 0.2314815 0.4009377 0.4957941), wk = 0.0038462 k( 180) = ( 0.2222222 0.3849002 0.4957941), wk = 0.0038462 k( 181) = ( 0.2129630 0.3688627 0.4957941), wk = 0.0038462 k( 182) = ( 0.2037037 0.3528252 0.4957941), wk = 0.0038462 k( 183) = ( 0.1944444 0.3367876 0.4957941), wk = 0.0038462 k( 184) = ( 0.1851852 0.3207502 0.4957941), wk = 0.0038462 k( 185) = ( 0.1759259 0.3047126 0.4957941), wk = 0.0038462 k( 186) = ( 0.1666667 0.2886751 0.4957941), wk = 0.0038462 k( 187) = ( 0.1574074 0.2726376 0.4957941), wk = 0.0038462 k( 188) = ( 0.1481482 0.2566001 0.4957941), wk = 0.0038462 k( 189) = ( 0.1388889 0.2405626 0.4957941), wk = 0.0038462 k( 190) = ( 0.1296296 0.2245251 0.4957941), wk = 0.0038462 k( 191) = ( 0.1203704 0.2084876 0.4957941), wk = 0.0038462 k( 192) = ( 0.1111111 0.1924501 0.4957941), wk = 0.0038462 k( 193) = ( 0.1018518 0.1764126 0.4957941), wk = 0.0038462 k( 194) = ( 0.0925926 0.1603751 0.4957941), wk = 0.0038462 k( 195) = ( 0.0833333 0.1443376 0.4957941), wk = 0.0038462 k( 196) = ( 0.0740741 0.1283001 0.4957941), wk = 0.0038462 k( 197) = ( 0.0648148 0.1122625 0.4957941), wk = 0.0038462 k( 198) = ( 0.0555556 0.0962251 0.4957941), wk = 0.0038462 k( 199) = ( 0.0462963 0.0801875 0.4957941), wk = 0.0038462 k( 200) = ( 0.0370370 0.0641500 0.4957941), wk = 0.0038462 k( 201) = ( 0.0277778 0.0481125 0.4957941), wk = 0.0038462 k( 202) = ( 0.0185185 0.0320750 0.4957941), wk = 0.0038462 k( 203) = ( 0.0092593 0.0160375 0.4957941), wk = 0.0038462 k( 204) = ( 0.0000000 0.0000000 0.4957941), wk = 0.0038462 k( 205) = ( 0.5000000 0.2886751 0.4957941), wk = 0.0038462 k( 206) = ( 0.5000000 0.2886751 0.4774313), wk = 0.0038462 k( 207) = ( 0.5000000 0.2886751 0.4590686), wk = 0.0038462 k( 208) = ( 0.5000000 0.2886751 0.4407058), wk = 0.0038462 k( 209) = ( 0.5000000 0.2886751 0.4223431), wk = 0.0038462 k( 210) = ( 0.5000000 0.2886751 0.4039804), wk = 0.0038462 k( 211) = ( 0.5000000 0.2886751 0.3856176), wk = 0.0038462 k( 212) = ( 0.5000000 0.2886751 0.3672549), wk = 0.0038462 k( 213) = ( 0.5000000 0.2886751 0.3488921), wk = 0.0038462 k( 214) = ( 0.5000000 0.2886751 0.3305294), wk = 0.0038462 k( 215) = ( 0.5000000 0.2886751 0.3121666), wk = 0.0038462 k( 216) = ( 0.5000000 0.2886751 0.2938039), wk = 0.0038462 k( 217) = ( 0.5000000 0.2886751 0.2754412), wk = 0.0038462 k( 218) = ( 0.5000000 0.2886751 0.2570784), wk = 0.0038462 k( 219) = ( 0.5000000 0.2886751 0.2387157), wk = 0.0038462 k( 220) = ( 0.5000000 0.2886751 0.2203529), wk = 0.0038462 k( 221) = ( 0.5000000 0.2886751 0.2019902), wk = 0.0038462 k( 222) = ( 0.5000000 0.2886751 0.1836274), wk = 0.0038462 k( 223) = ( 0.5000000 0.2886751 0.1652647), wk = 0.0038462 k( 224) = ( 0.5000000 0.2886751 0.1469020), wk = 0.0038462 k( 225) = ( 0.5000000 0.2886751 0.1285392), wk = 0.0038462 k( 226) = ( 0.5000000 0.2886751 0.1101765), wk = 0.0038462 k( 227) = ( 0.5000000 0.2886751 0.0918137), wk = 0.0038462 k( 228) = ( 0.5000000 0.2886751 0.0734510), wk = 0.0038462 k( 229) = ( 0.5000000 0.2886751 0.0550882), wk = 0.0038462 k( 230) = ( 0.5000000 0.2886751 0.0367255), wk = 0.0038462 k( 231) = ( 0.5000000 0.2886751 0.0183627), wk = 0.0038462 k( 232) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0038462 k( 233) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0038462 k( 234) = ( 0.3333333 0.5773503 0.0183627), wk = 0.0038462 k( 235) = ( 0.3333333 0.5773503 0.0367255), wk = 0.0038462 k( 236) = ( 0.3333333 0.5773503 0.0550882), wk = 0.0038462 k( 237) = ( 0.3333333 0.5773503 0.0734510), wk = 0.0038462 k( 238) = ( 0.3333333 0.5773503 0.0918137), wk = 0.0038462 k( 239) = ( 0.3333333 0.5773503 0.1101765), wk = 0.0038462 k( 240) = ( 0.3333333 0.5773503 0.1285392), wk = 0.0038462 k( 241) = ( 0.3333333 0.5773503 0.1469020), wk = 0.0038462 k( 242) = ( 0.3333333 0.5773503 0.1652647), wk = 0.0038462 k( 243) = ( 0.3333333 0.5773503 0.1836274), wk = 0.0038462 k( 244) = ( 0.3333333 0.5773503 0.2019902), wk = 0.0038462 k( 245) = ( 0.3333333 0.5773503 0.2203529), wk = 0.0038462 k( 246) = ( 0.3333333 0.5773503 0.2387157), wk = 0.0038462 k( 247) = ( 0.3333333 0.5773503 0.2570784), wk = 0.0038462 k( 248) = ( 0.3333333 0.5773503 0.2754412), wk = 0.0038462 k( 249) = ( 0.3333333 0.5773503 0.2938039), wk = 0.0038462 k( 250) = ( 0.3333333 0.5773503 0.3121666), wk = 0.0038462 k( 251) = ( 0.3333333 0.5773503 0.3305294), wk = 0.0038462 k( 252) = ( 0.3333333 0.5773503 0.3488921), wk = 0.0038462 k( 253) = ( 0.3333333 0.5773503 0.3672549), wk = 0.0038462 k( 254) = ( 0.3333333 0.5773503 0.3856176), wk = 0.0038462 k( 255) = ( 0.3333333 0.5773503 0.4039804), wk = 0.0038462 k( 256) = ( 0.3333333 0.5773503 0.4223431), wk = 0.0038462 k( 257) = ( 0.3333333 0.5773503 0.4407058), wk = 0.0038462 k( 258) = ( 0.3333333 0.5773503 0.4590686), wk = 0.0038462 k( 259) = ( 0.3333333 0.5773503 0.4774313), wk = 0.0038462 k( 260) = ( 0.3333333 0.5773503 0.4957941), wk = 0.0038462 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 2) = ( 0.0161290 -0.0000000 -0.0000000), wk = 0.0038462 k( 3) = ( 0.0322581 -0.0000000 -0.0000000), wk = 0.0038462 k( 4) = ( 0.0483871 0.0000000 -0.0000000), wk = 0.0038462 k( 5) = ( 0.0645161 -0.0000000 -0.0000000), wk = 0.0038462 k( 6) = ( 0.0806452 0.0000000 -0.0000000), wk = 0.0038462 k( 7) = ( 0.0967742 0.0000000 0.0000000), wk = 0.0038462 k( 8) = ( 0.1129032 0.0000000 -0.0000000), wk = 0.0038462 k( 9) = ( 0.1290323 -0.0000000 -0.0000000), wk = 0.0038462 k( 10) = ( 0.1451613 0.0000000 -0.0000000), wk = 0.0038462 k( 11) = ( 0.1612903 0.0000000 -0.0000000), wk = 0.0038462 k( 12) = ( 0.1774194 0.0000000 -0.0000000), wk = 0.0038462 k( 13) = ( 0.1935484 0.0000000 -0.0000000), wk = 0.0038462 k( 14) = ( 0.2096774 0.0000000 -0.0000000), wk = 0.0038462 k( 15) = ( 0.2258064 -0.0000000 -0.0000000), wk = 0.0038462 k( 16) = ( 0.2419355 0.0000000 -0.0000000), wk = 0.0038462 k( 17) = ( 0.2580645 -0.0000000 -0.0000000), wk = 0.0038462 k( 18) = ( 0.2741936 -0.0000000 -0.0000000), wk = 0.0038462 k( 19) = ( 0.2903226 0.0000000 -0.0000000), wk = 0.0038462 k( 20) = ( 0.3064516 0.0000000 -0.0000000), wk = 0.0038462 k( 21) = ( 0.3225807 -0.0000000 -0.0000000), wk = 0.0038462 k( 22) = ( 0.3387097 0.0000000 -0.0000000), wk = 0.0038462 k( 23) = ( 0.3548387 0.0000000 -0.0000000), wk = 0.0038462 k( 24) = ( 0.3709677 0.0000000 -0.0000000), wk = 0.0038462 k( 25) = ( 0.3870968 -0.0000000 -0.0000000), wk = 0.0038462 k( 26) = ( 0.4032258 0.0000000 0.0000000), wk = 0.0038462 k( 27) = ( 0.4193548 0.0000000 -0.0000000), wk = 0.0038462 k( 28) = ( 0.4354839 -0.0000000 -0.0000000), wk = 0.0038462 k( 29) = ( 0.4516129 -0.0000000 -0.0000000), wk = 0.0038462 k( 30) = ( 0.4677419 0.0000000 -0.0000000), wk = 0.0038462 k( 31) = ( 0.4838710 0.0000000 -0.0000000), wk = 0.0038462 k( 32) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0038462 k( 33) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0038462 k( 34) = ( 0.4907407 0.0185185 -0.0000000), wk = 0.0038462 k( 35) = ( 0.4814815 0.0370370 -0.0000000), wk = 0.0038462 k( 36) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0038462 k( 37) = ( 0.4629630 0.0740741 -0.0000000), wk = 0.0038462 k( 38) = ( 0.4537037 0.0925926 -0.0000000), wk = 0.0038462 k( 39) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0038462 k( 40) = ( 0.4351852 0.1296296 -0.0000000), wk = 0.0038462 k( 41) = ( 0.4259259 0.1481482 -0.0000000), wk = 0.0038462 k( 42) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0038462 k( 43) = ( 0.4074074 0.1851852 0.0000000), wk = 0.0038462 k( 44) = ( 0.3981481 0.2037037 0.0000000), wk = 0.0038462 k( 45) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0038462 k( 46) = ( 0.3796296 0.2407407 -0.0000000), wk = 0.0038462 k( 47) = ( 0.3703704 0.2592593 0.0000000), wk = 0.0038462 k( 48) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0038462 k( 49) = ( 0.3518519 0.2962963 0.0000000), wk = 0.0038462 k( 50) = ( 0.3425926 0.3148148 -0.0000000), wk = 0.0038462 k( 51) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0038462 k( 52) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0038462 k( 53) = ( 0.3240741 0.3240741 -0.0000000), wk = 0.0038462 k( 54) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0038462 k( 55) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0038462 k( 56) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0038462 k( 57) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0038462 k( 58) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0038462 k( 59) = ( 0.2685185 0.2685185 -0.0000000), wk = 0.0038462 k( 60) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0038462 k( 61) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0038462 k( 62) = ( 0.2407407 0.2407407 -0.0000000), wk = 0.0038462 k( 63) = ( 0.2314815 0.2314815 -0.0000000), wk = 0.0038462 k( 64) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0038462 k( 65) = ( 0.2129630 0.2129630 0.0000000), wk = 0.0038462 k( 66) = ( 0.2037037 0.2037037 0.0000000), wk = 0.0038462 k( 67) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0038462 k( 68) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0038462 k( 69) = ( 0.1759259 0.1759259 -0.0000000), wk = 0.0038462 k( 70) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0038462 k( 71) = ( 0.1574074 0.1574074 0.0000000), wk = 0.0038462 k( 72) = ( 0.1481482 0.1481482 0.0000000), wk = 0.0038462 k( 73) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0038462 k( 74) = ( 0.1296296 0.1296296 -0.0000000), wk = 0.0038462 k( 75) = ( 0.1203704 0.1203704 -0.0000000), wk = 0.0038462 k( 76) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0038462 k( 77) = ( 0.1018518 0.1018519 0.0000000), wk = 0.0038462 k( 78) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0038462 k( 79) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0038462 k( 80) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0038462 k( 81) = ( 0.0648148 0.0648148 -0.0000000), wk = 0.0038462 k( 82) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0038462 k( 83) = ( 0.0462963 0.0462963 -0.0000000), wk = 0.0038462 k( 84) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0038462 k( 85) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0038462 k( 86) = ( 0.0185185 0.0185185 -0.0000000), wk = 0.0038462 k( 87) = ( 0.0092593 0.0092593 -0.0000000), wk = 0.0038462 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 90) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0038462 k( 91) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0038462 k( 92) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0038462 k( 93) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0038462 k( 94) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0038462 k( 95) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0038462 k( 96) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0038462 k( 97) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0038462 k( 98) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0038462 k( 99) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0038462 k( 100) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0038462 k( 101) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0038462 k( 102) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0038462 k( 103) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0038462 k( 104) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0038462 k( 105) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0038462 k( 106) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0038462 k( 107) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0038462 k( 108) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0038462 k( 109) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0038462 k( 110) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0038462 k( 111) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0038462 k( 112) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0038462 k( 113) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0038462 k( 114) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0038462 k( 115) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0038462 k( 116) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038462 k( 117) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038462 k( 118) = ( 0.0161290 -0.0000000 0.5000000), wk = 0.0038462 k( 119) = ( 0.0322581 -0.0000000 0.5000000), wk = 0.0038462 k( 120) = ( 0.0483871 0.0000000 0.5000000), wk = 0.0038462 k( 121) = ( 0.0645161 -0.0000000 0.5000000), wk = 0.0038462 k( 122) = ( 0.0806452 0.0000000 0.5000000), wk = 0.0038462 k( 123) = ( 0.0967742 0.0000000 0.5000000), wk = 0.0038462 k( 124) = ( 0.1129032 0.0000000 0.5000000), wk = 0.0038462 k( 125) = ( 0.1290323 -0.0000000 0.5000000), wk = 0.0038462 k( 126) = ( 0.1451613 0.0000000 0.5000000), wk = 0.0038462 k( 127) = ( 0.1612903 0.0000000 0.5000000), wk = 0.0038462 k( 128) = ( 0.1774194 0.0000000 0.5000000), wk = 0.0038462 k( 129) = ( 0.1935484 0.0000000 0.5000000), wk = 0.0038462 k( 130) = ( 0.2096774 0.0000000 0.5000000), wk = 0.0038462 k( 131) = ( 0.2258064 -0.0000000 0.5000000), wk = 0.0038462 k( 132) = ( 0.2419355 0.0000000 0.5000000), wk = 0.0038462 k( 133) = ( 0.2580645 -0.0000000 0.5000000), wk = 0.0038462 k( 134) = ( 0.2741936 -0.0000000 0.5000000), wk = 0.0038462 k( 135) = ( 0.2903226 0.0000000 0.5000000), wk = 0.0038462 k( 136) = ( 0.3064516 0.0000000 0.5000000), wk = 0.0038462 k( 137) = ( 0.3225807 -0.0000000 0.5000000), wk = 0.0038462 k( 138) = ( 0.3387097 0.0000000 0.5000000), wk = 0.0038462 k( 139) = ( 0.3548387 0.0000000 0.5000000), wk = 0.0038462 k( 140) = ( 0.3709677 0.0000000 0.5000000), wk = 0.0038462 k( 141) = ( 0.3870968 -0.0000000 0.5000000), wk = 0.0038462 k( 142) = ( 0.4032258 0.0000000 0.5000000), wk = 0.0038462 k( 143) = ( 0.4193548 0.0000000 0.5000000), wk = 0.0038462 k( 144) = ( 0.4354839 -0.0000000 0.5000000), wk = 0.0038462 k( 145) = ( 0.4516129 -0.0000000 0.5000000), wk = 0.0038462 k( 146) = ( 0.4677419 0.0000000 0.5000000), wk = 0.0038462 k( 147) = ( 0.4838710 0.0000000 0.5000000), wk = 0.0038462 k( 148) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038462 k( 149) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038462 k( 150) = ( 0.4907407 0.0185185 0.5000000), wk = 0.0038462 k( 151) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0038462 k( 152) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0038462 k( 153) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0038462 k( 154) = ( 0.4537037 0.0925926 0.5000000), wk = 0.0038462 k( 155) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0038462 k( 156) = ( 0.4351852 0.1296296 0.5000000), wk = 0.0038462 k( 157) = ( 0.4259259 0.1481482 0.5000000), wk = 0.0038462 k( 158) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0038462 k( 159) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0038462 k( 160) = ( 0.3981481 0.2037037 0.5000000), wk = 0.0038462 k( 161) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0038462 k( 162) = ( 0.3796296 0.2407407 0.5000000), wk = 0.0038462 k( 163) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0038462 k( 164) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0038462 k( 165) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0038462 k( 166) = ( 0.3425926 0.3148148 0.5000000), wk = 0.0038462 k( 167) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0038462 k( 168) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0038462 k( 169) = ( 0.3240741 0.3240741 0.5000000), wk = 0.0038462 k( 170) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0038462 k( 171) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0038462 k( 172) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0038462 k( 173) = ( 0.2870370 0.2870370 0.5000000), wk = 0.0038462 k( 174) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0038462 k( 175) = ( 0.2685185 0.2685185 0.5000000), wk = 0.0038462 k( 176) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0038462 k( 177) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0038462 k( 178) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0038462 k( 179) = ( 0.2314815 0.2314815 0.5000000), wk = 0.0038462 k( 180) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0038462 k( 181) = ( 0.2129630 0.2129630 0.5000000), wk = 0.0038462 k( 182) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0038462 k( 183) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0038462 k( 184) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0038462 k( 185) = ( 0.1759259 0.1759259 0.5000000), wk = 0.0038462 k( 186) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0038462 k( 187) = ( 0.1574074 0.1574074 0.5000000), wk = 0.0038462 k( 188) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0038462 k( 189) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0038462 k( 190) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0038462 k( 191) = ( 0.1203704 0.1203704 0.5000000), wk = 0.0038462 k( 192) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0038462 k( 193) = ( 0.1018518 0.1018519 0.5000000), wk = 0.0038462 k( 194) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0038462 k( 195) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0038462 k( 196) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0038462 k( 197) = ( 0.0648148 0.0648148 0.5000000), wk = 0.0038462 k( 198) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0038462 k( 199) = ( 0.0462963 0.0462963 0.5000000), wk = 0.0038462 k( 200) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0038462 k( 201) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0038462 k( 202) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0038462 k( 203) = ( 0.0092593 0.0092593 0.5000000), wk = 0.0038462 k( 204) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038462 k( 205) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038462 k( 206) = ( 0.5000000 0.0000000 0.4814815), wk = 0.0038462 k( 207) = ( 0.5000000 0.0000000 0.4629630), wk = 0.0038462 k( 208) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0038462 k( 209) = ( 0.5000000 0.0000000 0.4259259), wk = 0.0038462 k( 210) = ( 0.5000000 0.0000000 0.4074074), wk = 0.0038462 k( 211) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0038462 k( 212) = ( 0.5000000 0.0000000 0.3703704), wk = 0.0038462 k( 213) = ( 0.5000000 0.0000000 0.3518519), wk = 0.0038462 k( 214) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0038462 k( 215) = ( 0.5000000 0.0000000 0.3148148), wk = 0.0038462 k( 216) = ( 0.5000000 0.0000000 0.2962963), wk = 0.0038462 k( 217) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0038462 k( 218) = ( 0.5000000 0.0000000 0.2592593), wk = 0.0038462 k( 219) = ( 0.5000000 0.0000000 0.2407407), wk = 0.0038462 k( 220) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0038462 k( 221) = ( 0.5000000 0.0000000 0.2037037), wk = 0.0038462 k( 222) = ( 0.5000000 0.0000000 0.1851852), wk = 0.0038462 k( 223) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0038462 k( 224) = ( 0.5000000 0.0000000 0.1481482), wk = 0.0038462 k( 225) = ( 0.5000000 0.0000000 0.1296296), wk = 0.0038462 k( 226) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0038462 k( 227) = ( 0.5000000 0.0000000 0.0925926), wk = 0.0038462 k( 228) = ( 0.5000000 0.0000000 0.0740741), wk = 0.0038462 k( 229) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0038462 k( 230) = ( 0.5000000 0.0000000 0.0370370), wk = 0.0038462 k( 231) = ( 0.5000000 0.0000000 0.0185185), wk = 0.0038462 k( 232) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0038462 k( 233) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0038462 k( 234) = ( 0.3333333 0.3333333 0.0185185), wk = 0.0038462 k( 235) = ( 0.3333333 0.3333333 0.0370370), wk = 0.0038462 k( 236) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0038462 k( 237) = ( 0.3333333 0.3333333 0.0740741), wk = 0.0038462 k( 238) = ( 0.3333333 0.3333333 0.0925926), wk = 0.0038462 k( 239) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0038462 k( 240) = ( 0.3333333 0.3333333 0.1296296), wk = 0.0038462 k( 241) = ( 0.3333333 0.3333333 0.1481482), wk = 0.0038462 k( 242) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0038462 k( 243) = ( 0.3333333 0.3333333 0.1851852), wk = 0.0038462 k( 244) = ( 0.3333333 0.3333333 0.2037037), wk = 0.0038462 k( 245) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0038462 k( 246) = ( 0.3333333 0.3333333 0.2407407), wk = 0.0038462 k( 247) = ( 0.3333333 0.3333333 0.2592593), wk = 0.0038462 k( 248) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0038462 k( 249) = ( 0.3333333 0.3333333 0.2962963), wk = 0.0038462 k( 250) = ( 0.3333333 0.3333333 0.3148148), wk = 0.0038462 k( 251) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0038462 k( 252) = ( 0.3333333 0.3333333 0.3518519), wk = 0.0038462 k( 253) = ( 0.3333333 0.3333333 0.3703704), wk = 0.0038462 k( 254) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0038462 k( 255) = ( 0.3333333 0.3333333 0.4074074), wk = 0.0038462 k( 256) = ( 0.3333333 0.3333333 0.4259259), wk = 0.0038462 k( 257) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0038462 k( 258) = ( 0.3333333 0.3333333 0.4629630), wk = 0.0038462 k( 259) = ( 0.3333333 0.3333333 0.4814815), wk = 0.0038462 k( 260) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0038462 Dense grid: 49987 G-vectors FFT dimensions: ( 48, 48, 50) Smooth grid: 47597 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 336, 58) NL pseudopotentials 0.78 Mb ( 168, 306) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1387) G-vector shells 0.01 Mb ( 687) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.19 Mb ( 336, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.54 Mb ( 306, 2, 58) The potential is recalculated from file : ./SiS2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.7 secs Computing kpt #: 5 total cpu time spent up to now is 6.7 secs Computing kpt #: 6 total cpu time spent up to now is 7.6 secs Computing kpt #: 7 total cpu time spent up to now is 8.6 secs Computing kpt #: 8 total cpu time spent up to now is 9.5 secs Computing kpt #: 9 total cpu time spent up to now is 10.4 secs Computing kpt #: 10 total cpu time spent up to now is 11.3 secs Computing kpt #: 11 total cpu time spent up to now is 12.2 secs Computing kpt #: 12 total cpu time spent up to now is 13.2 secs Computing kpt #: 13 total cpu time spent up to now is 14.1 secs Computing kpt #: 14 total cpu time spent up to now is 15.0 secs Computing kpt #: 15 total cpu time spent up to now is 15.8 secs Computing kpt #: 16 total cpu time spent up to now is 16.6 secs Computing kpt #: 17 total cpu time spent up to now is 17.5 secs Computing kpt #: 18 total cpu time spent up to now is 18.3 secs Computing kpt #: 19 total cpu time spent up to now is 19.3 secs Computing kpt #: 20 total cpu time spent up to now is 20.3 secs Computing kpt #: 21 total cpu time spent up to now is 21.3 secs Computing kpt #: 22 total cpu time spent up to now is 22.3 secs Computing kpt #: 23 total cpu time spent up to now is 23.7 secs Computing kpt #: 24 total cpu time spent up to now is 24.7 secs Computing kpt #: 25 total cpu time spent up to now is 25.7 secs Computing kpt #: 26 total cpu time spent up to now is 26.8 secs Computing kpt #: 27 total cpu time spent up to now is 27.8 secs Computing kpt #: 28 total cpu time spent up to now is 28.9 secs Computing kpt #: 29 total cpu time spent up to now is 30.0 secs Computing kpt #: 30 total cpu time spent up to now is 31.0 secs Computing kpt #: 31 total cpu time spent up to now is 32.1 secs Computing kpt #: 32 total cpu time spent up to now is 33.1 secs Computing kpt #: 33 total cpu time spent up to now is 34.1 secs Computing kpt #: 34 total cpu time spent up to now is 35.2 secs Computing kpt #: 35 total cpu time spent up to now is 36.1 secs Computing kpt #: 36 total cpu time spent up to now is 37.2 secs Computing kpt #: 37 total cpu time spent up to now is 38.2 secs Computing kpt #: 38 total cpu time spent up to now is 39.3 secs Computing kpt #: 39 total cpu time spent up to now is 40.3 secs Computing kpt #: 40 total cpu time spent up to now is 41.3 secs Computing kpt #: 41 total cpu time spent up to now is 42.3 secs Computing kpt #: 42 total cpu time spent up to now is 43.3 secs Computing kpt #: 43 total cpu time spent up to now is 44.4 secs Computing kpt #: 44 total cpu time spent up to now is 45.4 secs Computing kpt #: 45 total cpu time spent up to now is 46.5 secs Computing kpt #: 46 total cpu time spent up to now is 47.5 secs Computing kpt #: 47 total cpu time spent up to now is 48.5 secs Computing kpt #: 48 total cpu time spent up to now is 49.6 secs Computing kpt #: 49 total cpu time spent up to now is 50.7 secs Computing kpt #: 50 total cpu time spent up to now is 51.8 secs Computing kpt #: 51 total cpu time spent up to now is 52.8 secs Computing kpt #: 52 total cpu time spent up to now is 53.9 secs Computing kpt #: 53 total cpu time spent up to now is 54.9 secs Computing kpt #: 54 total cpu time spent up to now is 56.0 secs Computing kpt #: 55 total cpu time spent up to now is 57.0 secs Computing kpt #: 56 total cpu time spent up to now is 58.2 secs Computing kpt #: 57 total cpu time spent up to now is 59.2 secs Computing kpt #: 58 total cpu time spent up to now is 60.4 secs Computing kpt #: 59 total cpu time spent up to now is 61.4 secs Computing kpt #: 60 total cpu time spent up to now is 62.5 secs Computing kpt #: 61 total cpu time spent up to now is 63.5 secs Computing kpt #: 62 total cpu time spent up to now is 64.5 secs Computing kpt #: 63 total cpu time spent up to now is 65.5 secs Computing kpt #: 64 total cpu time spent up to now is 66.5 secs Computing kpt #: 65 total cpu time spent up to now is 67.4 secs Computing kpt #: 66 total cpu time spent up to now is 68.4 secs Computing kpt #: 67 total cpu time spent up to now is 69.3 secs Computing kpt #: 68 total cpu time spent up to now is 70.2 secs Computing kpt #: 69 total cpu time spent up to now is 71.1 secs Computing kpt #: 70 total cpu time spent up to now is 72.0 secs Computing kpt #: 71 total cpu time spent up to now is 73.0 secs Computing kpt #: 72 total cpu time spent up to now is 73.9 secs Computing kpt #: 73 total cpu time spent up to now is 74.8 secs Computing kpt #: 74 total cpu time spent up to now is 75.7 secs Computing kpt #: 75 total cpu time spent up to now is 76.6 secs Computing kpt #: 76 total cpu time spent up to now is 77.6 secs Computing kpt #: 77 total cpu time spent up to now is 78.5 secs Computing kpt #: 78 total cpu time spent up to now is 79.4 secs Computing kpt #: 79 total cpu time spent up to now is 80.3 secs Computing kpt #: 80 total cpu time spent up to now is 81.2 secs Computing kpt #: 81 total cpu time spent up to now is 82.0 secs Computing kpt #: 82 total cpu time spent up to now is 83.0 secs Computing kpt #: 83 total cpu time spent up to now is 83.9 secs Computing kpt #: 84 total cpu time spent up to now is 84.7 secs Computing kpt #: 85 total cpu time spent up to now is 85.6 secs Computing kpt #: 86 total cpu time spent up to now is 86.5 secs Computing kpt #: 87 total cpu time spent up to now is 87.3 secs Computing kpt #: 88 total cpu time spent up to now is 88.1 secs Computing kpt #: 89 total cpu time spent up to now is 88.9 secs Computing kpt #: 90 total cpu time spent up to now is 89.7 secs Computing kpt #: 91 total cpu time spent up to now is 90.6 secs Computing kpt #: 92 total cpu time spent up to now is 91.6 secs Computing kpt #: 93 total cpu time spent up to now is 92.5 secs Computing kpt #: 94 total cpu time spent up to now is 93.6 secs Computing kpt #: 95 total cpu time spent up to now is 94.7 secs Computing kpt #: 96 total cpu time spent up to now is 95.9 secs Computing kpt #: 97 total cpu time spent up to now is 97.1 secs Computing kpt #: 98 total cpu time spent up to now is 98.3 secs Computing kpt #: 99 total cpu time spent up to now is 99.5 secs Computing kpt #: 100 total cpu time spent up to now is 100.8 secs Computing kpt #: 101 total cpu time spent up to now is 102.1 secs Computing kpt #: 102 total cpu time spent up to now is 103.4 secs Computing kpt #: 103 total cpu time spent up to now is 104.7 secs Computing kpt #: 104 total cpu time spent up to now is 105.9 secs Computing kpt #: 105 total cpu time spent up to now is 106.9 secs Computing kpt #: 106 total cpu time spent up to now is 108.0 secs Computing kpt #: 107 total cpu time spent up to now is 108.9 secs Computing kpt #: 108 total cpu time spent up to now is 109.9 secs Computing kpt #: 109 total cpu time spent up to now is 110.9 secs Computing kpt #: 110 total cpu time spent up to now is 111.9 secs Computing kpt #: 111 total cpu time spent up to now is 112.9 secs Computing kpt #: 112 total cpu time spent up to now is 113.8 secs Computing kpt #: 113 total cpu time spent up to now is 114.7 secs Computing kpt #: 114 total cpu time spent up to now is 115.5 secs Computing kpt #: 115 total cpu time spent up to now is 116.3 secs Computing kpt #: 116 total cpu time spent up to now is 117.1 secs Computing kpt #: 117 total cpu time spent up to now is 117.9 secs Computing kpt #: 118 total cpu time spent up to now is 118.7 secs Computing kpt #: 119 total cpu time spent up to now is 119.5 secs Computing kpt #: 120 total cpu time spent up to now is 120.3 secs Computing kpt #: 121 total cpu time spent up to now is 121.1 secs Computing kpt #: 122 total cpu time spent up to now is 121.9 secs Computing kpt #: 123 total cpu time spent up to now is 122.7 secs Computing kpt #: 124 total cpu time spent up to now is 123.5 secs Computing kpt #: 125 total cpu time spent up to now is 124.3 secs Computing kpt #: 126 total cpu time spent up to now is 125.1 secs Computing kpt #: 127 total cpu time spent up to now is 125.9 secs Computing kpt #: 128 total cpu time spent up to now is 126.7 secs Computing kpt #: 129 total cpu time spent up to now is 127.5 secs Computing kpt #: 130 total cpu time spent up to now is 128.3 secs Computing kpt #: 131 total cpu time spent up to now is 129.1 secs Computing kpt #: 132 total cpu time spent up to now is 129.9 secs Computing kpt #: 133 total cpu time spent up to now is 130.7 secs Computing kpt #: 134 total cpu time spent up to now is 131.5 secs Computing kpt #: 135 total cpu time spent up to now is 132.5 secs Computing kpt #: 136 total cpu time spent up to now is 133.6 secs Computing kpt #: 137 total cpu time spent up to now is 134.8 secs Computing kpt #: 138 total cpu time spent up to now is 135.9 secs Computing kpt #: 139 total cpu time spent up to now is 137.0 secs Computing kpt #: 140 total cpu time spent up to now is 137.9 secs Computing kpt #: 141 total cpu time spent up to now is 138.8 secs Computing kpt #: 142 total cpu time spent up to now is 139.8 secs Computing kpt #: 143 total cpu time spent up to now is 140.6 secs Computing kpt #: 144 total cpu time spent up to now is 141.5 secs Computing kpt #: 145 total cpu time spent up to now is 142.3 secs Computing kpt #: 146 total cpu time spent up to now is 143.1 secs Computing kpt #: 147 total cpu time spent up to now is 143.9 secs Computing kpt #: 148 total cpu time spent up to now is 144.7 secs Computing kpt #: 149 total cpu time spent up to now is 145.5 secs Computing kpt #: 150 total cpu time spent up to now is 146.3 secs Computing kpt #: 151 total cpu time spent up to now is 147.1 secs Computing kpt #: 152 total cpu time spent up to now is 147.9 secs Computing kpt #: 153 total cpu time spent up to now is 148.7 secs Computing kpt #: 154 total cpu time spent up to now is 149.5 secs Computing kpt #: 155 total cpu time spent up to now is 150.3 secs Computing kpt #: 156 total cpu time spent up to now is 151.1 secs Computing kpt #: 157 total cpu time spent up to now is 151.9 secs Computing kpt #: 158 total cpu time spent up to now is 152.7 secs Computing kpt #: 159 total cpu time spent up to now is 153.5 secs Computing kpt #: 160 total cpu time spent up to now is 154.3 secs Computing kpt #: 161 total cpu time spent up to now is 155.1 secs Computing kpt #: 162 total cpu time spent up to now is 155.9 secs Computing kpt #: 163 total cpu time spent up to now is 156.8 secs Computing kpt #: 164 total cpu time spent up to now is 157.7 secs Computing kpt #: 165 total cpu time spent up to now is 158.6 secs Computing kpt #: 166 total cpu time spent up to now is 159.6 secs Computing kpt #: 167 total cpu time spent up to now is 160.6 secs Computing kpt #: 168 total cpu time spent up to now is 161.5 secs Computing kpt #: 169 total cpu time spent up to now is 162.4 secs Computing kpt #: 170 total cpu time spent up to now is 163.5 secs Computing kpt #: 171 total cpu time spent up to now is 164.5 secs Computing kpt #: 172 total cpu time spent up to now is 165.5 secs Computing kpt #: 173 total cpu time spent up to now is 166.5 secs Computing kpt #: 174 total cpu time spent up to now is 167.5 secs Computing kpt #: 175 total cpu time spent up to now is 168.6 secs Computing kpt #: 176 total cpu time spent up to now is 169.6 secs Computing kpt #: 177 total cpu time spent up to now is 170.7 secs Computing kpt #: 178 total cpu time spent up to now is 171.7 secs Computing kpt #: 179 total cpu time spent up to now is 172.7 secs Computing kpt #: 180 total cpu time spent up to now is 173.8 secs Computing kpt #: 181 total cpu time spent up to now is 174.8 secs Computing kpt #: 182 total cpu time spent up to now is 175.8 secs Computing kpt #: 183 total cpu time spent up to now is 176.9 secs Computing kpt #: 184 total cpu time spent up to now is 177.9 secs Computing kpt #: 185 total cpu time spent up to now is 178.9 secs Computing kpt #: 186 total cpu time spent up to now is 179.9 secs Computing kpt #: 187 total cpu time spent up to now is 181.2 secs Computing kpt #: 188 total cpu time spent up to now is 182.0 secs Computing kpt #: 189 total cpu time spent up to now is 182.9 secs Computing kpt #: 190 total cpu time spent up to now is 183.7 secs Computing kpt #: 191 total cpu time spent up to now is 184.5 secs Computing kpt #: 192 total cpu time spent up to now is 185.3 secs Computing kpt #: 193 total cpu time spent up to now is 186.1 secs Computing kpt #: 194 total cpu time spent up to now is 186.9 secs Computing kpt #: 195 total cpu time spent up to now is 187.7 secs Computing kpt #: 196 total cpu time spent up to now is 188.6 secs Computing kpt #: 197 total cpu time spent up to now is 189.3 secs Computing kpt #: 198 total cpu time spent up to now is 190.1 secs Computing kpt #: 199 total cpu time spent up to now is 191.0 secs Computing kpt #: 200 total cpu time spent up to now is 191.8 secs Computing kpt #: 201 total cpu time spent up to now is 192.6 secs Computing kpt #: 202 total cpu time spent up to now is 193.4 secs Computing kpt #: 203 total cpu time spent up to now is 194.2 secs Computing kpt #: 204 total cpu time spent up to now is 195.0 secs Computing kpt #: 205 total cpu time spent up to now is 195.8 secs Computing kpt #: 206 total cpu time spent up to now is 196.5 secs Computing kpt #: 207 total cpu time spent up to now is 197.4 secs Computing kpt #: 208 total cpu time spent up to now is 198.2 secs Computing kpt #: 209 total cpu time spent up to now is 199.1 secs Computing kpt #: 210 total cpu time spent up to now is 200.0 secs Computing kpt #: 211 total cpu time spent up to now is 201.0 secs Computing kpt #: 212 total cpu time spent up to now is 201.9 secs Computing kpt #: 213 total cpu time spent up to now is 202.8 secs Computing kpt #: 214 total cpu time spent up to now is 203.8 secs Computing kpt #: 215 total cpu time spent up to now is 204.8 secs Computing kpt #: 216 total cpu time spent up to now is 205.7 secs Computing kpt #: 217 total cpu time spent up to now is 206.7 secs Computing kpt #: 218 total cpu time spent up to now is 207.7 secs Computing kpt #: 219 total cpu time spent up to now is 209.0 secs Computing kpt #: 220 total cpu time spent up to now is 210.0 secs Computing kpt #: 221 total cpu time spent up to now is 211.2 secs Computing kpt #: 222 total cpu time spent up to now is 212.5 secs Computing kpt #: 223 total cpu time spent up to now is 213.7 secs Computing kpt #: 224 total cpu time spent up to now is 215.0 secs Computing kpt #: 225 total cpu time spent up to now is 216.1 secs Computing kpt #: 226 total cpu time spent up to now is 217.4 secs Computing kpt #: 227 total cpu time spent up to now is 218.5 secs Computing kpt #: 228 total cpu time spent up to now is 219.6 secs Computing kpt #: 229 total cpu time spent up to now is 220.7 secs Computing kpt #: 230 total cpu time spent up to now is 221.8 secs Computing kpt #: 231 total cpu time spent up to now is 222.9 secs Computing kpt #: 232 total cpu time spent up to now is 223.9 secs Computing kpt #: 233 total cpu time spent up to now is 225.0 secs Computing kpt #: 234 total cpu time spent up to now is 226.0 secs Computing kpt #: 235 total cpu time spent up to now is 227.0 secs Computing kpt #: 236 total cpu time spent up to now is 228.1 secs Computing kpt #: 237 total cpu time spent up to now is 229.2 secs Computing kpt #: 238 total cpu time spent up to now is 230.4 secs Computing kpt #: 239 total cpu time spent up to now is 231.5 secs Computing kpt #: 240 total cpu time spent up to now is 232.6 secs Computing kpt #: 241 total cpu time spent up to now is 234.0 secs Computing kpt #: 242 total cpu time spent up to now is 235.3 secs Computing kpt #: 243 total cpu time spent up to now is 236.5 secs Computing kpt #: 244 total cpu time spent up to now is 237.6 secs Computing kpt #: 245 total cpu time spent up to now is 238.8 secs Computing kpt #: 246 total cpu time spent up to now is 239.9 secs Computing kpt #: 247 total cpu time spent up to now is 241.0 secs Computing kpt #: 248 total cpu time spent up to now is 242.0 secs Computing kpt #: 249 total cpu time spent up to now is 243.1 secs Computing kpt #: 250 total cpu time spent up to now is 244.2 secs Computing kpt #: 251 total cpu time spent up to now is 245.2 secs Computing kpt #: 252 total cpu time spent up to now is 246.2 secs Computing kpt #: 253 total cpu time spent up to now is 247.2 secs Computing kpt #: 254 total cpu time spent up to now is 248.4 secs Computing kpt #: 255 total cpu time spent up to now is 249.5 secs Computing kpt #: 256 total cpu time spent up to now is 250.7 secs Computing kpt #: 257 total cpu time spent up to now is 252.0 secs Computing kpt #: 258 total cpu time spent up to now is 253.1 secs Computing kpt #: 259 total cpu time spent up to now is 254.0 secs Computing kpt #: 260 total cpu time spent up to now is 255.0 secs ethr = 2.08E-08, avg # of iterations = 27.4 total cpu time spent up to now is 255.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5993 PWs) bands (ev): -9.8019 -9.8019 -7.6714 -7.6714 -7.6693 -7.6693 -7.3171 -7.3171 -7.3162 -7.3162 -6.4113 -6.4113 -2.9716 -2.9716 -2.9676 -2.9676 -0.6526 -0.6526 -0.4217 -0.4217 -0.2003 -0.2003 -0.1961 -0.1961 0.9485 0.9485 1.5975 1.5975 1.6084 1.6084 2.5319 2.5319 2.9528 2.9528 3.1745 3.1745 3.1799 3.1799 4.4160 4.4160 4.4558 4.4558 5.8020 5.8020 5.8053 5.8053 6.0744 6.0744 8.4798 8.4798 8.4846 8.4846 8.5280 8.5280 10.0704 10.0704 10.0722 10.0722 k = 0.0161 0.0093-0.0000 ( 5993 PWs) bands (ev): -9.8010 -9.8010 -7.6739 -7.6738 -7.6717 -7.6715 -7.3153 -7.3153 -7.3145 -7.3144 -6.4118 -6.4116 -2.9714 -2.9714 -2.9672 -2.9670 -0.6567 -0.6566 -0.4203 -0.4203 -0.1997 -0.1982 -0.1947 -0.1945 0.9473 0.9498 1.5983 1.5987 1.6099 1.6101 2.5324 2.5333 2.9467 2.9510 3.1749 3.1784 3.1827 3.1839 4.4139 4.4147 4.4541 4.4542 5.8018 5.8019 5.8051 5.8054 6.0732 6.0743 8.4748 8.4775 8.4822 8.4859 8.5279 8.5341 10.0504 10.0581 10.0659 10.0663 k = 0.0323 0.0186-0.0000 ( 5993 PWs) bands (ev): -9.7983 -9.7983 -7.6824 -7.6819 -7.6776 -7.6771 -7.3104 -7.3100 -7.3094 -7.3090 -6.4132 -6.4129 -2.9720 -2.9719 -2.9646 -2.9644 -0.6688 -0.6686 -0.4163 -0.4162 -0.1968 -0.1948 -0.1898 -0.1884 0.9462 0.9512 1.5981 1.6002 1.6167 1.6176 2.5348 2.5366 2.9341 2.9419 3.1796 3.1831 3.1919 3.1969 4.4078 4.4092 4.4497 4.4501 5.8008 5.8016 5.8047 5.8057 6.0709 6.0732 8.4622 8.4693 8.4817 8.4843 8.5344 8.5435 10.0072 10.0184 10.0500 10.0505 k = 0.0484 0.0279-0.0000 ( 5985 PWs) bands (ev): -9.7939 -9.7938 -7.6964 -7.6957 -7.6863 -7.6856 -7.3027 -7.3020 -7.3008 -7.3001 -6.4154 -6.4150 -2.9740 -2.9738 -2.9593 -2.9590 -0.6882 -0.6879 -0.4095 -0.4094 -0.1925 -0.1904 -0.1812 -0.1781 0.9454 0.9527 1.5960 1.5997 1.6302 1.6323 2.5389 2.5417 2.9169 2.9271 3.1866 3.1900 3.2075 3.2155 4.3963 4.3980 4.4442 4.4454 5.7992 5.8015 5.8038 5.8065 6.0676 6.0710 8.4455 8.4546 8.4808 8.4829 8.5448 8.5548 9.9522 9.9649 10.0255 10.0263 k = 0.0645 0.0372-0.0000 ( 5979 PWs) bands (ev): -9.7876 -9.7876 -7.7153 -7.7145 -7.6976 -7.6966 -7.2930 -7.2922 -7.2889 -7.2882 -6.4186 -6.4181 -2.9770 -2.9767 -2.9516 -2.9512 -0.7142 -0.7137 -0.4001 -0.3999 -0.1868 -0.1846 -0.1690 -0.1645 0.9448 0.9541 1.5929 1.5980 1.6498 1.6526 2.5445 2.5482 2.8971 2.9089 3.1956 3.1991 3.2276 3.2373 4.3782 4.3799 4.4390 4.4414 5.7970 5.8013 5.8026 5.8077 6.0633 6.0679 8.4249 8.4346 8.4792 8.4815 8.5577 8.5678 9.8913 9.9048 9.9951 9.9964 k = 0.0806 0.0466-0.0000 ( 5967 PWs) bands (ev): -9.7797 -9.7796 -7.7385 -7.7376 -7.7108 -7.7098 -7.2816 -7.2808 -7.2746 -7.2738 -6.4226 -6.4219 -2.9809 -2.9806 -2.9419 -2.9414 -0.7457 -0.7451 -0.3883 -0.3878 -0.1798 -0.1774 -0.1538 -0.1480 0.9445 0.9556 1.5893 1.5957 1.6745 1.6779 2.5512 2.5559 2.8762 2.8891 3.2065 3.2102 3.2504 3.2610 4.3535 4.3555 4.4345 4.4381 5.7940 5.7996 5.8027 5.8093 6.0584 6.0641 8.4003 8.4100 8.4768 8.4793 8.5726 8.5825 9.8277 9.8415 9.9611 9.9630 k = 0.0968 0.0559-0.0000 ( 5967 PWs) bands (ev): -9.7699 -9.7699 -7.7654 -7.7645 -7.7256 -7.7244 -7.2691 -7.2682 -7.2582 -7.2573 -6.4274 -6.4266 -2.9857 -2.9852 -2.9302 -2.9297 -0.7820 -0.7812 -0.3741 -0.3733 -0.1714 -0.1687 -0.1360 -0.1290 0.9444 0.9571 1.5855 1.5930 1.7034 1.7071 2.5585 2.5642 2.8555 2.8691 3.2188 3.2230 3.2745 3.2855 4.3234 4.3257 4.4302 4.4351 5.7904 5.7966 5.8038 5.8116 6.0531 6.0598 8.3716 8.3810 8.4732 8.4761 8.5895 8.5991 9.7633 9.7774 9.9256 9.9282 k = 0.1129 0.0652-0.0000 ( 5957 PWs) bands (ev): -9.7585 -9.7584 -7.7957 -7.7947 -7.7414 -7.7402 -7.2559 -7.2548 -7.2402 -7.2394 -6.4330 -6.4322 -2.9911 -2.9906 -2.9168 -2.9162 -0.8221 -0.8212 -0.3577 -0.3566 -0.1617 -0.1588 -0.1157 -0.1076 0.9447 0.9585 1.5820 1.5905 1.7357 1.7396 2.5654 2.5726 2.8360 2.8503 3.2322 3.2371 3.2989 3.3099 4.2890 4.2918 4.4257 4.4318 5.7860 5.7927 5.8057 5.8145 6.0476 6.0555 8.3389 8.3479 8.4683 8.4714 8.6083 8.6176 9.6995 9.7138 9.8899 9.8934 k = 0.1290 0.0745-0.0000 ( 5957 PWs) bands (ev): -9.7453 -9.7452 -7.8288 -7.8279 -7.7579 -7.7567 -7.2420 -7.2409 -7.2212 -7.2203 -6.4394 -6.4385 -2.9971 -2.9965 -2.9018 -2.9012 -0.8654 -0.8644 -0.3394 -0.3379 -0.1508 -0.1476 -0.0930 -0.0839 0.9452 0.9600 1.5789 1.5884 1.7704 1.7745 2.5711 2.5800 2.8190 2.8338 3.2462 3.2519 3.3228 3.3336 4.2517 4.2550 4.4207 4.4280 5.7808 5.7879 5.8082 5.8180 6.0424 6.0514 8.3026 8.3111 8.4616 8.4649 8.6290 8.6380 9.6375 9.6518 9.8549 9.8594 k = 0.1452 0.0838-0.0000 ( 5957 PWs) bands (ev): -9.7304 -9.7303 -7.8646 -7.8637 -7.7748 -7.7736 -7.2278 -7.2266 -7.2013 -7.2004 -6.4466 -6.4455 -3.0038 -3.0031 -2.8854 -2.8848 -0.9111 -0.9100 -0.3195 -0.3177 -0.1387 -0.1352 -0.0678 -0.0578 0.9459 0.9614 1.5768 1.5869 1.8067 1.8109 2.5743 2.5854 2.8055 2.8210 3.2602 3.2671 3.3452 3.3559 4.2130 4.2169 4.4150 4.4235 5.7746 5.7821 5.8114 5.8221 6.0378 6.0478 8.2633 8.2712 8.4527 8.4563 8.6514 8.6602 9.5780 9.5924 9.8209 9.8264 k = 0.1613 0.0931-0.0000 ( 5961 PWs) bands (ev): -9.7138 -9.7138 -7.9026 -7.9017 -7.7919 -7.7907 -7.2133 -7.2121 -7.1810 -7.1800 -6.4544 -6.4533 -3.0109 -3.0102 -2.8679 -2.8672 -0.9586 -0.9574 -0.2985 -0.2962 -0.1255 -0.1216 -0.0400 -0.0290 0.9468 0.9627 1.5757 1.5864 1.8435 1.8480 2.5740 2.5875 2.7966 2.8130 3.2735 3.2819 3.3654 3.3761 4.1745 4.1791 4.4083 4.4180 5.7676 5.7752 5.8152 5.8267 6.0342 6.0452 8.2218 8.2291 8.4413 8.4451 8.6754 8.6841 9.5218 9.5362 9.7881 9.7945 k = 0.1774 0.1024-0.0000 ( 5965 PWs) bands (ev): -9.6956 -9.6955 -7.9426 -7.9417 -7.8090 -7.8078 -7.1986 -7.1974 -7.1603 -7.1594 -6.4629 -6.4617 -3.0184 -3.0176 -2.8495 -2.8487 -1.0073 -1.0061 -0.2768 -0.2741 -0.1112 -0.1070 -0.0091 0.0025 0.9479 0.9641 1.5758 1.5871 1.8800 1.8848 2.5695 2.5854 2.7932 2.8104 3.2852 3.2954 3.3828 3.3941 4.1379 4.1434 4.4005 4.4113 5.7595 5.7674 5.8196 5.8318 6.0319 6.0438 8.1789 8.1855 8.4270 8.4310 8.7008 8.7093 9.4695 9.4837 9.7564 9.7636 k = 0.1935 0.1117-0.0000 ( 5956 PWs) bands (ev): -9.6757 -9.6757 -7.9843 -7.9835 -7.8258 -7.8247 -7.1839 -7.1825 -7.1396 -7.1387 -6.4721 -6.4708 -3.0262 -3.0254 -2.8302 -2.8294 -1.0568 -1.0556 -0.2549 -0.2519 -0.0958 -0.0914 0.0250 0.0372 0.9492 0.9654 1.5774 1.5891 1.9152 1.9204 2.5609 2.5788 2.7952 2.8132 3.2941 3.3063 3.3974 3.4098 4.1052 4.1115 4.3914 4.4033 5.7507 5.7585 5.8245 5.8371 6.0313 6.0438 8.1355 8.1414 8.4096 8.4138 8.7272 8.7356 9.4214 9.4353 9.7255 9.7335 k = 0.2097 0.1211-0.0000 ( 5946 PWs) bands (ev): -9.6543 -9.6542 -8.0276 -8.0269 -7.8423 -7.8412 -7.1690 -7.1676 -7.1191 -7.1181 -6.4818 -6.4805 -3.0343 -3.0335 -2.8104 -2.8096 -1.1066 -1.1053 -0.2335 -0.2301 -0.0795 -0.0748 0.0626 0.0753 0.9507 0.9667 1.5804 1.5923 1.9481 1.9539 2.5488 2.5683 2.8018 2.8203 3.2987 3.3124 3.4100 3.4237 4.0779 4.0852 4.3808 4.3938 5.7410 5.7488 5.8301 5.8428 6.0324 6.0453 8.0923 8.0976 8.3889 8.3933 8.7541 8.7625 9.3777 9.3914 9.6955 9.7040 k = 0.2258 0.1304-0.0000 ( 5942 PWs) bands (ev): -9.6313 -9.6312 -8.0723 -8.0716 -7.8584 -7.8573 -7.1541 -7.1527 -7.0987 -7.0978 -6.4921 -6.4908 -3.0425 -3.0416 -2.7902 -2.7894 -1.1562 -1.1550 -0.2129 -0.2092 -0.0622 -0.0573 0.1041 0.1169 0.9524 0.9681 1.5849 1.5969 1.9778 1.9842 2.5340 2.5547 2.8118 2.8306 3.2976 3.3117 3.4226 3.4368 4.0574 4.0656 4.3687 4.3828 5.7306 5.7385 5.8364 5.8489 6.0352 6.0484 8.0500 8.0546 8.3647 8.3695 8.7810 8.7894 9.3387 9.3519 9.6662 9.6752 k = 0.2419 0.1397-0.0000 ( 5932 PWs) bands (ev): -9.6068 -9.6067 -8.1181 -8.1174 -7.8739 -7.8729 -7.1392 -7.1378 -7.0788 -7.0779 -6.5029 -6.5015 -3.0507 -3.0499 -2.7699 -2.7690 -1.2054 -1.2042 -0.1935 -0.1897 -0.0441 -0.0391 0.1493 0.1623 0.9545 0.9696 1.5905 1.6027 2.0034 2.0106 2.5174 2.5390 2.8240 2.8428 3.2895 3.3026 3.4370 3.4505 4.0442 4.0532 4.3551 4.3700 5.7199 5.7276 5.8435 5.8556 6.0397 6.0528 8.0091 8.0130 8.3372 8.3424 8.8072 8.8156 9.3044 9.3170 9.6379 9.6472 k = 0.2581 0.1490-0.0000 ( 5934 PWs) bands (ev): -9.5809 -9.5808 -8.1648 -8.1642 -7.8887 -7.8878 -7.1242 -7.1228 -7.0594 -7.0586 -6.5141 -6.5127 -3.0589 -3.0581 -2.7495 -2.7487 -1.2536 -1.2525 -0.1757 -0.1717 -0.0253 -0.0202 0.1985 0.2114 0.9569 0.9715 1.5973 1.6094 2.0242 2.0322 2.4994 2.5217 2.8372 2.8561 3.2745 3.2856 3.4538 3.4657 4.0381 4.0477 4.3398 4.3556 5.7089 5.7164 5.8516 5.8631 6.0456 6.0583 7.9700 7.9733 8.3064 8.3122 8.8319 8.8402 9.2747 9.2867 9.6108 9.6201 k = 0.2742 0.1583-0.0000 ( 5930 PWs) bands (ev): -9.5536 -9.5535 -8.2122 -8.2116 -7.9029 -7.9020 -7.1093 -7.1079 -7.0407 -7.0399 -6.5257 -6.5243 -3.0670 -3.0662 -2.7293 -2.7285 -1.3007 -1.2996 -0.1596 -0.1556 -0.0059 -0.0008 0.2512 0.2640 0.9598 0.9737 1.6047 1.6168 2.0395 2.0484 2.4801 2.5030 2.8509 2.8696 3.2539 3.2626 3.4732 3.4831 4.0383 4.0482 4.3229 4.3394 5.6979 5.7052 5.8608 5.8716 6.0525 6.0648 7.9331 7.9358 8.2728 8.2791 8.8540 8.8622 9.2500 9.2613 9.5850 9.5943 k = 0.2903 0.1676-0.0000 ( 5932 PWs) bands (ev): -9.5250 -9.5249 -8.2601 -8.2596 -7.9163 -7.9155 -7.0945 -7.0931 -7.0228 -7.0220 -6.5375 -6.5361 -3.0750 -3.0741 -2.7094 -2.7086 -1.3462 -1.3452 -0.1452 -0.1412 0.0140 0.0190 0.3074 0.3199 0.9633 0.9763 1.6126 1.6246 2.0490 2.0587 2.4595 2.4828 2.8645 2.8828 3.2297 3.2359 3.4948 3.5027 4.0434 4.0533 4.3046 4.3216 5.6871 5.6942 5.8714 5.8813 6.0603 6.0720 7.8985 7.9008 8.2365 8.2433 8.8725 8.8804 9.2307 9.2412 9.5609 9.5701 k = 0.3065 0.1769-0.0000 ( 5936 PWs) bands (ev): -9.4953 -9.4952 -8.3083 -8.3078 -7.9290 -7.9282 -7.0799 -7.0785 -7.0057 -7.0050 -6.5496 -6.5482 -3.0826 -3.0818 -2.6900 -2.6892 -1.3899 -1.3889 -0.1325 -0.1286 0.0340 0.0389 0.3664 0.3787 0.9675 0.9796 1.6203 1.6323 2.0525 2.0630 2.4373 2.4609 2.8777 2.8955 3.2041 3.2080 3.5182 3.5243 4.0519 4.0616 4.2850 4.3023 5.6767 5.6834 5.8834 5.8923 6.0686 6.0795 7.8663 7.8683 8.1980 8.2053 8.8863 8.8936 9.2173 9.2268 9.5387 9.5476 k = 0.3226 0.1862-0.0000 ( 5926 PWs) bands (ev): -9.4644 -9.4643 -8.3565 -8.3560 -7.9407 -7.9400 -7.0654 -7.0640 -6.9896 -6.9890 -6.5618 -6.5605 -3.0900 -3.0892 -2.6712 -2.6704 -1.4315 -1.4306 -0.1215 -0.1178 0.0541 0.0588 0.4280 0.4399 0.9723 0.9836 1.6276 1.6395 2.0502 2.0614 2.4133 2.4370 2.8904 2.9073 3.1790 3.1808 3.5434 3.5480 4.0625 4.0718 4.2646 4.2819 5.6668 5.6732 5.8968 5.9048 6.0771 6.0871 7.8366 7.8386 8.1576 8.1653 8.8945 8.9010 9.2102 9.2187 9.5185 9.5270 k = 0.3387 0.1956-0.0000 ( 5942 PWs) bands (ev): -9.4327 -9.4326 -8.4044 -8.4040 -7.9516 -7.9509 -7.0512 -7.0498 -6.9746 -6.9740 -6.5740 -6.5727 -3.0969 -3.0961 -2.6532 -2.6525 -1.4708 -1.4699 -0.1121 -0.1086 0.0738 0.0783 0.4915 0.5030 0.9779 0.9883 1.6339 1.6458 2.0425 2.0541 2.3874 2.4110 2.9025 2.9183 3.1555 3.1559 3.5699 3.5733 4.0736 4.0824 4.2438 4.2608 5.6576 5.6635 5.9115 5.9185 6.0856 6.0946 7.8097 7.8118 8.1158 8.1237 8.8972 8.9027 9.2093 9.2166 9.5001 9.5083 k = 0.3548 0.2049-0.0000 ( 5946 PWs) bands (ev): -9.4002 -9.4001 -8.4519 -8.4515 -7.9615 -7.9609 -7.0374 -7.0361 -6.9607 -6.9602 -6.5861 -6.5848 -3.1034 -3.1027 -2.6362 -2.6355 -1.5074 -1.5066 -0.1041 -0.1008 0.0930 0.0972 0.5561 0.5672 0.9842 0.9936 1.6388 1.6508 2.0299 2.0417 2.3601 2.3831 2.9139 2.9283 3.1334 3.1354 3.5972 3.6002 4.0838 4.0921 4.2236 4.2399 5.6491 5.6546 5.9273 5.9334 6.0937 6.1018 7.7856 7.7880 8.0732 8.0811 8.8952 8.8997 9.2136 9.2197 9.4836 9.4913 k = 0.3710 0.2142-0.0000 ( 5946 PWs) bands (ev): -9.3673 -9.3672 -8.4984 -8.4981 -7.9704 -7.9699 -7.0241 -7.0228 -6.9481 -6.9476 -6.5979 -6.5966 -3.1093 -3.1087 -2.6202 -2.6196 -1.5411 -1.5404 -0.0973 -0.0944 0.1113 0.1152 0.6212 0.6318 0.9911 0.9997 1.6420 1.6540 2.0129 2.0247 2.3321 2.3541 2.9246 2.9373 3.1147 3.1183 3.6251 3.6282 4.0910 4.0992 4.2056 4.2204 5.6414 5.6464 5.9437 5.9490 6.1015 6.1085 7.7647 7.7673 8.0302 8.0381 8.8899 8.8935 9.2216 9.2267 9.4687 9.4759 k = 0.3871 0.2235-0.0000 ( 5946 PWs) bands (ev): -9.3343 -9.3342 -8.5437 -8.5434 -7.9784 -7.9779 -7.0115 -7.0103 -6.9368 -6.9364 -6.6092 -6.6080 -3.1147 -3.1141 -2.6056 -2.6050 -1.5717 -1.5711 -0.0918 -0.0891 0.1284 0.1320 0.6858 0.6958 0.9985 1.0062 1.6432 1.6553 1.9921 2.0037 2.3046 2.3249 2.9346 2.9455 3.0996 3.1044 3.6532 3.6568 4.0928 4.1017 4.1920 4.2045 5.6346 5.6390 5.9605 5.9649 6.1086 6.1146 7.7470 7.7499 7.9876 7.9953 8.8829 8.8858 9.2317 9.2360 9.4553 9.4618 k = 0.4032 0.2328-0.0000 ( 5950 PWs) bands (ev): -9.3017 -9.3016 -8.5871 -8.5868 -7.9853 -7.9849 -6.9997 -6.9986 -6.9268 -6.9265 -6.6198 -6.6187 -3.1194 -3.1189 -2.5923 -2.5919 -1.5988 -1.5983 -0.0872 -0.0849 0.1440 0.1472 0.7486 0.7579 1.0061 1.0129 1.6424 1.6544 1.9685 1.9796 2.2787 2.2969 2.9438 2.9527 3.0876 3.0933 3.6810 3.6853 4.0870 4.0976 4.1845 4.1945 5.6287 5.6326 5.9771 5.9806 6.1151 6.1200 7.7329 7.7360 7.9463 7.9535 8.8755 8.8778 9.2426 9.2462 9.4433 9.4491 k = 0.4194 0.2421-0.0000 ( 5952 PWs) bands (ev): -9.2701 -9.2700 -8.6278 -8.6276 -7.9912 -7.9909 -6.9890 -6.9880 -6.9184 -6.9181 -6.6294 -6.6285 -3.1235 -3.1231 -2.5807 -2.5803 -1.6223 -1.6219 -0.0835 -0.0816 0.1578 0.1606 0.8082 0.8166 1.0136 1.0196 1.6397 1.6514 1.9432 1.9536 2.2558 2.2714 2.9521 2.9591 3.0785 3.0846 3.7081 3.7128 4.0747 4.0864 4.1829 4.1906 5.6237 5.6270 5.9927 5.9955 6.1207 6.1246 7.7226 7.7257 7.9071 7.9139 8.8686 8.8704 9.2532 9.2561 9.4327 9.4378 k = 0.4355 0.2514-0.0000 ( 5946 PWs) bands (ev): -9.2405 -9.2404 -8.6650 -8.6648 -7.9961 -7.9958 -6.9797 -6.9788 -6.9114 -6.9112 -6.6379 -6.6371 -3.1269 -3.1265 -2.5710 -2.5706 -1.6419 -1.6416 -0.0806 -0.0791 0.1696 0.1719 0.8627 0.8702 1.0207 1.0257 1.6357 1.6466 1.9178 1.9273 2.2368 2.2493 2.9595 2.9647 3.0717 3.0777 3.7335 3.7385 4.0590 4.0706 4.1847 4.1907 5.6197 5.6223 6.0068 6.0089 6.1253 6.1283 7.7161 7.7193 7.8710 7.8772 8.8627 8.8641 9.2628 9.2651 9.4237 9.4279 k = 0.4516 0.2607-0.0000 ( 5958 PWs) bands (ev): -9.2143 -9.2142 -8.6971 -8.6970 -7.9999 -7.9997 -6.9720 -6.9713 -6.9059 -6.9058 -6.6448 -6.6442 -3.1296 -3.1293 -2.5631 -2.5629 -1.6574 -1.6572 -0.0785 -0.0773 0.1791 0.1809 0.9100 0.9162 1.0267 1.0309 1.6311 1.6406 1.8946 1.9028 2.2221 2.2315 2.9658 2.9694 3.0670 3.0723 3.7564 3.7612 4.0432 4.0534 4.1879 4.1923 5.6167 5.6187 6.0186 6.0201 6.1291 6.1312 7.7135 7.7167 7.8394 7.8448 8.8581 8.8592 9.2707 9.2725 9.4164 9.4197 k = 0.4677 0.2701-0.0000 ( 5948 PWs) bands (ev): -9.1932 -9.1932 -8.7224 -8.7223 -8.0025 -8.0024 -6.9662 -6.9657 -6.9020 -6.9019 -6.6500 -6.6496 -3.1314 -3.1313 -2.5574 -2.5572 -1.6686 -1.6684 -0.0769 -0.0761 0.1862 0.1874 0.9474 0.9521 1.0313 1.0345 1.6271 1.6342 1.8763 1.8824 2.2120 2.2183 2.9707 2.9730 3.0641 3.0681 3.7753 3.7793 4.0299 4.0376 4.1910 4.1939 5.6146 5.6159 6.0276 6.0286 6.1318 6.1331 7.7144 7.7172 7.8136 7.8179 8.8549 8.8557 9.2768 9.2780 9.4111 9.4134 k = 0.4839 0.2794-0.0000 ( 5956 PWs) bands (ev): -9.1794 -9.1793 -8.7389 -8.7388 -8.0041 -8.0041 -6.9625 -6.9623 -6.8996 -6.8996 -6.6532 -6.6530 -3.1326 -3.1325 -2.5539 -2.5538 -1.6754 -1.6753 -0.0759 -0.0755 0.1906 0.1912 0.9722 0.9748 1.0344 1.0362 1.6248 1.6287 1.8650 1.8683 2.2066 2.2097 2.9740 2.9751 3.0628 3.0650 3.7885 3.7908 4.0215 4.0257 4.1933 4.1948 5.6135 5.6141 6.0333 6.0338 6.1336 6.1342 7.7175 7.7194 7.7961 7.7987 8.8531 8.8535 9.2806 9.2813 9.4081 9.4093 k = 0.5000 0.2887-0.0000 ( 5944 PWs) bands (ev): -9.1745 -9.1745 -8.7446 -8.7446 -8.0047 -8.0047 -6.9612 -6.9612 -6.8988 -6.8988 -6.6542 -6.6542 -3.1329 -3.1329 -2.5527 -2.5527 -1.6776 -1.6776 -0.0754 -0.0754 0.1922 0.1922 0.9818 0.9818 1.0360 1.0360 1.6253 1.6253 1.8622 1.8622 2.2058 2.2058 2.9755 2.9755 3.0632 3.0632 3.7940 3.7940 4.0199 4.0199 4.1946 4.1946 5.6133 5.6133 6.0354 6.0354 6.1344 6.1344 7.7200 7.7200 7.7906 7.7906 8.8526 8.8526 9.2822 9.2822 9.4075 9.4075 k = 0.5000 0.2887-0.0000 ( 5944 PWs) bands (ev): -9.1745 -9.1745 -8.7446 -8.7446 -8.0047 -8.0047 -6.9612 -6.9612 -6.8988 -6.8988 -6.6542 -6.6542 -3.1329 -3.1329 -2.5527 -2.5527 -1.6776 -1.6776 -0.0754 -0.0754 0.1922 0.1922 0.9818 0.9818 1.0360 1.0360 1.6253 1.6253 1.8622 1.8622 2.2058 2.2058 2.9755 2.9755 3.0632 3.0632 3.7940 3.7940 4.0199 4.0199 4.1946 4.1946 5.6133 5.6133 6.0354 6.0354 6.1344 6.1344 7.7200 7.7200 7.7906 7.7906 8.8526 8.8526 9.2822 9.2822 9.4075 9.4075 k = 0.4907 0.3047-0.0000 ( 5952 PWs) bands (ev): -9.1736 -9.1736 -8.7446 -8.7446 -8.0068 -8.0068 -6.9600 -6.9600 -6.8985 -6.8984 -6.6545 -6.6545 -3.1335 -3.1334 -2.5514 -2.5513 -1.6804 -1.6803 -0.0737 -0.0735 0.1950 0.1956 0.9806 0.9815 1.0346 1.0354 1.6245 1.6258 1.8605 1.8624 2.2069 2.2075 2.9734 2.9734 3.0621 3.0629 3.7951 3.7956 4.0187 4.0196 4.1946 4.1947 5.6146 5.6160 6.0350 6.0353 6.1340 6.1348 7.7211 7.7212 7.7906 7.7911 8.8527 8.8535 9.2803 9.2809 9.4041 9.4045 k = 0.4815 0.3208-0.0000 ( 5944 PWs) bands (ev): -9.1709 -9.1709 -8.7446 -8.7446 -8.0131 -8.0131 -6.9566 -6.9566 -6.8975 -6.8974 -6.6555 -6.6555 -3.1350 -3.1348 -2.5474 -2.5472 -1.6885 -1.6884 -0.0684 -0.0681 0.2038 0.2050 0.9781 0.9799 1.0314 1.0330 1.6235 1.6261 1.8574 1.8610 2.2108 2.2120 2.9670 2.9671 3.0597 3.0612 3.7989 3.7998 4.0160 4.0177 4.1945 4.1946 5.6198 5.6225 6.0341 6.0347 6.1337 6.1353 7.7243 7.7245 7.7912 7.7922 8.8538 8.8552 9.2753 9.2766 9.3945 9.3954 k = 0.4722 0.3368-0.0000 ( 5950 PWs) bands (ev): -9.1665 -9.1665 -8.7446 -8.7446 -8.0235 -8.0235 -6.9509 -6.9509 -6.8958 -6.8956 -6.6572 -6.6571 -3.1374 -3.1371 -2.5407 -2.5404 -1.7017 -1.7016 -0.0596 -0.0591 0.2182 0.2199 0.9744 0.9770 1.0263 1.0287 1.6225 1.6264 1.8528 1.8582 2.2172 2.2190 2.9565 2.9566 3.0559 3.0581 3.8052 3.8066 4.0120 4.0145 4.1943 4.1945 5.6289 5.6327 6.0327 6.0336 6.1334 6.1358 7.7294 7.7297 7.7923 7.7938 8.8557 8.8578 9.2675 9.2693 9.3791 9.3804 k = 0.4630 0.3528-0.0000 ( 5948 PWs) bands (ev): -9.1604 -9.1603 -8.7448 -8.7448 -8.0374 -8.0374 -6.9435 -6.9435 -6.8935 -6.8933 -6.6594 -6.6593 -3.1407 -3.1403 -2.5314 -2.5311 -1.7197 -1.7195 -0.0473 -0.0466 0.2374 0.2397 0.9698 0.9732 1.0192 1.0223 1.6219 1.6269 1.8468 1.8538 2.2261 2.2284 2.9420 2.9421 3.0509 3.0537 3.8140 3.8160 4.0068 4.0099 4.1939 4.1941 5.6415 5.6466 6.0309 6.0321 6.1331 6.1363 7.7361 7.7365 7.7938 7.7959 8.8582 8.8610 9.2570 9.2595 9.3586 9.3602 k = 0.4537 0.3689-0.0000 ( 5952 PWs) bands (ev): -9.1525 -9.1524 -8.7453 -8.7452 -8.0545 -8.0545 -6.9345 -6.9345 -6.8905 -6.8902 -6.6623 -6.6622 -3.1446 -3.1442 -2.5197 -2.5192 -1.7419 -1.7417 -0.0316 -0.0306 0.2605 0.2635 0.9648 0.9688 1.0101 1.0139 1.6218 1.6279 1.8393 1.8479 2.2372 2.2399 2.9236 2.9238 3.0447 3.0480 3.8253 3.8278 4.0007 4.0044 4.1931 4.1933 5.6576 5.6638 6.0287 6.0302 6.1326 6.1367 7.7441 7.7445 7.7957 7.7982 8.8611 8.8646 9.2443 9.2474 9.3339 9.3356 k = 0.4444 0.3849-0.0000 ( 5958 PWs) bands (ev): -9.1428 -9.1428 -8.7461 -8.7461 -8.0742 -8.0742 -6.9243 -6.9243 -6.8869 -6.8866 -6.6658 -6.6656 -3.1491 -3.1486 -2.5056 -2.5051 -1.7679 -1.7677 -0.0126 -0.0114 0.2863 0.2899 0.9600 0.9646 0.9989 1.0034 1.6226 1.6298 1.8304 1.8405 2.2503 2.2533 2.9016 2.9019 3.0373 3.0412 3.8388 3.8419 3.9940 3.9982 4.1917 4.1919 5.6768 5.6839 6.0263 6.0280 6.1318 6.1367 7.7526 7.7530 7.7979 7.8008 8.8642 8.8683 9.2299 9.2335 9.3061 9.3079 k = 0.4352 0.4009-0.0000 ( 5950 PWs) bands (ev): -9.1314 -9.1314 -8.7477 -8.7476 -8.0958 -8.0958 -6.9133 -6.9133 -6.8826 -6.8823 -6.6699 -6.6697 -3.1539 -3.1534 -2.4892 -2.4887 -1.7969 -1.7967 0.0095 0.0110 0.3134 0.3177 0.9562 0.9610 0.9859 0.9910 1.6244 1.6326 1.8202 1.8315 2.2652 2.2684 2.8763 2.8767 3.0289 3.0332 3.8544 3.8581 3.9869 3.9916 4.1894 4.1896 5.6987 5.7068 6.0236 6.0256 6.1307 6.1364 7.7613 7.7617 7.8001 7.8035 8.8671 8.8717 9.2143 9.2184 9.2766 9.2784 k = 0.4259 0.4170-0.0000 ( 5942 PWs) bands (ev): -9.1184 -9.1183 -8.7501 -8.7500 -8.1188 -8.1187 -6.9019 -6.9019 -6.8779 -6.8775 -6.6746 -6.6743 -3.1590 -3.1585 -2.4707 -2.4702 -1.8285 -1.8284 0.0346 0.0363 0.3402 0.3451 0.9541 0.9591 0.9711 0.9768 1.6273 1.6363 1.8086 1.8210 2.2819 2.2851 2.8479 2.8485 3.0197 3.0243 3.8719 3.8762 3.9799 3.9848 4.1862 4.1863 5.7230 5.7318 6.0207 6.0230 6.1290 6.1356 7.7695 7.7698 7.8024 7.8061 8.8694 8.8744 9.1982 9.2027 9.2468 9.2486 k = 0.4167 0.4330-0.0000 ( 5942 PWs) bands (ev): -9.1036 -9.1035 -8.7538 -8.7536 -8.1423 -8.1422 -6.8905 -6.8905 -6.8726 -6.8721 -6.6798 -6.6795 -3.1641 -3.1636 -2.4502 -2.4496 -1.8622 -1.8621 0.0624 0.0644 0.3649 0.3706 0.9531 0.9565 0.9580 0.9626 1.6312 1.6409 1.7958 1.8091 2.3001 2.3033 2.8170 2.8178 3.0099 3.0145 3.8908 3.8958 3.9733 3.9783 4.1818 4.1818 5.7492 5.7586 6.0179 6.0204 6.1265 6.1340 7.7768 7.7770 7.8044 7.8084 8.8708 8.8762 9.1821 9.1870 9.2182 9.2199 k = 0.4074 0.4491-0.0000 ( 5950 PWs) bands (ev): -9.0871 -9.0870 -8.7590 -8.7589 -8.1656 -8.1655 -6.8794 -6.8793 -6.8669 -6.8664 -6.6854 -6.6851 -3.1691 -3.1686 -2.4278 -2.4272 -1.8974 -1.8973 0.0926 0.0950 0.3858 0.3924 0.9371 0.9431 0.9595 0.9646 1.6359 1.6463 1.7819 1.7959 2.3200 2.3230 2.7838 2.7850 2.9996 3.0043 3.9108 3.9166 3.9674 3.9724 4.1759 4.1760 5.7767 5.7865 6.0151 6.0180 6.1232 6.1316 7.7826 7.7827 7.8061 7.8104 8.8710 8.8765 9.1668 9.1719 9.1920 9.1937 k = 0.3981 0.4651-0.0000 ( 5948 PWs) bands (ev): -9.0690 -9.0689 -8.7663 -8.7661 -8.1880 -8.1879 -6.8689 -6.8688 -6.8608 -6.8602 -6.6915 -6.6911 -3.1739 -3.1735 -2.4036 -2.4031 -1.9336 -1.9336 0.1248 0.1276 0.4016 0.4089 0.9191 0.9252 0.9680 0.9728 1.6411 1.6520 1.7672 1.7817 2.3414 2.3441 2.7490 2.7505 2.9892 2.9937 3.9310 3.9378 3.9629 3.9676 4.1684 4.1686 5.8049 5.8149 6.0125 6.0159 6.1188 6.1281 7.7868 7.7869 7.8072 7.8117 8.8700 8.8754 9.1529 9.1579 9.1691 9.1708 k = 0.3889 0.4811-0.0000 ( 5936 PWs) bands (ev): -9.0493 -9.0491 -8.7759 -8.7758 -8.2087 -8.2087 -6.8592 -6.8591 -6.8544 -6.8538 -6.6978 -6.6974 -3.1783 -3.1779 -2.3777 -2.3772 -1.9706 -1.9706 0.1586 0.1619 0.4111 0.4192 0.9010 0.9070 0.9808 0.9852 1.6466 1.6578 1.7519 1.7667 2.3644 2.3666 2.7132 2.7151 2.9788 2.9831 3.9477 3.9554 3.9635 3.9677 4.1593 4.1597 5.8331 5.8429 6.0105 6.0145 6.1132 6.1234 7.7893 7.7896 7.8077 7.8124 8.8677 8.8728 9.1408 9.1454 9.1502 9.1520 k = 0.3796 0.4972-0.0000 ( 5936 PWs) bands (ev): -9.0279 -9.0278 -8.7884 -8.7882 -8.2271 -8.2271 -6.8506 -6.8505 -6.8479 -6.8473 -6.7042 -6.7039 -3.1823 -3.1819 -2.3502 -2.3497 -2.0079 -2.0079 0.1933 0.1973 0.4140 0.4229 0.8834 0.8891 0.9973 1.0011 1.6521 1.6636 1.7364 1.7513 2.3887 2.3902 2.6769 2.6792 2.9690 2.9728 3.9507 3.9569 3.9789 3.9850 4.1484 4.1492 5.8603 5.8695 6.0093 6.0143 6.1063 6.1174 7.7903 7.7910 7.8074 7.8122 8.8643 8.8689 9.1308 9.1344 9.1355 9.1378 k = 0.3704 0.5132-0.0000 ( 5942 PWs) bands (ev): -9.0050 -9.0049 -8.8039 -8.8038 -8.2427 -8.2426 -6.8433 -6.8432 -6.8416 -6.8410 -6.7106 -6.7102 -3.1856 -3.1853 -2.3212 -2.3208 -2.0453 -2.0452 0.2282 0.2330 0.4106 0.4200 0.8671 0.8723 1.0158 1.0190 1.6574 1.6689 1.7214 1.7362 2.4143 2.4149 2.6410 2.6436 2.9599 2.9632 3.9499 3.9552 3.9990 4.0062 4.1359 4.1372 5.8852 5.8932 6.0098 6.0161 6.0978 6.1098 7.7903 7.7913 7.8062 7.8111 8.8604 8.8642 9.1228 9.1249 9.1250 9.1280 k = 0.3611 0.5292-0.0000 ( 5936 PWs) bands (ev): -8.9805 -8.9804 -8.8227 -8.8226 -8.2549 -8.2549 -6.8373 -6.8371 -6.8358 -6.8352 -6.7165 -6.7162 -3.1883 -3.1881 -2.2907 -2.2903 -2.0825 -2.0824 0.2623 0.2680 0.4014 0.4113 0.8529 0.8572 1.0343 1.0369 1.6624 1.6738 1.7074 1.7221 2.4403 2.4407 2.6063 2.6091 2.9521 2.9547 3.9495 3.9541 4.0191 4.0269 4.1218 4.1237 5.9062 5.9122 6.0130 6.0213 6.0877 6.1007 7.7900 7.7914 7.8042 7.8091 8.8565 8.8593 9.1169 9.1179 9.1183 9.1211 k = 0.3519 0.5453-0.0000 ( 5928 PWs) bands (ev): -8.9546 -8.9544 -8.8449 -8.8447 -8.2636 -8.2636 -6.8327 -6.8325 -6.8311 -6.8305 -6.7215 -6.7212 -3.1903 -3.1901 -2.2589 -2.2585 -2.1193 -2.1191 0.2945 0.3013 0.3874 0.3978 0.8418 0.8450 1.0506 1.0523 1.6671 1.6781 1.6953 1.7099 2.4659 2.4675 2.5736 2.5765 2.9460 2.9479 3.9502 3.9538 4.0379 4.0464 4.1065 4.1093 5.9214 5.9250 6.0200 6.0305 6.0761 6.0901 7.7899 7.7917 7.8014 7.8063 8.8532 8.8551 9.1130 9.1137 9.1142 9.1162 k = 0.3426 0.5613-0.0000 ( 5936 PWs) bands (ev): -8.9272 -8.9270 -8.8702 -8.8700 -8.2687 -8.2687 -6.8296 -6.8295 -6.8281 -6.8275 -6.7249 -6.7247 -3.1915 -3.1914 -2.2256 -2.2253 -2.1555 -2.1553 0.3233 0.3313 0.3695 0.3804 0.8348 0.8366 1.0620 1.0629 1.6715 1.6813 1.6861 1.7011 2.4905 2.4939 2.5442 2.5468 2.9422 2.9432 3.9516 3.9538 4.0548 4.0643 4.0907 4.0945 5.9300 5.9314 6.0311 6.0430 6.0630 6.0784 7.7909 7.7929 7.7979 7.8031 8.8510 8.8520 9.1108 9.1117 9.1123 9.1133 k = 0.3333 0.5774-0.0000 ( 5934 PWs) bands (ev): -8.8985 -8.8982 -8.8982 -8.8981 -8.2704 -8.2704 -6.8284 -6.8284 -6.8271 -6.8265 -6.7261 -6.7261 -3.1919 -3.1919 -2.1918 -2.1918 -2.1904 -2.1898 0.3443 0.3516 0.3516 0.3650 0.8330 0.8330 1.0665 1.0665 1.6739 1.6822 1.6822 1.6978 2.5078 2.5150 2.5250 2.5250 2.9411 2.9411 3.9532 3.9532 4.0653 4.0795 4.0795 4.0810 5.9328 5.9328 6.0410 6.0524 6.0524 6.0703 7.7932 7.7944 7.7944 7.8009 8.8505 8.8505 9.1101 9.1115 9.1115 9.1124 k = 0.3333 0.5774-0.0000 ( 5934 PWs) bands (ev): -8.8985 -8.8982 -8.8982 -8.8981 -8.2704 -8.2704 -6.8284 -6.8284 -6.8271 -6.8265 -6.7261 -6.7261 -3.1919 -3.1919 -2.1918 -2.1918 -2.1904 -2.1898 0.3443 0.3516 0.3516 0.3650 0.8330 0.8330 1.0665 1.0665 1.6739 1.6822 1.6822 1.6978 2.5078 2.5150 2.5250 2.5250 2.9411 2.9411 3.9532 3.9532 4.0653 4.0795 4.0795 4.0810 5.9328 5.9328 6.0410 6.0524 6.0524 6.0703 7.7932 7.7944 7.7944 7.8009 8.8505 8.8505 9.1101 9.1115 9.1115 9.1124 k = 0.3241 0.5613-0.0000 ( 5932 PWs) bands (ev): -8.9290 -8.9289 -8.8682 -8.8680 -8.2688 -8.2688 -6.8300 -6.8299 -6.8278 -6.8272 -6.7248 -6.7246 -3.1915 -3.1914 -2.2259 -2.2256 -2.1553 -2.1550 0.3241 0.3340 0.3667 0.3794 0.8349 0.8369 1.0616 1.0625 1.6726 1.6813 1.6860 1.7004 2.4932 2.4974 2.5404 2.5445 2.9423 2.9433 3.9506 3.9536 4.0559 4.0684 4.0873 4.0939 5.9307 5.9317 6.0291 6.0431 6.0628 6.0794 7.7894 7.7923 7.7991 7.8045 8.8511 8.8520 9.1106 9.1117 9.1125 9.1130 k = 0.3148 0.5453-0.0000 ( 5934 PWs) bands (ev): -8.9619 -8.9618 -8.8366 -8.8365 -8.2643 -8.2643 -6.8348 -6.8347 -6.8297 -6.8292 -6.7208 -6.7205 -3.1903 -3.1901 -2.2598 -2.2594 -2.1183 -2.1180 0.2989 0.3090 0.3784 0.3926 0.8426 0.8466 1.0476 1.0493 1.6718 1.6810 1.6932 1.7064 2.4774 2.4806 2.5598 2.5657 2.9472 2.9491 3.9441 3.9504 4.0454 4.0608 4.0979 4.1051 5.9262 5.9277 6.0115 6.0267 6.0767 6.0929 7.7851 7.7883 7.8074 7.8130 8.8538 8.8554 9.1117 9.1126 9.1152 9.1153 k = 0.3056 0.5292-0.0000 ( 5944 PWs) bands (ev): -8.9965 -8.9964 -8.8038 -8.8036 -8.2571 -8.2570 -6.8423 -6.8421 -6.8331 -6.8326 -6.7145 -6.7140 -3.1882 -3.1879 -2.2928 -2.2924 -2.0800 -2.0798 0.2722 0.2824 0.3837 0.3993 0.8555 0.8614 1.0244 1.0268 1.6722 1.6818 1.7028 1.7150 2.4671 2.4693 2.5768 2.5840 2.9558 2.9585 3.9323 3.9411 4.0411 4.0591 4.1065 4.1138 5.9199 5.9219 5.9924 6.0082 6.0892 6.1052 7.7809 7.7841 7.8191 7.8253 8.8585 8.8606 9.1126 9.1134 9.1199 9.1203 k = 0.2963 0.5132-0.0000 ( 5948 PWs) bands (ev): -9.0325 -9.0323 -8.7698 -8.7696 -8.2476 -8.2475 -6.8519 -6.8515 -6.8381 -6.8376 -6.7063 -6.7056 -3.1853 -3.1850 -2.3249 -2.3244 -2.0406 -2.0404 0.2446 0.2548 0.3829 0.3997 0.8723 0.8800 0.9930 0.9957 1.6728 1.6830 1.7153 1.7267 2.4627 2.4637 2.5908 2.5991 2.9679 2.9713 3.9151 3.9251 4.0440 4.0633 4.1129 4.1199 5.9122 5.9146 5.9723 5.9886 6.0993 6.1151 7.7772 7.7803 7.8343 7.8413 8.8648 8.8672 9.1133 9.1140 9.1274 9.1281 k = 0.2870 0.4972-0.0000 ( 5948 PWs) bands (ev): -9.0693 -9.0692 -8.7346 -8.7344 -8.2360 -8.2359 -6.8630 -6.8625 -6.8446 -6.8441 -6.6967 -6.6959 -3.1816 -3.1812 -2.3561 -2.3555 -2.0001 -1.9999 0.2164 0.2265 0.3771 0.3948 0.8911 0.9005 0.9542 0.9572 1.6726 1.6835 1.7312 1.7418 2.4638 2.4641 2.6019 2.6111 2.9832 2.9868 3.8939 3.9039 4.0528 4.0724 4.1168 4.1235 5.9034 5.9061 5.9516 5.9683 6.1069 6.1225 7.7743 7.7773 7.8532 7.8610 8.8722 8.8749 9.1140 9.1144 9.1381 9.1390 k = 0.2778 0.4811-0.0000 ( 5956 PWs) bands (ev): -9.1068 -9.1067 -8.6983 -8.6981 -8.2226 -8.2225 -6.8753 -6.8748 -6.8526 -6.8520 -6.6861 -6.6852 -3.1772 -3.1767 -2.3864 -2.3858 -1.9583 -1.9581 0.1879 0.1978 0.3673 0.3856 0.9068 0.9118 0.9129 0.9217 1.6708 1.6826 1.7510 1.7609 2.4692 2.4708 2.6107 2.6204 3.0006 3.0043 3.8698 3.8795 4.0656 4.0851 4.1186 4.1247 5.8936 5.8966 5.9308 5.9476 6.1119 6.1273 7.7723 7.7752 7.8756 7.8841 8.8801 8.8829 9.1146 9.1150 9.1524 9.1535 k = 0.2685 0.4651-0.0000 ( 5950 PWs) bands (ev): -9.1446 -9.1445 -8.6610 -8.6608 -8.2077 -8.2075 -6.8886 -6.8880 -6.8620 -6.8614 -6.6747 -6.6737 -3.1720 -3.1715 -2.4158 -2.4151 -1.9155 -1.9153 0.1593 0.1690 0.3543 0.3730 0.8588 0.8620 0.9289 0.9407 1.6671 1.6797 1.7748 1.7841 2.4790 2.4821 2.6177 2.6277 3.0193 3.0229 3.8439 3.8531 4.0814 4.1002 4.1182 4.1242 5.8830 5.8863 5.9102 5.9271 6.1144 6.1295 7.7715 7.7743 7.9013 7.9105 8.8878 8.8907 9.1154 9.1157 9.1708 9.1720 k = 0.2593 0.4491-0.0000 ( 5948 PWs) bands (ev): -9.1824 -9.1823 -8.6227 -8.6226 -8.1913 -8.1911 -6.9027 -6.9020 -6.8728 -6.8721 -6.6628 -6.6617 -3.1661 -3.1655 -2.4444 -2.4437 -1.8715 -1.8713 0.1308 0.1403 0.3390 0.3579 0.8048 0.8078 0.9447 0.9577 1.6615 1.6749 1.8025 1.8112 2.4923 2.4968 2.6234 2.6336 3.0385 3.0418 3.8166 3.8254 4.0992 4.1141 4.1161 4.1251 5.8718 5.8754 5.8904 5.9071 6.1146 6.1295 7.7722 7.7747 7.9300 7.9397 8.8947 8.8977 9.1167 9.1170 9.1934 9.1948 k = 0.2500 0.4330-0.0000 ( 5950 PWs) bands (ev): -9.2201 -9.2200 -8.5836 -8.5835 -8.1738 -8.1736 -6.9173 -6.9166 -6.8847 -6.8840 -6.6504 -6.6493 -3.1597 -3.1590 -2.4722 -2.4714 -1.8265 -1.8262 0.1026 0.1118 0.3218 0.3409 0.7476 0.7505 0.9577 0.9717 1.6542 1.6684 1.8334 1.8416 2.5080 2.5138 2.6286 2.6388 3.0573 3.0603 3.7886 3.7970 4.1120 4.1138 4.1191 4.1400 5.8603 5.8640 5.8717 5.8882 6.1128 6.1275 7.7744 7.7768 7.9612 7.9715 8.9004 8.9033 9.1186 9.1190 9.2203 9.2219 k = 0.2407 0.4170-0.0000 ( 5946 PWs) bands (ev): -9.2575 -9.2574 -8.5437 -8.5436 -8.1553 -8.1550 -6.9325 -6.9317 -6.8979 -6.8971 -6.6378 -6.6366 -3.1526 -3.1519 -2.4993 -2.4985 -1.7803 -1.7800 0.0748 0.0837 0.3032 0.3223 0.6882 0.6908 0.9675 0.9824 1.6457 1.6605 1.8666 1.8743 2.5249 2.5319 2.6336 2.6438 3.0756 3.0781 3.7600 3.7680 4.1072 4.1083 4.1396 4.1600 5.8486 5.8520 5.8549 5.8706 6.1094 6.1238 7.7785 7.7806 7.9947 8.0054 8.9044 8.9074 9.1213 9.1219 9.2512 9.2530 k = 0.2315 0.4009-0.0000 ( 5936 PWs) bands (ev): -9.2943 -9.2942 -8.5031 -8.5030 -8.1359 -8.1356 -6.9481 -6.9473 -6.9121 -6.9113 -6.6250 -6.6238 -3.1450 -3.1443 -2.5257 -2.5249 -1.7332 -1.7328 0.0474 0.0561 0.2835 0.3025 0.6273 0.6297 0.9743 0.9900 1.6363 1.6517 1.9007 1.9081 2.5421 2.5502 2.6388 2.6489 3.0932 3.0953 3.7311 3.7388 4.1010 4.1012 4.1612 4.1813 5.8371 5.8380 5.8422 5.8547 6.1045 6.1187 7.7846 7.7864 8.0298 8.0408 8.9064 8.9095 9.1250 9.1259 9.2857 9.2879 k = 0.2222 0.3849-0.0000 ( 5938 PWs) bands (ev): -9.3305 -9.3304 -8.4619 -8.4618 -8.1157 -8.1154 -6.9641 -6.9632 -6.9273 -6.9265 -6.6121 -6.6108 -3.1370 -3.1362 -2.5515 -2.5507 -1.6850 -1.6846 0.0207 0.0290 0.2629 0.2818 0.5656 0.5678 0.9785 0.9948 1.6266 1.6424 1.9343 1.9413 2.5588 2.5678 2.6444 2.6545 3.1106 3.1123 3.7020 3.7094 4.0930 4.0940 4.1834 4.2032 5.8247 5.8261 5.8313 5.8407 6.0985 6.1125 7.7930 7.7945 8.0662 8.0772 8.9061 8.9095 9.1299 9.1313 9.3230 9.3258 k = 0.2130 0.3689-0.0000 ( 5926 PWs) bands (ev): -9.3658 -9.3657 -8.4202 -8.4201 -8.0948 -8.0945 -6.9803 -6.9794 -6.9434 -6.9425 -6.5991 -6.5978 -3.1286 -3.1278 -2.5769 -2.5760 -1.6359 -1.6355 -0.0055 0.0025 0.2415 0.2601 0.5038 0.5057 0.9803 0.9973 1.6168 1.6329 1.9658 1.9724 2.5743 2.5841 2.6503 2.6605 3.1282 3.1297 3.6728 3.6798 4.0842 4.0863 4.2058 4.2253 5.8133 5.8159 5.8214 5.8288 6.0917 6.1055 7.8040 7.8051 8.1033 8.1143 8.9035 8.9072 9.1362 9.1383 9.3624 9.3659 k = 0.2037 0.3528-0.0000 ( 5920 PWs) bands (ev): -9.4003 -9.4002 -8.3782 -8.3780 -8.0734 -8.0730 -6.9968 -6.9959 -6.9603 -6.9594 -6.5862 -6.5849 -3.1198 -3.1190 -2.6017 -2.6009 -1.5859 -1.5854 -0.0310 -0.0234 0.2195 0.2378 0.4424 0.4440 0.9804 0.9978 1.6074 1.6236 1.9935 1.9998 2.5880 2.5985 2.6566 2.6669 3.1469 3.1484 3.6435 3.6502 4.0751 4.0781 4.2281 4.2472 5.8041 5.8067 5.8125 5.8191 6.0843 6.0979 7.8179 7.8185 8.1408 8.1516 8.8983 8.9023 9.1443 9.1470 9.4031 9.4073 k = 0.1944 0.3368-0.0000 ( 5924 PWs) bands (ev): -9.4337 -9.4336 -8.3358 -8.3357 -8.0515 -8.0511 -7.0135 -7.0125 -6.9779 -6.9769 -6.5734 -6.5721 -3.1108 -3.1099 -2.6262 -2.6253 -1.5351 -1.5345 -0.0558 -0.0486 0.1969 0.2149 0.3820 0.3833 0.9791 0.9968 1.5984 1.6148 2.0162 2.0221 2.5997 2.6107 2.6629 2.6734 3.1674 3.1690 3.6141 3.6205 4.0659 4.0699 4.2500 4.2686 5.7969 5.7989 5.8051 5.8114 6.0765 6.0900 7.8348 7.8350 8.1780 8.1884 8.8905 8.8948 9.1543 9.1580 9.4442 9.4492 k = 0.1852 0.3208-0.0000 ( 5932 PWs) bands (ev): -9.4661 -9.4660 -8.2933 -8.2932 -8.0293 -8.0288 -7.0304 -7.0294 -6.9961 -6.9951 -6.5608 -6.5594 -3.1015 -3.1007 -2.6503 -2.6494 -1.4835 -1.4828 -0.0799 -0.0732 0.1738 0.1914 0.3230 0.3241 0.9768 0.9948 1.5903 1.6066 2.0326 2.0380 2.6093 2.6206 2.6691 2.6800 3.1902 3.1922 3.5847 3.5908 4.0572 4.0620 4.2711 4.2892 5.7918 5.7926 5.7991 5.8056 6.0687 6.0820 7.8548 7.8551 8.2145 8.2244 8.8798 8.8846 9.1668 9.1714 9.4847 9.4906 k = 0.1759 0.3047-0.0000 ( 5936 PWs) bands (ev): -9.4972 -9.4971 -8.2507 -8.2506 -8.0067 -8.0063 -7.0474 -7.0463 -7.0148 -7.0138 -6.5483 -6.5470 -3.0921 -3.0913 -2.6740 -2.6731 -1.4312 -1.4305 -0.1035 -0.0971 0.1504 0.1676 0.2659 0.2668 0.9739 0.9921 1.5831 1.5993 2.0420 2.0469 2.6165 2.6280 2.6752 2.6865 3.2153 3.2178 3.5553 3.5611 4.0498 4.0551 4.2913 4.3087 5.7879 5.7882 5.7948 5.8015 6.0611 6.0743 7.8780 7.8789 8.2498 8.2591 8.8664 8.8716 9.1821 9.1878 9.5241 9.5307 k = 0.1667 0.2887-0.0000 ( 5930 PWs) bands (ev): -9.5271 -9.5270 -8.2082 -8.2082 -7.9840 -7.9835 -7.0644 -7.0633 -7.0340 -7.0330 -6.5362 -6.5348 -3.0826 -3.0818 -2.6974 -2.6966 -1.3785 -1.3777 -0.1264 -0.1206 0.1266 0.1433 0.2113 0.2118 0.9706 0.9889 1.5769 1.5929 2.0440 2.0482 2.6215 2.6330 2.6814 2.6932 3.2422 3.2454 3.5259 3.5314 4.0443 4.0500 4.3103 4.3269 5.7847 5.7861 5.7922 5.7988 6.0538 6.0669 7.9049 7.9063 8.2835 8.2919 8.8505 8.8559 9.2008 9.2076 9.5616 9.5689 k = 0.1574 0.2726-0.0000 ( 5936 PWs) bands (ev): -9.5557 -9.5556 -8.1659 -8.1659 -7.9611 -7.9606 -7.0815 -7.0805 -7.0535 -7.0525 -6.5243 -6.5229 -3.0731 -3.0723 -2.7205 -2.7197 -1.3253 -1.3244 -0.1489 -0.1436 0.1026 0.1188 0.1595 0.1598 0.9671 0.9855 1.5719 1.5875 2.0385 2.0420 2.6243 2.6357 2.6880 2.7004 3.2694 3.2737 3.4966 3.5017 4.0419 4.0476 4.3279 4.3437 5.7831 5.7851 5.7911 5.7973 6.0471 6.0601 7.9353 7.9373 8.3149 8.3225 8.8321 8.8378 9.2234 9.2313 9.5971 9.6048 k = 0.1481 0.2566-0.0000 ( 5950 PWs) bands (ev): -9.5829 -9.5828 -8.1240 -8.1240 -7.9382 -7.9376 -7.0987 -7.0976 -7.0734 -7.0723 -6.5128 -6.5114 -3.0636 -3.0629 -2.7432 -2.7424 -1.2719 -1.2710 -0.1710 -0.1663 0.0783 0.0940 0.1110 0.1111 0.9637 0.9820 1.5680 1.5833 2.0260 2.0287 2.6249 2.6361 2.6955 2.7083 3.2953 3.3009 3.4676 3.4722 4.0437 4.0493 4.3440 4.3589 5.7827 5.7849 5.7914 5.7967 6.0414 6.0542 7.9693 7.9719 8.3437 8.3504 8.8116 8.8177 9.2503 9.2593 9.6304 9.6383 k = 0.1389 0.2406-0.0000 ( 5952 PWs) bands (ev): -9.6087 -9.6086 -8.0826 -8.0826 -7.9153 -7.9147 -7.1159 -7.1148 -7.0933 -7.0923 -6.5017 -6.5004 -3.0543 -3.0535 -2.7656 -2.7647 -1.2184 -1.2174 -0.1929 -0.1888 0.0530 0.0644 0.0669 0.0709 0.9604 0.9786 1.5654 1.5802 2.0070 2.0088 2.6236 2.6345 2.7042 2.7175 3.3178 3.3249 3.4389 3.4429 4.0510 4.0561 4.3587 4.3726 5.7834 5.7852 5.7927 5.7967 6.0367 6.0494 8.0064 8.0096 8.3696 8.3753 8.7895 8.7959 9.2819 9.2920 9.6617 9.6696 k = 0.1296 0.2245-0.0000 ( 5948 PWs) bands (ev): -9.6330 -9.6330 -8.0419 -8.0418 -7.8925 -7.8919 -7.1331 -7.1319 -7.1134 -7.1124 -6.4911 -6.4897 -3.0451 -3.0443 -2.7874 -2.7866 -1.1651 -1.1640 -0.2146 -0.2111 0.0208 0.0240 0.0337 0.0455 0.9573 0.9754 1.5639 1.5783 1.9823 1.9833 2.6205 2.6309 2.7145 2.7281 3.3348 3.3440 3.4111 3.4141 4.0646 4.0690 4.3717 4.3846 5.7848 5.7859 5.7948 5.7971 6.0332 6.0457 8.0462 8.0501 8.3924 8.3972 8.7662 8.7728 9.3185 9.3295 9.6915 9.6991 k = 0.1204 0.2085-0.0000 ( 5953 PWs) bands (ev): -9.6558 -9.6558 -8.0020 -8.0019 -7.8699 -7.8693 -7.1502 -7.1491 -7.1335 -7.1324 -6.4809 -6.4796 -3.0361 -3.0354 -2.8087 -2.8079 -1.1122 -1.1111 -0.2363 -0.2334 -0.0155 -0.0131 0.0088 0.0211 0.9545 0.9723 1.5636 1.5774 1.9530 1.9531 2.6159 2.6257 2.7265 2.7404 3.3443 3.3567 3.3851 3.3860 4.0849 4.0886 4.3833 4.3951 5.7867 5.7867 5.7972 5.7977 6.0313 6.0434 8.0883 8.0929 8.4120 8.4159 8.7422 8.7491 9.3600 9.3719 9.7202 9.7272 k = 0.1111 0.1925-0.0000 ( 5961 PWs) bands (ev): -9.6771 -9.6770 -7.9631 -7.9629 -7.8476 -7.8470 -7.1673 -7.1662 -7.1535 -7.1524 -6.4713 -6.4701 -3.0274 -3.0268 -2.8293 -2.8285 -1.0599 -1.0588 -0.2580 -0.2557 -0.0485 -0.0461 -0.0147 -0.0029 0.9520 0.9695 1.5644 1.5775 1.9194 1.9200 2.6098 2.6191 2.7403 2.7545 3.3417 3.3582 3.3627 3.3651 4.1115 4.1144 4.3933 4.4041 5.7877 5.7886 5.7986 5.7997 6.0308 6.0426 8.1317 8.1371 8.4284 8.4315 8.7179 8.7251 9.4065 9.4190 9.7483 9.7547 k = 0.1019 0.1764-0.0000 ( 5967 PWs) bands (ev): -9.6967 -9.6967 -7.9253 -7.9251 -7.8257 -7.8251 -7.1843 -7.1831 -7.1733 -7.1722 -6.4623 -6.4611 -3.0191 -3.0185 -2.8491 -2.8484 -1.0086 -1.0075 -0.2795 -0.2778 -0.0774 -0.0749 -0.0376 -0.0264 0.9499 0.9670 1.5661 1.5785 1.8833 1.8846 2.6026 2.6113 2.7559 2.7702 3.3235 3.3324 3.3550 3.3610 4.1435 4.1456 4.4021 4.4118 5.7886 5.7903 5.7996 5.8020 6.0319 6.0431 8.1758 8.1818 8.4419 8.4443 8.6938 8.7013 9.4576 9.4706 9.7764 9.7820 k = 0.0926 0.1604-0.0000 ( 5967 PWs) bands (ev): -9.7148 -9.7147 -7.8889 -7.8887 -7.8044 -7.8037 -7.2011 -7.2000 -7.1927 -7.1916 -6.4539 -6.4528 -3.0113 -3.0107 -2.8679 -2.8673 -0.9587 -0.9575 -0.3006 -0.2994 -0.1024 -0.0997 -0.0598 -0.0494 0.9481 0.9646 1.5688 1.5804 1.8458 1.8478 2.5945 2.6026 2.7732 2.7875 3.3009 3.3076 3.3446 3.3534 4.1793 4.1807 4.4096 4.4182 5.7897 5.7919 5.8007 5.8039 6.0344 6.0449 8.2194 8.2262 8.4527 8.4545 8.6703 8.6781 9.5128 9.5263 9.8050 9.8097 k = 0.0833 0.1443-0.0000 ( 5963 PWs) bands (ev): -9.7312 -9.7311 -7.8540 -7.8538 -7.7837 -7.7830 -7.2176 -7.2166 -7.2116 -7.2106 -6.4461 -6.4451 -3.0039 -3.0034 -2.8856 -2.8850 -0.9104 -0.9093 -0.3210 -0.3202 -0.1237 -0.1209 -0.0812 -0.0716 0.9467 0.9625 1.5721 1.5829 1.8081 1.8106 2.5859 2.5933 2.7919 2.8062 3.2787 3.2844 3.3304 3.3405 4.2171 4.2179 4.4160 4.4236 5.7908 5.7933 5.8016 5.8053 6.0381 6.0477 8.2617 8.2692 8.4612 8.4625 8.6477 8.6559 9.5717 9.5854 9.8346 9.8384 k = 0.0741 0.1283-0.0000 ( 5963 PWs) bands (ev): -9.7459 -9.7459 -7.8210 -7.8208 -7.7638 -7.7632 -7.2339 -7.2328 -7.2298 -7.2289 -6.4391 -6.4381 -2.9971 -2.9967 -2.9021 -2.9015 -0.8643 -0.8633 -0.3404 -0.3399 -0.1415 -0.1388 -0.1016 -0.0930 0.9456 0.9606 1.5760 1.5858 1.7712 1.7740 2.5769 2.5836 2.8118 2.8261 3.2580 3.2630 3.3126 3.3235 4.2552 4.2555 4.4215 4.4280 5.7921 5.7946 5.8025 5.8062 6.0427 6.0514 8.3017 8.3099 8.4678 8.4687 8.6264 8.6350 9.6335 9.6474 9.8654 9.8684 k = 0.0648 0.1123-0.0000 ( 5957 PWs) bands (ev): -9.7589 -9.7589 -7.7902 -7.7899 -7.7450 -7.7444 -7.2496 -7.2487 -7.2472 -7.2463 -6.4328 -6.4319 -2.9910 -2.9906 -2.9171 -2.9166 -0.8210 -0.8201 -0.3583 -0.3580 -0.1564 -0.1538 -0.1210 -0.1133 0.9449 0.9588 1.5803 1.5890 1.7359 1.7390 2.5680 2.5740 2.8328 2.8468 3.2392 3.2437 3.2923 3.3035 4.2918 4.2920 4.4263 4.4317 5.7935 5.7959 5.8031 5.8067 6.0479 6.0556 8.3386 8.3473 8.4727 8.4732 8.6066 8.6156 9.6975 9.7114 9.8977 9.8999 k = 0.0556 0.0962-0.0000 ( 5957 PWs) bands (ev): -9.7703 -9.7703 -7.7617 -7.7614 -7.7275 -7.7269 -7.2646 -7.2639 -7.2632 -7.2626 -6.4272 -6.4265 -2.9855 -2.9852 -2.9305 -2.9301 -0.7809 -0.7801 -0.3745 -0.3743 -0.1686 -0.1661 -0.1390 -0.1324 0.9445 0.9572 1.5846 1.5923 1.7034 1.7065 2.5594 2.5646 2.8544 2.8679 3.2225 3.2266 3.2704 3.2816 4.3254 4.3260 4.4306 4.4349 5.7951 5.7972 5.8036 5.8068 6.0533 6.0600 8.3717 8.3809 8.4764 8.4765 8.5884 8.5978 9.7627 9.7765 9.9310 9.9325 k = 0.0463 0.0802-0.0000 ( 5965 PWs) bands (ev): -9.7799 -9.7799 -7.7361 -7.7358 -7.7116 -7.7111 -7.2786 -7.2785 -7.2775 -7.2774 -6.4225 -6.4218 -2.9808 -2.9805 -2.9421 -2.9417 -0.7448 -0.7442 -0.3885 -0.3885 -0.1785 -0.1762 -0.1554 -0.1499 0.9445 0.9556 1.5889 1.5953 1.6743 1.6773 2.5514 2.5559 2.8761 2.8890 3.2082 3.2119 3.2480 3.2588 4.3548 4.3558 4.4348 4.4380 5.7967 5.7985 5.8040 5.8066 6.0586 6.0642 8.4006 8.4101 8.4788 8.4791 8.5719 8.5817 9.8280 9.8416 9.9646 9.9655 k = 0.0370 0.0642-0.0000 ( 5977 PWs) bands (ev): -9.7878 -9.7878 -7.7139 -7.7136 -7.6977 -7.6972 -7.2914 -7.2913 -7.2904 -7.2902 -6.4185 -6.4180 -2.9769 -2.9767 -2.9518 -2.9515 -0.7135 -0.7131 -0.4003 -0.4003 -0.1864 -0.1842 -0.1697 -0.1654 0.9448 0.9541 1.5928 1.5979 1.6496 1.6522 2.5445 2.5481 2.8973 2.9092 3.1963 3.1997 3.2264 3.2361 4.3789 4.3802 4.4393 4.4413 5.7984 5.7997 5.8043 5.8063 6.0634 6.0679 8.4253 8.4348 8.4804 8.4811 8.5573 8.5674 9.8920 9.9054 9.9972 9.9976 k = 0.0278 0.0481-0.0000 ( 5981 PWs) bands (ev): -9.7940 -9.7939 -7.6957 -7.6954 -7.6862 -7.6858 -7.3021 -7.3020 -7.3012 -7.3010 -6.4154 -6.4150 -2.9739 -2.9737 -2.9594 -2.9591 -0.6878 -0.6875 -0.4096 -0.4095 -0.1924 -0.1903 -0.1815 -0.1786 0.9454 0.9526 1.5961 1.5997 1.6300 1.6319 2.5388 2.5416 2.9171 2.9274 3.1868 3.1901 3.2069 3.2149 4.3966 4.3982 4.4444 4.4453 5.7999 5.8006 5.8046 5.8059 6.0676 6.0710 8.4458 8.4547 8.4813 8.4827 8.5446 8.5546 9.9529 9.9656 10.0266 10.0268 k = 0.0185 0.0321-0.0000 ( 5993 PWs) bands (ev): -9.7984 -9.7983 -7.6820 -7.6819 -7.6774 -7.6772 -7.3102 -7.3102 -7.3094 -7.3093 -6.4131 -6.4129 -2.9719 -2.9719 -2.9646 -2.9644 -0.6686 -0.6684 -0.4163 -0.4163 -0.1969 -0.1948 -0.1899 -0.1886 0.9462 0.9512 1.5982 1.6001 1.6166 1.6175 2.5347 2.5366 2.9342 2.9420 3.1796 3.1831 3.1917 3.1967 4.4079 4.4093 4.4498 4.4501 5.8011 5.8014 5.8049 5.8056 6.0710 6.0732 8.4624 8.4694 8.4819 8.4842 8.5343 8.5434 10.0077 10.0189 10.0505 10.0506 k = 0.0093 0.0160-0.0000 ( 5993 PWs) bands (ev): -9.8010 -9.8010 -7.6739 -7.6738 -7.6716 -7.6715 -7.3153 -7.3153 -7.3145 -7.3145 -6.4118 -6.4116 -2.9714 -2.9713 -2.9672 -2.9671 -0.6566 -0.6565 -0.4204 -0.4203 -0.1998 -0.1982 -0.1947 -0.1945 0.9473 0.9498 1.5983 1.5987 1.6099 1.6100 2.5324 2.5333 2.9468 2.9511 3.1749 3.1784 3.1827 3.1838 4.4139 4.4147 4.4541 4.4542 5.8018 5.8019 5.8051 5.8054 6.0732 6.0743 8.4749 8.4775 8.4822 8.4859 8.5279 8.5341 10.0506 10.0583 10.0660 10.0663 k = 0.0000 0.0000 0.0000 ( 5993 PWs) bands (ev): -9.8019 -9.8019 -7.6714 -7.6714 -7.6693 -7.6693 -7.3171 -7.3171 -7.3162 -7.3162 -6.4113 -6.4113 -2.9716 -2.9716 -2.9676 -2.9676 -0.6526 -0.6526 -0.4217 -0.4217 -0.2003 -0.2003 -0.1961 -0.1961 0.9485 0.9485 1.5975 1.5975 1.6084 1.6084 2.5319 2.5319 2.9528 2.9528 3.1745 3.1745 3.1799 3.1799 4.4160 4.4160 4.4558 4.4558 5.8020 5.8020 5.8053 5.8053 6.0744 6.0744 8.4798 8.4798 8.4846 8.4846 8.5280 8.5280 10.0704 10.0704 10.0722 10.0722 k = 0.0000 0.0000 0.0000 ( 5993 PWs) bands (ev): -9.8019 -9.8019 -7.6714 -7.6714 -7.6693 -7.6693 -7.3171 -7.3171 -7.3162 -7.3162 -6.4113 -6.4113 -2.9716 -2.9716 -2.9676 -2.9676 -0.6526 -0.6526 -0.4217 -0.4217 -0.2003 -0.2003 -0.1961 -0.1961 0.9485 0.9485 1.5975 1.5975 1.6084 1.6084 2.5319 2.5319 2.9528 2.9528 3.1745 3.1745 3.1799 3.1799 4.4160 4.4160 4.4558 4.4558 5.8020 5.8020 5.8053 5.8053 6.0744 6.0744 8.4798 8.4798 8.4846 8.4846 8.5280 8.5280 10.0704 10.0704 10.0722 10.0722 k = 0.0000 0.0000 0.0184 ( 5981 PWs) bands (ev): -9.8008 -9.8008 -7.6711 -7.6702 -7.6690 -7.6682 -7.3802 -7.3794 -7.2556 -7.2548 -6.4127 -6.4126 -3.0466 -3.0427 -2.8944 -2.8903 -0.6612 -0.6583 -0.4133 -0.4096 -0.2253 -0.2207 -0.1732 -0.1694 0.9450 0.9477 1.5252 1.5360 1.6696 1.6806 2.5314 2.5317 2.9553 2.9581 3.1516 3.1561 3.1969 3.2029 4.3817 4.4225 4.4502 4.4891 5.7512 5.7537 5.8457 5.8496 6.0650 6.0652 8.3951 8.4014 8.5299 8.5321 8.5639 8.5711 10.0316 10.0329 10.0972 10.0994 k = 0.0000 0.0000 0.0367 ( 5993 PWs) bands (ev): -9.7977 -9.7977 -7.6693 -7.6678 -7.6673 -7.6657 -7.4447 -7.4439 -7.1961 -7.1953 -6.4171 -6.4168 -3.1192 -3.1153 -2.8154 -2.8113 -0.6806 -0.6757 -0.3869 -0.3806 -0.2482 -0.2431 -0.1438 -0.1404 0.9373 0.9426 1.4532 1.4638 1.7413 1.7524 2.5303 2.5311 2.9653 2.9709 3.1290 3.1324 3.2180 3.2246 4.3477 4.3895 4.4841 4.5222 5.6937 5.6953 5.8815 5.8860 6.0375 6.0381 8.3113 8.3183 8.5455 8.5466 8.6460 8.6517 9.9849 9.9858 10.1072 10.1094 k = 0.0000 0.0000 0.0551 ( 5993 PWs) bands (ev): -9.7925 -9.7924 -7.6661 -7.6641 -7.6641 -7.6620 -7.5102 -7.5092 -7.1387 -7.1380 -6.4242 -6.4238 -3.1891 -3.1853 -2.7349 -2.7306 -0.7050 -0.6993 -0.3486 -0.3407 -0.2690 -0.2636 -0.1122 -0.1093 0.9257 0.9335 1.3819 1.3922 1.8122 1.8233 2.5289 2.5302 2.9825 2.9906 3.1072 3.1093 3.2370 3.2440 4.3144 4.3573 4.5174 4.5547 5.6300 5.6308 5.9086 5.9133 5.9930 5.9944 8.2300 8.2375 8.5687 8.5695 8.7250 8.7299 9.9335 9.9340 10.0980 10.0998 k = 0.0000 0.0000 0.0735 ( 5993 PWs) bands (ev): -9.7852 -9.7851 -7.6615 -7.6603 -7.6595 -7.6583 -7.5752 -7.5742 -7.0839 -7.0832 -6.4341 -6.4336 -3.2561 -3.2524 -2.6530 -2.6486 -0.7307 -0.7246 -0.3030 -0.2953 -0.2865 -0.2821 -0.0784 -0.0759 0.9109 0.9211 1.3116 1.3216 1.8819 1.8930 2.5276 2.5294 3.0060 3.0163 3.0872 3.0877 3.2530 3.2603 4.2823 4.3265 4.5500 4.5866 5.5606 5.5606 5.9228 5.9262 5.9331 5.9435 8.1532 8.1611 8.5983 8.5988 8.7998 8.8040 9.8792 9.8794 10.0725 10.0734 k = 0.0000 0.0000 0.0918 ( 5981 PWs) bands (ev): -9.7758 -9.7757 -7.6674 -7.6662 -7.6556 -7.6536 -7.6287 -7.6268 -7.0317 -7.0311 -6.4467 -6.4460 -3.3199 -3.3163 -2.5702 -2.5656 -0.7556 -0.7495 -0.3055 -0.2989 -0.2528 -0.2426 -0.0425 -0.0405 0.8937 0.9061 1.2429 1.2526 1.9501 1.9611 2.5268 2.5291 3.0352 3.0452 3.0680 3.0712 3.2652 3.2726 4.2520 4.2974 4.5818 4.6177 5.4849 5.4859 5.8588 5.8598 5.9332 5.9420 8.0827 8.0911 8.6321 8.6322 8.8692 8.8728 9.8233 9.8234 10.0369 10.0371 k = 0.0000 0.0000 0.1102 ( 5987 PWs) bands (ev): -9.7643 -9.7642 -7.7213 -7.7206 -7.6483 -7.6464 -7.6344 -7.6321 -6.9826 -6.9820 -6.4618 -6.4611 -3.3804 -3.3767 -2.4866 -2.4819 -0.7787 -0.7726 -0.3210 -0.3141 -0.2002 -0.1896 -0.0049 -0.0034 0.8753 0.8895 1.1764 1.1857 2.0164 2.0273 2.5267 2.5296 3.0494 3.0508 3.0690 3.0872 3.2726 3.2801 4.2241 4.2709 4.6127 4.6479 5.4044 5.4063 5.7750 5.7751 5.9287 5.9376 8.0207 8.0293 8.6669 8.6677 8.9320 8.9351 9.7665 9.7669 9.9975 9.9988 k = 0.0000 0.0000 0.1285 ( 5975 PWs) bands (ev): -9.7507 -9.7506 -7.7884 -7.7876 -7.6398 -7.6379 -7.6259 -7.6236 -6.9366 -6.9360 -6.4795 -6.4786 -3.4372 -3.4336 -2.4026 -2.3978 -0.7994 -0.7935 -0.3350 -0.3278 -0.1468 -0.1359 0.0341 0.0350 0.8570 0.8728 1.1129 1.1217 2.0806 2.0913 2.5274 2.5310 3.0366 3.0380 3.1067 3.1254 3.2744 3.2818 4.1992 4.2473 4.6425 4.6771 5.3195 5.3222 5.6811 5.6814 5.9118 5.9211 7.9688 7.9778 8.7006 8.7023 8.9872 8.9899 9.7096 9.7103 9.9606 9.9628 k = 0.0000 0.0000 0.1469 ( 5964 PWs) bands (ev): -9.7351 -9.7350 -7.8572 -7.8564 -7.6300 -7.6282 -7.6144 -7.6122 -6.8940 -6.8935 -6.4995 -6.4985 -3.4903 -3.4867 -2.3185 -2.3135 -0.8174 -0.8117 -0.3477 -0.3402 -0.0945 -0.0836 0.0737 0.0740 0.8408 0.8578 1.0534 1.0616 2.1422 2.1527 2.5290 2.5333 3.0259 3.0292 3.1476 3.1676 3.2697 3.2770 4.1779 4.2272 4.6714 4.7053 5.2306 5.2342 5.5799 5.5806 5.8819 5.8917 7.9287 7.9379 8.7308 8.7337 9.0335 9.0359 9.6533 9.6541 9.9298 9.9327 k = 0.0000 0.0000 0.1653 ( 5934 PWs) bands (ev): -9.7174 -9.7173 -7.9264 -7.9257 -7.6192 -7.6174 -7.6010 -7.5988 -6.8550 -6.8546 -6.5218 -6.5206 -3.5394 -3.5359 -2.2344 -2.2293 -0.8327 -0.8272 -0.3591 -0.3513 -0.0453 -0.0348 0.1124 0.1129 0.8290 0.8465 0.9993 1.0068 2.2012 2.2113 2.5313 2.5363 3.0191 3.0240 3.1907 3.2122 3.2581 3.2653 4.1604 4.2109 4.6990 4.7325 5.1383 5.1426 5.4734 5.4743 5.8388 5.8492 7.9013 7.9108 8.7556 8.7599 9.0700 9.0721 9.5978 9.5986 9.9069 9.9103 k = 0.0000 0.0000 0.1836 ( 5922 PWs) bands (ev): -9.6977 -9.6976 -7.9959 -7.9951 -7.6073 -7.6056 -7.5859 -7.5837 -6.8196 -6.8193 -6.5461 -6.5449 -3.5845 -3.5810 -2.1507 -2.1454 -0.8452 -0.8400 -0.3694 -0.3614 -0.0017 0.0079 0.1485 0.1500 0.8243 0.8417 0.9526 0.9590 2.2572 2.2669 2.5341 2.5398 3.0163 3.0229 3.2338 3.2410 3.2462 3.2585 4.1470 4.1984 4.7254 4.7586 5.0433 5.0482 5.3633 5.3643 5.7830 5.7939 7.8871 7.8968 8.7736 8.7793 9.0962 9.0982 9.5435 9.5445 9.8923 9.8958 k = 0.0000 0.0000 0.2020 ( 5934 PWs) bands (ev): -9.6760 -9.6758 -8.0652 -8.0645 -7.5945 -7.5928 -7.5693 -7.5670 -6.7881 -6.7879 -6.5724 -6.5710 -3.6256 -3.6222 -2.0676 -2.0622 -0.8549 -0.8500 -0.3787 -0.3705 0.0338 0.0417 0.1799 0.1828 0.8297 0.8462 0.9158 0.9209 2.3102 2.3195 2.5369 2.5433 3.0177 3.0259 3.2120 3.2198 3.2824 3.3059 4.1375 4.1897 4.7501 4.7836 4.9465 4.9514 5.2515 5.2524 5.7153 5.7267 7.8859 7.8957 8.7841 8.7911 9.1126 9.1146 9.4909 9.4919 9.8845 9.8881 k = 0.0000 0.0000 0.2204 ( 5946 PWs) bands (ev): -9.6522 -9.6520 -8.1343 -8.1336 -7.5809 -7.5793 -7.5510 -7.5487 -6.7605 -6.7603 -6.6004 -6.5990 -3.6626 -3.6592 -1.9853 -1.9797 -0.8622 -0.8575 -0.3870 -0.3787 0.0588 0.0644 0.2038 0.2082 0.8477 0.8624 0.8920 0.8956 2.3604 2.3691 2.5391 2.5464 3.0232 3.0330 3.1782 3.1862 3.3294 3.3538 4.1316 4.1844 4.7703 4.8074 4.8512 4.8529 5.1396 5.1402 5.6371 5.6490 7.8968 7.9068 8.7872 8.7953 9.1204 9.1224 9.4404 9.4414 9.8811 9.8846 k = 0.0000 0.0000 0.2387 ( 5934 PWs) bands (ev): -9.6264 -9.6262 -8.2030 -8.2023 -7.5666 -7.5650 -7.5313 -7.5290 -6.7366 -6.7366 -6.6300 -6.6286 -3.6955 -3.6922 -1.9041 -1.8984 -0.8670 -0.8627 -0.3946 -0.3862 0.0719 0.0745 0.2171 0.2232 0.8799 0.8845 0.8860 0.8924 2.4079 2.4159 2.5402 2.5485 3.0323 3.0438 3.1373 3.1459 3.3767 3.4019 4.1287 4.1818 4.7358 4.7531 4.8077 4.8304 5.0293 5.0299 5.5501 5.5625 7.9189 7.9290 8.7835 8.7925 9.1215 9.1235 9.3923 9.3933 9.8785 9.8823 k = 0.0000 0.0000 0.2571 ( 5934 PWs) bands (ev): -9.5986 -9.5985 -8.2712 -8.2705 -7.5518 -7.5503 -7.5101 -7.5078 -6.7166 -6.7166 -6.6611 -6.6596 -3.7245 -3.7213 -1.8241 -1.8183 -0.8697 -0.8657 -0.4014 -0.3931 0.0725 0.0730 0.2179 0.2257 0.8950 0.8952 0.9262 0.9358 2.4533 2.4603 2.5393 2.5487 3.0440 3.0577 3.0900 3.0998 3.4241 3.4497 4.1281 4.1814 4.6399 4.6531 4.8207 4.8519 4.9212 4.9264 5.4560 5.4688 7.9508 7.9610 8.7741 8.7837 9.1178 9.1198 9.3473 9.3483 9.8732 9.8778 k = 0.0000 0.0000 0.2754 ( 5934 PWs) bands (ev): -9.5689 -9.5687 -8.3387 -8.3380 -7.5366 -7.5351 -7.4875 -7.4852 -6.7005 -6.7001 -6.6932 -6.6919 -3.7497 -3.7466 -1.7456 -1.7396 -0.8707 -0.8669 -0.4076 -0.3994 0.0599 0.0635 0.2061 0.2154 0.9225 0.9243 0.9852 0.9920 2.4970 2.5020 2.5353 2.5471 3.0368 3.0409 3.0650 3.0739 3.4712 3.4969 4.1292 4.1825 4.5404 4.5533 4.7986 4.8177 4.8655 4.8723 5.3567 5.3698 7.9910 8.0013 8.7603 8.7702 9.1113 9.1131 9.3059 9.3068 9.8627 9.8684 k = 0.0000 0.0000 0.2938 ( 5946 PWs) bands (ev): -9.5372 -9.5369 -8.4054 -8.4048 -7.5213 -7.5199 -7.4636 -7.4613 -6.7271 -6.7253 -6.6871 -6.6871 -3.7714 -3.7684 -1.6686 -1.6625 -0.8702 -0.8668 -0.4131 -0.4052 0.0390 0.0454 0.1836 0.1941 0.9667 0.9698 1.0549 1.0591 2.5271 2.5295 2.5398 2.5545 2.9782 2.9862 3.0780 3.0916 3.5178 3.5434 4.1311 4.1844 4.4412 4.4546 4.7121 4.7202 4.8749 4.8914 5.2537 5.2671 8.0379 8.0482 8.7434 8.7533 9.1035 9.1051 9.2686 9.2696 9.8461 9.8527 k = 0.0000 0.0000 0.3122 ( 5958 PWs) bands (ev): -9.5035 -9.5033 -8.4714 -8.4708 -7.5059 -7.5046 -7.4383 -7.4360 -6.7615 -6.7597 -6.6773 -6.6771 -3.7897 -3.7869 -1.5934 -1.5873 -0.8688 -0.8657 -0.4181 -0.4105 0.0124 0.0211 0.1534 0.1648 1.0248 1.0289 1.1330 1.1349 2.5135 2.5219 2.5823 2.5912 2.9147 2.9236 3.0946 3.1096 3.5638 3.5891 4.1334 4.1864 4.3438 4.3577 4.6249 4.6304 4.8918 4.9091 5.1487 5.1624 8.0901 8.1003 8.7245 8.7342 9.0954 9.0968 9.2363 9.2373 9.8235 9.8308 k = 0.0000 0.0000 0.3305 ( 5946 PWs) bands (ev): -9.4679 -9.4677 -8.5363 -8.5357 -7.4908 -7.4896 -7.4117 -7.4094 -6.7967 -6.7949 -6.6702 -6.6700 -3.8049 -3.8023 -1.5201 -1.5140 -0.8672 -0.8644 -0.4226 -0.4154 -0.0178 -0.0070 0.1182 0.1302 1.0939 1.0988 1.2177 1.2177 2.4933 2.5033 2.6251 2.6326 2.8467 2.8562 3.1109 3.1269 3.6094 3.6339 4.1353 4.1879 4.2490 4.2636 4.5459 4.5497 4.9088 4.9253 5.0433 5.0572 8.1458 8.1559 8.7047 8.7139 9.0880 9.0891 9.2098 9.2110 9.7963 9.8038 k = 0.0000 0.0000 0.3489 ( 5940 PWs) bands (ev): -9.4304 -9.4302 -8.6002 -8.5997 -7.4762 -7.4751 -7.3839 -7.3815 -6.8326 -6.8306 -6.6655 -6.6653 -3.8174 -3.8149 -1.4490 -1.4429 -0.8659 -0.8635 -0.4266 -0.4199 -0.0494 -0.0369 0.0802 0.0927 1.1716 1.1771 1.3057 1.3075 2.4651 2.4762 2.6688 2.6753 2.7747 2.7847 3.1255 3.1423 3.6546 3.6781 4.1364 4.1581 4.1728 4.1888 4.4773 4.4796 4.9248 4.9353 4.9435 4.9527 8.2034 8.2131 8.6846 8.6933 9.0818 9.0826 9.1902 9.1917 9.7661 9.7736 k = 0.0000 0.0000 0.3673 ( 5928 PWs) bands (ev): -9.3911 -9.3908 -8.6630 -8.6625 -7.4624 -7.4613 -7.3549 -7.3525 -6.8689 -6.8669 -6.6629 -6.6626 -3.8274 -3.8252 -1.3801 -1.3742 -0.8661 -0.8639 -0.4300 -0.4240 -0.0806 -0.0667 0.0412 0.0542 1.2559 1.2620 1.3977 1.4008 2.4282 2.4400 2.6989 2.7056 2.7173 2.7192 3.1372 3.1545 3.6998 3.7221 4.0723 4.0875 4.1361 4.1874 4.4203 4.4207 4.8362 4.8505 4.9395 4.9536 8.2610 8.2702 8.6649 8.6729 9.0770 9.0775 9.1787 9.1806 9.7346 9.7418 k = 0.0000 0.0000 0.3856 ( 5940 PWs) bands (ev): -9.3499 -9.3496 -8.7247 -8.7242 -7.4496 -7.4486 -7.3247 -7.3224 -6.9055 -6.9035 -6.6618 -6.6615 -3.8353 -3.8334 -1.3138 -1.3081 -0.8687 -0.8667 -0.4330 -0.4276 -0.1097 -0.0946 0.0026 0.0161 1.3453 1.3519 1.4924 1.4968 2.3819 2.3941 2.6196 2.6296 2.7606 2.7645 3.1447 3.1623 3.7454 3.7665 3.9930 4.0082 4.1339 4.1841 4.3737 4.3751 4.7377 4.7518 4.9527 4.9650 8.3166 8.3251 8.6459 8.6531 9.0737 9.0740 9.1766 9.1792 9.7037 9.7100 k = 0.0000 0.0000 0.4040 ( 5952 PWs) bands (ev): -9.3069 -9.3066 -8.7850 -8.7845 -7.4381 -7.4373 -7.2936 -7.2913 -6.9424 -6.9403 -6.6618 -6.6616 -3.8413 -3.8397 -1.2504 -1.2448 -0.8748 -0.8729 -0.4354 -0.4309 -0.1349 -0.1191 -0.0344 -0.0206 1.4384 1.4455 1.5889 1.5943 2.3261 2.3386 2.5371 2.5473 2.8082 2.8109 3.1468 3.1642 3.7918 3.8117 3.9220 3.9365 4.1292 4.1779 4.3384 4.3418 4.6443 4.6580 4.9643 4.9748 8.3685 8.3760 8.6278 8.6340 9.0719 9.0719 9.1851 9.1887 9.6746 9.6796 k = 0.0000 0.0000 0.4223 ( 5970 PWs) bands (ev): -9.2621 -9.2618 -8.8441 -8.8436 -7.4282 -7.4275 -7.2614 -7.2591 -6.9792 -6.9771 -6.6625 -6.6623 -3.8458 -3.8445 -1.1901 -1.1849 -0.8856 -0.8837 -0.4373 -0.4336 -0.1549 -0.1385 -0.0690 -0.0547 1.5341 1.5417 1.6864 1.6925 2.2612 2.2739 2.4516 2.4620 2.8569 2.8581 3.1423 3.1590 3.8393 3.8558 3.8637 3.8743 4.1210 4.1677 4.3146 4.3197 4.5582 4.5709 4.9742 4.9826 8.4151 8.4213 8.6105 8.6158 9.0710 9.0711 9.2052 9.2102 9.6488 9.6497 k = 0.0000 0.0000 0.4407 ( 5958 PWs) bands (ev): -9.2156 -9.2152 -8.9017 -8.9013 -7.4201 -7.4197 -7.2284 -7.2261 -7.0160 -7.0139 -6.6636 -6.6634 -3.8490 -3.8480 -1.1335 -1.1286 -0.9022 -0.9001 -0.4387 -0.4359 -0.1684 -0.1517 -0.1002 -0.0854 1.6311 1.6392 1.7837 1.7904 2.1886 2.2012 2.3634 2.3739 2.9053 2.9059 3.1303 3.1456 3.8118 3.8232 3.8876 3.9073 4.1081 4.1518 4.3019 4.3080 4.4815 4.4925 4.9822 4.9886 8.4555 8.4601 8.5939 8.5980 9.0710 9.0712 9.2373 9.2438 9.5962 9.6157 k = 0.0000 0.0000 0.4591 ( 5940 PWs) bands (ev): -9.1673 -9.1670 -8.9579 -8.9575 -7.4142 -7.4139 -7.1945 -7.1922 -7.0526 -7.0504 -6.6645 -6.6644 -3.8511 -3.8504 -1.0810 -1.0766 -0.9252 -0.9227 -0.4396 -0.4377 -0.1746 -0.1579 -0.1271 -0.1119 1.7282 1.7367 1.8788 1.8856 2.1107 2.1236 2.2731 2.2837 2.9513 2.9539 3.1108 3.1238 3.7767 3.7849 3.9361 3.9570 4.0889 4.1284 4.3002 4.3062 4.4172 4.4254 4.9883 4.9926 8.4894 8.4924 8.5773 8.5802 9.0714 9.0716 9.2806 9.2888 9.5287 9.5451 k = 0.0000 0.0000 0.4774 ( 5940 PWs) bands (ev): -9.1174 -9.1170 -9.0126 -9.0122 -7.4105 -7.4104 -7.1599 -7.1576 -7.0888 -7.0866 -6.6652 -6.6652 -3.8522 -3.8519 -1.0333 -1.0294 -0.9548 -0.9520 -0.4399 -0.4390 -0.1732 -0.1567 -0.1488 -0.1331 1.8237 1.8323 1.9557 1.9610 2.0445 2.0588 2.1814 2.1921 2.9934 2.9975 3.0858 3.0954 3.7562 3.7606 3.9831 4.0069 4.0616 4.0958 4.3103 4.3145 4.3680 4.3719 4.9924 4.9946 8.5176 8.5190 8.5601 8.5617 9.0719 9.0720 9.3337 9.3439 9.4604 9.4746 k = 0.0000 0.0000 0.4958 ( 5952 PWs) bands (ev): -9.0658 -9.0658 -9.0654 -9.0654 -7.4092 -7.4092 -7.1246 -7.1246 -7.1224 -7.1224 -6.6655 -6.6655 -3.8525 -3.8525 -0.9910 -0.9910 -0.9876 -0.9876 -0.4397 -0.4397 -0.1644 -0.1644 -0.1483 -0.1483 1.9135 1.9135 1.9216 1.9216 2.0915 2.0915 2.1030 2.1030 3.0198 3.0198 3.0716 3.0716 3.7509 3.7509 4.0259 4.0259 4.0543 4.0543 4.3337 4.3337 4.3343 4.3343 4.9945 4.9945 8.5410 8.5410 8.5412 8.5412 9.0722 9.0722 9.3945 9.3945 9.4066 9.4066 k = 0.0000 0.0000 0.4958 ( 5952 PWs) bands (ev): -9.0658 -9.0658 -9.0654 -9.0654 -7.4092 -7.4092 -7.1246 -7.1246 -7.1224 -7.1224 -6.6655 -6.6655 -3.8525 -3.8525 -0.9910 -0.9910 -0.9876 -0.9876 -0.4397 -0.4397 -0.1644 -0.1644 -0.1483 -0.1483 1.9135 1.9135 1.9216 1.9216 2.0915 2.0915 2.1030 2.1030 3.0198 3.0198 3.0716 3.0716 3.7509 3.7509 4.0259 4.0259 4.0543 4.0543 4.3337 4.3337 4.3343 4.3343 4.9945 4.9945 8.5410 8.5410 8.5412 8.5412 9.0722 9.0722 9.3945 9.3945 9.4066 9.4066 k = 0.0161 0.0093 0.4958 ( 5944 PWs) bands (ev): -9.0651 -9.0651 -9.0647 -9.0646 -7.4103 -7.4101 -7.1264 -7.1262 -7.1231 -7.1229 -6.6658 -6.6657 -3.8503 -3.8501 -0.9937 -0.9929 -0.9887 -0.9884 -0.4391 -0.4373 -0.1617 -0.1615 -0.1455 -0.1453 1.9093 1.9097 1.9175 1.9180 2.0939 2.0943 2.1056 2.1062 3.0170 3.0179 3.0716 3.0719 3.7513 3.7524 4.0228 4.0229 4.0513 4.0516 4.3344 4.3365 4.3394 4.3413 4.9930 4.9942 8.5389 8.5396 8.5401 8.5408 9.0713 9.0716 9.3943 9.3944 9.4065 9.4066 k = 0.0323 0.0186 0.4958 ( 5942 PWs) bands (ev): -9.0630 -9.0630 -9.0623 -9.0622 -7.4131 -7.4128 -7.1332 -7.1329 -7.1233 -7.1229 -6.6666 -6.6665 -3.8436 -3.8433 -1.0032 -1.0017 -0.9893 -0.9884 -0.4355 -0.4321 -0.1543 -0.1530 -0.1369 -0.1356 1.8967 1.8995 1.9056 1.9080 2.0994 2.1022 2.1140 2.1151 3.0095 3.0114 3.0719 3.0723 3.7537 3.7559 4.0141 4.0146 4.0433 4.0439 4.3406 4.3484 4.3498 4.3571 4.9896 4.9920 8.5332 8.5347 8.5376 8.5389 9.0690 9.0696 9.3934 9.3939 9.4065 9.4069 k = 0.0484 0.0279 0.4958 ( 5944 PWs) bands (ev): -9.0597 -9.0597 -9.0582 -9.0581 -7.4178 -7.4173 -7.1448 -7.1444 -7.1233 -7.1226 -6.6681 -6.6680 -3.8325 -3.8319 -1.0185 -1.0166 -0.9892 -0.9878 -0.4297 -0.4250 -0.1433 -0.1399 -0.1218 -0.1184 1.8767 1.8847 1.8863 1.8935 2.1064 2.1123 2.1267 2.1305 2.9974 3.0003 3.0723 3.0730 3.7580 3.7613 4.0011 4.0025 4.0316 4.0327 4.3516 4.3642 4.3676 4.3791 4.9844 4.9879 8.5240 8.5261 8.5344 8.5361 9.0648 9.0655 9.3911 9.3926 9.4073 9.4086 k = 0.0645 0.0372 0.4958 ( 5948 PWs) bands (ev): -9.0552 -9.0551 -9.0523 -9.0523 -7.4242 -7.4235 -7.1607 -7.1603 -7.1231 -7.1222 -6.6703 -6.6701 -3.8170 -3.8163 -1.0387 -1.0364 -0.9886 -0.9868 -0.4226 -0.4169 -0.1290 -0.1234 -0.0989 -0.0936 1.8505 1.8606 1.8672 1.8758 2.1139 2.1221 2.1443 2.1500 2.9811 2.9849 3.0729 3.0739 3.7640 3.7685 3.9849 3.9879 4.0182 4.0206 4.3663 4.3813 4.3918 4.4050 4.9773 4.9820 8.5115 8.5140 8.5312 8.5331 9.0580 9.0589 9.3875 9.3900 9.4097 9.4122 k = 0.0806 0.0466 0.4958 ( 5956 PWs) bands (ev): -9.0494 -9.0493 -9.0449 -9.0448 -7.4323 -7.4315 -7.1808 -7.1803 -7.1229 -7.1219 -6.6733 -6.6730 -3.7974 -3.7964 -1.0625 -1.0599 -0.9875 -0.9853 -0.4148 -0.4086 -0.1111 -0.1039 -0.0686 -0.0620 1.8192 1.8296 1.8476 1.8560 2.1214 2.1309 2.1657 2.1724 2.9609 2.9657 3.0736 3.0749 3.7710 3.7769 3.9672 3.9716 4.0055 4.0094 4.3835 4.4002 4.4186 4.4328 4.9685 4.9742 8.4959 8.4986 8.5286 8.5307 9.0477 9.0487 9.3828 9.3864 9.4143 9.4177 k = 0.0968 0.0559 0.4958 ( 5946 PWs) bands (ev): -9.0423 -9.0422 -9.0357 -9.0357 -7.4420 -7.4411 -7.2046 -7.2041 -7.1229 -7.1216 -6.6770 -6.6767 -3.7736 -3.7726 -1.0890 -1.0863 -0.9857 -0.9831 -0.4071 -0.4006 -0.0897 -0.0814 -0.0316 -0.0242 1.7833 1.7940 1.8266 1.8348 2.1283 2.1385 2.1896 2.1969 2.9375 2.9433 3.0744 3.0760 3.7776 3.7854 3.9500 3.9544 3.9953 4.0004 4.4022 4.4199 4.4464 4.4610 4.9581 4.9647 8.4776 8.4805 8.5275 8.5297 9.0331 9.0345 9.3776 9.3822 9.4209 9.4254 k = 0.1129 0.0652 0.4958 ( 5932 PWs) bands (ev): -9.0340 -9.0339 -9.0250 -9.0249 -7.4532 -7.4522 -7.2319 -7.2313 -7.1229 -7.1215 -6.6815 -6.6812 -3.7461 -3.7449 -1.1176 -1.1148 -0.9830 -0.9802 -0.3997 -0.3932 -0.0651 -0.0560 0.0111 0.0189 1.7436 1.7545 1.8045 1.8124 2.1341 2.1448 2.2155 2.2231 2.9118 2.9186 3.0753 3.0772 3.7811 3.7918 3.9360 3.9391 3.9884 3.9944 4.4217 4.4399 4.4736 4.4882 4.9462 4.9537 8.4570 8.4600 8.5284 8.5307 9.0137 9.0154 9.3723 9.3779 9.4297 9.4351 k = 0.1290 0.0745 0.4958 ( 5936 PWs) bands (ev): -9.0246 -9.0244 -9.0126 -9.0125 -7.4658 -7.4647 -7.2623 -7.2617 -7.1232 -7.1216 -6.6869 -6.6865 -3.7150 -3.7136 -1.1475 -1.1447 -0.9794 -0.9763 -0.3928 -0.3863 -0.0373 -0.0277 0.0585 0.0666 1.7004 1.7113 1.7816 1.7892 2.1386 2.1494 2.2429 2.2506 2.8846 2.8924 3.0762 3.0783 3.7780 3.7926 3.9264 3.9313 3.9853 3.9921 4.4414 4.4596 4.4994 4.5136 4.9331 4.9412 8.4346 8.4377 8.5317 8.5342 8.9889 8.9911 9.3670 9.3736 9.4407 9.4469 k = 0.1452 0.0838 0.4958 ( 5944 PWs) bands (ev): -9.0140 -9.0138 -8.9986 -8.9985 -7.4798 -7.4785 -7.2956 -7.2949 -7.1237 -7.1220 -6.6931 -6.6927 -3.6806 -3.6790 -1.1782 -1.1755 -0.9747 -0.9714 -0.3862 -0.3800 -0.0069 0.0031 0.1099 0.1180 1.6542 1.6650 1.7582 1.7653 2.1412 2.1520 2.2715 2.2793 2.8571 2.8660 3.0771 3.0794 3.7660 3.7844 3.9231 3.9331 3.9862 3.9943 4.4607 4.4786 4.5229 4.5364 4.9190 4.9276 8.4110 8.4141 8.5378 8.5404 8.9589 8.9617 9.3622 9.3697 9.4535 9.4604 k = 0.1613 0.0931 0.4958 ( 5948 PWs) bands (ev): -9.0023 -9.0021 -8.9830 -8.9829 -7.4949 -7.4936 -7.3313 -7.3306 -7.1245 -7.1227 -6.7000 -6.6995 -3.6431 -3.6414 -1.2095 -1.2069 -0.9689 -0.9655 -0.3798 -0.3740 0.0258 0.0361 0.1643 0.1724 1.6054 1.6161 1.7342 1.7410 2.1417 2.1523 2.3011 2.3088 2.8304 2.8405 3.0779 3.0803 3.7460 3.7673 3.9263 3.9406 3.9925 4.0022 4.4792 4.4964 4.5438 4.5560 4.9046 4.9134 8.3866 8.3898 8.5466 8.5493 8.9239 8.9273 9.3580 9.3663 9.4680 9.4754 k = 0.1774 0.1024 0.4958 ( 5958 PWs) bands (ev): -8.9896 -8.9893 -8.9658 -8.9657 -7.5111 -7.5098 -7.3692 -7.3685 -7.1256 -7.1238 -6.7076 -6.7070 -3.6029 -3.6011 -1.2409 -1.2384 -0.9619 -0.9584 -0.3736 -0.3681 0.0605 0.0709 0.2209 0.2290 1.5545 1.5652 1.7099 1.7163 2.1396 2.1498 2.3315 2.3391 2.8059 2.8172 3.0784 3.0810 3.7207 3.7436 3.9323 3.9490 4.0058 4.0164 4.4963 4.5123 4.5617 4.5721 4.8904 4.8991 8.3617 8.3648 8.5581 8.5610 8.8846 8.8885 9.3545 9.3635 9.4838 9.4915 k = 0.1935 0.1117 0.4958 ( 5946 PWs) bands (ev): -8.9759 -8.9756 -8.9471 -8.9469 -7.5284 -7.5271 -7.4091 -7.4084 -7.1271 -7.1252 -6.7157 -6.7151 -3.5602 -3.5584 -1.2723 -1.2700 -0.9538 -0.9502 -0.3672 -0.3621 0.0968 0.1072 0.2790 0.2870 1.5022 1.5127 1.6855 1.6915 2.1344 2.1441 2.3624 2.3699 2.7845 2.7970 3.0788 3.0815 3.6921 3.7160 3.9385 3.9556 4.0256 4.0362 4.5117 4.5258 4.5763 4.5844 4.8774 4.8856 8.3363 8.3395 8.5720 8.5749 8.8419 8.8464 9.3518 9.3614 9.5004 9.5081 k = 0.2097 0.1211 0.4958 ( 5942 PWs) bands (ev): -8.9613 -8.9610 -8.9268 -8.9266 -7.5467 -7.5453 -7.4506 -7.4498 -7.1289 -7.1271 -6.7242 -6.7235 -3.5155 -3.5135 -1.3035 -1.3013 -0.9446 -0.9410 -0.3606 -0.3558 0.1342 0.1446 0.3376 0.3455 1.4492 1.4595 1.6611 1.6666 2.1256 2.1347 2.3937 2.4010 2.7673 2.7811 3.0789 3.0818 3.6615 3.6861 3.9441 3.9608 4.0497 4.0600 4.5246 4.5363 4.5875 4.5932 4.8665 4.8738 8.3104 8.3137 8.5878 8.5906 8.7974 8.8022 9.3499 9.3600 9.5173 9.5249 k = 0.2258 0.1304 0.4958 ( 5950 PWs) bands (ev): -8.9459 -8.9456 -8.9050 -8.9048 -7.5658 -7.5644 -7.4934 -7.4927 -7.1311 -7.1292 -6.7329 -6.7323 -3.4690 -3.4670 -1.3343 -1.3322 -0.9344 -0.9308 -0.3536 -0.3491 0.1724 0.1828 0.3957 0.4036 1.3963 1.4064 1.6369 1.6421 2.1130 2.1214 2.4249 2.4322 2.7552 2.7700 3.0786 3.0817 3.6298 3.6549 3.9491 3.9651 4.0756 4.0856 4.5343 4.5432 4.5939 4.5998 4.8588 4.8651 8.2837 8.2871 8.6047 8.6071 8.7527 8.7576 9.3485 9.3590 9.5340 9.5412 k = 0.2419 0.1397 0.4958 ( 5954 PWs) bands (ev): -8.9298 -8.9295 -8.8818 -8.8815 -7.5859 -7.5845 -7.5373 -7.5365 -7.1337 -7.1318 -6.7418 -6.7411 -3.4212 -3.4191 -1.3647 -1.3628 -0.9234 -0.9198 -0.3460 -0.3418 0.2110 0.2214 0.4522 0.4601 1.3447 1.3544 1.6134 1.6182 2.0964 2.1041 2.4560 2.4632 2.7486 2.7644 3.0781 3.0813 3.5976 3.6232 3.9534 3.9689 4.1015 4.1113 4.5401 4.5460 4.5953 4.6050 4.8553 4.8605 8.2557 8.2594 8.6211 8.6225 8.7107 8.7155 9.3473 9.3578 9.5498 9.5562 k = 0.2581 0.1490 0.4958 ( 5962 PWs) bands (ev): -8.9131 -8.9127 -8.8570 -8.8568 -7.6073 -7.6060 -7.5812 -7.5804 -7.1365 -7.1346 -6.7507 -6.7500 -3.3723 -3.3701 -1.3944 -1.3927 -0.9117 -0.9081 -0.3378 -0.3338 0.2495 0.2598 0.5058 0.5138 1.2956 1.3050 1.5908 1.5952 2.0759 2.0828 2.4866 2.4938 2.7477 2.7643 3.0772 3.0807 3.5653 3.5914 3.9572 3.9722 4.1260 4.1354 4.5411 4.5449 4.5938 4.6082 4.8562 4.8610 8.2257 8.2297 8.6276 8.6339 8.6770 8.6849 9.3451 9.3554 9.5637 9.5692 k = 0.2742 0.1583 0.4958 ( 5958 PWs) bands (ev): -8.8959 -8.8955 -8.8309 -8.8307 -7.6357 -7.6345 -7.6196 -7.6184 -7.1396 -7.1377 -6.7595 -6.7588 -3.3228 -3.3206 -1.4236 -1.4220 -0.8994 -0.8959 -0.3288 -0.3251 0.2874 0.2976 0.5549 0.5630 1.2505 1.2595 1.5697 1.5736 2.0518 2.0580 2.5166 2.5239 2.7522 2.7694 3.0761 3.0797 3.5335 3.5599 3.9601 3.9747 4.1477 4.1566 4.5364 4.5403 4.5915 4.6100 4.8617 4.8668 8.1930 8.1975 8.6108 8.6215 8.6709 8.6821 9.3401 9.3498 9.5732 9.5782 k = 0.2903 0.1676 0.4958 ( 5970 PWs) bands (ev): -8.8784 -8.8780 -8.8035 -8.8032 -7.6783 -7.6774 -7.6443 -7.6431 -7.1429 -7.1411 -6.7680 -6.7673 -3.2732 -3.2710 -1.4520 -1.4505 -0.8867 -0.8833 -0.3191 -0.3155 0.3240 0.3342 0.5976 0.6059 1.2113 1.2198 1.5506 1.5542 2.0247 2.0302 2.5458 2.5532 2.7616 2.7791 3.0746 3.0785 3.5024 3.5291 3.9622 3.9762 4.1656 4.1735 4.5266 4.5316 4.5906 4.6114 4.8716 4.8771 8.1572 8.1623 8.5854 8.5950 8.6834 8.6935 9.3296 9.3383 9.5693 9.5767 k = 0.3065 0.1769 0.4958 ( 5978 PWs) bands (ev): -8.8607 -8.8603 -8.7747 -8.7744 -7.7245 -7.7236 -7.6661 -7.6649 -7.1463 -7.1446 -6.7762 -6.7755 -3.2237 -3.2216 -1.4795 -1.4782 -0.8739 -0.8707 -0.3086 -0.3052 0.3585 0.3686 0.6323 0.6407 1.1798 1.1876 1.5342 1.5374 1.9950 1.9999 2.5739 2.5815 2.7752 2.7928 3.0729 3.0770 3.4724 3.4993 3.9631 3.9766 4.1787 4.1853 4.5128 4.5184 4.5925 4.6138 4.8851 4.8908 8.1184 8.1240 8.5637 8.5726 8.6972 8.7067 9.3103 9.3181 9.5476 9.5567 k = 0.3226 0.1862 0.4958 ( 5982 PWs) bands (ev): -8.8430 -8.8426 -8.7447 -8.7444 -7.7713 -7.7705 -7.6872 -7.6860 -7.1498 -7.1482 -6.7840 -6.7833 -3.1751 -3.1729 -1.5061 -1.5049 -0.8612 -0.8580 -0.2974 -0.2941 0.3897 0.3996 0.6579 0.6664 1.1574 1.1643 1.5214 1.5244 1.9635 1.9679 2.6010 2.6088 2.7920 2.8095 3.0710 3.0753 3.4439 3.4710 3.9627 3.9754 4.1867 4.1917 4.4957 4.5017 4.5981 4.6184 4.9012 4.9070 8.0771 8.0832 8.5487 8.5571 8.7095 8.7188 9.2811 9.2886 9.5244 9.5355 k = 0.3387 0.1956 0.4958 ( 5974 PWs) bands (ev): -8.8255 -8.8251 -8.7135 -8.7132 -7.8183 -7.8176 -7.7078 -7.7067 -7.1533 -7.1518 -6.7912 -6.7906 -3.1276 -3.1255 -1.5317 -1.5306 -0.8486 -0.8457 -0.2856 -0.2823 0.4162 0.4258 0.6749 0.6834 1.1440 1.1501 1.5131 1.5158 1.9309 1.9349 2.6268 2.6348 2.8112 2.8286 3.0688 3.0734 3.4172 3.4444 3.9610 3.9727 4.1897 4.1930 4.4761 4.4821 4.6074 4.6259 4.9189 4.9246 8.0345 8.0410 8.5405 8.5487 8.7196 8.7289 9.2440 9.2517 9.5071 9.5199 k = 0.3548 0.2049 0.4958 ( 5958 PWs) bands (ev): -8.8084 -8.8081 -8.6813 -8.6810 -7.8652 -7.8645 -7.7278 -7.7267 -7.1567 -7.1554 -6.7979 -6.7973 -3.0819 -3.0798 -1.5561 -1.5551 -0.8365 -0.8337 -0.2733 -0.2701 0.4360 0.4450 0.6859 0.6942 1.1381 1.1432 1.5099 1.5125 1.8979 1.9015 2.6511 2.6590 2.8320 2.8492 3.0665 3.0714 3.3927 3.4197 3.9579 3.9684 4.1881 4.1903 4.4547 4.4607 4.6198 4.6362 4.9374 4.9427 7.9921 7.9987 8.5388 8.5469 8.7273 8.7366 9.2030 9.2107 9.4940 9.5075 k = 0.3710 0.2142 0.4958 ( 5962 PWs) bands (ev): -8.7921 -8.7917 -8.6481 -8.6478 -7.9118 -7.9110 -7.7468 -7.7459 -7.1600 -7.1588 -6.8039 -6.8034 -3.0385 -3.0366 -1.5791 -1.5782 -0.8250 -0.8225 -0.2608 -0.2578 0.4475 0.4556 0.6950 0.7026 1.1369 1.1411 1.5123 1.5149 1.8652 1.8685 2.6734 2.6812 2.8538 2.8708 3.0639 3.0692 3.3706 3.3972 3.9537 3.9627 4.1829 4.1845 4.4324 4.4382 4.6344 4.6486 4.9557 4.9606 7.9509 7.9575 8.5427 8.5509 8.7324 8.7418 9.1611 9.1688 9.4825 9.4959 k = 0.3871 0.2235 0.4958 ( 5958 PWs) bands (ev): -8.7766 -8.7763 -8.6142 -8.6139 -7.9576 -7.9569 -7.7646 -7.7638 -7.1631 -7.1620 -6.8093 -6.8088 -2.9980 -2.9962 -1.6005 -1.5996 -0.8142 -0.8120 -0.2484 -0.2455 0.4501 0.4570 0.7055 0.7121 1.1375 1.1410 1.5200 1.5225 1.8335 1.8365 2.6933 2.7007 2.8762 2.8931 3.0611 3.0667 3.3510 3.3769 3.9488 3.9561 4.1752 4.1768 4.4099 4.4155 4.6504 4.6625 4.9732 4.9776 7.9124 7.9186 8.5515 8.5599 8.7351 8.7445 9.1203 9.1279 9.4712 9.4838 k = 0.4032 0.2328 0.4958 ( 5954 PWs) bands (ev): -8.7624 -8.7621 -8.5799 -8.5795 -8.0025 -8.0018 -7.7810 -7.7803 -7.1659 -7.1650 -6.8140 -6.8136 -2.9610 -2.9594 -1.6200 -1.6192 -0.8045 -0.8025 -0.2363 -0.2336 0.4449 0.4505 0.7185 0.7240 1.1381 1.1410 1.5320 1.5344 1.8036 1.8063 2.7103 2.7171 2.8989 2.9157 3.0580 3.0641 3.3339 3.3586 3.9435 3.9491 4.1660 4.1678 4.3883 4.3936 4.6666 4.6767 4.9894 4.9932 7.8774 7.8831 8.5644 8.5731 8.7352 8.7447 9.0821 9.0892 9.4598 9.4712 k = 0.4194 0.2421 0.4958 ( 5938 PWs) bands (ev): -8.7497 -8.7495 -8.5455 -8.5451 -8.0459 -8.0453 -7.7955 -7.7949 -7.1684 -7.1676 -6.8180 -6.8176 -2.9282 -2.9268 -1.6373 -1.6366 -0.7958 -0.7941 -0.2250 -0.2226 0.4346 0.4390 0.7332 0.7376 1.1380 1.1404 1.5465 1.5488 1.7762 1.7786 2.7242 2.7301 2.9218 2.9383 3.0545 3.0611 3.3193 3.3422 3.9385 3.9426 4.1562 4.1582 4.3684 4.3733 4.6821 4.6904 5.0037 5.0069 7.8467 7.8518 8.5805 8.5896 8.7329 8.7426 9.0473 9.0538 9.4487 9.4586 k = 0.4355 0.2514 0.4958 ( 5944 PWs) bands (ev): -8.7388 -8.7386 -8.5117 -8.5113 -8.0871 -8.0865 -7.8080 -7.8074 -7.1705 -7.1698 -6.8212 -6.8209 -2.9003 -2.8991 -1.6521 -1.6516 -0.7885 -0.7871 -0.2149 -0.2129 0.4222 0.4255 0.7479 0.7514 1.1373 1.1392 1.5618 1.5639 1.7522 1.7542 2.7349 2.7398 2.9443 2.9604 3.0504 3.0575 3.3071 3.3274 3.9342 3.9371 4.1463 4.1484 4.3513 4.3556 4.6961 4.7027 5.0158 5.0184 7.8210 7.8253 8.5991 8.6086 8.7280 8.7379 9.0167 9.0225 9.4386 9.4467 k = 0.4516 0.2607 0.4958 ( 5952 PWs) bands (ev): -8.7300 -8.7298 -8.4798 -8.4794 -8.1248 -8.1243 -7.8180 -7.8176 -7.1721 -7.1716 -6.8238 -6.8236 -2.8777 -2.8768 -1.6641 -1.6636 -0.7825 -0.7815 -0.2064 -0.2048 0.4101 0.4125 0.7610 0.7637 1.1363 1.1378 1.5759 1.5776 1.7324 1.7340 2.7426 2.7464 2.9659 2.9812 3.0454 3.0532 3.2976 3.3143 3.9309 3.9331 4.1373 4.1393 4.3375 4.3410 4.7079 4.7129 5.0255 5.0275 7.8008 7.8041 8.6192 8.6291 8.7203 8.7305 8.9915 8.9961 9.4301 9.4364 k = 0.4677 0.2701 0.4958 ( 5956 PWs) bands (ev): -8.7235 -8.7234 -8.4518 -8.4515 -8.1569 -8.1565 -7.8253 -7.8250 -7.1733 -7.1730 -6.8256 -6.8254 -2.8612 -2.8605 -1.6729 -1.6726 -0.7781 -0.7774 -0.1999 -0.1988 0.4003 0.4019 0.7713 0.7731 1.1355 1.1365 1.5872 1.5885 1.7176 1.7188 2.7478 2.7504 2.9858 2.9997 3.0392 3.0477 3.2912 3.3032 3.9289 3.9305 4.1300 4.1316 4.3277 4.3301 4.7170 4.7203 5.0326 5.0339 7.7863 7.7886 8.6399 8.6502 8.7097 8.7201 8.9726 8.9758 9.4239 9.4282 k = 0.4839 0.2794 0.4958 ( 5950 PWs) bands (ev): -8.7195 -8.7194 -8.4315 -8.4313 -8.1796 -8.1793 -7.8298 -7.8296 -7.1740 -7.1738 -6.8267 -6.8266 -2.8509 -2.8506 -1.6782 -1.6781 -0.7754 -0.7750 -0.1958 -0.1952 0.3941 0.3949 0.7781 0.7790 1.1350 1.1356 1.5947 1.5954 1.7086 1.7092 2.7510 2.7523 3.0029 3.0146 3.0318 3.0405 3.2884 3.2947 3.9280 3.9289 4.1253 4.1262 4.3220 4.3233 4.7230 4.7247 5.0370 5.0377 7.7778 7.7789 8.6603 8.6708 8.6960 8.7066 8.9610 8.9627 9.4204 9.4226 k = 0.5000 0.2887 0.4958 ( 5940 PWs) bands (ev): -8.7181 -8.7181 -8.4237 -8.4237 -8.1879 -8.1879 -7.8312 -7.8312 -7.1742 -7.1742 -6.8270 -6.8270 -2.8474 -2.8474 -1.6800 -1.6800 -0.7743 -0.7743 -0.1941 -0.1941 0.3923 0.3923 0.7806 0.7806 1.1351 1.1351 1.5975 1.5975 1.7057 1.7057 2.7524 2.7524 3.0160 3.0160 3.0320 3.0320 3.2896 3.2896 3.9281 3.9281 4.1240 4.1240 4.3205 4.3205 4.7256 4.7256 5.0387 5.0387 7.7753 7.7753 8.6791 8.6791 8.6901 8.6901 8.9577 8.9577 9.4200 9.4200 k = 0.5000 0.2887 0.4958 ( 5940 PWs) bands (ev): -8.7181 -8.7181 -8.4237 -8.4237 -8.1879 -8.1879 -7.8312 -7.8312 -7.1742 -7.1742 -6.8270 -6.8270 -2.8474 -2.8474 -1.6800 -1.6800 -0.7743 -0.7743 -0.1941 -0.1941 0.3923 0.3923 0.7806 0.7806 1.1351 1.1351 1.5975 1.5975 1.7057 1.7057 2.7524 2.7524 3.0160 3.0160 3.0320 3.0320 3.2896 3.2896 3.9281 3.9281 4.1240 4.1240 4.3205 4.3205 4.7256 4.7256 5.0387 5.0387 7.7753 7.7753 8.6791 8.6791 8.6901 8.6901 8.9577 8.9577 9.4200 9.4200 k = 0.4907 0.3047 0.4958 ( 5940 PWs) bands (ev): -8.7172 -8.7172 -8.4234 -8.4234 -8.1888 -8.1887 -7.8315 -7.8315 -7.1739 -7.1738 -6.8283 -6.8283 -2.8446 -2.8445 -1.6807 -1.6806 -0.7770 -0.7764 -0.1934 -0.1923 0.3908 0.3916 0.7755 0.7768 1.1383 1.1385 1.5989 1.5999 1.7079 1.7083 2.7494 2.7516 3.0147 3.0176 3.0280 3.0292 3.2946 3.2952 3.9281 3.9284 4.1226 4.1227 4.3201 4.3207 4.7267 4.7271 5.0371 5.0373 7.7758 7.7761 8.6724 8.6729 8.6821 8.6842 8.9632 8.9653 9.4212 9.4220 k = 0.4815 0.3208 0.4958 ( 5944 PWs) bands (ev): -8.7144 -8.7144 -8.4226 -8.4225 -8.1913 -8.1911 -7.8323 -7.8323 -7.1730 -7.1729 -6.8323 -6.8322 -2.8360 -2.8358 -1.6829 -1.6828 -0.7842 -0.7830 -0.1902 -0.1880 0.3873 0.3887 0.7622 0.7646 1.1475 1.1479 1.6041 1.6060 1.7147 1.7155 2.7427 2.7468 3.0081 3.0099 3.0264 3.0277 3.3093 3.3106 3.9284 3.9291 4.1187 4.1189 4.3195 4.3205 4.7305 4.7312 5.0326 5.0329 7.7775 7.7781 8.6528 8.6532 8.6631 8.6664 8.9803 8.9841 9.4257 9.4272 k = 0.4722 0.3368 0.4958 ( 5950 PWs) bands (ev): -8.7098 -8.7097 -8.4212 -8.4211 -8.1954 -8.1952 -7.8337 -7.8336 -7.1715 -7.1713 -6.8388 -6.8386 -2.8218 -2.8216 -1.6868 -1.6866 -0.7954 -0.7938 -0.1846 -0.1815 0.3817 0.3838 0.7422 0.7455 1.1616 1.1618 1.6129 1.6158 1.7260 1.7272 2.7330 2.7386 2.9907 2.9907 3.0306 3.0346 3.3315 3.3333 3.9290 3.9301 4.1125 4.1127 4.3185 4.3200 4.7368 4.7377 5.0252 5.0256 7.7804 7.7814 8.6221 8.6224 8.6363 8.6398 9.0052 9.0103 9.4329 9.4351 k = 0.4630 0.3528 0.4958 ( 5958 PWs) bands (ev): -8.7032 -8.7031 -8.4192 -8.4191 -8.2011 -8.2008 -7.8356 -7.8355 -7.1694 -7.1691 -6.8476 -6.8474 -2.8022 -2.8018 -1.6925 -1.6923 -0.8100 -0.8080 -0.1769 -0.1730 0.3740 0.3767 0.7172 0.7213 1.1788 1.1788 1.6252 1.6290 1.7414 1.7429 2.7210 2.7277 2.9667 2.9678 3.0382 3.0438 3.3591 3.3614 3.9299 3.9313 4.1040 4.1043 4.3170 4.3189 4.7451 4.7463 5.0152 5.0158 7.7848 7.7861 8.5839 8.5845 8.6022 8.6059 9.0348 9.0409 9.4423 9.4451 k = 0.4537 0.3689 0.4958 ( 5966 PWs) bands (ev): -8.6949 -8.6947 -8.4168 -8.4166 -8.2083 -8.2080 -7.8381 -7.8379 -7.1666 -7.1662 -6.8586 -6.8583 -2.7773 -2.7768 -1.7005 -1.7002 -0.8270 -0.8248 -0.1674 -0.1628 0.3643 0.3676 0.6889 0.6935 1.1974 1.1977 1.6408 1.6454 1.7604 1.7623 2.7073 2.7148 2.9400 2.9418 3.0476 3.0539 3.3904 3.3931 3.9311 3.9328 4.0937 4.0941 4.3150 4.3172 4.7551 4.7565 5.0030 5.0036 7.7905 7.7922 8.5414 8.5421 8.5623 8.5662 9.0671 9.0740 9.4532 9.4566 k = 0.4444 0.3849 0.4958 ( 5960 PWs) bands (ev): -8.6846 -8.6845 -8.4140 -8.4138 -8.2172 -8.2168 -7.8411 -7.8409 -7.1632 -7.1627 -6.8715 -6.8711 -2.7474 -2.7468 -1.7112 -1.7108 -0.8455 -0.8433 -0.1562 -0.1512 0.3526 0.3565 0.6588 0.6637 1.2167 1.2172 1.6593 1.6646 1.7825 1.7845 2.6927 2.7006 2.9116 2.9142 3.0577 3.0644 3.4243 3.4274 3.9326 3.9345 4.0818 4.0824 4.3121 4.3146 4.7663 4.7679 4.9889 4.9897 7.7977 7.7997 8.4962 8.4968 8.5182 8.5223 9.1012 9.1088 9.4649 9.4689 k = 0.4352 0.4009 0.4958 ( 5966 PWs) bands (ev): -8.6726 -8.6724 -8.4109 -8.4107 -8.2276 -8.2271 -7.8446 -7.8444 -7.1591 -7.1585 -6.8860 -6.8856 -2.7128 -2.7122 -1.7250 -1.7246 -0.8645 -0.8623 -0.1436 -0.1383 0.3390 0.3434 0.6278 0.6330 1.2358 1.2367 1.6804 1.6862 1.8068 1.8090 2.6778 2.6858 2.8824 2.8856 3.0680 3.0747 3.4603 3.4637 3.9342 3.9363 4.0687 4.0694 4.3082 4.3109 4.7784 4.7802 4.9735 4.9743 7.8065 7.8089 8.4495 8.4500 8.4715 8.4758 9.1364 9.1446 9.4768 9.4813 k = 0.4259 0.4170 0.4958 ( 5964 PWs) bands (ev): -8.6587 -8.6585 -8.4076 -8.4073 -8.2394 -8.2390 -7.8487 -7.8484 -7.1543 -7.1536 -6.9019 -6.9015 -2.6740 -2.6733 -1.7424 -1.7420 -0.8832 -0.8811 -0.1297 -0.1242 0.3235 0.3282 0.5971 0.6023 1.2544 1.2556 1.7036 1.7098 1.8326 1.8349 2.6631 2.6710 2.8528 2.8567 3.0779 3.0844 3.4977 3.5013 3.9359 3.9382 4.0545 4.0554 4.3031 4.3059 4.7909 4.7927 4.9573 4.9582 7.8171 7.8198 8.4022 8.4026 8.4237 8.4281 9.1724 9.1812 9.4883 9.4933 k = 0.4167 0.4330 0.4958 ( 5968 PWs) bands (ev): -8.6430 -8.6428 -8.4042 -8.4039 -8.2527 -8.2522 -7.8531 -7.8528 -7.1487 -7.1480 -6.9188 -6.9183 -2.6312 -2.6304 -1.7639 -1.7633 -0.9007 -0.8987 -0.1146 -0.1090 0.3060 0.3109 0.5674 0.5725 1.2722 1.2736 1.7284 1.7349 1.8589 1.8613 2.6492 2.6569 2.8232 2.8277 3.0871 3.0931 3.5361 3.5399 3.9376 3.9401 4.0396 4.0406 4.2966 4.2994 4.8033 4.8051 4.9410 4.9419 7.8295 7.8326 8.3551 8.3554 8.3759 8.3805 9.2091 9.2184 9.4989 9.5044 k = 0.4074 0.4491 0.4958 ( 5968 PWs) bands (ev): -8.6256 -8.6253 -8.4010 -8.4007 -8.2674 -8.2669 -7.8580 -7.8577 -7.1425 -7.1416 -6.9363 -6.9358 -2.5849 -2.5841 -1.7896 -1.7890 -0.9164 -0.9147 -0.0983 -0.0928 0.2867 0.2917 0.5395 0.5443 1.2889 1.2904 1.7544 1.7610 1.8847 1.8870 2.6366 2.6439 2.7940 2.7992 3.0953 3.1007 3.5753 3.5792 3.9392 3.9416 4.0240 4.0252 4.2886 4.2913 4.8152 4.8171 4.9253 4.9261 7.8440 7.8474 8.3089 8.3092 8.3292 8.3339 9.2462 9.2560 9.5081 9.5140 k = 0.3981 0.4651 0.4958 ( 5980 PWs) bands (ev): -8.6064 -8.6061 -8.3981 -8.3978 -8.2834 -8.2828 -7.8631 -7.8628 -7.1355 -7.1346 -6.9542 -6.9536 -2.5356 -2.5347 -1.8199 -1.8193 -0.9299 -0.9284 -0.0808 -0.0754 0.2654 0.2704 0.5139 0.5182 1.3045 1.3060 1.7811 1.7875 1.9090 1.9111 2.6257 2.6328 2.7657 2.7714 3.1022 3.1070 3.6149 3.6189 3.9401 3.9426 4.0079 4.0093 4.2791 4.2817 4.8264 4.8283 4.9106 4.9114 7.8606 7.8644 8.2643 8.2646 8.2843 8.2892 9.2837 9.2940 9.5155 9.5218 k = 0.3889 0.4811 0.4958 ( 5972 PWs) bands (ev): -8.5854 -8.5851 -8.3957 -8.3954 -8.3007 -8.3001 -7.8683 -7.8680 -7.1277 -7.1268 -6.9722 -6.9715 -2.4837 -2.4828 -1.8547 -1.8540 -0.9410 -0.9397 -0.0620 -0.0568 0.2425 0.2472 0.4911 0.4949 1.3186 1.3202 1.8079 1.8141 1.9305 1.9324 2.6171 2.6239 2.7385 2.7447 3.1079 3.1120 3.6548 3.6588 3.9401 3.9426 3.9915 3.9930 4.2686 4.2711 4.8365 4.8384 4.8977 4.8984 7.8795 7.8836 8.2218 8.2222 8.2418 8.2468 9.3214 9.3322 9.5210 9.5277 k = 0.3796 0.4972 0.4958 ( 5970 PWs) bands (ev): -8.5628 -8.5625 -8.3941 -8.3938 -8.3191 -8.3184 -7.8735 -7.8732 -7.1192 -7.1182 -6.9898 -6.9890 -2.4297 -2.4287 -1.8940 -1.8932 -0.9496 -0.9486 -0.0418 -0.0369 0.2179 0.2224 0.4715 0.4746 1.3313 1.3327 1.8344 1.8402 1.9481 1.9497 2.6111 2.6177 2.7130 2.7197 3.1123 3.1156 3.6945 3.6985 3.9384 3.9409 3.9748 3.9764 4.2576 4.2598 4.8452 4.8472 4.8869 4.8874 7.9009 7.9053 8.1821 8.1825 8.2023 8.2074 9.3590 9.3702 9.5243 9.5313 k = 0.3704 0.5132 0.4958 ( 5958 PWs) bands (ev): -8.5386 -8.5382 -8.3937 -8.3933 -8.3386 -8.3379 -7.8784 -7.8781 -7.1100 -7.1090 -7.0069 -7.0061 -2.3741 -2.3730 -1.9374 -1.9365 -0.9559 -0.9552 -0.0202 -0.0156 0.1920 0.1961 0.4552 0.4577 1.3423 1.3435 1.8601 1.8653 1.9608 1.9619 2.6083 2.6146 2.6896 2.6968 3.1155 3.1181 3.7339 3.7378 3.9341 3.9368 3.9581 3.9596 4.2470 4.2489 4.8523 4.8542 4.8786 4.8790 7.9247 7.9295 8.1456 8.1461 8.1661 8.1712 9.3961 9.4078 9.5256 9.5328 k = 0.3611 0.5292 0.4958 ( 5954 PWs) bands (ev): -8.5129 -8.5125 -8.3946 -8.3942 -8.3589 -8.3582 -7.8827 -7.8825 -7.1000 -7.0990 -7.0232 -7.0223 -2.3173 -2.3161 -1.9846 -1.9836 -0.9602 -0.9597 0.0028 0.0072 0.1651 0.1689 0.4425 0.4443 1.3513 1.3523 1.8845 1.8890 1.9676 1.9681 2.6085 2.6146 2.6687 2.6764 3.1177 3.1197 3.7728 3.7766 3.9260 3.9292 3.9421 3.9431 4.2377 4.2393 4.8572 4.8592 4.8731 4.8734 7.9511 7.9561 8.1129 8.1135 8.1334 8.1386 9.4323 9.4444 9.5249 9.5323 k = 0.3519 0.5453 0.4958 ( 5954 PWs) bands (ev): -8.4860 -8.4856 -8.3972 -8.3969 -8.3797 -8.3790 -7.8861 -7.8860 -7.0893 -7.0882 -7.0386 -7.0376 -2.2598 -2.2586 -2.0352 -2.0341 -0.9628 -0.9625 0.0272 0.0314 0.1375 0.1409 0.4334 0.4346 1.3582 1.3589 1.9073 1.9108 1.9678 1.9679 2.6118 2.6176 2.6509 2.6592 3.1192 3.1205 3.8108 3.8145 3.9131 3.9169 3.9274 3.9277 4.2307 4.2318 4.8596 4.8617 4.8707 4.8708 7.9800 7.9852 8.0843 8.0850 8.1046 8.1098 9.4662 9.4785 9.5225 9.5300 k = 0.3426 0.5613 0.4958 ( 5950 PWs) bands (ev): -8.4590 -8.4586 -8.4018 -8.4015 -8.3998 -8.3991 -7.8884 -7.8883 -7.0780 -7.0768 -7.0528 -7.0518 -2.2022 -2.2009 -2.0887 -2.0876 -0.9641 -0.9640 0.0529 0.0570 0.1099 0.1128 0.4280 0.4285 1.3626 1.3630 1.9281 1.9305 1.9607 1.9615 2.6177 2.6224 2.6365 2.6461 3.1201 3.1207 3.8474 3.8511 3.8965 3.9007 3.9130 3.9132 4.2265 4.2271 4.8601 4.8622 4.8705 4.8705 8.0111 8.0160 8.0602 8.0611 8.0806 8.0853 9.4945 9.5069 9.5194 9.5262 k = 0.3333 0.5774 0.4958 ( 5970 PWs) bands (ev): -8.4421 -8.4421 -8.4089 -8.4085 -8.4084 -8.4083 -7.8892 -7.8892 -7.0667 -7.0651 -7.0651 -7.0644 -2.1461 -2.1436 -2.1435 -2.1434 -0.9644 -0.9644 0.0746 0.0811 0.0877 0.0877 0.4263 0.4263 1.3643 1.3643 1.9463 1.9463 1.9472 1.9498 2.6256 2.6258 2.6258 2.6402 3.1206 3.1206 3.8772 3.8773 3.8833 3.8833 3.9016 3.9026 4.2254 4.2254 4.8602 4.8623 4.8706 4.8706 8.0393 8.0393 8.0431 8.0438 8.0685 8.0686 9.5065 9.5196 9.5196 9.5228 k = 0.3333 0.5774 0.4958 ( 5970 PWs) bands (ev): -8.4421 -8.4421 -8.4089 -8.4085 -8.4084 -8.4083 -7.8892 -7.8892 -7.0667 -7.0651 -7.0651 -7.0644 -2.1461 -2.1436 -2.1435 -2.1434 -0.9644 -0.9644 0.0746 0.0811 0.0877 0.0877 0.4263 0.4263 1.3643 1.3643 1.9463 1.9463 1.9472 1.9498 2.6256 2.6258 2.6258 2.6402 3.1206 3.1206 3.8772 3.8773 3.8833 3.8833 3.9016 3.9026 4.2254 4.2254 4.8602 4.8623 4.8706 4.8706 8.0393 8.0393 8.0431 8.0438 8.0685 8.0686 9.5065 9.5196 9.5196 9.5228 k = 0.3241 0.5613 0.4958 ( 5958 PWs) bands (ev): -8.4560 -8.4555 -8.4180 -8.4178 -8.3864 -8.3861 -7.8883 -7.8882 -7.0777 -7.0765 -7.0532 -7.0521 -2.2029 -2.2015 -2.0881 -2.0869 -0.9642 -0.9641 0.0526 0.0563 0.1107 0.1131 0.4281 0.4285 1.3625 1.3629 1.9263 1.9281 1.9632 1.9634 2.6188 2.6234 2.6350 2.6450 3.1201 3.1207 3.8589 3.8633 3.8745 3.8764 3.9242 3.9254 4.2263 4.2270 4.8598 4.8617 4.8707 4.8709 8.0261 8.0277 8.0359 8.0417 8.0882 8.0949 9.5007 9.5110 9.5154 9.5169 k = 0.3148 0.5453 0.4958 ( 5958 PWs) bands (ev): -8.4786 -8.4780 -8.4298 -8.4296 -8.3545 -8.3541 -7.8856 -7.8854 -7.0881 -7.0868 -7.0399 -7.0388 -2.2628 -2.2613 -2.0325 -2.0313 -0.9636 -0.9634 0.0256 0.0290 0.1404 0.1427 0.4338 0.4346 1.3574 1.3582 1.9001 1.9023 1.9764 1.9777 2.6156 2.6214 2.6448 2.6537 3.1190 3.1203 3.8395 3.8441 3.8582 3.8596 3.9570 3.9582 4.2296 4.2310 4.8573 4.8587 4.8720 4.8727 8.0164 8.0190 8.0248 8.0301 8.1264 8.1336 9.4824 9.4858 9.5038 9.5096 k = 0.3056 0.5292 0.4958 ( 5954 PWs) bands (ev): -8.5029 -8.5022 -8.4442 -8.4440 -8.3200 -8.3195 -7.8808 -7.8805 -7.0973 -7.0959 -7.0261 -7.0250 -2.3241 -2.3225 -1.9784 -1.9771 -0.9628 -0.9626 -0.0011 0.0022 0.1712 0.1734 0.4435 0.4447 1.3486 1.3498 1.8686 1.8712 1.9879 1.9904 2.6158 2.6221 2.6545 2.6628 3.1170 3.1190 3.8202 3.8249 3.8420 3.8434 3.9894 3.9904 4.2346 4.2369 4.8521 4.8529 4.8748 4.8759 8.0107 8.0155 8.0184 8.0218 8.1684 8.1758 9.4500 9.4508 9.4956 9.5031 k = 0.2963 0.5132 0.4958 ( 5954 PWs) bands (ev): -8.5278 -8.5272 -8.4610 -8.4609 -8.2837 -8.2832 -7.8740 -7.8736 -7.1051 -7.1037 -7.0118 -7.0107 -2.3864 -2.3848 -1.9261 -1.9248 -0.9621 -0.9618 -0.0271 -0.0238 0.2027 0.2047 0.4573 0.4588 1.3362 1.3377 1.8326 1.8355 1.9981 2.0019 2.6190 2.6256 2.6635 2.6713 3.1137 3.1164 3.8010 3.8060 3.8278 3.8295 4.0207 4.0212 4.2408 4.2442 4.8444 4.8446 4.8785 4.8798 8.0076 8.0158 8.0188 8.0191 8.2132 8.2207 9.4103 9.4104 9.4887 9.4969 k = 0.2870 0.4972 0.4958 ( 5954 PWs) bands (ev): -8.5532 -8.5525 -8.4801 -8.4800 -8.2460 -8.2454 -7.8652 -7.8647 -7.1118 -7.1103 -6.9971 -6.9959 -2.4496 -2.4478 -1.8758 -1.8746 -0.9615 -0.9612 -0.0523 -0.0489 0.2344 0.2363 0.4751 0.4768 1.3200 1.3218 1.7930 1.7960 2.0076 2.0126 2.6244 2.6314 2.6714 2.6786 3.1087 3.1121 3.7823 3.7877 3.8168 3.8191 4.0506 4.0507 4.2481 4.2527 4.8342 4.8344 4.8824 4.8838 8.0076 8.0160 8.0256 8.0260 8.2606 8.2683 9.3663 9.3664 9.4827 9.4912 k = 0.2778 0.4811 0.4958 ( 5946 PWs) bands (ev): -8.5788 -8.5781 -8.5012 -8.5012 -8.2069 -8.2064 -7.8545 -7.8539 -7.1173 -7.1157 -6.9819 -6.9808 -2.5133 -2.5114 -1.8278 -1.8266 -0.9611 -0.9608 -0.0766 -0.0731 0.2658 0.2677 0.4967 0.4986 1.3002 1.3023 1.7508 1.7538 2.0169 2.0230 2.6313 2.6387 2.6779 2.6844 3.1018 3.1058 3.7643 3.7704 3.8096 3.8129 4.0783 4.0791 4.2562 4.2622 4.8217 4.8223 4.8861 4.8874 8.0114 8.0196 8.0381 8.0389 8.3104 8.3182 9.3194 9.3195 9.4775 9.4863 k = 0.2685 0.4651 0.4958 ( 5942 PWs) bands (ev): -8.6045 -8.6038 -8.5241 -8.5241 -8.1667 -8.1661 -7.8421 -7.8414 -7.1217 -7.1201 -6.9664 -6.9653 -2.5772 -2.5753 -1.7822 -1.7811 -0.9610 -0.9608 -0.1001 -0.0964 0.2964 0.2982 0.5217 0.5238 1.2772 1.2796 1.7071 1.7099 2.0265 2.0335 2.6391 2.6469 2.6825 2.6884 3.0929 3.0975 3.7475 3.7542 3.8065 3.8109 4.1042 4.1058 4.2652 4.2726 4.8073 4.8084 4.8892 4.8903 8.0190 8.0271 8.0559 8.0571 8.3627 8.3707 9.2703 9.2707 9.4734 9.4823 k = 0.2593 0.4491 0.4958 ( 5948 PWs) bands (ev): -8.6302 -8.6295 -8.5485 -8.5485 -8.1253 -8.1247 -7.8281 -7.8274 -7.1252 -7.1236 -6.9507 -6.9495 -2.6413 -2.6393 -1.7391 -1.7380 -0.9612 -0.9610 -0.1225 -0.1187 0.3253 0.3272 0.5496 0.5518 1.2515 1.2542 1.6628 1.6654 2.0366 2.0444 2.6470 2.6551 2.6851 2.6903 3.0824 3.0876 3.7322 3.7397 3.8071 3.8129 4.1281 4.1305 4.2753 4.2843 4.7913 4.7929 4.8913 4.8922 8.0304 8.0382 8.0788 8.0802 8.4175 8.4255 9.2197 9.2206 9.4704 9.4796 k = 0.2500 0.4330 0.4958 ( 5938 PWs) bands (ev): -8.6557 -8.6552 -8.5741 -8.5741 -8.0829 -8.0823 -7.8127 -7.8119 -7.1279 -7.1261 -6.9347 -6.9335 -2.7054 -2.7033 -1.6984 -1.6974 -0.9617 -0.9616 -0.1440 -0.1400 0.3518 0.3538 0.5796 0.5818 1.2241 1.2270 1.6194 1.6216 2.0474 2.0559 2.6544 2.6627 2.6852 2.6899 3.0710 3.0766 3.7189 3.7271 3.8108 3.8180 4.1497 4.1530 4.2867 4.2973 4.7739 4.7762 4.8922 4.8929 8.0451 8.0527 8.1064 8.1081 8.4748 8.4828 9.1683 9.1696 9.4690 9.4782 k = 0.2407 0.4170 0.4958 ( 5942 PWs) bands (ev): -8.6811 -8.6806 -8.6007 -8.6006 -8.0396 -8.0390 -7.7962 -7.7953 -7.1298 -7.1280 -6.9186 -6.9174 -2.7692 -2.7670 -1.6600 -1.6591 -0.9625 -0.9625 -0.1645 -0.1603 0.3748 0.3771 0.6103 0.6126 1.1963 1.1995 1.5782 1.5798 2.0589 2.0681 2.6610 2.6687 2.6824 2.6874 3.0595 3.0655 3.7079 3.7169 3.8166 3.8252 4.1686 4.1730 4.2997 4.3119 4.7556 4.7585 4.8917 4.8922 8.0628 8.0701 8.1384 8.1403 8.5346 8.5425 9.1166 9.1185 9.4694 9.4786 k = 0.2315 0.4009 0.4958 ( 5942 PWs) bands (ev): -8.7063 -8.7057 -8.6278 -8.6277 -7.9955 -7.9948 -7.7786 -7.7776 -7.1310 -7.1291 -6.9024 -6.9013 -2.8327 -2.8304 -1.6239 -1.6232 -0.9637 -0.9635 -0.1840 -0.1796 0.3934 0.3960 0.6399 0.6421 1.1700 1.1734 1.5406 1.5416 2.0712 2.0809 2.6664 2.6701 2.6762 2.6849 3.0488 3.0551 3.6995 3.7091 3.8236 3.8336 4.1844 4.1898 4.3146 4.3282 4.7368 4.7405 4.8899 4.8901 8.0830 8.0900 8.1742 8.1764 8.5968 8.6047 9.0653 9.0677 9.4719 9.4810 k = 0.2222 0.3849 0.4958 ( 5942 PWs) bands (ev): -8.7310 -8.7305 -8.6554 -8.6553 -7.9506 -7.9500 -7.7602 -7.7591 -7.1316 -7.1297 -6.8862 -6.8851 -2.8956 -2.8933 -1.5899 -1.5892 -0.9650 -0.9647 -0.2025 -0.1980 0.4064 0.4093 0.6656 0.6676 1.1478 1.1517 1.5080 1.5083 2.0840 2.0942 2.6631 2.6662 2.6708 2.6859 3.0399 3.0463 3.6939 3.7041 3.8309 3.8421 4.1965 4.2031 4.3316 4.3465 4.7182 4.7226 4.8867 4.8868 8.1051 8.1116 8.2135 8.2159 8.6614 8.6692 9.0150 9.0179 9.4770 9.4859 k = 0.2130 0.3689 0.4958 ( 5946 PWs) bands (ev): -8.7553 -8.7548 -8.6831 -8.6830 -7.9052 -7.9045 -7.7411 -7.7400 -7.1318 -7.1298 -6.8701 -6.8690 -2.9579 -2.9556 -1.5576 -1.5571 -0.9665 -0.9661 -0.2200 -0.2153 0.4129 0.4162 0.6837 0.6855 1.1333 1.1377 1.4813 1.4818 2.0972 2.1078 2.6496 2.6524 2.6739 2.6885 3.0334 3.0397 3.6911 3.7017 3.8378 3.8500 4.2045 4.2121 4.3507 4.3664 4.7003 4.7055 4.8821 4.8824 8.1286 8.1346 8.2556 8.2583 8.7280 8.7357 8.9662 8.9696 9.4852 9.4938 k = 0.2037 0.3528 0.4958 ( 5952 PWs) bands (ev): -8.7791 -8.7786 -8.7107 -8.7106 -7.8593 -7.8586 -7.7215 -7.7203 -7.1316 -7.1296 -6.8541 -6.8531 -3.0194 -3.0171 -1.5269 -1.5266 -0.9681 -0.9675 -0.2366 -0.2317 0.4121 0.4158 0.6905 0.6919 1.1303 1.1353 1.4618 1.4631 2.1104 2.1215 2.6319 2.6348 2.6763 2.6908 3.0295 3.0356 3.6911 3.7020 3.8440 3.8567 4.2077 4.2163 4.3717 4.3879 4.6840 4.6898 4.8767 4.8770 8.1529 8.1583 8.2998 8.3027 8.7961 8.8037 8.9197 8.9235 9.4973 9.5053 k = 0.1944 0.3368 0.4958 ( 5952 PWs) bands (ev): -8.8023 -8.8018 -8.7381 -8.7380 -7.8130 -7.8123 -7.7015 -7.7003 -7.1310 -7.1290 -6.8383 -6.8374 -3.0800 -3.0777 -1.4975 -1.4973 -0.9698 -0.9691 -0.2523 -0.2472 0.4036 0.4078 0.6832 0.6843 1.1412 1.1468 1.4502 1.4524 2.1235 2.1349 2.6105 2.6137 2.6784 2.6929 3.0282 3.0341 3.6937 3.7048 3.8491 3.8621 4.2057 4.2151 4.3941 4.4102 4.6696 4.6760 4.8707 4.8709 8.1776 8.1823 8.3453 8.3484 8.8635 8.8712 8.8774 8.8815 9.5142 9.5215 k = 0.1852 0.3208 0.4958 ( 5960 PWs) bands (ev): -8.8248 -8.8244 -8.7651 -8.7650 -7.7665 -7.7658 -7.6813 -7.6800 -7.1303 -7.1283 -6.8229 -6.8219 -3.1395 -3.1372 -1.4692 -1.4691 -0.9715 -0.9706 -0.2671 -0.2618 0.3876 0.3921 0.6622 0.6629 1.1656 1.1716 1.4469 1.4499 2.1359 2.1478 2.5861 2.5896 2.6807 2.6952 3.0293 3.0347 3.6987 3.7098 3.8533 3.8663 4.1984 4.2084 4.4171 4.4328 4.6574 4.6641 4.8647 4.8647 8.2022 8.2061 8.3910 8.3943 8.8362 8.8409 8.9332 8.9408 9.5371 9.5434 k = 0.1759 0.3047 0.4958 ( 5956 PWs) bands (ev): -8.8467 -8.8462 -8.7915 -8.7914 -7.7200 -7.7192 -7.6610 -7.6597 -7.1294 -7.1273 -6.8078 -6.8069 -3.1979 -3.1956 -1.4417 -1.4415 -0.9732 -0.9722 -0.2809 -0.2755 0.3646 0.3695 0.6297 0.6302 1.2008 1.2073 1.4515 1.4551 2.1475 2.1597 2.5594 2.5632 2.6839 2.6984 3.0322 3.0371 3.7057 3.7167 3.8567 3.8693 4.1859 4.1962 4.4399 4.4546 4.6474 4.6542 4.8587 4.8593 8.2264 8.2295 8.4354 8.4387 8.8021 8.8070 8.9989 9.0067 9.5674 9.5724 k = 0.1667 0.2887 0.4958 ( 5946 PWs) bands (ev): -8.8677 -8.8673 -8.8172 -8.8171 -7.6736 -7.6728 -7.6407 -7.6394 -7.1284 -7.1263 -6.7932 -6.7923 -3.2549 -3.2526 -1.4147 -1.4144 -0.9749 -0.9737 -0.2940 -0.2883 0.3358 0.3409 0.5887 0.5891 1.2438 1.2506 1.4631 1.4674 2.1576 2.1703 2.5309 2.5349 2.6888 2.7030 3.0364 3.0409 3.7145 3.7252 3.8597 3.8717 4.1688 4.1791 4.4614 4.4745 4.6392 4.6458 4.8538 4.8551 8.2500 8.2523 8.4762 8.4794 8.7755 8.7804 9.0603 9.0684 9.6064 9.6098 k = 0.1574 0.2726 0.4958 ( 5946 PWs) bands (ev): -8.8879 -8.8875 -8.8420 -8.8419 -7.6274 -7.6267 -7.6205 -7.6192 -7.1273 -7.1253 -6.7791 -6.7783 -3.3105 -3.3082 -1.3881 -1.3876 -0.9765 -0.9751 -0.3062 -0.3004 0.3022 0.3075 0.5418 0.5420 1.2917 1.2989 1.4808 1.4856 2.1661 2.1792 2.5012 2.5054 2.6959 2.7098 3.0415 3.0456 3.7246 3.7349 3.8627 3.8738 4.1478 4.1578 4.4803 4.4915 4.6322 4.6384 4.8506 4.8530 8.2729 8.2743 8.5099 8.5127 8.7597 8.7643 9.1155 9.1240 9.6548 9.6557 k = 0.1481 0.2566 0.4958 ( 5946 PWs) bands (ev): -8.9072 -8.9068 -8.8660 -8.8659 -7.6007 -7.5993 -7.5818 -7.5810 -7.1263 -7.1242 -6.7657 -6.7649 -3.3645 -3.3623 -1.3615 -1.3609 -0.9780 -0.9765 -0.3177 -0.3117 0.2652 0.2706 0.4908 0.4909 1.3426 1.3500 1.5034 1.5087 2.1725 2.1860 2.4707 2.4751 2.7059 2.7193 3.0470 3.0506 3.7356 3.7454 3.8661 3.8762 4.1238 4.1333 4.4955 4.5044 4.6254 4.6310 4.8498 4.8536 8.2950 8.2957 8.5325 8.5343 8.7588 8.7624 9.1635 9.1724 9.6715 9.6765 k = 0.1389 0.2406 0.4958 ( 5942 PWs) bands (ev): -8.9256 -8.9252 -8.8888 -8.8888 -7.5813 -7.5799 -7.5368 -7.5360 -7.1253 -7.1233 -6.7529 -6.7521 -3.4166 -3.4145 -1.3348 -1.3340 -0.9795 -0.9778 -0.3285 -0.3223 0.2260 0.2314 0.4372 0.4372 1.3947 1.4025 1.5298 1.5355 2.1768 2.1906 2.4397 2.4444 2.7190 2.7319 3.0525 3.0557 3.7471 3.7565 3.8704 3.8792 4.0979 4.1066 4.5060 4.5124 4.6181 4.6229 4.8522 4.8573 8.3164 8.3165 8.5423 8.5426 8.7738 8.7761 9.2040 9.2130 9.6387 9.6431 k = 0.1296 0.2245 0.4958 ( 5946 PWs) bands (ev): -8.9430 -8.9426 -8.9106 -8.9105 -7.5623 -7.5609 -7.4928 -7.4920 -7.1244 -7.1224 -6.7408 -6.7401 -3.4669 -3.4648 -1.3079 -1.3069 -0.9808 -0.9790 -0.3386 -0.3322 0.1857 0.1910 0.3818 0.3821 1.4471 1.4552 1.5591 1.5651 2.1788 2.1929 2.4088 2.4136 2.7355 2.7477 3.0577 3.0606 3.7588 3.7676 3.8757 3.8832 4.0712 4.0791 4.5112 4.5151 4.6096 4.6135 4.8578 4.8643 8.3366 8.3374 8.5411 8.5420 8.8011 8.8021 9.2378 9.2467 9.6059 9.6105 k = 0.1204 0.2085 0.4958 ( 5940 PWs) bands (ev): -8.9593 -8.9590 -8.9312 -8.9311 -7.5439 -7.5425 -7.4498 -7.4491 -7.1237 -7.1217 -6.7296 -6.7289 -3.5149 -3.5130 -1.2807 -1.2795 -0.9820 -0.9802 -0.3481 -0.3416 0.1453 0.1505 0.3257 0.3262 1.4989 1.5071 1.5902 1.5965 2.1786 2.1929 2.3780 2.3831 2.7552 2.7667 3.0623 3.0649 3.7701 3.7784 3.8825 3.8885 4.0450 4.0517 4.5111 4.5126 4.5991 4.6022 4.8666 4.8743 8.3563 8.3577 8.5348 8.5366 8.8348 8.8351 9.2658 9.2745 9.5745 9.5792 k = 0.1111 0.1925 0.4958 ( 5944 PWs) bands (ev): -8.9746 -8.9744 -8.9504 -8.9503 -7.5263 -7.5249 -7.4083 -7.4076 -7.1231 -7.1212 -6.7192 -6.7186 -3.5607 -3.5588 -1.2531 -1.2518 -0.9831 -0.9812 -0.3572 -0.3505 0.1055 0.1105 0.2695 0.2702 1.5493 1.5577 1.6225 1.6290 2.1763 2.1907 2.3477 2.3530 2.7778 2.7887 3.0662 3.0685 3.7805 3.7882 3.8908 3.8953 4.0206 4.0259 4.5055 4.5060 4.5863 4.5884 4.8781 4.8865 8.3757 8.3777 8.5276 8.5298 8.8705 8.8707 9.2893 9.2975 9.5450 9.5497 k = 0.1019 0.1764 0.4958 ( 5944 PWs) bands (ev): -8.9889 -8.9886 -8.9684 -8.9683 -7.5095 -7.5081 -7.3684 -7.3677 -7.1226 -7.1208 -6.7098 -6.7092 -3.6039 -3.6022 -1.2252 -1.2237 -0.9842 -0.9822 -0.3658 -0.3590 0.0671 0.0719 0.2140 0.2149 1.5978 1.6064 1.6553 1.6620 2.1722 2.1866 2.3180 2.3236 2.8029 2.8130 3.0693 3.0714 3.7890 3.7964 3.9007 3.9034 3.9995 4.0031 4.4944 4.4967 4.5708 4.5720 4.8913 4.9001 8.3949 8.3973 8.5213 8.5238 8.9056 8.9062 9.3091 9.3168 9.5177 9.5225 k = 0.0926 0.1604 0.4958 ( 5946 PWs) bands (ev): -9.0019 -9.0017 -8.9849 -8.9848 -7.4936 -7.4923 -7.3305 -7.3298 -7.1223 -7.1206 -6.7013 -6.7008 -3.6444 -3.6427 -1.1969 -1.1953 -0.9851 -0.9832 -0.3742 -0.3672 0.0306 0.0351 0.1597 0.1609 1.6441 1.6527 1.6882 1.6950 2.1666 2.1808 2.2892 2.2949 2.8298 2.8391 3.0715 3.0734 3.7946 3.8020 3.9119 3.9129 3.9836 3.9850 4.4802 4.4837 4.5524 4.5528 4.9054 4.9143 8.4138 8.4166 8.5170 8.5196 8.9388 8.9395 9.3261 9.3332 9.4931 9.4978 k = 0.0833 0.1443 0.4958 ( 5934 PWs) bands (ev): -9.0138 -9.0136 -9.0000 -8.9999 -7.4788 -7.4775 -7.2947 -7.2941 -7.1222 -7.1205 -6.6937 -6.6933 -3.6819 -3.6804 -1.1686 -1.1668 -0.9860 -0.9841 -0.3823 -0.3753 -0.0035 0.0007 0.1073 0.1088 1.6877 1.6963 1.7206 1.7274 2.1597 2.1736 2.2613 2.2673 2.8577 2.8661 3.0730 3.0747 3.7964 3.8037 3.9233 3.9241 3.9738 3.9746 4.4637 4.4681 4.5310 4.5313 4.9198 4.9284 8.4325 8.4354 8.5149 8.5176 8.9689 8.9697 9.3407 9.3471 9.4714 9.4759 k = 0.0741 0.1283 0.4958 ( 5940 PWs) bands (ev): -9.0246 -9.0244 -9.0136 -9.0136 -7.4651 -7.4640 -7.2615 -7.2609 -7.1222 -7.1207 -6.6872 -6.6868 -3.7162 -3.7148 -1.1403 -1.1384 -0.9867 -0.9849 -0.3904 -0.3833 -0.0348 -0.0310 0.0577 0.0594 1.7286 1.7368 1.7523 1.7589 2.1518 2.1653 2.2345 2.2406 2.8857 2.8933 3.0738 3.0753 3.7939 3.8011 3.9344 3.9367 3.9708 3.9736 4.4455 4.4505 4.5067 4.5077 4.9337 4.9418 8.4507 8.4538 8.5150 8.5176 8.9952 8.9961 9.3533 9.3589 9.4528 9.4570 k = 0.0648 0.1123 0.4958 ( 5936 PWs) bands (ev): -9.0341 -9.0339 -9.0257 -9.0257 -7.4527 -7.4516 -7.2312 -7.2306 -7.1223 -7.1209 -6.6816 -6.6813 -3.7472 -3.7459 -1.1125 -1.1105 -0.9874 -0.9857 -0.3985 -0.3915 -0.0631 -0.0596 0.0114 0.0134 1.7663 1.7738 1.7833 1.7891 2.1431 2.1560 2.2090 2.2151 2.9129 2.9196 3.0740 3.0754 3.7879 3.7947 3.9461 3.9489 3.9762 3.9797 4.4264 4.4316 4.4806 4.4821 4.9467 4.9541 8.4683 8.4713 8.5170 8.5194 9.0172 9.0182 9.3642 9.3689 9.4375 9.4412 k = 0.0556 0.0962 0.4958 ( 5948 PWs) bands (ev): -9.0424 -9.0422 -9.0363 -9.0362 -7.4417 -7.4407 -7.2040 -7.2035 -7.1225 -7.1213 -6.6770 -6.6767 -3.7745 -3.7734 -1.0856 -1.0836 -0.9880 -0.9865 -0.4066 -0.3998 -0.0880 -0.0851 -0.0305 -0.0284 1.8007 1.8064 1.8136 1.8177 2.1338 2.1459 2.1850 2.1910 2.9385 2.9442 3.0738 3.0750 3.7799 3.7861 3.9591 3.9613 3.9876 3.9908 4.4068 4.4120 4.4531 4.4550 4.9585 4.9651 8.4849 8.4878 8.5204 8.5227 9.0350 9.0359 9.3733 9.3773 9.4255 9.4286 k = 0.0463 0.0802 0.4958 ( 5952 PWs) bands (ev): -9.0494 -9.0493 -9.0452 -9.0452 -7.4321 -7.4312 -7.1803 -7.1799 -7.1228 -7.1217 -6.6732 -6.6730 -3.7980 -3.7970 -1.0603 -1.0584 -0.9885 -0.9872 -0.4147 -0.4083 -0.1096 -0.1072 -0.0671 -0.0651 1.8316 1.8347 1.8427 1.8443 2.1244 2.1353 2.1627 2.1683 2.9616 2.9664 3.0734 3.0744 3.7716 3.7769 3.9732 3.9746 4.0021 4.0044 4.3877 4.3925 4.4253 4.4274 4.9688 4.9745 8.5001 8.5029 8.5248 8.5268 9.0485 9.0494 9.3809 9.3840 9.4166 9.4192 k = 0.0370 0.0642 0.4958 ( 5952 PWs) bands (ev): -9.0552 -9.0551 -9.0526 -9.0525 -7.4241 -7.4234 -7.1604 -7.1600 -7.1230 -7.1222 -6.6703 -6.6701 -3.8174 -3.8167 -1.0374 -1.0356 -0.9888 -0.9878 -0.4226 -0.4169 -0.1277 -0.1260 -0.0975 -0.0958 1.8586 1.8595 1.8685 1.8688 2.1152 2.1243 2.1428 2.1476 2.9815 2.9853 3.0728 3.0737 3.7640 3.7684 3.9880 3.9887 4.0173 4.0188 4.3698 4.3740 4.3985 4.4004 4.9775 4.9821 8.5136 8.5160 8.5296 8.5312 9.0583 9.0591 9.3869 9.3891 9.4107 9.4126 k = 0.0278 0.0481 0.4958 ( 5936 PWs) bands (ev): -9.0597 -9.0597 -9.0583 -9.0583 -7.4177 -7.4172 -7.1446 -7.1443 -7.1232 -7.1226 -6.6681 -6.6680 -3.8327 -3.8322 -1.0179 -1.0163 -0.9891 -0.9883 -0.4298 -0.4251 -0.1424 -0.1415 -0.1209 -0.1197 1.8810 1.8811 1.8897 1.8907 2.1067 2.1130 2.1263 2.1293 2.9977 3.0005 3.0723 3.0729 3.7579 3.7612 4.0023 4.0025 4.0315 4.0325 4.3542 4.3574 4.3741 4.3756 4.9845 4.9880 8.5249 8.5268 8.5341 8.5354 9.0649 9.0656 9.3910 9.3923 9.4076 9.4086 k = 0.0185 0.0321 0.4958 ( 5936 PWs) bands (ev): -9.0630 -9.0630 -9.0624 -9.0624 -7.4131 -7.4127 -7.1331 -7.1329 -7.1233 -7.1229 -6.6666 -6.6665 -3.8437 -3.8434 -1.0029 -1.0016 -0.9891 -0.9887 -0.4356 -0.4322 -0.1539 -0.1537 -0.1366 -0.1362 1.8981 1.8984 1.9065 1.9074 2.0993 2.1023 2.1140 2.1147 3.0096 3.0115 3.0719 3.0723 3.7537 3.7558 4.0145 4.0145 4.0434 4.0439 4.3421 4.3441 4.3541 4.3550 4.9897 4.9920 8.5334 8.5347 8.5378 8.5387 9.0691 9.0696 9.3934 9.3939 9.4065 9.4069 k = 0.0093 0.0160 0.4958 ( 5948 PWs) bands (ev): -9.0651 -9.0651 -9.0647 -9.0647 -7.4102 -7.4101 -7.1264 -7.1262 -7.1230 -7.1229 -6.6658 -6.6657 -3.8503 -3.8502 -0.9937 -0.9929 -0.9886 -0.9886 -0.4391 -0.4373 -0.1617 -0.1616 -0.1455 -0.1454 1.9095 1.9096 1.9176 1.9180 2.0938 2.0943 2.1056 2.1062 3.0170 3.0179 3.0716 3.0719 3.7513 3.7524 4.0229 4.0229 4.0514 4.0517 4.3349 4.3356 4.3404 4.3406 4.9930 4.9942 8.5389 8.5395 8.5403 8.5408 9.0714 9.0716 9.3943 9.3944 9.4065 9.4066 k = 0.0000 0.0000 0.4958 ( 5952 PWs) bands (ev): -9.0658 -9.0658 -9.0654 -9.0654 -7.4092 -7.4092 -7.1246 -7.1246 -7.1224 -7.1224 -6.6655 -6.6655 -3.8525 -3.8525 -0.9910 -0.9910 -0.9876 -0.9876 -0.4397 -0.4397 -0.1644 -0.1644 -0.1483 -0.1483 1.9135 1.9135 1.9216 1.9216 2.0915 2.0915 2.1030 2.1030 3.0198 3.0198 3.0716 3.0716 3.7509 3.7509 4.0259 4.0259 4.0543 4.0543 4.3337 4.3337 4.3343 4.3343 4.9945 4.9945 8.5410 8.5410 8.5412 8.5412 9.0722 9.0722 9.3945 9.3945 9.4066 9.4066 k = 0.5000 0.2887 0.4958 ( 5940 PWs) bands (ev): -8.7181 -8.7181 -8.4237 -8.4237 -8.1879 -8.1879 -7.8312 -7.8312 -7.1742 -7.1742 -6.8270 -6.8270 -2.8474 -2.8474 -1.6800 -1.6800 -0.7743 -0.7743 -0.1941 -0.1941 0.3923 0.3923 0.7806 0.7806 1.1351 1.1351 1.5975 1.5975 1.7057 1.7057 2.7524 2.7524 3.0160 3.0160 3.0320 3.0320 3.2896 3.2896 3.9281 3.9281 4.1240 4.1240 4.3205 4.3205 4.7256 4.7256 5.0387 5.0387 7.7753 7.7753 8.6791 8.6791 8.6901 8.6901 8.9577 8.9577 9.4200 9.4200 k = 0.5000 0.2887 0.4774 ( 5938 PWs) bands (ev): -8.7216 -8.7216 -8.4256 -8.4255 -8.1838 -8.1836 -7.8301 -7.8300 -7.1737 -7.1734 -6.8255 -6.8252 -2.8491 -2.8486 -1.6835 -1.6829 -0.7765 -0.7760 -0.1963 -0.1955 0.3949 0.3964 0.7772 0.7782 1.1353 1.1363 1.5940 1.5956 1.7075 1.7108 2.7435 2.7453 3.0126 3.0160 3.0328 3.0368 3.2899 3.2948 3.9321 3.9354 4.1216 4.1262 4.3292 4.3319 4.7237 4.7261 5.0391 5.0404 7.7734 7.7742 8.6429 8.6538 8.7074 8.7173 8.9636 8.9663 9.4204 9.4220 k = 0.5000 0.2887 0.4591 ( 5944 PWs) bands (ev): -8.7317 -8.7316 -8.4311 -8.4309 -8.1715 -8.1712 -7.8268 -7.8266 -7.1721 -7.1715 -6.8208 -6.8202 -2.8536 -2.8527 -1.6934 -1.6922 -0.7825 -0.7816 -0.2018 -0.2001 0.4042 0.4072 0.7678 0.7697 1.1373 1.1392 1.5866 1.5892 1.7151 1.7211 2.7207 2.7238 3.0052 3.0118 3.0392 3.0463 3.2954 3.3046 3.9470 3.9536 4.1220 4.1302 4.3560 4.3603 4.7206 4.7255 5.0418 5.0444 7.7686 7.7701 8.5991 8.6100 8.7282 8.7374 8.9817 8.9869 9.4239 9.4271 k = 0.5000 0.2887 0.4407 ( 5944 PWs) bands (ev): -8.7474 -8.7472 -8.4397 -8.4396 -8.1525 -8.1520 -7.8213 -7.8210 -7.1689 -7.1681 -6.8130 -6.8122 -2.8608 -2.8594 -1.7096 -1.7079 -0.7926 -0.7913 -0.2096 -0.2072 0.4197 0.4239 0.7523 0.7550 1.1413 1.1440 1.5774 1.5807 1.7261 1.7340 2.6883 2.6920 2.9947 3.0041 3.0480 3.0579 3.3050 3.3173 3.9713 3.9808 4.1304 4.1410 4.3956 4.4003 4.7168 4.7246 5.0471 5.0511 7.7614 7.7636 8.5500 8.5606 8.7441 8.7527 9.0067 9.0137 9.4316 9.4361 k = 0.5000 0.2887 0.4223 ( 5944 PWs) bands (ev): -8.7676 -8.7673 -8.4511 -8.4510 -8.1284 -8.1277 -7.8136 -7.8132 -7.1640 -7.1629 -6.8027 -6.8016 -2.8706 -2.8688 -1.7318 -1.7296 -0.8070 -0.8054 -0.2185 -0.2154 0.4405 0.4458 0.7307 0.7340 1.1474 1.1510 1.5682 1.5721 1.7383 1.7474 2.6502 2.6540 2.9830 2.9944 3.0554 3.0685 3.3171 3.3315 4.0022 4.0146 4.1510 4.1636 4.4416 4.4468 4.7136 4.7248 5.0557 5.0612 7.7524 7.7552 8.4974 8.5077 8.7570 8.7655 9.0332 9.0412 9.4449 9.4507 k = 0.5000 0.2887 0.4040 ( 5940 PWs) bands (ev): -8.7909 -8.7906 -8.4648 -8.4647 -8.1011 -8.1003 -7.8036 -7.8031 -7.1571 -7.1558 -6.7902 -6.7889 -2.8826 -2.8805 -1.7596 -1.7569 -0.8262 -0.8244 -0.2271 -0.2232 0.4657 0.4719 0.7034 0.7071 1.1556 1.1598 1.5599 1.5646 1.7501 1.7601 2.6097 2.6132 2.9710 2.9839 3.0596 3.0762 3.3310 3.3463 4.0371 4.0521 4.1859 4.2005 4.4873 4.4944 4.7136 4.7291 5.0687 5.0758 7.7423 7.7456 8.4429 8.4530 8.7681 8.7770 9.0570 9.0654 9.4653 9.4720 k = 0.5000 0.2887 0.3856 ( 5948 PWs) bands (ev): -8.8163 -8.8161 -8.4803 -8.4801 -8.0726 -8.0716 -7.7910 -7.7903 -7.1477 -7.1463 -6.7760 -6.7746 -2.8967 -2.8942 -1.7925 -1.7895 -0.8504 -0.8485 -0.2339 -0.2293 0.4940 0.5010 0.6712 0.6750 1.1653 1.1701 1.5533 1.5585 1.7609 1.7712 2.5689 2.5719 2.9595 2.9733 3.0601 3.0800 3.3461 3.3615 4.0748 4.0918 4.2346 4.2509 4.5253 4.5357 4.7226 4.7423 5.0876 5.0963 7.7318 7.7355 8.3876 8.3975 8.7777 8.7875 9.0761 9.0841 9.4931 9.5003 k = 0.5000 0.2887 0.3673 ( 5956 PWs) bands (ev): -8.8430 -8.8427 -8.4971 -8.4970 -8.0448 -8.0437 -7.7749 -7.7741 -7.1359 -7.1343 -6.7608 -6.7591 -2.9124 -2.9096 -1.8300 -1.8268 -0.8799 -0.8780 -0.2378 -0.2323 0.5240 0.5314 0.6355 0.6398 1.1755 1.1810 1.5483 1.5543 1.7702 1.7806 2.5294 2.5317 2.9486 2.9630 3.0574 3.0801 3.3623 3.3770 4.1148 4.1331 4.2938 4.3117 4.5488 4.5612 4.7482 4.7700 5.1138 5.1242 7.7217 7.7258 8.3324 8.3423 8.7860 8.7970 9.0896 9.0967 9.5277 9.5352 k = 0.5000 0.2887 0.3489 ( 5952 PWs) bands (ev): -8.8702 -8.8700 -8.5150 -8.5149 -8.0196 -8.0184 -7.7544 -7.7535 -7.1214 -7.1198 -6.7449 -6.7431 -2.9295 -2.9264 -1.8714 -1.8680 -0.9148 -0.9130 -0.2380 -0.2315 0.5498 0.5568 0.6021 0.6083 1.1854 1.1914 1.5451 1.5518 1.7782 1.7883 2.4922 2.4938 2.9386 2.9533 3.0521 3.0770 3.3792 3.3931 4.1564 4.1758 4.3591 4.3787 4.5563 4.5689 4.7925 4.8130 5.1491 5.1610 7.7126 7.7171 8.2781 8.2880 8.7929 8.8052 9.0979 9.1038 9.5677 9.5752 k = 0.5000 0.2887 0.3305 ( 5952 PWs) bands (ev): -8.8975 -8.8973 -8.5334 -8.5333 -7.9986 -7.9973 -7.7287 -7.7276 -7.1044 -7.1028 -6.7289 -6.7270 -2.9474 -2.9441 -1.9161 -1.9126 -0.9547 -0.9531 -0.2340 -0.2264 0.5393 0.5425 0.6052 0.6134 1.1939 1.2004 1.5435 1.5510 1.7850 1.7946 2.4579 2.4590 2.9294 2.9442 3.0455 3.0717 3.3969 3.4097 4.1980 4.2181 4.4257 4.4477 4.5525 4.5662 4.8502 4.8680 5.1943 5.2075 7.7051 7.7099 8.2252 8.2352 8.7982 8.8119 9.1018 9.1063 9.6110 9.6185 k = 0.5000 0.2887 0.3122 ( 5936 PWs) bands (ev): -8.9244 -8.9242 -8.5521 -8.5520 -7.9826 -7.9813 -7.6973 -7.6962 -7.0851 -7.0834 -6.7132 -6.7113 -2.9659 -2.9625 -1.9633 -1.9598 -0.9992 -0.9977 -0.2260 -0.2172 0.5001 0.5030 0.6351 0.6436 1.2001 1.2071 1.5434 1.5516 1.7912 1.7999 2.4266 2.4280 2.9212 2.9361 3.0383 3.0652 3.4154 3.4271 4.2367 4.2572 4.4832 4.5070 4.5509 4.5680 4.9168 4.9321 5.2492 5.2633 7.6995 7.7046 8.1743 8.1844 8.8021 8.8172 9.1023 9.1055 9.6556 9.6631 k = 0.5000 0.2887 0.2938 ( 5948 PWs) bands (ev): -8.9507 -8.9505 -8.5708 -8.5707 -7.9717 -7.9704 -7.6606 -7.6595 -7.0638 -7.0621 -6.6983 -6.6963 -2.9846 -2.9811 -2.0124 -2.0089 -1.0476 -1.0463 -0.2142 -0.2042 0.4569 0.4605 0.6680 0.6765 1.2034 1.2110 1.5445 1.5535 1.7972 1.8049 2.3986 2.4006 2.9139 2.9289 3.0314 3.0583 3.4346 3.4454 4.2694 4.2898 4.5018 4.5096 4.5983 4.6093 4.9912 5.0041 5.3124 5.3269 7.6961 7.7015 8.1256 8.1361 8.8047 8.8211 9.1001 9.1023 9.6997 9.7072 k = 0.5000 0.2887 0.2754 ( 5956 PWs) bands (ev): -8.9760 -8.9758 -8.5892 -8.5892 -7.9653 -7.9641 -7.6194 -7.6182 -7.0408 -7.0392 -6.6846 -6.6826 -3.0031 -2.9995 -2.0626 -2.0591 -1.0990 -1.0979 -0.1992 -0.1879 0.4134 0.4180 0.7008 0.7090 1.2036 1.2116 1.5466 1.5563 1.8032 1.8098 2.3739 2.3767 2.9079 2.9229 3.0252 3.0517 3.4545 3.4645 4.2934 4.3132 4.4895 4.4903 4.6672 4.6793 5.0725 5.0836 5.3818 5.3964 7.6948 7.7004 8.0797 8.0904 8.8065 8.8239 9.0959 9.0973 9.7416 9.7491 k = 0.5000 0.2887 0.2571 ( 5966 PWs) bands (ev): -9.0003 -9.0001 -8.6072 -8.6072 -7.9626 -7.9614 -7.5745 -7.5733 -7.0168 -7.0152 -6.6724 -6.6703 -3.0211 -3.0174 -2.1132 -2.1098 -1.1526 -1.1516 -0.1820 -0.1693 0.3711 0.3769 0.7325 0.7404 1.2004 1.2088 1.5495 1.5599 1.8094 1.8151 2.3522 2.3558 2.9034 2.9183 3.0203 3.0460 3.4752 3.4847 4.3073 4.3260 4.4665 4.4696 4.7432 4.7552 5.1597 5.1695 5.4549 5.4694 7.6957 7.7015 8.0367 8.0477 8.8084 8.8264 9.0900 9.0909 9.7793 9.7868 k = 0.5000 0.2887 0.2387 ( 5958 PWs) bands (ev): -9.0232 -9.0230 -8.6246 -8.6246 -7.9625 -7.9615 -7.5271 -7.5258 -6.9921 -6.9905 -6.6620 -6.6599 -3.0382 -3.0345 -2.1635 -2.1603 -1.2074 -1.2065 -0.1631 -0.1492 0.3308 0.3379 0.7626 0.7701 1.1941 1.2029 1.5531 1.5642 1.8158 1.8208 2.3332 2.3375 2.9007 2.9153 3.0167 3.0416 3.4966 3.5059 4.3109 4.3283 4.4415 4.4464 4.8232 4.8345 5.2512 5.2600 5.5295 5.5439 7.6984 7.7044 7.9967 8.0080 8.8114 8.8297 9.0825 9.0831 9.8100 9.8172 k = 0.5000 0.2887 0.2204 ( 5946 PWs) bands (ev): -9.0448 -9.0447 -8.6411 -8.6411 -7.9645 -7.9636 -7.4778 -7.4766 -6.9673 -6.9658 -6.6536 -6.6516 -3.0541 -3.0506 -2.2130 -2.2099 -1.2625 -1.2617 -0.1438 -0.1284 0.2933 0.3019 0.7910 0.7979 1.1851 1.1940 1.5575 1.5690 1.8221 1.8268 2.3164 2.3214 2.8999 2.9141 3.0147 3.0386 3.5188 3.5282 4.3050 4.3210 4.4159 4.4218 4.9060 4.9162 5.3451 5.3533 5.6038 5.6180 7.7028 7.7089 7.9597 7.9711 8.8169 8.8350 9.0731 9.0739 9.8276 9.8339 k = 0.5000 0.2887 0.2020 ( 5950 PWs) bands (ev): -9.0650 -9.0648 -8.6568 -8.6568 -7.9679 -7.9670 -7.4275 -7.4262 -6.9431 -6.9417 -6.6474 -6.6454 -3.0688 -3.0653 -2.2609 -2.2580 -1.3172 -1.3165 -0.1248 -0.1081 0.2594 0.2696 0.8173 0.8237 1.1737 1.1827 1.5625 1.5744 1.8282 1.8331 2.3014 2.3069 2.9012 2.9149 3.0142 3.0373 3.5418 3.5515 4.2912 4.3058 4.3902 4.3964 4.9902 4.9995 5.4392 5.4470 5.6761 5.6902 7.7086 7.7147 7.9256 7.9370 8.8261 8.8438 9.0617 9.0631 9.8224 9.8264 k = 0.5000 0.2887 0.1836 ( 5960 PWs) bands (ev): -9.0836 -9.0834 -8.6714 -8.6713 -7.9721 -7.9714 -7.3766 -7.3753 -6.9201 -6.9188 -6.6435 -6.6416 -3.0819 -3.0786 -2.3068 -2.3041 -1.3706 -1.3700 -0.1073 -0.0894 0.2301 0.2417 0.8416 0.8473 1.1604 1.1694 1.5682 1.5802 1.8338 1.8392 2.2876 2.2936 2.9046 2.9177 3.0153 3.0375 3.5657 3.5757 4.2711 4.2844 4.3645 4.3708 5.0745 5.0830 5.5317 5.5392 5.7453 5.7593 7.7152 7.7211 7.8945 7.9055 8.8404 8.8573 9.0480 9.0503 9.7927 9.7945 k = 0.5000 0.2887 0.1653 ( 5962 PWs) bands (ev): -9.1006 -9.1004 -8.6848 -8.6848 -7.9768 -7.9761 -7.3257 -7.3243 -6.8990 -6.8977 -6.6418 -6.6400 -3.0934 -3.0903 -2.3500 -2.3475 -1.4219 -1.4214 -0.0924 -0.0736 0.2062 0.2190 0.8638 0.8688 1.1458 1.1547 1.5745 1.5865 1.8388 1.8448 2.2748 2.2811 2.9100 2.9226 3.0179 3.0392 3.5904 3.6008 4.2461 4.2585 4.3391 4.3451 5.1576 5.1655 5.6207 5.6279 5.8104 5.8242 7.7223 7.7279 7.8662 7.8765 8.8605 8.8761 9.0325 9.0359 9.7502 9.7508 k = 0.5000 0.2887 0.1469 ( 5956 PWs) bands (ev): -9.1159 -9.1158 -8.6970 -8.6970 -7.9816 -7.9811 -7.2752 -7.2738 -6.8805 -6.8793 -6.6420 -6.6403 -3.1033 -3.1004 -2.3901 -2.3878 -1.4704 -1.4699 -0.0809 -0.0619 0.1886 0.2020 0.8841 0.8882 1.1304 1.1391 1.5814 1.5930 1.8433 1.8498 2.2626 2.2691 2.9170 2.9291 3.0217 3.0422 3.6158 3.6266 4.2178 4.2295 4.3140 4.3198 5.2381 5.2455 5.7042 5.7110 5.8710 5.8845 7.7291 7.7343 7.8413 7.8504 8.8857 8.8993 9.0164 9.0214 9.7037 9.7040 k = 0.5000 0.2887 0.1285 ( 5962 PWs) bands (ev): -9.1295 -9.1294 -8.7080 -8.7079 -7.9864 -7.9859 -7.2255 -7.2241 -6.8656 -6.8644 -6.6438 -6.6422 -3.1115 -3.1089 -2.4266 -2.4245 -1.5153 -1.5149 -0.0734 -0.0552 0.1778 0.1910 0.9025 0.9059 1.1147 1.1230 1.5885 1.5996 1.8472 1.8541 2.2511 2.2575 2.9253 2.9371 3.0266 3.0461 3.6419 3.6529 4.1872 4.1984 4.2898 4.2952 5.3146 5.3216 5.7804 5.7866 5.9268 5.9395 7.7346 7.7393 7.8207 7.8276 8.9116 8.9216 9.0049 9.0130 9.6573 9.6579 k = 0.5000 0.2887 0.1102 ( 5960 PWs) bands (ev): -9.1414 -9.1413 -8.7175 -8.7175 -7.9908 -7.9904 -7.1772 -7.1757 -6.8553 -6.8541 -6.6465 -6.6451 -3.1182 -3.1158 -2.4590 -2.4573 -1.5560 -1.5556 -0.0698 -0.0533 0.1734 0.1853 0.9193 0.9218 1.0991 1.1070 1.5958 1.6061 1.8505 1.8574 2.2403 2.2464 2.9345 2.9457 3.0322 3.0506 3.6686 3.6797 4.1554 4.1663 4.2670 4.2719 5.3856 5.3922 5.8479 5.8530 5.9774 5.9889 7.7370 7.7420 7.8056 7.8095 8.9235 8.9286 9.0132 9.0256 9.6131 9.6138 k = 0.5000 0.2887 0.0918 ( 5956 PWs) bands (ev): -9.1514 -9.1514 -8.7257 -8.7257 -7.9949 -7.9945 -7.1305 -7.1291 -6.8505 -6.8492 -6.6494 -6.6482 -3.1234 -3.1214 -2.4871 -2.4856 -1.5917 -1.5913 -0.0694 -0.0554 0.1739 0.1840 0.9344 0.9363 1.0840 1.0912 1.6028 1.6120 1.8533 1.8600 2.2304 2.2359 2.9439 2.9544 3.0384 3.0550 3.6954 3.7064 4.1234 4.1339 4.2462 4.2506 5.4496 5.4558 5.9054 5.9092 6.0225 6.0322 7.7350 7.7412 7.7970 7.7976 8.9138 8.9172 9.0491 9.0624 9.5713 9.5722 k = 0.5000 0.2887 0.0735 ( 5956 PWs) bands (ev): -9.1597 -9.1597 -8.7325 -8.7325 -7.9983 -7.9980 -7.0862 -7.0846 -6.8519 -6.8506 -6.6518 -6.6509 -3.1273 -3.1256 -2.5105 -2.5093 -1.6218 -1.6215 -0.0709 -0.0597 0.1775 0.1855 0.9480 0.9495 1.0696 1.0762 1.6094 1.6173 1.8557 1.8617 2.2217 2.2264 2.9529 2.9624 3.0446 3.0591 3.7220 3.7324 4.0923 4.1023 4.2282 4.2319 5.5051 5.5105 5.9524 5.9548 6.0613 6.0688 7.7300 7.7369 7.7918 7.7937 8.8961 8.8990 9.0990 9.1115 9.5318 9.5328 k = 0.5000 0.2887 0.0551 ( 5944 PWs) bands (ev): -9.1662 -9.1661 -8.7378 -8.7377 -8.0010 -8.0009 -7.0447 -7.0431 -6.8598 -6.8584 -6.6533 -6.6527 -3.1301 -3.1288 -2.5289 -2.5280 -1.6459 -1.6457 -0.0731 -0.0648 0.1823 0.1881 0.9601 0.9615 1.0566 1.0623 1.6152 1.6214 1.8578 1.8628 2.2146 2.2183 2.9611 2.9689 3.0506 3.0623 3.7473 3.7566 4.0638 4.0726 4.2135 4.2165 5.5505 5.5549 5.9887 5.9900 6.0925 6.0978 7.7247 7.7311 7.7899 7.7926 8.8785 8.8809 9.1543 9.1653 9.4938 9.4950 k = 0.5000 0.2887 0.0367 ( 5948 PWs) bands (ev): -9.1708 -9.1707 -8.7415 -8.7415 -8.0031 -8.0029 -7.0071 -7.0057 -6.8733 -6.8719 -6.6541 -6.6537 -3.1318 -3.1310 -2.5422 -2.5416 -1.6634 -1.6633 -0.0750 -0.0696 0.1869 0.1907 0.9704 0.9718 1.0456 1.0501 1.6200 1.6242 1.8596 1.8631 2.2094 2.2120 2.9679 2.9735 3.0559 3.0642 3.7696 3.7770 4.0400 4.0470 4.2028 4.2049 5.5844 5.5876 6.0145 6.0153 6.1153 6.1186 7.7211 7.7259 7.7897 7.7920 8.8644 8.8661 9.2096 9.2186 9.4567 9.4585 k = 0.5000 0.2887 0.0184 ( 5952 PWs) bands (ev): -9.1735 -9.1735 -8.7438 -8.7438 -8.0043 -8.0042 -6.9762 -6.9751 -6.8897 -6.8886 -6.6542 -6.6541 -3.1328 -3.1323 -2.5501 -2.5498 -1.6741 -1.6740 -0.0760 -0.0733 0.1904 0.1923 0.9782 0.9793 1.0380 1.0406 1.6234 1.6256 1.8610 1.8629 2.2064 2.2077 2.9728 2.9757 3.0603 3.0645 3.7863 3.7905 4.0242 4.0282 4.1964 4.1975 5.6056 5.6073 6.0300 6.0305 6.1293 6.1308 7.7196 7.7221 7.7900 7.7913 8.8554 8.8563 9.2577 9.2636 9.4231 9.4251 k = 0.5000 0.2887-0.0000 ( 5944 PWs) bands (ev): -9.1745 -9.1745 -8.7446 -8.7446 -8.0047 -8.0047 -6.9612 -6.9612 -6.8988 -6.8988 -6.6542 -6.6542 -3.1329 -3.1329 -2.5527 -2.5527 -1.6776 -1.6776 -0.0754 -0.0754 0.1922 0.1922 0.9818 0.9818 1.0360 1.0360 1.6253 1.6253 1.8622 1.8622 2.2058 2.2058 2.9755 2.9755 3.0632 3.0632 3.7940 3.7940 4.0199 4.0199 4.1946 4.1946 5.6133 5.6133 6.0354 6.0354 6.1344 6.1344 7.7200 7.7200 7.7906 7.7906 8.8526 8.8526 9.2822 9.2822 9.4075 9.4075 k = 0.3333 0.5774-0.0000 ( 5934 PWs) bands (ev): -8.8985 -8.8982 -8.8982 -8.8981 -8.2704 -8.2704 -6.8284 -6.8284 -6.8271 -6.8265 -6.7261 -6.7261 -3.1919 -3.1919 -2.1918 -2.1918 -2.1904 -2.1898 0.3443 0.3516 0.3516 0.3650 0.8330 0.8330 1.0665 1.0665 1.6739 1.6822 1.6822 1.6978 2.5078 2.5150 2.5250 2.5250 2.9411 2.9411 3.9532 3.9532 4.0653 4.0795 4.0795 4.0810 5.9328 5.9328 6.0410 6.0524 6.0524 6.0703 7.7932 7.7944 7.7944 7.8009 8.8505 8.8505 9.1101 9.1115 9.1115 9.1124 k = 0.3333 0.5774 0.0184 ( 5922 PWs) bands (ev): -8.8983 -8.8981 -8.8967 -8.8965 -8.2701 -8.2701 -6.8568 -6.8552 -6.8033 -6.8017 -6.7280 -6.7280 -3.1889 -3.1888 -2.2210 -2.2192 -2.1584 -2.1568 0.3350 0.3353 0.3693 0.3756 0.8310 0.8319 1.0670 1.0683 1.6416 1.6424 1.7207 1.7273 2.4761 2.4909 2.5481 2.5606 2.9379 2.9419 3.9557 3.9559 4.0436 4.0513 4.1042 4.1093 5.9275 5.9278 6.0168 6.0169 6.0731 6.0795 7.7900 7.7919 7.7984 7.8019 8.8453 8.8467 9.1108 9.1109 9.1238 9.1242 k = 0.3333 0.5774 0.0367 ( 5946 PWs) bands (ev): -8.8964 -8.8962 -8.8933 -8.8931 -8.2692 -8.2691 -6.8883 -6.8868 -6.7816 -6.7800 -6.7337 -6.7336 -3.1800 -3.1798 -2.2459 -2.2439 -2.1209 -2.1194 0.3201 0.3208 0.3885 0.3938 0.8257 0.8276 1.0697 1.0722 1.5990 1.5997 1.7567 1.7638 2.4431 2.4589 2.5855 2.5973 2.9323 2.9401 3.9632 3.9633 4.0172 4.0251 4.1348 4.1403 5.9118 5.9126 5.9680 5.9701 6.0778 6.0818 7.7867 7.7903 7.8007 7.8028 8.8312 8.8337 9.1215 9.1218 9.1487 9.1493 k = 0.3333 0.5774 0.0551 ( 5946 PWs) bands (ev): -8.8928 -8.8926 -8.8881 -8.8879 -8.2677 -8.2676 -6.9228 -6.9213 -6.7635 -6.7619 -6.7430 -6.7429 -3.1652 -3.1650 -2.2663 -2.2641 -2.0797 -2.0783 0.3059 0.3068 0.4093 0.4144 0.8169 0.8200 1.0751 1.0786 1.5549 1.5549 1.7899 1.7983 2.4125 2.4296 2.6235 2.6346 2.9245 2.9359 3.9730 3.9758 3.9922 4.0030 4.1667 4.1723 5.8858 5.8874 5.9080 5.9104 6.0660 6.0687 7.7861 7.7907 7.8004 7.8019 8.8083 8.8119 9.1420 9.1427 9.1858 9.1866 k = 0.3333 0.5774 0.0735 ( 5958 PWs) bands (ev): -8.8874 -8.8873 -8.8812 -8.8810 -8.2657 -8.2656 -6.9599 -6.9585 -6.7559 -6.7558 -6.7488 -6.7474 -3.1448 -3.1445 -2.2822 -2.2799 -2.0349 -2.0336 0.2926 0.2933 0.4316 0.4369 0.8046 0.8088 1.0834 1.0877 1.5088 1.5093 1.8200 1.8299 2.3852 2.4037 2.6615 2.6720 2.9148 2.9296 3.9691 3.9695 3.9927 4.0002 4.1992 4.2049 5.8357 5.8403 5.8526 5.8528 6.0376 6.0394 7.7892 7.7930 7.7972 7.7999 8.7776 8.7819 9.1708 9.1718 9.2341 9.2349 k = 0.3333 0.5774 0.0918 ( 5958 PWs) bands (ev): -8.8804 -8.8802 -8.8725 -8.8723 -8.2632 -8.2630 -6.9995 -6.9981 -6.7717 -6.7717 -6.7381 -6.7366 -3.1191 -3.1187 -2.2937 -2.2912 -1.9870 -1.9857 0.2798 0.2803 0.4556 0.4611 0.7884 0.7941 1.0950 1.0997 1.4617 1.4628 1.8468 1.8582 2.3618 2.3816 2.6992 2.7092 2.9038 2.9216 3.9479 3.9513 4.0134 4.0177 4.2320 4.2376 5.7578 5.7618 5.8079 5.8094 5.9936 5.9946 7.7896 7.7912 7.7964 7.8050 8.7402 8.7449 9.2061 9.2074 9.2920 9.2929 k = 0.3333 0.5774 0.1102 ( 5958 PWs) bands (ev): -8.8716 -8.8715 -8.8621 -8.8618 -8.2603 -8.2601 -7.0414 -7.0400 -6.7905 -6.7904 -6.7310 -6.7295 -3.0883 -3.0879 -2.3008 -2.2982 -1.9361 -1.9349 0.2674 0.2677 0.4811 0.4868 0.7684 0.7755 1.1100 1.1150 1.4140 1.4157 1.8701 1.8829 2.3429 2.3641 2.7364 2.7459 2.8918 2.9122 3.9287 3.9329 4.0370 4.0402 4.2646 4.2702 5.6728 5.6767 5.7557 5.7580 5.9350 5.9355 7.7815 7.7832 7.8077 7.8166 8.6978 8.7027 9.2462 9.2479 9.3576 9.3585 k = 0.3333 0.5774 0.1285 ( 5955 PWs) bands (ev): -8.8612 -8.8611 -8.8500 -8.8497 -8.2571 -8.2569 -7.0851 -7.0838 -6.8117 -6.8116 -6.7275 -6.7260 -3.0529 -3.0524 -2.3037 -2.3009 -1.8827 -1.8816 0.2551 0.2552 0.5080 0.5140 0.7448 0.7534 1.1284 1.1336 1.3662 1.3683 1.8897 1.9038 2.3292 2.3515 2.7726 2.7817 2.8791 2.9017 3.9117 3.9161 4.0628 4.0650 4.2963 4.3019 5.5829 5.5864 5.6964 5.6995 5.8639 5.8639 7.7719 7.7738 7.8224 7.8318 8.6524 8.6571 9.2893 9.2913 9.4290 9.4297 k = 0.3333 0.5774 0.1469 ( 5949 PWs) bands (ev): -8.8492 -8.8490 -8.8362 -8.8359 -8.2538 -8.2535 -7.1306 -7.1293 -6.8350 -6.8349 -6.7274 -6.7260 -3.0133 -3.0128 -2.3026 -2.2996 -1.8271 -1.8260 0.2427 0.2428 0.5359 0.5422 0.7177 0.7277 1.1504 1.1554 1.3187 1.3214 1.9059 1.9208 2.3210 2.3439 2.8077 2.8162 2.8663 2.8905 3.8966 3.9012 4.0899 4.0909 4.3266 4.3322 5.4895 5.4928 5.6309 5.6350 5.7817 5.7819 7.7619 7.7639 7.8398 7.8497 8.6058 8.6102 9.3339 9.3361 9.5038 9.5043 k = 0.3333 0.5774 0.1653 ( 5961 PWs) bands (ev): -8.8355 -8.8354 -8.8207 -8.8205 -8.2504 -8.2502 -7.1775 -7.1762 -6.8598 -6.8597 -6.7308 -6.7293 -2.9700 -2.9694 -2.2977 -2.2946 -1.7697 -1.7687 0.2300 0.2302 0.5644 0.5710 0.6874 0.6989 1.1759 1.1804 1.2722 1.2757 1.9189 1.9342 2.3183 2.3413 2.8414 2.8460 2.8568 2.8789 3.8836 3.8884 4.1169 4.1173 4.3547 4.3602 5.3944 5.3973 5.5604 5.5657 5.6908 5.6911 7.7523 7.7545 7.8590 7.8692 8.5596 8.5636 9.3783 9.3806 9.5797 9.5799 k = 0.3333 0.5774 0.1836 ( 5973 PWs) bands (ev): -8.8203 -8.8202 -8.8037 -8.8034 -8.2472 -8.2470 -7.2256 -7.2244 -6.8857 -6.8856 -6.7373 -6.7359 -2.9234 -2.9227 -2.2894 -2.2862 -1.7109 -1.7099 0.2170 0.2172 0.5925 0.5997 0.6544 0.6675 1.2047 1.2054 1.2277 1.2351 1.9296 1.9445 2.3207 2.3434 2.8390 2.8671 2.8735 2.8826 3.8726 3.8774 4.1420 4.1441 4.3795 4.3850 5.2995 5.3018 5.4861 5.4929 5.5930 5.5934 7.7439 7.7463 7.8791 7.8896 8.5151 8.5186 9.4210 9.4234 9.6315 9.6423 k = 0.3333 0.5774 0.2020 ( 5967 PWs) bands (ev): -8.8036 -8.8035 -8.7851 -8.7848 -8.2444 -8.2441 -7.2746 -7.2734 -6.9121 -6.9120 -6.7468 -6.7455 -2.8740 -2.8733 -2.2782 -2.2748 -1.6511 -1.6502 0.2035 0.2038 0.6157 0.6190 0.6270 0.6373 1.1865 1.1865 1.2367 1.2447 1.9386 1.9527 2.3277 2.3494 2.8266 2.8553 2.9038 2.9124 3.8635 3.8684 4.1650 4.1691 4.3995 4.4050 5.2067 5.2085 5.4097 5.4179 5.4902 5.4905 7.7373 7.7399 7.8996 7.9101 8.4732 8.4762 9.4609 9.4633 9.6370 9.6480 k = 0.3333 0.5774 0.2204 ( 5967 PWs) bands (ev): -8.7855 -8.7854 -8.7650 -8.7647 -8.2421 -8.2418 -7.3242 -7.3231 -6.9386 -6.9385 -6.7591 -6.7578 -2.8224 -2.8217 -2.2644 -2.2608 -1.5907 -1.5898 0.1896 0.1897 0.5817 0.5937 0.6472 0.6514 1.1503 1.1514 1.2718 1.2785 1.9469 1.9597 2.3384 2.3587 2.8143 2.8435 2.9323 2.9405 3.8563 3.8612 4.1850 4.1912 4.4129 4.4183 5.1187 5.1199 5.3325 5.3423 5.3838 5.3840 7.7333 7.7359 7.9196 7.9302 8.4345 8.4369 9.4970 9.4992 9.6366 9.6477 k = 0.3333 0.5774 0.2387 ( 5970 PWs) bands (ev): -8.7659 -8.7658 -8.7435 -8.7432 -8.2407 -8.2404 -7.3742 -7.3731 -6.9646 -6.9646 -6.7739 -6.7727 -2.7692 -2.7684 -2.2485 -2.2449 -1.5302 -1.5293 0.1751 0.1751 0.5428 0.5563 0.6658 0.6703 1.1216 1.1225 1.3098 1.3161 1.9551 1.9663 2.3519 2.3705 2.8024 2.8318 2.9587 2.9667 3.8507 3.8558 4.2006 4.2092 4.4170 4.4225 5.0388 5.0394 5.2563 5.2664 5.2754 5.2769 7.7321 7.7348 7.9390 7.9493 8.3993 8.4011 9.5284 9.5306 9.6292 9.6401 k = 0.3333 0.5774 0.2571 ( 5952 PWs) bands (ev): -8.7451 -8.7450 -8.7206 -8.7203 -8.2403 -8.2399 -7.4243 -7.4233 -6.9897 -6.9896 -6.7909 -6.7897 -2.7147 -2.7140 -2.2311 -2.2274 -1.4700 -1.4691 0.1601 0.1603 0.5027 0.5170 0.6770 0.6810 1.1032 1.1035 1.3506 1.3566 1.9638 1.9731 2.3675 2.3842 2.7909 2.8202 2.9831 2.9909 3.8468 3.8519 4.2106 4.2218 4.4086 4.4144 4.9706 4.9707 5.1647 5.1664 5.1831 5.1977 7.7342 7.7369 7.9571 7.9673 8.3676 8.3688 9.5549 9.5569 9.6148 9.6255 k = 0.3333 0.5774 0.2754 ( 5961 PWs) bands (ev): -8.7230 -8.7229 -8.6966 -8.6963 -8.2412 -8.2408 -7.4743 -7.4733 -7.0132 -7.0131 -6.8098 -6.8086 -2.6597 -2.6589 -2.2127 -2.2090 -1.4105 -1.4097 0.1448 0.1454 0.4620 0.4768 0.6782 0.6813 1.0967 1.0973 1.3938 1.3996 1.9733 1.9806 2.3847 2.3992 2.7797 2.8087 3.0054 3.0129 3.8442 3.8495 4.2137 4.2274 4.3852 4.3914 4.9169 4.9177 5.0559 5.0580 5.1148 5.1312 7.7397 7.7425 7.9740 7.9838 8.3393 8.3399 9.5760 9.5784 9.5944 9.6051 k = 0.3333 0.5774 0.2938 ( 5961 PWs) bands (ev): -8.6998 -8.6997 -8.6715 -8.6712 -8.2436 -8.2433 -7.5237 -7.5228 -7.0347 -7.0347 -6.8303 -6.8292 -2.6045 -2.6038 -2.1941 -2.1903 -1.3523 -1.3515 0.1295 0.1305 0.4210 0.4360 0.6683 0.6704 1.1029 1.1045 1.4393 1.4449 1.9835 1.9888 2.4029 2.4153 2.7687 2.7973 3.0255 3.0327 3.8431 3.8484 4.2086 4.2248 4.3462 4.3530 4.8789 4.8812 4.9485 4.9523 5.0536 5.0716 7.7489 7.7518 7.9894 7.9987 8.3139 8.3140 9.5697 9.5772 9.5951 9.5957 k = 0.3333 0.5774 0.3122 ( 5943 PWs) bands (ev): -8.6755 -8.6755 -8.6456 -8.6452 -8.2479 -8.2476 -7.5724 -7.5715 -7.0539 -7.0539 -6.8520 -6.8510 -2.5498 -2.5491 -2.1757 -2.1720 -1.2958 -1.2951 0.1145 0.1160 0.3802 0.3953 0.6490 0.6502 1.1204 1.1228 1.4867 1.4920 1.9942 1.9974 2.4219 2.4321 2.7580 2.7857 3.0435 3.0504 3.8431 3.8485 4.1947 4.2129 4.2941 4.3019 4.8372 4.8439 4.8593 4.8680 5.0011 5.0205 7.7618 7.7647 8.0033 8.0121 8.2906 8.2910 9.5428 9.5509 9.6073 9.6077 k = 0.3333 0.5774 0.3305 ( 5949 PWs) bands (ev): -8.6503 -8.6503 -8.6189 -8.6186 -8.2542 -8.2538 -7.6198 -7.6190 -7.0702 -7.0702 -6.8748 -6.8738 -2.4961 -2.4955 -2.1584 -2.1547 -1.2417 -1.2409 0.1002 0.1022 0.3400 0.3551 0.6230 0.6234 1.1463 1.1493 1.5356 1.5406 2.0049 2.0061 2.4415 2.4496 2.7473 2.7740 3.0593 3.0659 3.8442 3.8497 4.1718 4.1914 4.2337 4.2429 4.7433 4.7436 4.8483 4.8508 4.9584 4.9785 7.7783 7.7813 8.0157 8.0238 8.2689 8.2698 9.5160 9.5238 9.6163 9.6167 k = 0.3333 0.5774 0.3489 ( 5943 PWs) bands (ev): -8.6243 -8.6243 -8.5920 -8.5917 -8.2626 -8.2623 -7.6658 -7.6650 -7.0834 -7.0834 -6.8981 -6.8971 -2.4440 -2.4435 -2.1426 -2.1391 -1.1903 -1.1896 0.0870 0.0897 0.3009 0.3158 0.5930 0.5930 1.1774 1.1808 1.5856 1.5903 2.0141 2.0147 2.4616 2.4676 2.7365 2.7619 3.0731 3.0793 3.8463 3.8519 4.1409 4.1604 4.1699 4.1814 4.6479 4.6495 4.8444 4.8465 4.9256 4.9458 7.7983 7.8014 8.0266 8.0341 8.2481 8.2495 9.4911 9.4986 9.6225 9.6227 k = 0.3333 0.5774 0.3673 ( 5943 PWs) bands (ev): -8.5977 -8.5976 -8.5651 -8.5648 -8.2734 -8.2731 -7.7096 -7.7089 -7.0933 -7.0932 -6.9217 -6.9208 -2.3940 -2.3936 -2.1292 -2.1258 -1.1425 -1.1418 0.0755 0.0789 0.2634 0.2779 0.5613 0.5617 1.2110 1.2145 1.6363 1.6405 2.0205 2.0228 2.4821 2.4864 2.7254 2.7492 3.0849 3.0906 3.8492 3.8549 4.1037 4.1069 4.1148 4.1286 4.5589 4.5613 4.8446 4.8470 4.9019 4.9215 7.8216 7.8247 8.0361 8.0428 8.2275 8.2292 9.4701 9.4773 9.6263 9.6264 k = 0.3333 0.5774 0.3856 ( 5928 PWs) bands (ev): -8.5705 -8.5705 -8.5388 -8.5385 -8.2865 -8.2861 -7.7508 -7.7501 -7.0996 -7.0995 -6.9452 -6.9444 -2.3465 -2.3463 -2.1187 -2.1154 -1.0989 -1.0983 0.0660 0.0703 0.2278 0.2419 0.5303 0.5308 1.2449 1.2483 1.6870 1.6906 2.0243 2.0279 2.5030 2.5058 2.7139 2.7359 3.0947 3.0999 3.8530 3.8586 4.0479 4.0592 4.0628 4.0858 4.4775 4.4805 4.8469 4.8499 4.8857 4.9043 7.8478 7.8510 8.0442 8.0501 8.2062 8.2083 9.4545 9.4614 9.6282 9.6283 k = 0.3333 0.5774 0.4040 ( 5934 PWs) bands (ev): -8.5431 -8.5430 -8.5137 -8.5134 -8.3019 -8.3016 -7.7886 -7.7880 -7.1023 -7.1021 -6.9683 -6.9675 -2.3023 -2.3022 -2.1116 -2.1087 -1.0601 -1.0596 0.0592 0.0644 0.1946 0.2082 0.5014 0.5020 1.2771 1.2802 1.7370 1.7400 2.0246 2.0290 2.5241 2.5260 2.7018 2.7217 3.1027 3.1072 3.8574 3.8629 3.9954 4.0085 4.0207 4.0431 4.4052 4.4084 4.8500 4.8538 4.8754 4.8924 7.8766 7.8798 8.0510 8.0561 8.1836 8.1859 9.4455 9.4521 9.6288 9.6291 k = 0.3333 0.5774 0.4223 ( 5934 PWs) bands (ev): -8.5155 -8.5154 -8.4908 -8.4905 -8.3195 -8.3192 -7.8220 -7.8215 -7.1015 -7.1012 -6.9906 -6.9899 -2.2618 -2.2616 -2.1087 -2.1060 -1.0270 -1.0266 0.0554 0.0615 0.1643 0.1772 0.4759 0.4765 1.3060 1.3087 1.7856 1.7878 2.0203 2.0251 2.5453 2.5469 2.6889 2.7065 3.1090 3.1128 3.8622 3.8675 3.9515 3.9660 3.9804 4.0023 4.3431 4.3464 4.8532 4.8578 4.8691 4.8846 7.9074 7.9107 8.0565 8.0608 8.1591 8.1616 9.4439 9.4502 9.6285 9.6291 k = 0.3333 0.5774 0.4407 ( 5949 PWs) bands (ev): -8.4880 -8.4880 -8.4709 -8.4707 -8.3392 -8.3389 -7.8500 -7.8496 -7.0972 -7.0969 -7.0119 -7.0113 -2.2255 -2.2251 -2.1102 -2.1079 -1.0003 -0.9999 0.0551 0.0622 0.1371 0.1493 0.4549 0.4554 1.3302 1.3324 1.8320 1.8332 2.0107 2.0154 2.5663 2.5682 2.6750 2.6902 3.1139 3.1168 3.8671 3.8719 3.9176 3.9334 3.9443 3.9657 4.2927 4.2957 4.8560 4.8617 4.8656 4.8793 7.9398 7.9432 8.0608 8.0643 8.1325 8.1351 9.4500 9.4562 9.6261 9.6287 k = 0.3333 0.5774 0.4591 ( 5952 PWs) bands (ev): -8.4609 -8.4608 -8.4554 -8.4553 -8.3608 -8.3606 -7.8713 -7.8710 -7.0896 -7.0893 -7.0317 -7.0311 -2.1937 -2.1930 -2.1166 -2.1146 -0.9806 -0.9804 0.0586 0.0667 0.1136 0.1249 0.4392 0.4396 1.3486 1.3501 1.8752 1.8753 1.9953 1.9994 2.5870 2.5897 2.6599 2.6727 3.1173 3.1193 3.8714 3.8757 3.8949 3.9116 3.9147 3.9356 4.2554 4.2577 4.8582 4.8637 4.8651 4.8758 7.9730 7.9765 8.0638 8.0667 8.1040 8.1064 9.4639 9.4700 9.5896 9.5930 k = 0.3333 0.5774 0.4774 ( 5964 PWs) bands (ev): -8.4455 -8.4454 -8.4343 -8.4342 -8.3840 -8.3838 -7.8846 -7.8845 -7.0790 -7.0786 -7.0497 -7.0492 -2.1668 -2.1657 -2.1281 -2.1264 -0.9685 -0.9684 0.0659 0.0751 0.0940 0.1043 0.4296 0.4297 1.3601 1.3609 1.9133 1.9143 1.9737 1.9771 2.6069 2.6107 2.6435 2.6543 3.1195 3.1206 3.8745 3.8779 3.8841 3.8935 3.9011 3.9139 4.2326 4.2339 4.8596 4.8627 4.8680 4.8730 8.0065 8.0102 8.0636 8.0680 8.0755 8.0757 9.4851 9.4913 9.5504 9.5539 k = 0.3333 0.5774 0.4958 ( 5970 PWs) bands (ev): -8.4421 -8.4421 -8.4089 -8.4085 -8.4084 -8.4083 -7.8892 -7.8892 -7.0667 -7.0651 -7.0651 -7.0644 -2.1461 -2.1436 -2.1435 -2.1434 -0.9644 -0.9644 0.0746 0.0811 0.0877 0.0877 0.4263 0.4263 1.3643 1.3643 1.9463 1.9463 1.9472 1.9498 2.6256 2.6258 2.6258 2.6402 3.1206 3.1206 3.8772 3.8773 3.8833 3.8833 3.9016 3.9026 4.2254 4.2254 4.8602 4.8623 4.8706 4.8706 8.0393 8.0393 8.0431 8.0438 8.0685 8.0686 9.5065 9.5196 9.5196 9.5228 Writing output data file SiS2.save init_run : 1.13s CPU 0.64s WALL ( 1 calls) electrons : 338.50s CPU 252.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.12s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 338.49s CPU 252.88s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.55s CPU 0.29s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.60s CPU 0.60s WALL ( 260 calls) cegterg : 291.99s CPU 225.80s WALL ( 464 calls) Called by sum_band: Called by *egterg: h_psi : 198.78s CPU 133.25s WALL ( 7861 calls) s_psi : 22.34s CPU 16.35s WALL ( 7861 calls) g_psi : 0.48s CPU 0.34s WALL ( 7137 calls) cdiaghg : 72.72s CPU 66.37s WALL ( 7397 calls) cegterg:over : 11.50s CPU 9.83s WALL ( 7137 calls) cegterg:upda : 10.78s CPU 9.43s WALL ( 7137 calls) cegterg:last : 4.76s CPU 4.66s WALL ( 1240 calls) cdiaghg:chol : 4.32s CPU 3.89s WALL ( 7397 calls) cdiaghg:inve : 2.58s CPU 2.49s WALL ( 7397 calls) cdiaghg:para : 4.48s CPU 4.21s WALL ( 14794 calls) Called by h_psi: h_psi:vloc : 150.79s CPU 97.70s WALL ( 7861 calls) h_psi:vnl : 47.54s CPU 35.20s WALL ( 7861 calls) add_vuspsi : 28.38s CPU 20.57s WALL ( 7861 calls) General routines calbec : 19.13s CPU 14.60s WALL ( 7861 calls) fft : 0.08s CPU 0.05s WALL ( 19 calls) ffts : 0.01s CPU 0.00s WALL ( 4 calls) fftw : 142.59s CPU 91.48s WALL ( 818356 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.26s CPU 1.09s WALL ( 520 calls) Parallel routines fft_scatter : 55.52s CPU 41.54s WALL ( 818379 calls) PWSCF : 5m57.30s CPU 4m45.73s WALL This run was terminated on: 4:45:24 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=