Program PWSCF v.5.4.0 starts on 15Mar2017 at 12:11:57 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 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaAg2GeS4.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 29 28 7 791 730 107 Max 30 29 8 795 750 112 Sum 2129 2023 573 57097 53065 7941 Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 11.8585 a.u. unit-cell volume = 1261.1462 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 4 number of electrons = 60.00 number of Kohn-Sham states= 72 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 193.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.858518 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.408038 celldm(5)= -0.408038 celldm(6)= -0.183924 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.183924 0.982940 0.000000 ) a(3) = ( -0.408038 -0.491470 0.769391 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.187116 0.649865 ) b(2) = ( 0.000000 1.017356 0.649865 ) b(3) = ( 0.000000 0.000000 1.299730 ) 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 Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 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 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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) Ge 4.00 72.64000 Ge( 1.00) Ba 10.00 137.32700 Ba( 1.00) Ag 11.00 107.86820 Ag( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s 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 s 2 inv. 180 deg rotation - cart. axis [0,0,1] -s -2 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 272 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0000000 0.0196929), wk = 0.0036765 k( 3) = ( 0.0000000 0.0000000 0.0393858), wk = 0.0036765 k( 4) = ( 0.0000000 0.0000000 0.0590786), wk = 0.0036765 k( 5) = ( 0.0000000 0.0000000 0.0787715), wk = 0.0036765 k( 6) = ( 0.0000000 0.0000000 0.0984644), wk = 0.0036765 k( 7) = ( 0.0000000 0.0000000 0.1181573), wk = 0.0036765 k( 8) = ( 0.0000000 0.0000000 0.1378501), wk = 0.0036765 k( 9) = ( 0.0000000 0.0000000 0.1575430), wk = 0.0036765 k( 10) = ( 0.0000000 0.0000000 0.1772359), wk = 0.0036765 k( 11) = ( 0.0000000 0.0000000 0.1969288), wk = 0.0036765 k( 12) = ( 0.0000000 0.0000000 0.2166216), wk = 0.0036765 k( 13) = ( 0.0000000 0.0000000 0.2363145), wk = 0.0036765 k( 14) = ( 0.0000000 0.0000000 0.2560074), wk = 0.0036765 k( 15) = ( 0.0000000 0.0000000 0.2757003), wk = 0.0036765 k( 16) = ( 0.0000000 0.0000000 0.2953931), wk = 0.0036765 k( 17) = ( 0.0000000 0.0000000 0.3150860), wk = 0.0036765 k( 18) = ( 0.0000000 0.0000000 0.3347789), wk = 0.0036765 k( 19) = ( 0.0000000 0.0000000 0.3544718), wk = 0.0036765 k( 20) = ( 0.0000000 0.0000000 0.3741646), wk = 0.0036765 k( 21) = ( 0.0000000 0.0000000 0.3938575), wk = 0.0036765 k( 22) = ( 0.0000000 0.0000000 0.4135504), wk = 0.0036765 k( 23) = ( 0.0000000 0.0000000 0.4332433), wk = 0.0036765 k( 24) = ( 0.0000000 0.0000000 0.4529361), wk = 0.0036765 k( 25) = ( 0.0000000 0.0000000 0.4726290), wk = 0.0036765 k( 26) = ( 0.0000000 0.0000000 0.4923219), wk = 0.0036765 k( 27) = ( 0.0000000 0.0000000 0.5120148), wk = 0.0036765 k( 28) = ( 0.0000000 0.0000000 0.5317076), wk = 0.0036765 k( 29) = ( 0.0000000 0.0000000 0.5514005), wk = 0.0036765 k( 30) = ( 0.0000000 0.0000000 0.5710934), wk = 0.0036765 k( 31) = ( 0.0000000 0.0000000 0.5907863), wk = 0.0036765 k( 32) = ( 0.0000000 0.0000000 0.6104792), wk = 0.0036765 k( 33) = ( 0.0000000 0.0000000 0.6301720), wk = 0.0036765 k( 34) = ( 0.0000000 0.0000000 0.6498649), wk = 0.0036765 k( 35) = ( 0.0000000 0.0000000 0.6498649), wk = 0.0036765 k( 36) = ( -0.0151120 0.0125466 0.6498649), wk = 0.0036765 k( 37) = ( -0.0302240 0.0250932 0.6498649), wk = 0.0036765 k( 38) = ( -0.0453360 0.0376397 0.6498649), wk = 0.0036765 k( 39) = ( -0.0604480 0.0501863 0.6498649), wk = 0.0036765 k( 40) = ( -0.0755600 0.0627329 0.6498649), wk = 0.0036765 k( 41) = ( -0.0906720 0.0752795 0.6498649), wk = 0.0036765 k( 42) = ( -0.1057840 0.0878261 0.6498649), wk = 0.0036765 k( 43) = ( -0.1208960 0.1003726 0.6498649), wk = 0.0036765 k( 44) = ( -0.1360080 0.1129192 0.6498649), wk = 0.0036765 k( 45) = ( -0.1511200 0.1254658 0.6498649), wk = 0.0036765 k( 46) = ( -0.1662320 0.1380124 0.6498649), wk = 0.0036765 k( 47) = ( -0.1813440 0.1505590 0.6498649), wk = 0.0036765 k( 48) = ( -0.1964560 0.1631055 0.6498649), wk = 0.0036765 k( 49) = ( -0.2115680 0.1756521 0.6498649), wk = 0.0036765 k( 50) = ( -0.2266800 0.1881987 0.6498649), wk = 0.0036765 k( 51) = ( -0.2417920 0.2007453 0.6498649), wk = 0.0036765 k( 52) = ( -0.2569040 0.2132919 0.6498649), wk = 0.0036765 k( 53) = ( -0.2720161 0.2258385 0.6498649), wk = 0.0036765 k( 54) = ( -0.2871281 0.2383850 0.6498649), wk = 0.0036765 k( 55) = ( -0.3022400 0.2509316 0.6498649), wk = 0.0036765 k( 56) = ( -0.3173521 0.2634782 0.6498649), wk = 0.0036765 k( 57) = ( -0.3324641 0.2760248 0.6498649), wk = 0.0036765 k( 58) = ( -0.3475761 0.2885714 0.6498649), wk = 0.0036765 k( 59) = ( -0.3626881 0.3011179 0.6498649), wk = 0.0036765 k( 60) = ( -0.3626881 0.3011179 0.6498649), wk = 0.0036765 k( 61) = ( -0.3724961 0.3092609 0.6371172), wk = 0.0036765 k( 62) = ( -0.3823041 0.3174039 0.6243694), wk = 0.0036765 k( 63) = ( -0.3921120 0.3255469 0.6116217), wk = 0.0036765 k( 64) = ( -0.4019200 0.3336899 0.5988739), wk = 0.0036765 k( 65) = ( -0.4117280 0.3418329 0.5861262), wk = 0.0036765 k( 66) = ( -0.4215360 0.3499759 0.5733784), wk = 0.0036765 k( 67) = ( -0.4313440 0.3581188 0.5606307), wk = 0.0036765 k( 68) = ( -0.4313440 0.3581188 0.5606307), wk = 0.0036765 k( 69) = ( -0.4205604 0.3491659 0.5466149), wk = 0.0036765 k( 70) = ( -0.4097768 0.3402129 0.5325992), wk = 0.0036765 k( 71) = ( -0.3989932 0.3312599 0.5185834), wk = 0.0036765 k( 72) = ( -0.3882096 0.3223070 0.5045676), wk = 0.0036765 k( 73) = ( -0.3774260 0.3133540 0.4905519), wk = 0.0036765 k( 74) = ( -0.3666424 0.3044010 0.4765361), wk = 0.0036765 k( 75) = ( -0.3558588 0.2954480 0.4625203), wk = 0.0036765 k( 76) = ( -0.3450752 0.2864951 0.4485046), wk = 0.0036765 k( 77) = ( -0.3342916 0.2775421 0.4344888), wk = 0.0036765 k( 78) = ( -0.3235080 0.2685891 0.4204730), wk = 0.0036765 k( 79) = ( -0.3127244 0.2596362 0.4064572), wk = 0.0036765 k( 80) = ( -0.3019408 0.2506832 0.3924415), wk = 0.0036765 k( 81) = ( -0.2911572 0.2417302 0.3784257), wk = 0.0036765 k( 82) = ( -0.2803736 0.2327772 0.3644100), wk = 0.0036765 k( 83) = ( -0.2695900 0.2238243 0.3503942), wk = 0.0036765 k( 84) = ( -0.2588064 0.2148713 0.3363784), wk = 0.0036765 k( 85) = ( -0.2480228 0.2059183 0.3223627), wk = 0.0036765 k( 86) = ( -0.2372392 0.1969654 0.3083469), wk = 0.0036765 k( 87) = ( -0.2264556 0.1880124 0.2943311), wk = 0.0036765 k( 88) = ( -0.2156720 0.1790594 0.2803154), wk = 0.0036765 k( 89) = ( -0.2048884 0.1701064 0.2662996), wk = 0.0036765 k( 90) = ( -0.1941048 0.1611535 0.2522838), wk = 0.0036765 k( 91) = ( -0.1833212 0.1522005 0.2382680), wk = 0.0036765 k( 92) = ( -0.1725376 0.1432475 0.2242523), wk = 0.0036765 k( 93) = ( -0.1617540 0.1342946 0.2102365), wk = 0.0036765 k( 94) = ( -0.1509704 0.1253416 0.1962207), wk = 0.0036765 k( 95) = ( -0.1401868 0.1163886 0.1822050), wk = 0.0036765 k( 96) = ( -0.1294032 0.1074357 0.1681892), wk = 0.0036765 k( 97) = ( -0.1186196 0.0984827 0.1541734), wk = 0.0036765 k( 98) = ( -0.1078360 0.0895297 0.1401577), wk = 0.0036765 k( 99) = ( -0.0970524 0.0805767 0.1261419), wk = 0.0036765 k( 100) = ( -0.0862688 0.0716238 0.1121261), wk = 0.0036765 k( 101) = ( -0.0754852 0.0626708 0.0981104), wk = 0.0036765 k( 102) = ( -0.0647016 0.0537178 0.0840946), wk = 0.0036765 k( 103) = ( -0.0539180 0.0447649 0.0700788), wk = 0.0036765 k( 104) = ( -0.0431344 0.0358119 0.0560631), wk = 0.0036765 k( 105) = ( -0.0323508 0.0268589 0.0420473), wk = 0.0036765 k( 106) = ( -0.0215672 0.0179059 0.0280315), wk = 0.0036765 k( 107) = ( -0.0107836 0.0089530 0.0140158), wk = 0.0036765 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 110) = ( 0.0125000 0.0150559 -0.0000000), wk = 0.0036765 k( 111) = ( 0.0250000 0.0301118 -0.0000000), wk = 0.0036765 k( 112) = ( 0.0375000 0.0451677 -0.0000000), wk = 0.0036765 k( 113) = ( 0.0500000 0.0602236 -0.0000000), wk = 0.0036765 k( 114) = ( 0.0625000 0.0752795 -0.0000000), wk = 0.0036765 k( 115) = ( 0.0750000 0.0903354 -0.0000000), wk = 0.0036765 k( 116) = ( 0.0875000 0.1053913 -0.0000000), wk = 0.0036765 k( 117) = ( 0.1000000 0.1204472 -0.0000000), wk = 0.0036765 k( 118) = ( 0.1125000 0.1355031 -0.0000000), wk = 0.0036765 k( 119) = ( 0.1250000 0.1505590 -0.0000000), wk = 0.0036765 k( 120) = ( 0.1375000 0.1656149 -0.0000000), wk = 0.0036765 k( 121) = ( 0.1500000 0.1806708 -0.0000000), wk = 0.0036765 k( 122) = ( 0.1625000 0.1957267 0.0000000), wk = 0.0036765 k( 123) = ( 0.1750000 0.2107826 -0.0000000), wk = 0.0036765 k( 124) = ( 0.1875000 0.2258385 -0.0000000), wk = 0.0036765 k( 125) = ( 0.2000000 0.2408944 -0.0000000), wk = 0.0036765 k( 126) = ( 0.2125000 0.2559503 -0.0000000), wk = 0.0036765 k( 127) = ( 0.2250000 0.2710061 -0.0000000), wk = 0.0036765 k( 128) = ( 0.2375000 0.2860620 -0.0000000), wk = 0.0036765 k( 129) = ( 0.2500000 0.3011179 -0.0000000), wk = 0.0036765 k( 130) = ( 0.2625000 0.3161738 -0.0000000), wk = 0.0036765 k( 131) = ( 0.2750000 0.3312297 -0.0000000), wk = 0.0036765 k( 132) = ( 0.2875000 0.3462856 -0.0000000), wk = 0.0036765 k( 133) = ( 0.3000000 0.3613415 -0.0000000), wk = 0.0036765 k( 134) = ( 0.3125000 0.3763974 -0.0000000), wk = 0.0036765 k( 135) = ( 0.3250000 0.3914533 0.0000000), wk = 0.0036765 k( 136) = ( 0.3375000 0.4065092 -0.0000000), wk = 0.0036765 k( 137) = ( 0.3500000 0.4215651 -0.0000000), wk = 0.0036765 k( 138) = ( 0.3625000 0.4366210 -0.0000000), wk = 0.0036765 k( 139) = ( 0.3750000 0.4516769 -0.0000000), wk = 0.0036765 k( 140) = ( 0.3875000 0.4667328 -0.0000000), wk = 0.0036765 k( 141) = ( 0.4000000 0.4817887 -0.0000000), wk = 0.0036765 k( 142) = ( 0.4125000 0.4968446 0.0000000), wk = 0.0036765 k( 143) = ( 0.4250000 0.5119005 -0.0000000), wk = 0.0036765 k( 144) = ( 0.4375000 0.5269564 -0.0000000), wk = 0.0036765 k( 145) = ( 0.4500000 0.5420123 -0.0000000), wk = 0.0036765 k( 146) = ( 0.4625000 0.5570682 -0.0000000), wk = 0.0036765 k( 147) = ( 0.4750000 0.5721241 -0.0000000), wk = 0.0036765 k( 148) = ( 0.4875000 0.5871800 -0.0000000), wk = 0.0036765 k( 149) = ( 0.5000000 0.6022359 -0.0000000), wk = 0.0036765 k( 150) = ( 0.5000000 0.6022359 -0.0000000), wk = 0.0036765 k( 151) = ( 0.4901920 0.6103789 0.0127477), wk = 0.0036765 k( 152) = ( 0.4803840 0.6185219 0.0254955), wk = 0.0036765 k( 153) = ( 0.4705760 0.6266648 0.0382432), wk = 0.0036765 k( 154) = ( 0.4607680 0.6348078 0.0509910), wk = 0.0036765 k( 155) = ( 0.4509600 0.6429508 0.0637387), wk = 0.0036765 k( 156) = ( 0.4411520 0.6510938 0.0764865), wk = 0.0036765 k( 157) = ( 0.4313440 0.6592368 0.0892342), wk = 0.0036765 k( 158) = ( 0.4313440 0.6592368 0.0892342), wk = 0.0036765 k( 159) = ( 0.4147539 0.6534460 0.0982995), wk = 0.0036765 k( 160) = ( 0.3981637 0.6476553 0.1073648), wk = 0.0036765 k( 161) = ( 0.3815736 0.6418646 0.1164302), wk = 0.0036765 k( 162) = ( 0.3649834 0.6360739 0.1254955), wk = 0.0036765 k( 163) = ( 0.3483933 0.6302831 0.1345608), wk = 0.0036765 k( 164) = ( 0.3318031 0.6244924 0.1436261), wk = 0.0036765 k( 165) = ( 0.3152129 0.6187017 0.1526914), wk = 0.0036765 k( 166) = ( 0.2986228 0.6129109 0.1617567), wk = 0.0036765 k( 167) = ( 0.2820326 0.6071202 0.1708221), wk = 0.0036765 k( 168) = ( 0.2654425 0.6013295 0.1798874), wk = 0.0036765 k( 169) = ( 0.2488523 0.5955388 0.1889527), wk = 0.0036765 k( 170) = ( 0.2322622 0.5897480 0.1980180), wk = 0.0036765 k( 171) = ( 0.2156720 0.5839573 0.2070833), wk = 0.0036765 k( 172) = ( 0.1990819 0.5781666 0.2161486), wk = 0.0036765 k( 173) = ( 0.1824917 0.5723758 0.2252140), wk = 0.0036765 k( 174) = ( 0.1659016 0.5665851 0.2342793), wk = 0.0036765 k( 175) = ( 0.1493114 0.5607944 0.2433446), wk = 0.0036765 k( 176) = ( 0.1327212 0.5550036 0.2524099), wk = 0.0036765 k( 177) = ( 0.1161311 0.5492129 0.2614752), wk = 0.0036765 k( 178) = ( 0.0995409 0.5434222 0.2705406), wk = 0.0036765 k( 179) = ( 0.0829508 0.5376315 0.2796059), wk = 0.0036765 k( 180) = ( 0.0663606 0.5318407 0.2886712), wk = 0.0036765 k( 181) = ( 0.0497705 0.5260500 0.2977365), wk = 0.0036765 k( 182) = ( 0.0331803 0.5202593 0.3068018), wk = 0.0036765 k( 183) = ( 0.0165902 0.5144685 0.3158671), wk = 0.0036765 k( 184) = ( 0.0000000 0.5086778 0.3249325), wk = 0.0036765 k( 185) = ( 0.0000000 0.5086778 0.3249325), wk = 0.0036765 k( 186) = ( 0.0104167 0.5000295 0.3384713), wk = 0.0036765 k( 187) = ( 0.0208333 0.4913812 0.3520102), wk = 0.0036765 k( 188) = ( 0.0312500 0.4827328 0.3655490), wk = 0.0036765 k( 189) = ( 0.0416667 0.4740845 0.3790879), wk = 0.0036765 k( 190) = ( 0.0520833 0.4654362 0.3926267), wk = 0.0036765 k( 191) = ( 0.0625000 0.4567878 0.4061656), wk = 0.0036765 k( 192) = ( 0.0729167 0.4481395 0.4197044), wk = 0.0036765 k( 193) = ( 0.0833333 0.4394912 0.4332433), wk = 0.0036765 k( 194) = ( 0.0937500 0.4308429 0.4467821), wk = 0.0036765 k( 195) = ( 0.1041667 0.4221945 0.4603210), wk = 0.0036765 k( 196) = ( 0.1145833 0.4135462 0.4738598), wk = 0.0036765 k( 197) = ( 0.1250000 0.4048979 0.4873987), wk = 0.0036765 k( 198) = ( 0.1354167 0.3962495 0.5009375), wk = 0.0036765 k( 199) = ( 0.1458333 0.3876012 0.5144764), wk = 0.0036765 k( 200) = ( 0.1562500 0.3789529 0.5280152), wk = 0.0036765 k( 201) = ( 0.1666667 0.3703046 0.5415541), wk = 0.0036765 k( 202) = ( 0.1770833 0.3616562 0.5550929), wk = 0.0036765 k( 203) = ( 0.1875000 0.3530079 0.5686318), wk = 0.0036765 k( 204) = ( 0.1979167 0.3443596 0.5821706), wk = 0.0036765 k( 205) = ( 0.2083333 0.3357113 0.5957095), wk = 0.0036765 k( 206) = ( 0.2187500 0.3270629 0.6092483), wk = 0.0036765 k( 207) = ( 0.2291667 0.3184146 0.6227872), wk = 0.0036765 k( 208) = ( 0.2395833 0.3097663 0.6363260), wk = 0.0036765 k( 209) = ( 0.2500000 0.3011179 0.6498649), wk = 0.0036765 k( 210) = ( 0.2500000 0.3011179 0.6498649), wk = 0.0036765 k( 211) = ( 0.2580645 0.3108314 0.6346586), wk = 0.0036765 k( 212) = ( 0.2661290 0.3205449 0.6194522), wk = 0.0036765 k( 213) = ( 0.2741936 0.3302584 0.6042459), wk = 0.0036765 k( 214) = ( 0.2822581 0.3399719 0.5890395), wk = 0.0036765 k( 215) = ( 0.2903226 0.3496854 0.5738332), wk = 0.0036765 k( 216) = ( 0.2983871 0.3593988 0.5586269), wk = 0.0036765 k( 217) = ( 0.3064516 0.3691123 0.5434205), wk = 0.0036765 k( 218) = ( 0.3145161 0.3788258 0.5282142), wk = 0.0036765 k( 219) = ( 0.3225807 0.3885393 0.5130079), wk = 0.0036765 k( 220) = ( 0.3306452 0.3982528 0.4978015), wk = 0.0036765 k( 221) = ( 0.3387097 0.4079662 0.4825952), wk = 0.0036765 k( 222) = ( 0.3467742 0.4176797 0.4673888), wk = 0.0036765 k( 223) = ( 0.3548387 0.4273932 0.4521825), wk = 0.0036765 k( 224) = ( 0.3629032 0.4371067 0.4369762), wk = 0.0036765 k( 225) = ( 0.3709677 0.4468202 0.4217698), wk = 0.0036765 k( 226) = ( 0.3790323 0.4565337 0.4065635), wk = 0.0036765 k( 227) = ( 0.3870968 0.4662471 0.3913571), wk = 0.0036765 k( 228) = ( 0.3951613 0.4759606 0.3761508), wk = 0.0036765 k( 229) = ( 0.4032258 0.4856741 0.3609445), wk = 0.0036765 k( 230) = ( 0.4112903 0.4953876 0.3457381), wk = 0.0036765 k( 231) = ( 0.4193548 0.5051011 0.3305318), wk = 0.0036765 k( 232) = ( 0.4274193 0.5148145 0.3153255), wk = 0.0036765 k( 233) = ( 0.4354839 0.5245280 0.3001191), wk = 0.0036765 k( 234) = ( 0.4435484 0.5342415 0.2849128), wk = 0.0036765 k( 235) = ( 0.4516129 0.5439550 0.2697064), wk = 0.0036765 k( 236) = ( 0.4596774 0.5536685 0.2545001), wk = 0.0036765 k( 237) = ( 0.4677419 0.5633820 0.2392938), wk = 0.0036765 k( 238) = ( 0.4758064 0.5730954 0.2240874), wk = 0.0036765 k( 239) = ( 0.4838710 0.5828089 0.2088811), wk = 0.0036765 k( 240) = ( 0.4919355 0.5925224 0.1936748), wk = 0.0036765 k( 241) = ( 0.5000000 0.6022359 0.1784684), wk = 0.0036765 k( 242) = ( 0.5000000 0.6022359 0.1784684), wk = 0.0036765 k( 243) = ( 0.5000000 0.6022359 0.1586386), wk = 0.0036765 k( 244) = ( 0.5000000 0.6022359 0.1388088), wk = 0.0036765 k( 245) = ( 0.5000000 0.6022359 0.1189789), wk = 0.0036765 k( 246) = ( 0.5000000 0.6022359 0.0991491), wk = 0.0036765 k( 247) = ( 0.5000000 0.6022359 0.0793193), wk = 0.0036765 k( 248) = ( 0.5000000 0.6022359 0.0594895), wk = 0.0036765 k( 249) = ( 0.5000000 0.6022359 0.0396596), wk = 0.0036765 k( 250) = ( 0.5000000 0.6022359 0.0198298), wk = 0.0036765 k( 251) = ( 0.5000000 0.6022359 -0.0000000), wk = 0.0036765 k( 252) = ( 0.0000000 0.0000000 0.6498649), wk = 0.0036765 k( 253) = ( 0.0125000 0.0150559 0.6498649), wk = 0.0036765 k( 254) = ( 0.0250000 0.0301118 0.6498649), wk = 0.0036765 k( 255) = ( 0.0375000 0.0451677 0.6498649), wk = 0.0036765 k( 256) = ( 0.0500000 0.0602236 0.6498649), wk = 0.0036765 k( 257) = ( 0.0625000 0.0752795 0.6498649), wk = 0.0036765 k( 258) = ( 0.0750000 0.0903354 0.6498649), wk = 0.0036765 k( 259) = ( 0.0875000 0.1053913 0.6498649), wk = 0.0036765 k( 260) = ( 0.1000000 0.1204472 0.6498649), wk = 0.0036765 k( 261) = ( 0.1125000 0.1355031 0.6498649), wk = 0.0036765 k( 262) = ( 0.1250000 0.1505590 0.6498649), wk = 0.0036765 k( 263) = ( 0.1375000 0.1656149 0.6498649), wk = 0.0036765 k( 264) = ( 0.1500000 0.1806708 0.6498649), wk = 0.0036765 k( 265) = ( 0.1625000 0.1957267 0.6498649), wk = 0.0036765 k( 266) = ( 0.1750000 0.2107826 0.6498649), wk = 0.0036765 k( 267) = ( 0.1875000 0.2258385 0.6498649), wk = 0.0036765 k( 268) = ( 0.2000000 0.2408944 0.6498649), wk = 0.0036765 k( 269) = ( 0.2125000 0.2559503 0.6498649), wk = 0.0036765 k( 270) = ( 0.2250000 0.2710061 0.6498649), wk = 0.0036765 k( 271) = ( 0.2375000 0.2860620 0.6498649), wk = 0.0036765 k( 272) = ( 0.2500000 0.3011179 0.6498649), wk = 0.0036765 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0036765 k( 3) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0036765 k( 4) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0036765 k( 5) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0036765 k( 6) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0036765 k( 7) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0036765 k( 8) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0036765 k( 9) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0036765 k( 10) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0036765 k( 11) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0036765 k( 12) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0036765 k( 13) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0036765 k( 14) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0036765 k( 15) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0036765 k( 16) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0036765 k( 17) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0036765 k( 18) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0036765 k( 19) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0036765 k( 20) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0036765 k( 21) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0036765 k( 22) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0036765 k( 23) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0036765 k( 24) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0036765 k( 25) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0036765 k( 26) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0036765 k( 27) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0036765 k( 28) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0036765 k( 29) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0036765 k( 30) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0036765 k( 31) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0036765 k( 32) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0036765 k( 33) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0036765 k( 34) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 35) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 36) = ( -0.0151120 0.0151120 0.5000000), wk = 0.0036765 k( 37) = ( -0.0302240 0.0302240 0.5000000), wk = 0.0036765 k( 38) = ( -0.0453360 0.0453360 0.5000000), wk = 0.0036765 k( 39) = ( -0.0604480 0.0604480 0.5000000), wk = 0.0036765 k( 40) = ( -0.0755600 0.0755600 0.5000000), wk = 0.0036765 k( 41) = ( -0.0906720 0.0906720 0.5000000), wk = 0.0036765 k( 42) = ( -0.1057840 0.1057840 0.5000000), wk = 0.0036765 k( 43) = ( -0.1208960 0.1208960 0.5000000), wk = 0.0036765 k( 44) = ( -0.1360080 0.1360080 0.5000000), wk = 0.0036765 k( 45) = ( -0.1511200 0.1511200 0.5000000), wk = 0.0036765 k( 46) = ( -0.1662320 0.1662320 0.5000000), wk = 0.0036765 k( 47) = ( -0.1813440 0.1813440 0.5000000), wk = 0.0036765 k( 48) = ( -0.1964560 0.1964560 0.5000000), wk = 0.0036765 k( 49) = ( -0.2115680 0.2115680 0.5000000), wk = 0.0036765 k( 50) = ( -0.2266800 0.2266800 0.5000000), wk = 0.0036765 k( 51) = ( -0.2417920 0.2417920 0.5000000), wk = 0.0036765 k( 52) = ( -0.2569040 0.2569040 0.5000000), wk = 0.0036765 k( 53) = ( -0.2720161 0.2720161 0.5000000), wk = 0.0036765 k( 54) = ( -0.2871281 0.2871281 0.5000000), wk = 0.0036765 k( 55) = ( -0.3022400 0.3022400 0.5000000), wk = 0.0036765 k( 56) = ( -0.3173521 0.3173521 0.5000000), wk = 0.0036765 k( 57) = ( -0.3324641 0.3324641 0.5000000), wk = 0.0036765 k( 58) = ( -0.3475761 0.3475761 0.5000000), wk = 0.0036765 k( 59) = ( -0.3626881 0.3626881 0.5000000), wk = 0.0036765 k( 60) = ( -0.3626881 0.3626881 0.5000000), wk = 0.0036765 k( 61) = ( -0.3724961 0.3724961 0.4901920), wk = 0.0036765 k( 62) = ( -0.3823041 0.3823041 0.4803840), wk = 0.0036765 k( 63) = ( -0.3921120 0.3921120 0.4705760), wk = 0.0036765 k( 64) = ( -0.4019200 0.4019200 0.4607680), wk = 0.0036765 k( 65) = ( -0.4117280 0.4117280 0.4509600), wk = 0.0036765 k( 66) = ( -0.4215360 0.4215360 0.4411520), wk = 0.0036765 k( 67) = ( -0.4313440 0.4313440 0.4313440), wk = 0.0036765 k( 68) = ( -0.4313440 0.4313440 0.4313440), wk = 0.0036765 k( 69) = ( -0.4205604 0.4205604 0.4205604), wk = 0.0036765 k( 70) = ( -0.4097768 0.4097768 0.4097768), wk = 0.0036765 k( 71) = ( -0.3989932 0.3989932 0.3989932), wk = 0.0036765 k( 72) = ( -0.3882096 0.3882096 0.3882096), wk = 0.0036765 k( 73) = ( -0.3774260 0.3774260 0.3774260), wk = 0.0036765 k( 74) = ( -0.3666424 0.3666424 0.3666424), wk = 0.0036765 k( 75) = ( -0.3558588 0.3558588 0.3558588), wk = 0.0036765 k( 76) = ( -0.3450752 0.3450752 0.3450752), wk = 0.0036765 k( 77) = ( -0.3342916 0.3342916 0.3342916), wk = 0.0036765 k( 78) = ( -0.3235080 0.3235080 0.3235080), wk = 0.0036765 k( 79) = ( -0.3127244 0.3127244 0.3127244), wk = 0.0036765 k( 80) = ( -0.3019408 0.3019408 0.3019408), wk = 0.0036765 k( 81) = ( -0.2911572 0.2911572 0.2911572), wk = 0.0036765 k( 82) = ( -0.2803736 0.2803736 0.2803736), wk = 0.0036765 k( 83) = ( -0.2695900 0.2695900 0.2695900), wk = 0.0036765 k( 84) = ( -0.2588064 0.2588064 0.2588064), wk = 0.0036765 k( 85) = ( -0.2480228 0.2480228 0.2480228), wk = 0.0036765 k( 86) = ( -0.2372392 0.2372392 0.2372392), wk = 0.0036765 k( 87) = ( -0.2264556 0.2264556 0.2264556), wk = 0.0036765 k( 88) = ( -0.2156720 0.2156720 0.2156720), wk = 0.0036765 k( 89) = ( -0.2048884 0.2048884 0.2048884), wk = 0.0036765 k( 90) = ( -0.1941048 0.1941048 0.1941048), wk = 0.0036765 k( 91) = ( -0.1833212 0.1833212 0.1833212), wk = 0.0036765 k( 92) = ( -0.1725376 0.1725376 0.1725376), wk = 0.0036765 k( 93) = ( -0.1617540 0.1617540 0.1617540), wk = 0.0036765 k( 94) = ( -0.1509704 0.1509704 0.1509704), wk = 0.0036765 k( 95) = ( -0.1401868 0.1401868 0.1401868), wk = 0.0036765 k( 96) = ( -0.1294032 0.1294032 0.1294032), wk = 0.0036765 k( 97) = ( -0.1186196 0.1186196 0.1186196), wk = 0.0036765 k( 98) = ( -0.1078360 0.1078360 0.1078360), wk = 0.0036765 k( 99) = ( -0.0970524 0.0970524 0.0970524), wk = 0.0036765 k( 100) = ( -0.0862688 0.0862688 0.0862688), wk = 0.0036765 k( 101) = ( -0.0754852 0.0754852 0.0754852), wk = 0.0036765 k( 102) = ( -0.0647016 0.0647016 0.0647016), wk = 0.0036765 k( 103) = ( -0.0539180 0.0539180 0.0539180), wk = 0.0036765 k( 104) = ( -0.0431344 0.0431344 0.0431344), wk = 0.0036765 k( 105) = ( -0.0323508 0.0323508 0.0323508), wk = 0.0036765 k( 106) = ( -0.0215672 0.0215672 0.0215672), wk = 0.0036765 k( 107) = ( -0.0107836 0.0107836 0.0107836), wk = 0.0036765 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 110) = ( 0.0125000 0.0125000 -0.0125000), wk = 0.0036765 k( 111) = ( 0.0250000 0.0250000 -0.0250000), wk = 0.0036765 k( 112) = ( 0.0375000 0.0375000 -0.0375000), wk = 0.0036765 k( 113) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0036765 k( 114) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0036765 k( 115) = ( 0.0750000 0.0750000 -0.0750000), wk = 0.0036765 k( 116) = ( 0.0875000 0.0875000 -0.0875000), wk = 0.0036765 k( 117) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0036765 k( 118) = ( 0.1125000 0.1125000 -0.1125000), wk = 0.0036765 k( 119) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0036765 k( 120) = ( 0.1375000 0.1375000 -0.1375000), wk = 0.0036765 k( 121) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0036765 k( 122) = ( 0.1625000 0.1625000 -0.1625000), wk = 0.0036765 k( 123) = ( 0.1750000 0.1750000 -0.1750000), wk = 0.0036765 k( 124) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0036765 k( 125) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0036765 k( 126) = ( 0.2125000 0.2125000 -0.2125000), wk = 0.0036765 k( 127) = ( 0.2250000 0.2250000 -0.2250000), wk = 0.0036765 k( 128) = ( 0.2375000 0.2375000 -0.2375000), wk = 0.0036765 k( 129) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0036765 k( 130) = ( 0.2625000 0.2625000 -0.2625000), wk = 0.0036765 k( 131) = ( 0.2750000 0.2750000 -0.2750000), wk = 0.0036765 k( 132) = ( 0.2875000 0.2875000 -0.2875000), wk = 0.0036765 k( 133) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0036765 k( 134) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0036765 k( 135) = ( 0.3250000 0.3250000 -0.3250000), wk = 0.0036765 k( 136) = ( 0.3375000 0.3375000 -0.3375000), wk = 0.0036765 k( 137) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0036765 k( 138) = ( 0.3625000 0.3625000 -0.3625000), wk = 0.0036765 k( 139) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0036765 k( 140) = ( 0.3875000 0.3875000 -0.3875000), wk = 0.0036765 k( 141) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0036765 k( 142) = ( 0.4125000 0.4125000 -0.4125000), wk = 0.0036765 k( 143) = ( 0.4250000 0.4250000 -0.4250000), wk = 0.0036765 k( 144) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0036765 k( 145) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0036765 k( 146) = ( 0.4625000 0.4625000 -0.4625000), wk = 0.0036765 k( 147) = ( 0.4750000 0.4750000 -0.4750000), wk = 0.0036765 k( 148) = ( 0.4875000 0.4875000 -0.4875000), wk = 0.0036765 k( 149) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 150) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 151) = ( 0.4901920 0.5098080 -0.4901920), wk = 0.0036765 k( 152) = ( 0.4803840 0.5196160 -0.4803840), wk = 0.0036765 k( 153) = ( 0.4705760 0.5294240 -0.4705760), wk = 0.0036765 k( 154) = ( 0.4607680 0.5392320 -0.4607680), wk = 0.0036765 k( 155) = ( 0.4509600 0.5490400 -0.4509600), wk = 0.0036765 k( 156) = ( 0.4411520 0.5588480 -0.4411520), wk = 0.0036765 k( 157) = ( 0.4313440 0.5686560 -0.4313440), wk = 0.0036765 k( 158) = ( 0.4313440 0.5686560 -0.4313440), wk = 0.0036765 k( 159) = ( 0.4147539 0.5660154 -0.4147539), wk = 0.0036765 k( 160) = ( 0.3981637 0.5633747 -0.3981637), wk = 0.0036765 k( 161) = ( 0.3815736 0.5607341 -0.3815736), wk = 0.0036765 k( 162) = ( 0.3649834 0.5580935 -0.3649834), wk = 0.0036765 k( 163) = ( 0.3483933 0.5554529 -0.3483933), wk = 0.0036765 k( 164) = ( 0.3318031 0.5528123 -0.3318031), wk = 0.0036765 k( 165) = ( 0.3152129 0.5501717 -0.3152130), wk = 0.0036765 k( 166) = ( 0.2986228 0.5475311 -0.2986228), wk = 0.0036765 k( 167) = ( 0.2820326 0.5448904 -0.2820326), wk = 0.0036765 k( 168) = ( 0.2654425 0.5422498 -0.2654425), wk = 0.0036765 k( 169) = ( 0.2488523 0.5396092 -0.2488523), wk = 0.0036765 k( 170) = ( 0.2322622 0.5369686 -0.2322622), wk = 0.0036765 k( 171) = ( 0.2156720 0.5343280 -0.2156720), wk = 0.0036765 k( 172) = ( 0.1990819 0.5316874 -0.1990819), wk = 0.0036765 k( 173) = ( 0.1824917 0.5290468 -0.1824917), wk = 0.0036765 k( 174) = ( 0.1659016 0.5264061 -0.1659016), wk = 0.0036765 k( 175) = ( 0.1493114 0.5237655 -0.1493114), wk = 0.0036765 k( 176) = ( 0.1327212 0.5211249 -0.1327212), wk = 0.0036765 k( 177) = ( 0.1161311 0.5184843 -0.1161311), wk = 0.0036765 k( 178) = ( 0.0995409 0.5158437 -0.0995409), wk = 0.0036765 k( 179) = ( 0.0829508 0.5132031 -0.0829508), wk = 0.0036765 k( 180) = ( 0.0663606 0.5105625 -0.0663606), wk = 0.0036765 k( 181) = ( 0.0497705 0.5079218 -0.0497705), wk = 0.0036765 k( 182) = ( 0.0331803 0.5052812 -0.0331803), wk = 0.0036765 k( 183) = ( 0.0165902 0.5026406 -0.0165902), wk = 0.0036765 k( 184) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 185) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 186) = ( 0.0104167 0.4895833 0.0104167), wk = 0.0036765 k( 187) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0036765 k( 188) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0036765 k( 189) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0036765 k( 190) = ( 0.0520833 0.4479167 0.0520833), wk = 0.0036765 k( 191) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036765 k( 192) = ( 0.0729167 0.4270833 0.0729167), wk = 0.0036765 k( 193) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0036765 k( 194) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0036765 k( 195) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0036765 k( 196) = ( 0.1145833 0.3854167 0.1145833), wk = 0.0036765 k( 197) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036765 k( 198) = ( 0.1354167 0.3645833 0.1354167), wk = 0.0036765 k( 199) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0036765 k( 200) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0036765 k( 201) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0036765 k( 202) = ( 0.1770833 0.3229167 0.1770833), wk = 0.0036765 k( 203) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036765 k( 204) = ( 0.1979167 0.3020833 0.1979167), wk = 0.0036765 k( 205) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0036765 k( 206) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0036765 k( 207) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0036765 k( 208) = ( 0.2395833 0.2604167 0.2395833), wk = 0.0036765 k( 209) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 k( 210) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 k( 211) = ( 0.2580645 0.2580645 0.2302359), wk = 0.0036765 k( 212) = ( 0.2661290 0.2661290 0.2104717), wk = 0.0036765 k( 213) = ( 0.2741936 0.2741936 0.1907076), wk = 0.0036765 k( 214) = ( 0.2822581 0.2822581 0.1709435), wk = 0.0036765 k( 215) = ( 0.2903226 0.2903226 0.1511793), wk = 0.0036765 k( 216) = ( 0.2983871 0.2983871 0.1314152), wk = 0.0036765 k( 217) = ( 0.3064516 0.3064516 0.1116511), wk = 0.0036765 k( 218) = ( 0.3145161 0.3145161 0.0918870), wk = 0.0036765 k( 219) = ( 0.3225807 0.3225807 0.0721228), wk = 0.0036765 k( 220) = ( 0.3306452 0.3306452 0.0523587), wk = 0.0036765 k( 221) = ( 0.3387097 0.3387097 0.0325946), wk = 0.0036765 k( 222) = ( 0.3467742 0.3467742 0.0128304), wk = 0.0036765 k( 223) = ( 0.3548387 0.3548387 -0.0069337), wk = 0.0036765 k( 224) = ( 0.3629032 0.3629032 -0.0266978), wk = 0.0036765 k( 225) = ( 0.3709677 0.3709677 -0.0464620), wk = 0.0036765 k( 226) = ( 0.3790323 0.3790323 -0.0662261), wk = 0.0036765 k( 227) = ( 0.3870968 0.3870968 -0.0859902), wk = 0.0036765 k( 228) = ( 0.3951613 0.3951613 -0.1057544), wk = 0.0036765 k( 229) = ( 0.4032258 0.4032258 -0.1255185), wk = 0.0036765 k( 230) = ( 0.4112903 0.4112903 -0.1452826), wk = 0.0036765 k( 231) = ( 0.4193548 0.4193548 -0.1650468), wk = 0.0036765 k( 232) = ( 0.4274193 0.4274193 -0.1848109), wk = 0.0036765 k( 233) = ( 0.4354839 0.4354839 -0.2045750), wk = 0.0036765 k( 234) = ( 0.4435484 0.4435484 -0.2243391), wk = 0.0036765 k( 235) = ( 0.4516129 0.4516129 -0.2441033), wk = 0.0036765 k( 236) = ( 0.4596774 0.4596774 -0.2638674), wk = 0.0036765 k( 237) = ( 0.4677419 0.4677419 -0.2836315), wk = 0.0036765 k( 238) = ( 0.4758064 0.4758065 -0.3033957), wk = 0.0036765 k( 239) = ( 0.4838710 0.4838710 -0.3231598), wk = 0.0036765 k( 240) = ( 0.4919355 0.4919355 -0.3429239), wk = 0.0036765 k( 241) = ( 0.5000000 0.5000000 -0.3626881), wk = 0.0036765 k( 242) = ( 0.5000000 0.5000000 -0.3626881), wk = 0.0036765 k( 243) = ( 0.5000000 0.5000000 -0.3779449), wk = 0.0036765 k( 244) = ( 0.5000000 0.5000000 -0.3932018), wk = 0.0036765 k( 245) = ( 0.5000000 0.5000000 -0.4084587), wk = 0.0036765 k( 246) = ( 0.5000000 0.5000000 -0.4237156), wk = 0.0036765 k( 247) = ( 0.5000000 0.5000000 -0.4389725), wk = 0.0036765 k( 248) = ( 0.5000000 0.5000000 -0.4542294), wk = 0.0036765 k( 249) = ( 0.5000000 0.5000000 -0.4694862), wk = 0.0036765 k( 250) = ( 0.5000000 0.5000000 -0.4847431), wk = 0.0036765 k( 251) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 252) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 253) = ( 0.0125000 0.0125000 0.4875000), wk = 0.0036765 k( 254) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0036765 k( 255) = ( 0.0375000 0.0375000 0.4625000), wk = 0.0036765 k( 256) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0036765 k( 257) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0036765 k( 258) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0036765 k( 259) = ( 0.0875000 0.0875000 0.4125000), wk = 0.0036765 k( 260) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0036765 k( 261) = ( 0.1125000 0.1125000 0.3875000), wk = 0.0036765 k( 262) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0036765 k( 263) = ( 0.1375000 0.1375000 0.3625000), wk = 0.0036765 k( 264) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0036765 k( 265) = ( 0.1625000 0.1625000 0.3375000), wk = 0.0036765 k( 266) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0036765 k( 267) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0036765 k( 268) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0036765 k( 269) = ( 0.2125000 0.2125000 0.2875000), wk = 0.0036765 k( 270) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0036765 k( 271) = ( 0.2375000 0.2375000 0.2625000), wk = 0.0036765 k( 272) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 Dense grid: 57097 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 53065 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 186, 72) NL pseudopotentials 0.36 Mb ( 93, 253) Each V/rho on FFT grid 0.04 Mb ( 2916) Each G-vector array 0.01 Mb ( 794) G-vector shells 0.00 Mb ( 388) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.82 Mb ( 186, 288) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.56 Mb ( 253, 2, 72) The potential is recalculated from file : ./BaAg2GeS4.save/charge-density.dat Starting wfc are 86 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.3 secs Computing kpt #: 2 total cpu time spent up to now is 7.2 secs Computing kpt #: 3 total cpu time spent up to now is 8.6 secs Computing kpt #: 4 total cpu time spent up to now is 10.1 secs Computing kpt #: 5 total cpu time spent up to now is 11.6 secs Computing kpt #: 6 total cpu time spent up to now is 12.9 secs Computing kpt #: 7 total cpu time spent up to now is 14.2 secs Computing kpt #: 8 total cpu time spent up to now is 15.5 secs Computing kpt #: 9 total cpu time spent up to now is 16.8 secs Computing kpt #: 10 total cpu time spent up to now is 18.2 secs Computing kpt #: 11 total cpu time spent up to now is 19.5 secs Computing kpt #: 12 total cpu time spent up to now is 20.8 secs Computing kpt #: 13 total cpu time spent up to now is 22.1 secs Computing kpt #: 14 total cpu time spent up to now is 23.4 secs Computing kpt #: 15 total cpu time spent up to now is 24.7 secs Computing kpt #: 16 total cpu time spent up to now is 26.0 secs Computing kpt #: 17 total cpu time spent up to now is 27.2 secs Computing kpt #: 18 total cpu time spent up to now is 28.4 secs Computing kpt #: 19 total cpu time spent up to now is 29.7 secs Computing kpt #: 20 total cpu time spent up to now is 30.9 secs Computing kpt #: 21 total cpu time spent up to now is 32.2 secs Computing kpt #: 22 total cpu time spent up to now is 33.4 secs Computing kpt #: 23 total cpu time spent up to now is 34.6 secs Computing kpt #: 24 total cpu time spent up to now is 35.8 secs Computing kpt #: 25 total cpu time spent up to now is 37.0 secs Computing kpt #: 26 total cpu time spent up to now is 38.2 secs Computing kpt #: 27 total cpu time spent up to now is 39.4 secs Computing kpt #: 28 total cpu time spent up to now is 40.6 secs Computing kpt #: 29 total cpu time spent up to now is 41.8 secs Computing kpt #: 30 total cpu time spent up to now is 43.1 secs Computing kpt #: 31 total cpu time spent up to now is 44.3 secs Computing kpt #: 32 total cpu time spent up to now is 45.6 secs Computing kpt #: 33 total cpu time spent up to now is 46.8 secs Computing kpt #: 34 total cpu time spent up to now is 48.1 secs Computing kpt #: 35 total cpu time spent up to now is 49.4 secs Computing kpt #: 36 total cpu time spent up to now is 50.6 secs Computing kpt #: 37 total cpu time spent up to now is 51.9 secs Computing kpt #: 38 total cpu time spent up to now is 53.2 secs Computing kpt #: 39 total cpu time spent up to now is 54.6 secs Computing kpt #: 40 total cpu time spent up to now is 55.8 secs Computing kpt #: 41 total cpu time spent up to now is 57.1 secs Computing kpt #: 42 total cpu time spent up to now is 58.4 secs Computing kpt #: 43 total cpu time spent up to now is 59.7 secs Computing kpt #: 44 total cpu time spent up to now is 61.0 secs Computing kpt #: 45 total cpu time spent up to now is 62.3 secs Computing kpt #: 46 total cpu time spent up to now is 63.6 secs Computing kpt #: 47 total cpu time spent up to now is 64.9 secs Computing kpt #: 48 total cpu time spent up to now is 66.2 secs Computing kpt #: 49 total cpu time spent up to now is 67.4 secs Computing kpt #: 50 total cpu time spent up to now is 68.7 secs Computing kpt #: 51 total cpu time spent up to now is 70.0 secs Computing kpt #: 52 total cpu time spent up to now is 71.2 secs Computing kpt #: 53 total cpu time spent up to now is 72.5 secs Computing kpt #: 54 total cpu time spent up to now is 73.8 secs Computing kpt #: 55 total cpu time spent up to now is 75.0 secs Computing kpt #: 56 total cpu time spent up to now is 76.4 secs Computing kpt #: 57 total cpu time spent up to now is 77.6 secs Computing kpt #: 58 total cpu time spent up to now is 78.9 secs Computing kpt #: 59 total cpu time spent up to now is 80.2 secs Computing kpt #: 60 total cpu time spent up to now is 81.5 secs Computing kpt #: 61 total cpu time spent up to now is 82.7 secs Computing kpt #: 62 total cpu time spent up to now is 84.0 secs Computing kpt #: 63 total cpu time spent 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total cpu time spent up to now is 227.1 secs Computing kpt #: 171 total cpu time spent up to now is 228.4 secs Computing kpt #: 172 total cpu time spent up to now is 229.6 secs Computing kpt #: 173 total cpu time spent up to now is 230.9 secs Computing kpt #: 174 total cpu time spent up to now is 232.2 secs Computing kpt #: 175 total cpu time spent up to now is 233.4 secs Computing kpt #: 176 total cpu time spent up to now is 234.7 secs Computing kpt #: 177 total cpu time spent up to now is 236.0 secs Computing kpt #: 178 total cpu time spent up to now is 237.3 secs Computing kpt #: 179 total cpu time spent up to now is 238.6 secs Computing kpt #: 180 total cpu time spent up to now is 239.9 secs Computing kpt #: 181 total cpu time spent up to now is 241.3 secs Computing kpt #: 182 total cpu time spent up to now is 242.7 secs Computing kpt #: 183 total cpu time spent up to now is 244.2 secs Computing kpt #: 184 total cpu time spent up to now is 245.6 secs Computing kpt #: 185 total cpu 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up to now is 268.1 secs Computing kpt #: 201 total cpu time spent up to now is 269.5 secs Computing kpt #: 202 total cpu time spent up to now is 270.8 secs Computing kpt #: 203 total cpu time spent up to now is 272.2 secs Computing kpt #: 204 total cpu time spent up to now is 273.5 secs Computing kpt #: 205 total cpu time spent up to now is 274.7 secs Computing kpt #: 206 total cpu time spent up to now is 276.0 secs Computing kpt #: 207 total cpu time spent up to now is 277.3 secs Computing kpt #: 208 total cpu time spent up to now is 278.6 secs Computing kpt #: 209 total cpu time spent up to now is 279.9 secs Computing kpt #: 210 total cpu time spent up to now is 281.1 secs Computing kpt #: 211 total cpu time spent up to now is 282.4 secs Computing kpt #: 212 total cpu time spent up to now is 283.7 secs Computing kpt #: 213 total cpu time spent up to now is 284.9 secs Computing kpt #: 214 total cpu time spent up to now is 286.2 secs Computing kpt #: 215 total cpu time spent up to now is 287.6 secs Computing kpt #: 216 total cpu time spent up to now is 288.8 secs Computing kpt #: 217 total cpu time spent up to now is 290.1 secs Computing kpt #: 218 total cpu time spent up to now is 291.3 secs Computing kpt #: 219 total cpu time spent up to now is 292.6 secs Computing kpt #: 220 total cpu time spent up to now is 293.9 secs Computing kpt #: 221 total cpu time spent up to now is 295.2 secs Computing kpt #: 222 total cpu time spent up to now is 296.5 secs Computing kpt #: 223 total cpu time spent up to now is 297.9 secs Computing kpt #: 224 total cpu time spent up to now is 299.2 secs Computing kpt #: 225 total cpu time spent up to now is 300.5 secs Computing kpt #: 226 total cpu time spent up to now is 301.7 secs Computing kpt #: 227 total cpu time spent up to now is 303.0 secs Computing kpt #: 228 total cpu time spent up to now is 304.3 secs Computing kpt #: 229 total cpu time spent up to now is 305.6 secs Computing kpt #: 230 total cpu time spent up to now is 306.8 secs Computing kpt #: 231 total cpu time spent up to now is 308.1 secs Computing kpt #: 232 total cpu time spent up to now is 309.3 secs Computing kpt #: 233 total cpu time spent up to now is 310.6 secs Computing kpt #: 234 total cpu time spent up to now is 311.9 secs Computing kpt #: 235 total cpu time spent up to now is 313.1 secs Computing kpt #: 236 total cpu time spent up to now is 314.4 secs Computing kpt #: 237 total cpu time spent up to now is 315.7 secs Computing kpt #: 238 total cpu time spent up to now is 316.9 secs Computing kpt #: 239 total cpu time spent up to now is 318.2 secs Computing kpt #: 240 total cpu time spent up to now is 319.5 secs Computing kpt #: 241 total cpu time spent up to now is 320.8 secs Computing kpt #: 242 total cpu time spent up to now is 322.0 secs Computing kpt #: 243 total cpu time spent up to now is 323.3 secs Computing kpt #: 244 total cpu time spent up to now is 324.6 secs Computing kpt #: 245 total cpu time spent up to now is 325.9 secs Computing kpt #: 246 total cpu time spent up to now is 327.2 secs Computing kpt #: 247 total cpu time spent up to now is 328.5 secs Computing kpt #: 248 total cpu time spent up to now is 329.8 secs Computing kpt #: 249 total cpu time spent up to now is 331.0 secs Computing kpt #: 250 total cpu time spent up to now is 332.4 secs Computing kpt #: 251 total cpu time spent up to now is 333.7 secs Computing kpt #: 252 total cpu time spent up to now is 334.9 secs Computing kpt #: 253 total cpu time spent up to now is 336.3 secs Computing kpt #: 254 total cpu time spent up to now is 337.5 secs Computing kpt #: 255 total cpu time spent up to now is 338.8 secs Computing kpt #: 256 total cpu time spent up to now is 340.1 secs Computing kpt #: 257 total cpu time spent up to now is 341.4 secs Computing kpt #: 258 total cpu time spent up to now is 342.7 secs Computing kpt #: 259 total cpu time spent up to now is 343.9 secs Computing kpt #: 260 total cpu time spent up to now is 345.1 secs Computing kpt #: 261 total cpu time spent up to now is 346.3 secs Computing kpt #: 262 total cpu time spent up to now is 347.6 secs Computing kpt #: 263 total cpu time spent up to now is 348.8 secs Computing kpt #: 264 total cpu time spent up to now is 350.0 secs Computing kpt #: 265 total cpu time spent up to now is 351.2 secs Computing kpt #: 266 total cpu time spent up to now is 352.5 secs Computing kpt #: 267 total cpu time spent up to now is 353.7 secs Computing kpt #: 268 total cpu time spent up to now is 354.9 secs Computing kpt #: 269 total cpu time spent up to now is 356.2 secs Computing kpt #: 270 total cpu time spent up to now is 357.5 secs Computing kpt #: 271 total cpu time spent up to now is 358.8 secs Computing kpt #: 272 total cpu time spent up to now is 360.0 secs ethr = 1.67E-08, avg # of iterations = 19.0 total cpu time spent up to now is 360.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6637 PWs) bands (ev): -20.1042 -20.1042 -7.0982 -7.0982 -6.8182 -6.8182 -5.3995 -5.3995 -5.3647 -5.3647 -5.2740 -5.2740 -4.7271 -4.7271 -4.6661 -4.6661 -0.8596 -0.8596 1.8034 1.8034 2.0952 2.0952 2.1222 2.1222 2.3672 2.3672 2.6360 2.6360 3.1539 3.1539 3.3254 3.3254 3.4991 3.4991 3.5442 3.5442 3.5466 3.5466 3.7248 3.7248 3.8239 3.8239 4.6304 4.6304 4.6317 4.6317 5.1467 5.1467 5.2393 5.2393 5.2860 5.2860 5.8844 5.8844 6.0093 6.0093 6.0357 6.0357 6.4175 6.4175 8.1068 8.1068 10.2517 10.2517 10.4992 10.4992 11.2745 11.2745 11.7088 11.7088 11.7459 11.7459 k = 0.0000 0.0000 0.0197 ( 6641 PWs) bands (ev): -20.1042 -20.1042 -7.0983 -7.0983 -6.8208 -6.8148 -5.4138 -5.3904 -5.3632 -5.3617 -5.2774 -5.2714 -4.7307 -4.7294 -4.6757 -4.6500 -0.8591 -0.8590 1.8022 1.8064 2.0924 2.0940 2.1201 2.1218 2.3655 2.3700 2.6398 2.6424 3.1419 3.1650 3.3250 3.3270 3.4876 3.5047 3.5317 3.5439 3.5495 3.5619 3.7234 3.7266 3.8186 3.8310 4.6239 4.6263 4.6345 4.6381 5.1349 5.1515 5.2340 5.2415 5.2733 5.2952 5.8862 5.8930 6.0031 6.0060 6.0311 6.0331 6.4177 6.4195 8.1142 8.1159 10.2487 10.2508 10.4925 10.4945 11.2583 11.2681 11.6770 11.7233 11.7500 11.7658 k = 0.0000 0.0000 0.0394 ( 6657 PWs) bands (ev): -20.1042 -20.1042 -7.0987 -7.0985 -6.8227 -6.8110 -5.4298 -5.3893 -5.3603 -5.3520 -5.2817 -5.2697 -4.7416 -4.7341 -4.6769 -4.6310 -0.8574 -0.8572 1.8027 1.8112 2.0823 2.0874 2.1196 2.1207 2.3650 2.3737 2.6529 2.6588 3.1292 3.1751 3.3259 3.3299 3.4715 3.5051 3.5202 3.5446 3.5561 3.5803 3.7224 3.7286 3.8154 3.8395 4.6152 4.6217 4.6381 4.6436 5.1178 5.1480 5.2232 5.2434 5.2558 5.3027 5.8983 5.9107 5.9825 5.9900 6.0241 6.0291 6.4195 6.4233 8.1378 8.1411 10.2417 10.2461 10.4748 10.4785 11.2251 11.2408 11.6591 11.7151 11.7523 11.7825 k = 0.0000 0.0000 0.0591 ( 6655 PWs) bands (ev): -20.1042 -20.1042 -7.0993 -7.0987 -6.8237 -6.8069 -5.4463 -5.3923 -5.3574 -5.3398 -5.2870 -5.2686 -4.7566 -4.7395 -4.6726 -4.6109 -0.8547 -0.8541 1.8052 1.8178 2.0633 2.0727 2.1231 2.1237 2.3655 2.3781 2.6735 2.6840 3.1157 3.1843 3.3280 3.3339 3.4530 3.5022 3.5098 3.5469 3.5631 3.6003 3.7224 3.7310 3.8147 3.8490 4.6054 4.6166 4.6416 4.6481 5.0964 5.1364 5.2067 5.2333 5.2466 5.3097 5.9187 5.9329 5.9470 5.9587 6.0223 6.0274 6.4216 6.4276 8.1767 8.1814 10.2312 10.2377 10.4464 10.4514 11.1832 11.2009 11.6530 11.7076 11.7514 11.7808 k = 0.0000 0.0000 0.0788 ( 6663 PWs) bands (ev): -20.1042 -20.1042 -7.1003 -7.0988 -6.8237 -6.8026 -5.4626 -5.3970 -5.3547 -5.3287 -5.2932 -5.2677 -4.7722 -4.7446 -4.6659 -4.5907 -0.8508 -0.8500 1.8095 1.8262 2.0383 2.0510 2.1293 2.1313 2.3670 2.3831 2.6997 2.7161 3.1017 3.1922 3.3313 3.3389 3.4333 3.4975 3.4998 3.5507 3.5691 3.6215 3.7240 3.7338 3.8164 3.8589 4.5942 4.6109 4.6451 4.6517 5.0716 5.1177 5.1856 5.2065 5.2507 5.3162 5.8995 5.9118 5.9443 5.9566 6.0294 6.0304 6.4227 6.4307 8.2294 8.2351 10.2173 10.2260 10.4081 10.4140 11.1390 11.1565 11.6528 11.7013 11.7481 11.7771 k = 0.0000 0.0000 0.0985 ( 6657 PWs) bands (ev): -20.1041 -20.1041 -7.1016 -7.0987 -6.8228 -6.7982 -5.4783 -5.4024 -5.3528 -5.3207 -5.3003 -5.2665 -4.7862 -4.7491 -4.6580 -4.5708 -0.8459 -0.8446 1.8156 1.8362 2.0096 2.0248 2.1385 2.1413 2.3694 2.3887 2.7296 2.7533 3.0870 3.1988 3.3356 3.3445 3.4136 3.4899 3.4921 3.5559 3.5727 3.6439 3.7286 3.7369 3.8203 3.8692 4.5819 4.6046 4.6486 4.6543 5.0440 5.0937 5.1617 5.1770 5.2549 5.3223 5.8450 5.8600 5.9650 5.9658 6.0404 6.0556 6.4215 6.4317 8.2943 8.3007 10.2005 10.2114 10.3614 10.3676 11.0964 11.1126 11.6538 11.6940 11.7431 11.7730 k = 0.0000 0.0000 0.1182 ( 6667 PWs) bands (ev): -20.1041 -20.1041 -7.1032 -7.0983 -6.8209 -6.7941 -5.4935 -5.4082 -5.3518 -5.3174 -5.3079 -5.2646 -4.7973 -4.7526 -4.6497 -4.5514 -0.8401 -0.8382 1.8235 1.8480 1.9791 1.9959 2.1499 2.1533 2.3725 2.3948 2.7614 2.7936 3.0719 3.2037 3.3401 3.3498 3.3952 3.4799 3.4868 3.5626 3.5731 3.6674 3.7371 3.7402 3.8258 3.8794 4.5681 4.5975 4.6522 4.6558 5.0143 5.0652 5.1365 5.1463 5.2584 5.3276 5.7855 5.8029 5.9625 5.9749 6.0679 6.0950 6.4176 6.4297 8.3695 8.3762 10.1813 10.1945 10.3078 10.3140 11.0569 11.0714 11.6521 11.6832 11.7365 11.7675 k = 0.0000 0.0000 0.1379 ( 6663 PWs) bands (ev): -20.1041 -20.1041 -7.1049 -7.0975 -6.8182 -6.7903 -5.5079 -5.4143 -5.3525 -5.3194 -5.3156 -5.2618 -4.8047 -4.7549 -4.6413 -4.5326 -0.8333 -0.8306 1.8331 1.8613 1.9478 1.9655 2.1629 2.1668 2.3764 2.4016 2.7939 2.8355 3.0565 3.2067 3.3403 3.3540 3.3831 3.4696 3.4826 3.5702 3.5711 3.6918 3.7436 3.7505 3.8329 3.8895 4.5529 4.5896 4.6561 4.6562 4.9830 5.0330 5.1112 5.1158 5.2607 5.3320 5.7239 5.7431 5.9545 5.9733 6.1084 6.1419 6.4105 6.4244 8.4530 8.4597 10.1601 10.1756 10.2495 10.2554 11.0207 11.0335 11.6449 11.6673 11.7276 11.7577 k = 0.0000 0.0000 0.1575 ( 6659 PWs) bands (ev): -20.1041 -20.1041 -7.1067 -7.0961 -6.8146 -6.7871 -5.5216 -5.4208 -5.3559 -5.3265 -5.3223 -5.2589 -4.8075 -4.7560 -4.6329 -4.5145 -0.8257 -0.8220 1.8439 1.8762 1.9169 1.9345 2.1774 2.1814 2.3811 2.4091 2.8258 2.8776 3.0409 3.2076 3.3292 3.3558 3.3847 3.4590 3.4801 3.5647 3.5815 3.7162 3.7469 3.7695 3.8413 3.8994 4.5362 4.5807 4.6550 4.6605 4.9509 4.9978 5.0869 5.0870 5.2610 5.3350 5.6624 5.6829 5.9434 5.9664 6.1555 6.1926 6.4002 6.4154 8.5433 8.5496 10.1373 10.1554 10.1884 10.1940 10.9875 10.9986 11.6304 11.6453 11.7146 11.7404 k = 0.0000 0.0000 0.1772 ( 6651 PWs) bands (ev): -20.1040 -20.1040 -7.1085 -7.0942 -6.8102 -6.7845 -5.5344 -5.4276 -5.3628 -5.3380 -5.3270 -5.2568 -4.8054 -4.7556 -4.6245 -4.4973 -0.8172 -0.8125 1.8533 1.8894 1.8920 1.9042 2.1927 2.1968 2.3866 2.4173 2.8564 2.9186 3.0252 3.2065 3.3101 3.3543 3.3965 3.4483 3.4790 3.5586 3.5940 3.7389 3.7499 3.7947 3.8513 3.9092 4.5181 4.5710 4.6526 4.6654 4.9186 4.9606 5.0606 5.0643 5.2584 5.3359 5.6036 5.6248 5.9302 5.9563 6.2059 6.2454 6.3867 6.4028 8.6385 8.6442 10.1120 10.1265 10.1333 10.1344 10.9566 10.9663 11.6083 11.6168 11.6948 11.7133 k = 0.0000 0.0000 0.1969 ( 6648 PWs) bands (ev): -20.1040 -20.1040 -7.1102 -7.0917 -6.8053 -6.7826 -5.5465 -5.4349 -5.3732 -5.3533 -5.3299 -5.2557 -4.7985 -4.7537 -4.6164 -4.4807 -0.8080 -0.8021 1.8444 1.8722 1.8825 1.9111 2.2086 2.2126 2.3929 2.4263 2.8849 2.9573 3.0098 3.2035 3.2880 3.3492 3.4118 3.4391 3.4771 3.5548 3.6086 3.7523 3.7586 3.8244 3.8648 3.9189 4.4985 4.5601 4.6483 4.6711 4.8869 4.9224 5.0373 5.0442 5.2515 5.3331 5.5502 5.5713 5.9153 5.9441 6.2577 6.2993 6.3703 6.3866 8.7371 8.7420 10.0655 10.0662 10.0935 10.1129 10.9274 10.9360 11.5785 11.5813 11.6665 11.6764 k = 0.0000 0.0000 0.2166 ( 6650 PWs) bands (ev): -20.1039 -20.1039 -7.1116 -7.0884 -6.7998 -6.7816 -5.5579 -5.4430 -5.3860 -5.3715 -5.3316 -5.2558 -4.7870 -4.7504 -4.6085 -4.4650 -0.7981 -0.7909 1.8182 1.8423 1.8956 1.9301 2.2246 2.2283 2.4001 2.4361 2.9106 2.9930 2.9949 3.1987 3.2646 3.3410 3.4162 3.4435 3.4713 3.5562 3.6253 3.7538 3.7752 3.8510 3.8886 3.9289 4.4776 4.5480 4.6423 4.6778 4.8566 4.8847 5.0174 5.0270 5.2384 5.3242 5.5052 5.5261 5.8990 5.9301 6.3081 6.3527 6.3533 6.3668 8.8377 8.8414 10.0070 10.0079 10.0684 10.0915 10.8996 10.9073 11.5387 11.5414 11.6298 11.6316 k = 0.0000 0.0000 0.2363 ( 6646 PWs) bands (ev): -20.1039 -20.1039 -7.1127 -7.0843 -6.7940 -6.7816 -5.5687 -5.4527 -5.4004 -5.3914 -5.3329 -5.2568 -4.7715 -4.7457 -4.6010 -4.4499 -0.7876 -0.7789 1.7903 1.8133 1.9129 1.9503 2.2404 2.2437 2.4081 2.4468 2.9321 2.9819 3.0250 3.1925 3.2405 3.3306 3.4061 3.4601 3.4644 3.5638 3.6440 3.7541 3.7886 3.8686 3.9275 3.9397 4.4554 4.5341 4.6347 4.6856 4.8285 4.8489 5.0013 5.0130 5.2177 5.3063 5.4710 5.4927 5.8813 5.9145 6.3211 6.3431 6.3693 6.4070 8.9385 8.9410 9.9522 9.9525 10.0447 10.0704 10.8730 10.8800 11.4894 11.4972 11.5817 11.5864 k = 0.0000 0.0000 0.2560 ( 6644 PWs) bands (ev): -20.1039 -20.1039 -7.1134 -7.0793 -6.7879 -6.7825 -5.5792 -5.4653 -5.4157 -5.4110 -5.3340 -5.2586 -4.7527 -4.7397 -4.5937 -4.4356 -0.7766 -0.7664 1.7630 1.7852 1.9319 1.9715 2.2555 2.2584 2.4170 2.4582 2.9443 2.9758 3.0528 3.1849 3.2160 3.3189 3.3933 3.4445 3.4888 3.5762 3.6642 3.7530 3.7988 3.8830 3.9518 3.9744 4.4322 4.5175 4.6262 4.6946 4.8037 4.8167 4.9892 5.0025 5.1896 5.2786 5.4483 5.4726 5.8624 5.8974 6.2970 6.3162 6.4192 6.4595 9.0380 9.0391 9.9020 9.9027 10.0218 10.0501 10.8475 10.8539 11.4338 11.4462 11.5293 11.5388 k = 0.0000 0.0000 0.2757 ( 6648 PWs) bands (ev): -20.1038 -20.1038 -7.1135 -7.0735 -6.7846 -6.7818 -5.5895 -5.4827 -5.4314 -5.4279 -5.3351 -5.2609 -4.7324 -4.7313 -4.5868 -4.4220 -0.7650 -0.7534 1.7369 1.7583 1.9522 1.9933 2.2698 2.2722 2.4267 2.4705 2.9397 2.9843 3.0761 3.1758 3.1918 3.3064 3.3799 3.4260 3.5137 3.5913 3.6849 3.7507 3.8054 3.8972 3.9658 4.0249 4.4081 4.4971 4.6185 4.7046 4.7833 4.7893 4.9810 4.9958 5.1563 5.2439 5.4352 5.4634 5.8425 5.8790 6.2681 6.2859 6.4695 6.5103 9.1337 9.1342 9.8582 9.8600 9.9997 10.0307 10.8231 10.8291 11.3728 11.3891 11.4765 11.4895 k = 0.0000 0.0000 0.2954 ( 6646 PWs) bands (ev): -20.1038 -20.1038 -7.1131 -7.0668 -6.7877 -6.7757 -5.5999 -5.5056 -5.4471 -5.4408 -5.3363 -5.2636 -4.7240 -4.7078 -4.5802 -4.4091 -0.7531 -0.7400 1.7120 1.7327 1.9733 2.0156 2.2829 2.2848 2.4371 2.4837 2.9280 2.9975 3.0941 3.1630 3.1715 3.2939 3.3667 3.4059 3.5379 3.6074 3.7036 3.7484 3.8086 3.9117 3.9825 4.0766 4.3836 4.4719 4.6143 4.7142 4.7675 4.7695 4.9766 4.9931 5.1209 5.2064 5.4293 5.4612 5.8216 5.8594 6.2360 6.2524 6.5180 6.5589 9.2224 9.2245 9.8231 9.8262 9.9788 10.0124 10.7999 10.8058 11.3076 11.3268 11.4252 11.4405 k = 0.0000 0.0000 0.3151 ( 6642 PWs) bands (ev): -20.1037 -20.1037 -7.1119 -7.0591 -6.7919 -6.7698 -5.6108 -5.5325 -5.4622 -5.4506 -5.3374 -5.2667 -4.7147 -4.6828 -4.5741 -4.3969 -0.7408 -0.7263 1.6885 1.7084 1.9948 2.0380 2.2946 2.2962 2.4482 2.4976 2.9153 3.0096 3.1026 3.1459 3.1601 3.2819 3.3541 3.3851 3.5608 3.6235 3.7147 3.7503 3.8087 3.9263 4.0022 4.1270 4.3590 4.4418 4.6162 4.7201 4.7513 4.7665 4.9755 4.9944 5.0866 5.1692 5.4281 5.4631 5.7998 5.8386 6.2012 6.2160 6.5639 6.6044 9.3015 9.3052 9.7995 9.8041 9.9590 9.9953 10.7783 10.7843 11.2396 11.2608 11.3768 11.3935 k = 0.0000 0.0000 0.3348 ( 6644 PWs) bands (ev): -20.1037 -20.1037 -7.1101 -7.0505 -6.7972 -6.7642 -5.6224 -5.5615 -5.4763 -5.4587 -5.3386 -5.2700 -4.7046 -4.6569 -4.5683 -4.3853 -0.7283 -0.7125 1.6664 1.6855 2.0163 2.0601 2.3050 2.3064 2.4599 2.5123 2.9025 3.0196 3.0927 3.1357 3.1557 3.2707 3.3426 3.3643 3.5821 3.6386 3.7131 3.7602 3.8059 3.9404 4.0250 4.1738 4.3349 4.4080 4.6263 4.7207 4.7400 4.7760 4.9759 4.9999 5.0569 5.1341 5.4300 5.4674 5.7773 5.8168 6.1639 6.1767 6.6065 6.6464 9.3667 9.3720 9.7912 9.7975 9.9405 9.9794 10.7586 10.7648 11.1705 11.1929 11.3325 11.3499 k = 0.0000 0.0000 0.3545 ( 6640 PWs) bands (ev): -20.1036 -20.1036 -7.1074 -7.0409 -6.8035 -6.7591 -5.6351 -5.5914 -5.4891 -5.4656 -5.3397 -5.2734 -4.6939 -4.6304 -4.5629 -4.3743 -0.7156 -0.6987 1.6458 1.6639 2.0373 2.0815 2.3139 2.3157 2.4721 2.5277 2.8897 3.0273 3.0703 3.1247 3.1605 3.2603 3.3328 3.3444 3.6016 3.6518 3.7043 3.7722 3.8009 3.9536 4.0504 4.2146 4.3117 4.3725 4.6458 4.7203 4.7333 4.7935 4.9729 5.0093 5.0379 5.1031 5.4337 5.4730 5.7543 5.7941 6.1244 6.1349 6.6452 6.6843 9.4137 9.4201 9.8017 9.8096 9.9232 9.9648 10.7413 10.7478 11.1023 11.1249 11.2929 11.3103 k = 0.0000 0.0000 0.3742 ( 6644 PWs) bands (ev): -20.1036 -20.1036 -7.1040 -7.0304 -6.8108 -6.7547 -5.6490 -5.6215 -5.5001 -5.4720 -5.3407 -5.2771 -4.6828 -4.6039 -4.5577 -4.3641 -0.7029 -0.6851 1.6266 1.6437 2.0572 2.1016 2.3217 2.3243 2.4848 2.5438 2.8768 3.0328 3.0443 3.1105 3.1684 3.2506 3.3251 3.3264 3.6192 3.6624 3.6923 3.7821 3.7941 3.9651 4.0772 4.2477 4.2902 4.3374 4.6745 4.7222 4.7307 4.8149 4.9599 5.0199 5.0373 5.0800 5.4386 5.4793 5.7308 5.7707 6.0829 6.0908 6.6792 6.7174 9.4419 9.4486 9.8308 9.8400 9.9074 9.9511 10.7267 10.7339 11.0368 11.0591 11.2585 11.2754 k = 0.0000 0.0000 0.3939 ( 6640 PWs) bands (ev): -20.1035 -20.1035 -7.0998 -7.0191 -6.8191 -6.7510 -5.6640 -5.6509 -5.5092 -5.4779 -5.3415 -5.2808 -4.6714 -4.5782 -4.5523 -4.3545 -0.6901 -0.6717 1.6088 1.6249 2.0755 2.1199 2.3288 2.3328 2.4978 2.5604 2.8639 3.0172 3.0364 3.0942 3.1762 3.2407 3.3116 3.3196 3.6349 3.6696 3.6789 3.7861 3.7888 3.9745 4.1043 4.2710 4.2712 4.3060 4.7102 4.7273 4.7324 4.8380 4.9406 5.0204 5.0527 5.0772 5.4440 5.4859 5.7070 5.7465 6.0399 6.0447 6.7081 6.7452 9.4555 9.4619 9.8707 9.8834 9.8952 9.9384 10.7155 10.7238 10.9759 10.9974 11.2297 11.2454 k = 0.0000 0.0000 0.4136 ( 6650 PWs) bands (ev): -20.1035 -20.1035 -7.0947 -7.0068 -6.8282 -6.7483 -5.6802 -5.6794 -5.5166 -5.4834 -5.3422 -5.2846 -4.6599 -4.5576 -4.5427 -4.3457 -0.6775 -0.6586 1.5925 1.6074 2.0915 2.1355 2.3357 2.3417 2.5111 2.5776 2.8507 2.9897 3.0382 3.0766 3.1833 3.2301 3.3011 3.3163 3.6468 3.6667 3.6726 3.7778 3.7923 3.9809 4.1303 4.2548 4.2677 4.2981 4.7333 4.7351 4.7546 4.8613 4.9215 5.0071 5.0791 5.0997 5.4494 5.4924 5.6831 5.7219 5.9956 5.9971 6.7313 6.7671 9.4605 9.4663 9.8750 9.9237 9.9256 9.9353 10.7084 10.7182 10.9214 10.9418 11.2063 11.2206 k = 0.0000 0.0000 0.4332 ( 6666 PWs) bands (ev): -20.1034 -20.1034 -7.0888 -6.9937 -6.8382 -6.7467 -5.7064 -5.6971 -5.5223 -5.4886 -5.3426 -5.2884 -4.6485 -4.5498 -4.5214 -4.3377 -0.6652 -0.6462 1.5776 1.5914 2.1045 2.1481 2.3429 2.3516 2.5246 2.5951 2.8374 2.9624 3.0383 3.0579 3.1895 3.2185 3.2953 3.3150 3.6430 3.6684 3.6709 3.7697 3.7929 3.9838 4.1535 4.2427 4.2446 4.3089 4.7404 4.7447 4.7963 4.8833 4.9057 4.9929 5.1149 5.1357 5.4543 5.4984 5.6592 5.6969 5.9483 5.9505 6.7484 6.7829 9.4615 9.4667 9.8624 9.9132 9.9736 9.9831 10.7062 10.7181 10.8747 10.8939 11.1881 11.2008 k = 0.0000 0.0000 0.4529 ( 6654 PWs) bands (ev): -20.1034 -20.1034 -7.0820 -6.9798 -6.8489 -6.7463 -5.7317 -5.7144 -5.5266 -5.4935 -5.3428 -5.2923 -4.6372 -4.5462 -4.4974 -4.3306 -0.6531 -0.6344 1.5641 1.5768 2.1145 2.1569 2.3512 2.3629 2.5383 2.6128 2.8241 2.9355 3.0366 3.0386 3.1950 3.2069 3.2938 3.3155 3.6290 3.6644 3.6791 3.7622 3.7913 3.9826 4.1718 4.2251 4.2364 4.3176 4.7474 4.7549 4.8372 4.8953 4.9030 4.9836 5.1598 5.1801 5.4584 5.5037 5.6357 5.6718 5.8990 5.9053 6.7593 6.7922 9.4613 9.4661 9.8499 9.9010 10.0186 10.0287 10.7095 10.7241 10.8370 10.8554 11.1745 11.1857 k = 0.0000 0.0000 0.4726 ( 6656 PWs) bands (ev): -20.1034 -20.1034 -7.0745 -6.9653 -6.8602 -6.7472 -5.7548 -5.7317 -5.5297 -5.4982 -5.3427 -5.2961 -4.6263 -4.5438 -4.4738 -4.3245 -0.6416 -0.6234 1.5520 1.5635 2.1212 2.1619 2.3607 2.3757 2.5519 2.6305 2.8112 2.9093 3.0189 3.0327 3.1966 3.1998 3.2955 3.3172 3.6139 3.6538 3.6899 3.7553 3.7882 3.9773 4.1827 4.2109 4.2381 4.3235 4.7531 4.7637 4.8747 4.8923 4.9199 4.9818 5.2127 5.2305 5.4608 5.5076 5.6128 5.6468 5.8500 5.8606 6.7638 6.7950 9.4614 9.4658 9.8379 9.8884 10.0581 10.0685 10.7191 10.7369 10.8094 10.8274 11.1649 11.1747 k = 0.0000 0.0000 0.4923 ( 6656 PWs) bands (ev): -20.1033 -20.1033 -7.0661 -6.9502 -6.8722 -6.7496 -5.7755 -5.7488 -5.5319 -5.5026 -5.3422 -5.3000 -4.6157 -4.5421 -4.4513 -4.3194 -0.6306 -0.6133 1.5413 1.5516 2.1251 2.1634 2.3715 2.3896 2.5652 2.6478 2.7992 2.8843 2.9991 3.0262 3.1888 3.2040 3.2995 3.3198 3.5991 3.6400 3.6997 3.7487 3.7846 3.9681 4.1863 4.2017 4.2472 4.3274 4.7558 4.7696 4.8961 4.9106 4.9349 4.9881 5.2716 5.2847 5.4609 5.5097 5.5908 5.6224 5.8024 5.8172 6.7622 6.7915 9.4623 9.4663 9.8267 9.8753 10.0913 10.1015 10.7354 10.7564 10.7926 10.8113 11.1584 11.1671 k = 0.0000 0.0000 0.5120 ( 6646 PWs) bands (ev): -20.1033 -20.1033 -7.0570 -6.9345 -6.8845 -6.7536 -5.7937 -5.7652 -5.5332 -5.5067 -5.3415 -5.3038 -4.6057 -4.5412 -4.4301 -4.3155 -0.6204 -0.6043 1.5320 1.5410 2.1268 2.1619 2.3833 2.4041 2.5781 2.6643 2.7890 2.8610 2.9797 3.0168 3.1842 3.2077 3.3050 3.3232 3.5851 3.6242 3.7080 3.7422 3.7817 3.9560 4.1867 4.1966 4.2595 4.3297 4.7552 4.7717 4.9091 4.9426 4.9502 5.0010 5.3337 5.3397 5.4575 5.5091 5.5703 5.5992 5.7577 5.7763 6.7551 6.7822 9.4641 9.4677 9.8163 9.8619 10.1181 10.1277 10.7578 10.7796 10.7878 10.8102 11.1542 11.1621 k = 0.0000 0.0000 0.5317 ( 6646 PWs) bands (ev): -20.1033 -20.1033 -7.0473 -6.9185 -6.8973 -6.7591 -5.8090 -5.7807 -5.5338 -5.5106 -5.3404 -5.3076 -4.5963 -4.5409 -4.4104 -4.3128 -0.6110 -0.5965 1.5240 1.5318 2.1269 2.1582 2.3955 2.4183 2.5905 2.6789 2.7811 2.8401 2.9612 3.0046 3.1828 3.2106 3.3115 3.3269 3.5721 3.6074 3.7140 3.7359 3.7810 3.9417 4.1866 4.1943 4.2720 4.3308 4.7524 4.7701 4.9270 4.9668 4.9742 5.0183 5.3914 5.3961 5.4494 5.5054 5.5527 5.5782 5.7181 5.7390 6.7434 6.7681 9.4666 9.4698 9.8070 9.8484 10.1390 10.1476 10.7796 10.7971 10.8013 10.8329 11.1514 11.1593 k = 0.0000 0.0000 0.5514 ( 6656 PWs) bands (ev): -20.1032 -20.1032 -7.0368 -6.9106 -6.9021 -6.7662 -5.8215 -5.7950 -5.5339 -5.5142 -5.3390 -5.3113 -4.5876 -4.5414 -4.3923 -4.3115 -0.6025 -0.5900 1.5174 1.5239 2.1261 2.1531 2.4078 2.4314 2.6023 2.6903 2.7762 2.8226 2.9440 2.9902 3.1840 3.2126 3.3184 3.3308 3.5604 3.5907 3.7170 3.7298 3.7838 3.9261 4.1870 4.1937 4.2834 4.3309 4.7487 4.7661 4.9470 4.9834 5.0064 5.0397 5.4289 5.4343 5.4566 5.5026 5.5410 5.5606 5.6860 5.7065 6.7284 6.7503 9.4695 9.4723 9.7992 9.8352 10.1548 10.1621 10.7961 10.8133 10.8367 10.8729 11.1495 11.1579 k = 0.0000 0.0000 0.5711 ( 6644 PWs) bands (ev): -20.1032 -20.1032 -7.0257 -6.9237 -6.8859 -6.7750 -5.8310 -5.8079 -5.5335 -5.5175 -5.3374 -5.3149 -4.5795 -4.5426 -4.3760 -4.3117 -0.5951 -0.5847 1.5122 1.5174 2.1252 2.1473 2.4195 2.4423 2.6138 2.6965 2.7746 2.8099 2.9290 2.9744 3.1872 3.2136 3.3253 3.3347 3.5503 3.5749 3.7173 3.7243 3.7907 3.9097 4.1879 4.1939 4.2934 4.3302 4.7452 4.7608 4.9664 4.9977 5.0400 5.0648 5.4145 5.4312 5.5073 5.5089 5.5450 5.5494 5.6634 5.6799 6.7121 6.7306 9.4726 9.4749 9.7931 9.8229 10.1664 10.1723 10.8169 10.8345 10.8824 10.9206 11.1480 11.1578 k = 0.0000 0.0000 0.5908 ( 6638 PWs) bands (ev): -20.1032 -20.1032 -7.0141 -6.9370 -6.8697 -6.7852 -5.8375 -5.8190 -5.5326 -5.5206 -5.3354 -5.3183 -4.5722 -4.5445 -4.3615 -4.3135 -0.5890 -0.5810 1.5082 1.5121 2.1246 2.1415 2.4303 2.4502 2.6254 2.6958 2.7762 2.8027 2.9175 2.9581 3.1916 3.2135 3.3316 3.3382 3.5424 3.5608 3.7159 3.7196 3.8009 3.8929 4.1892 4.1942 4.3020 4.3287 4.7427 4.7553 4.9836 5.0083 5.0745 5.0923 5.3899 5.4079 5.5081 5.5237 5.5677 5.5707 5.6502 5.6596 6.6964 6.7110 9.4754 9.4772 9.7889 9.8118 10.1747 10.1791 10.8421 10.8590 10.9344 10.9718 11.1468 11.1590 k = 0.0000 0.0000 0.6105 ( 6642 PWs) bands (ev): -20.1032 -20.1032 -7.0020 -6.9503 -6.8537 -6.7968 -5.8410 -5.8281 -5.5314 -5.5233 -5.3331 -5.3217 -4.5656 -4.5472 -4.3488 -4.3169 -0.5841 -0.5786 1.5056 1.5082 2.1247 2.1361 2.4398 2.4546 2.6376 2.6886 2.7803 2.7993 2.9109 2.9422 3.1965 3.2121 3.3369 3.3411 3.5370 3.5492 3.7141 3.7160 3.8135 3.8760 4.1907 4.1943 4.3091 4.3265 4.7413 4.7502 4.9977 5.0147 5.1076 5.1192 5.3646 5.3779 5.5048 5.5168 5.5959 5.6004 5.6453 5.6458 6.6837 6.6939 9.4777 9.4789 9.7870 9.8025 10.1803 10.1832 10.8682 10.8824 10.9893 11.0206 11.1458 11.1610 k = 0.0000 0.0000 0.6302 ( 6650 PWs) bands (ev): -20.1032 -20.1032 -6.9895 -6.9636 -6.8383 -6.8096 -5.8417 -5.8351 -5.5299 -5.5258 -5.3306 -5.3248 -4.5598 -4.5506 -4.3380 -4.3221 -0.5805 -0.5778 1.5043 1.5056 2.1258 2.1316 2.4475 2.4554 2.6506 2.6773 2.7860 2.7963 2.9106 2.9279 3.2014 3.2095 3.3407 3.3426 3.5346 3.5407 3.7128 3.7136 3.8278 3.8594 4.1921 4.1940 4.3149 4.3235 4.7415 4.7460 5.0080 5.0167 5.1343 5.1400 5.3447 5.3516 5.5035 5.5098 5.6111 5.6189 5.6409 5.6460 6.6762 6.6814 9.4793 9.4799 9.7873 9.7952 10.1837 10.1852 10.8902 10.8986 11.0391 11.0569 11.1465 11.1609 k = 0.0000 0.0000 0.6499 ( 6636 PWs) bands (ev): -20.1032 -20.1032 -6.9767 -6.9767 -6.8235 -6.8235 -5.8397 -5.8397 -5.5280 -5.5280 -5.3278 -5.3278 -4.5548 -4.5548 -4.3292 -4.3292 -0.5784 -0.5784 1.5043 1.5043 2.1282 2.1282 2.4529 2.4529 2.6641 2.6641 2.7918 2.7918 2.9168 2.9168 3.2059 3.2059 3.3426 3.3426 3.5358 3.5358 3.7126 3.7126 3.8432 3.8432 4.1933 4.1933 4.3197 4.3197 4.7430 4.7430 5.0145 5.0145 5.1467 5.1467 5.3387 5.3387 5.5052 5.5052 5.6186 5.6186 5.6452 5.6452 6.6752 6.6752 9.4800 9.4800 9.7901 9.7901 10.1853 10.1853 10.9017 10.9017 11.0662 11.0662 11.1531 11.1531 k = 0.0000 0.0000 0.6499 ( 6636 PWs) bands (ev): -20.1032 -20.1032 -6.9767 -6.9767 -6.8235 -6.8235 -5.8397 -5.8397 -5.5280 -5.5280 -5.3278 -5.3278 -4.5548 -4.5548 -4.3292 -4.3292 -0.5784 -0.5784 1.5043 1.5043 2.1282 2.1282 2.4529 2.4529 2.6641 2.6641 2.7918 2.7918 2.9168 2.9168 3.2059 3.2059 3.3426 3.3426 3.5358 3.5358 3.7126 3.7126 3.8432 3.8432 4.1933 4.1933 4.3197 4.3197 4.7430 4.7430 5.0145 5.0145 5.1467 5.1467 5.3387 5.3387 5.5052 5.5052 5.6186 5.6186 5.6452 5.6452 6.6752 6.6752 9.4800 9.4800 9.7901 9.7901 10.1853 10.1853 10.9017 10.9017 11.0662 11.0662 11.1531 11.1531 k =-0.0151 0.0125 0.6499 ( 6644 PWs) bands (ev): -20.1032 -20.1032 -6.9834 -6.9700 -6.8349 -6.8120 -5.8448 -5.8352 -5.5479 -5.5066 -5.3304 -5.3264 -4.5719 -4.5383 -4.3306 -4.3267 -0.5803 -0.5778 1.5053 1.5077 2.1284 2.1286 2.4493 2.4577 2.6609 2.6681 2.7845 2.7966 2.9159 2.9203 3.2034 3.2069 3.3376 3.3477 3.5297 3.5423 3.7120 3.7140 3.8428 3.8448 4.1853 4.1986 4.3128 4.3253 4.7407 4.7449 4.9838 5.0253 5.1427 5.1493 5.3376 5.3538 5.5024 5.5031 5.5678 5.6007 5.6737 5.6928 6.6722 6.6758 9.4790 9.4793 9.7905 9.7938 10.1874 10.1874 10.9035 10.9064 11.0631 11.0687 11.1412 11.1554 k =-0.0302 0.0251 0.6499 ( 6658 PWs) bands (ev): -20.1032 -20.1032 -6.9900 -6.9636 -6.8460 -6.8007 -5.8503 -5.8318 -5.5657 -5.4841 -5.3341 -5.3262 -4.5890 -4.5226 -4.3307 -4.3234 -0.5833 -0.5783 1.5108 1.5157 2.1294 2.1298 2.4471 2.4636 2.6590 2.6725 2.7746 2.7993 2.9177 2.9264 3.1998 3.2062 3.3327 3.3525 3.5239 3.5487 3.7127 3.7158 3.8443 3.8473 4.1750 4.2011 4.3049 4.3296 4.7381 4.7464 4.9395 5.0151 5.1371 5.1504 5.3498 5.3767 5.4956 5.4963 5.5230 5.5594 5.7324 5.7438 6.6666 6.6738 9.4763 9.4768 9.7952 9.8016 10.1935 10.1935 10.9120 10.9176 11.0589 11.0704 11.1201 11.1464 k =-0.0453 0.0376 0.6499 ( 6662 PWs) bands (ev): -20.1032 -20.1032 -6.9964 -6.9577 -6.8564 -6.7898 -5.8560 -5.8299 -5.5810 -5.4611 -5.3387 -5.3272 -4.6057 -4.5082 -4.3295 -4.3195 -0.5873 -0.5801 1.5206 1.5280 2.1311 2.1318 2.4464 2.4707 2.6586 2.6766 2.7626 2.8007 2.9217 2.9346 3.1952 3.2034 3.3286 3.3572 3.5185 3.5548 3.7152 3.7174 3.8483 3.8502 4.1624 4.2008 4.2958 4.3323 4.7350 4.7471 4.8875 4.9888 5.1303 5.1501 5.3640 5.3983 5.4786 5.4879 5.4965 5.5219 5.7946 5.7986 6.6586 6.6693 9.4721 9.4726 9.8040 9.8132 10.2035 10.2035 10.9271 10.9351 11.0520 11.0694 11.0913 11.1247 k =-0.0604 0.0502 0.6499 ( 6670 PWs) bands (ev): -20.1032 -20.1032 -7.0024 -6.9529 -6.8655 -6.7793 -5.8616 -5.8298 -5.5933 -5.4382 -5.3441 -5.3292 -4.6216 -4.4952 -4.3266 -4.3151 -0.5925 -0.5831 1.5346 1.5447 2.1335 2.1344 2.4473 2.4787 2.6595 2.6795 2.7491 2.8021 2.9275 2.9445 3.1897 3.1982 3.3255 3.3616 3.5133 3.5600 3.7186 3.7198 3.8533 3.8552 4.1478 4.1975 4.2859 4.3336 4.7311 4.7467 4.8320 4.9526 5.1226 5.1484 5.3614 5.4042 5.4521 5.4801 5.4984 5.4988 5.8574 5.8599 6.6479 6.6622 9.4665 9.4667 9.8168 9.8283 10.2172 10.2173 10.9489 10.9582 11.0382 11.0444 11.0758 11.0939 k =-0.0756 0.0627 0.6499 ( 6662 PWs) bands (ev): -20.1031 -20.1031 -7.0081 -6.9499 -6.8726 -6.7695 -5.8670 -5.8319 -5.6025 -5.4167 -5.3500 -5.3316 -4.6362 -4.4838 -4.3221 -4.3103 -0.5985 -0.5873 1.5527 1.5655 2.1367 2.1378 2.4499 2.4878 2.6612 2.6803 2.7353 2.8047 2.9345 2.9558 3.1836 3.1903 3.3239 3.3658 3.5081 3.5637 3.7193 3.7267 3.8565 3.8656 4.1315 4.1913 4.2751 4.3332 4.7245 4.7450 4.7771 4.9111 5.1147 5.1455 5.3366 5.3872 5.4273 5.4515 5.5156 5.5205 5.9203 5.9280 6.6347 6.6526 9.4594 9.4596 9.8332 9.8467 10.2343 10.2346 10.9759 10.9763 11.0065 11.0066 11.0677 11.0732 k =-0.0907 0.0753 0.6499 ( 6662 PWs) bands (ev): -20.1031 -20.1031 -7.0132 -6.9494 -6.8768 -6.7605 -5.8723 -5.8364 -5.6085 -5.3988 -5.3562 -5.3325 -4.6489 -4.4740 -4.3160 -4.3052 -0.6055 -0.5926 1.5747 1.5903 2.1405 2.1418 2.4543 2.4978 2.6615 2.6779 2.7236 2.8092 2.9425 2.9680 3.1768 3.1798 3.3239 3.3698 3.5026 3.5650 3.7199 3.7360 3.8598 3.8792 4.1138 4.1823 4.2636 4.3311 4.7013 4.7380 4.7415 4.8670 5.1071 5.1417 5.3015 5.3572 5.3994 5.4203 5.5445 5.5522 5.9870 5.9986 6.6188 6.6402 9.4506 9.4516 9.8530 9.8679 10.2546 10.2550 10.9292 10.9490 11.0140 11.0267 11.0522 11.0729 k =-0.1058 0.0878 0.6499 ( 6658 PWs) bands (ev): -20.1031 -20.1031 -7.0179 -6.9518 -6.8776 -6.7523 -5.8774 -5.8430 -5.6118 -5.3888 -5.3623 -5.3282 -4.6593 -4.4656 -4.3086 -4.3000 -0.6133 -0.5990 1.6002 1.6188 2.1451 2.1465 2.4604 2.5089 2.6565 2.6721 2.7183 2.8163 2.9511 2.9809 3.1668 3.1698 3.3255 3.3737 3.4969 3.5637 3.7209 3.7475 3.8632 3.8958 4.0950 4.1706 4.2513 4.3273 4.6511 4.7259 4.7355 4.8221 5.1001 5.1371 5.2635 5.3221 5.3676 5.3880 5.5761 5.5868 6.0571 6.0711 6.6002 6.6252 9.4405 9.4423 9.8758 9.8915 10.2776 10.2782 10.8641 10.8833 11.0334 11.0430 11.0612 11.0916 k =-0.1209 0.1004 0.6499 ( 6662 PWs) bands (ev): -20.1031 -20.1031 -7.0221 -6.9569 -6.8754 -6.7450 -5.8821 -5.8515 -5.6131 -5.3896 -5.3680 -5.3160 -4.6670 -4.4583 -4.3000 -4.2948 -0.6218 -0.6065 1.6290 1.6508 2.1504 2.1519 2.4685 2.5210 2.6434 2.6627 2.7221 2.8260 2.9599 2.9946 3.1519 3.1629 3.3285 3.3774 3.4907 3.5591 3.7226 3.7608 3.8668 3.9150 4.0754 4.1566 4.2381 4.3216 4.5968 4.7182 4.7261 4.7781 5.0941 5.1320 5.2251 5.2846 5.3326 5.3543 5.6082 5.6213 6.1300 6.1451 6.5789 6.6075 9.4289 9.4318 9.9010 9.9172 10.3031 10.3039 10.7941 10.8118 11.0203 11.0361 11.1092 11.1374 k =-0.1360 0.1129 0.6499 ( 6648 PWs) bands (ev): -20.1031 -20.1031 -7.0256 -6.9637 -6.8709 -6.7387 -5.8866 -5.8613 -5.6134 -5.3984 -5.3726 -5.2992 -4.6715 -4.4518 -4.2907 -4.2895 -0.6309 -0.6149 1.6608 1.6860 2.1563 2.1579 2.4783 2.5344 2.6245 2.6501 2.7331 2.8379 2.9684 3.0088 3.1355 3.1565 3.3325 3.3809 3.4841 3.5513 3.7253 3.7751 3.8708 3.9359 4.0557 4.1407 4.2242 4.3142 4.5435 4.7093 4.7100 4.7394 5.0887 5.1265 5.1876 5.2461 5.2953 5.3198 5.6399 5.6548 6.2052 6.2204 6.5550 6.5872 9.4158 9.4198 9.9280 9.9443 10.3306 10.3318 10.7221 10.7383 11.0040 11.0212 11.1655 11.1942 k =-0.1511 0.1255 0.6499 ( 6648 PWs) bands (ev): -20.1030 -20.1030 -7.0286 -6.9714 -6.8650 -6.7334 -5.8909 -5.8720 -5.6136 -5.4121 -5.3758 -5.2811 -4.6725 -4.4458 -4.2843 -4.2809 -0.6407 -0.6242 1.6953 1.7242 2.1629 2.1645 2.4899 2.5488 2.6023 2.6347 2.7489 2.8515 2.9759 3.0234 3.1182 3.1514 3.3373 3.3840 3.4773 3.5404 3.7291 3.7895 3.8756 3.9570 4.0369 4.1232 4.2097 4.3050 4.4922 4.6764 4.7002 4.7151 5.0827 5.1206 5.1525 5.2069 5.2567 5.2854 5.6709 5.6869 6.2818 6.2964 6.5286 6.5642 9.4008 9.4059 9.9562 9.9723 10.3598 10.3615 10.6506 10.6657 10.9859 11.0024 11.2278 11.2580 k =-0.1662 0.1380 0.6499 ( 6650 PWs) bands (ev): -20.1030 -20.1030 -7.0309 -6.9794 -6.8583 -6.7291 -5.8950 -5.8831 -5.6148 -5.4290 -5.3769 -5.2634 -4.6699 -4.4399 -4.2792 -4.2709 -0.6509 -0.6344 1.7322 1.7651 2.1701 2.1716 2.5030 2.5630 2.5794 2.6172 2.7683 2.8663 2.9816 3.0380 3.1010 3.1484 3.3425 3.3868 3.4705 3.5269 3.7339 3.8029 3.8816 3.9744 4.0224 4.1046 4.1950 4.2942 4.4433 4.6354 4.6884 4.6973 5.0715 5.1139 5.1240 5.1674 5.2181 5.2522 5.7010 5.7175 6.3593 6.3727 6.4999 6.5389 9.3836 9.3899 9.9846 10.0002 10.3904 10.3926 10.5822 10.5964 10.9668 10.9816 11.2912 11.3091 k =-0.1813 0.1506 0.6499 ( 6652 PWs) bands (ev): -20.1030 -20.1030 -7.0326 -6.9873 -6.8510 -6.7259 -5.8988 -5.8943 -5.6175 -5.4485 -5.3755 -5.2469 -4.6635 -4.4340 -4.2742 -4.2610 -0.6616 -0.6452 1.7712 1.8083 2.1777 2.1792 2.5168 2.5501 2.5835 2.5987 2.7905 2.8816 2.9847 3.0513 3.0858 3.1485 3.3477 3.3890 3.4640 3.5111 3.7395 3.8140 3.8887 3.9759 4.0238 4.0853 4.1806 4.2823 4.3971 4.5934 4.6742 4.6791 5.0484 5.1055 5.1074 5.1280 5.1819 5.2219 5.7301 5.7466 6.4348 6.4485 6.4715 6.5120 9.3639 9.3712 10.0120 10.0272 10.4218 10.4244 10.5198 10.5336 10.9479 10.9608 11.3138 11.3312 k =-0.1965 0.1631 0.6499 ( 6658 PWs) bands (ev): -20.1029 -20.1029 -7.0336 -6.9948 -6.8435 -6.7238 -5.9053 -5.9025 -5.6224 -5.4702 -5.3716 -5.2319 -4.6534 -4.4277 -4.2694 -4.2514 -0.6726 -0.6567 1.8120 1.8536 2.1858 2.1870 2.5239 2.5286 2.5823 2.6013 2.8152 2.8966 2.9846 3.0547 3.0820 3.1523 3.3522 3.3904 3.4583 3.4937 3.7457 3.8222 3.8964 3.9620 4.0396 4.0655 4.1676 4.2700 4.3535 4.5519 4.6572 4.6594 5.0165 5.0868 5.0953 5.0962 5.1529 5.1963 5.7583 5.7744 6.4327 6.4789 6.5187 6.5281 9.3410 9.3493 10.0368 10.0519 10.4483 10.4501 10.4745 10.4840 10.9302 10.9415 11.3208 11.3437 k =-0.2116 0.1757 0.6499 ( 6660 PWs) bands (ev): -20.1029 -20.1029 -7.0340 -7.0019 -6.8359 -6.7226 -5.9159 -5.9061 -5.6295 -5.4935 -5.3651 -5.2186 -4.6398 -4.4211 -4.2648 -4.2422 -0.6840 -0.6687 1.8543 1.9007 2.1941 2.1950 2.4968 2.5288 2.5777 2.6206 2.8421 2.9101 2.9813 3.0448 3.0942 3.1603 3.3555 3.3905 3.4542 3.4754 3.7524 3.8277 3.9029 3.9443 4.0456 4.0566 4.1572 4.2584 4.3128 4.5112 4.6372 4.6378 4.9815 5.0479 5.0752 5.0812 5.1385 5.1770 5.7855 5.8009 6.3985 6.4485 6.5960 6.6027 9.3147 9.3238 10.0570 10.0725 10.4165 10.4316 10.4939 10.4971 10.9148 10.9249 11.3303 11.3491 k =-0.2267 0.1882 0.6499 ( 6654 PWs) bands (ev): -20.1028 -20.1028 -7.0338 -7.0083 -6.8284 -6.7223 -5.9261 -5.9096 -5.6388 -5.5182 -5.3563 -5.2068 -4.6230 -4.4140 -4.2605 -4.2334 -0.6956 -0.6812 1.8977 1.9493 2.2023 2.2029 2.4699 2.5130 2.5899 2.6408 2.8707 2.9199 2.9753 3.0352 3.1104 3.1720 3.3571 3.3884 3.4523 3.4576 3.7595 3.8308 3.9062 3.9262 4.0258 4.0695 4.1508 4.2496 4.2753 4.4713 4.6144 4.6144 4.9457 5.0086 5.0479 5.0636 5.1359 5.1639 5.8116 5.8261 6.3624 6.4158 6.6731 6.6776 9.2846 9.2944 10.0706 10.0870 10.3874 10.4057 10.5272 10.5316 10.9023 10.9118 11.3333 11.3402 k =-0.2418 0.2007 0.6499 ( 6660 PWs) bands (ev): -20.1028 -20.1028 -7.0330 -7.0140 -6.8209 -6.7229 -5.9357 -5.9131 -5.6499 -5.5438 -5.3456 -5.1966 -4.6035 -4.4063 -4.2564 -4.2252 -0.7073 -0.6940 1.9422 1.9990 2.2101 2.2103 2.4438 2.4915 2.6089 2.6617 2.8998 2.9234 2.9684 3.0312 3.1275 3.1869 3.3569 3.3824 3.4422 3.4531 3.7668 3.8322 3.9048 3.9085 4.0062 4.0751 4.1481 4.2419 4.2458 4.4323 4.5887 4.5891 4.9097 4.9696 5.0204 5.0447 5.1379 5.1553 5.8366 5.8501 6.3255 6.3820 6.7493 6.7516 9.2507 9.2609 10.0766 10.0944 10.3739 10.3955 10.5622 10.5674 10.8932 10.9026 11.3124 11.3136 k =-0.2569 0.2133 0.6499 ( 6660 PWs) bands (ev): -20.1028 -20.1028 -7.0317 -7.0190 -6.8136 -6.7243 -5.9448 -5.9167 -5.6624 -5.5700 -5.3335 -5.1879 -4.5817 -4.3981 -4.2526 -4.2176 -0.7193 -0.7071 1.9873 2.0496 2.2166 2.2166 2.4196 2.4694 2.6305 2.6829 2.9193 2.9239 2.9664 3.0344 3.1450 3.2044 3.3552 3.3707 3.4313 3.4564 3.7742 3.8321 3.8915 3.8985 3.9869 4.0717 4.1456 4.2164 4.2484 4.3942 4.5604 4.5620 4.8740 4.9311 4.9956 5.0262 5.1410 5.1491 5.8604 5.8728 6.2884 6.3478 6.8241 6.8242 9.2131 9.2236 10.0764 10.0956 10.3760 10.4012 10.5977 10.6038 10.8878 10.8973 11.2772 11.2779 k =-0.2720 0.2258 0.6499 ( 6658 PWs) bands (ev): -20.1027 -20.1027 -7.0299 -7.0232 -6.8066 -6.7263 -5.9532 -5.9204 -5.6759 -5.5964 -5.3205 -5.1804 -4.5581 -4.3894 -4.2490 -4.2107 -0.7312 -0.7202 2.0329 2.1008 2.2209 2.2211 2.3986 2.4488 2.6533 2.7039 2.9089 2.9282 2.9844 3.0426 3.1622 3.2236 3.3533 3.3539 3.4251 3.4620 3.7815 3.8307 3.8754 3.8883 3.9681 4.0599 4.1341 4.2068 4.2567 4.3569 4.5301 4.5332 4.8389 4.8933 4.9747 5.0092 5.1437 5.1437 5.8832 5.8944 6.2518 6.3138 6.8952 6.8971 9.1723 9.1830 10.0733 10.0936 10.3913 10.4198 10.6335 10.6403 10.8858 10.8957 11.2355 11.2378 k =-0.2871 0.2384 0.6499 ( 6656 PWs) bands (ev): -20.1027 -20.1027 -7.0277 -7.0267 -6.7998 -6.7288 -5.9611 -5.9243 -5.6901 -5.6226 -5.3069 -5.1740 -4.5332 -4.3803 -4.2458 -4.2044 -0.7431 -0.7334 2.0787 2.1519 2.2214 2.2230 2.3827 2.4316 2.6765 2.7243 2.8947 2.9194 3.0161 3.0527 3.1790 3.2435 3.3347 3.3528 3.4219 3.4693 3.7885 3.8278 3.8604 3.8759 3.9501 4.0420 4.1111 4.2140 4.2687 4.3206 4.4981 4.5030 4.8049 4.8563 4.9577 4.9942 5.1379 5.1448 5.9047 5.9148 6.2165 6.2805 6.9643 6.9680 9.1292 9.1398 10.0708 10.0919 10.4164 10.4481 10.6690 10.6766 10.8871 10.8974 11.1906 11.1946 k =-0.3022 0.2509 0.6499 ( 6652 PWs) bands (ev): -20.1027 -20.1027 -7.0293 -7.0253 -6.7934 -6.7317 -5.9685 -5.9285 -5.7044 -5.6483 -5.2931 -5.1686 -4.5074 -4.3708 -4.2428 -4.1988 -0.7549 -0.7465 2.1244 2.2006 2.2169 2.2233 2.3735 2.4194 2.6996 2.7434 2.8786 2.9078 3.0511 3.0614 3.1951 3.2606 3.3185 3.3551 3.4202 3.4777 3.7948 3.8229 3.8463 3.8634 3.9330 4.0203 4.0834 4.2298 4.2812 4.2861 4.4651 4.4719 4.7723 4.8203 4.9446 4.9815 5.1309 5.1437 5.9249 5.9340 6.1833 6.2486 7.0312 7.0364 9.0845 9.0950 10.0712 10.0931 10.4489 10.4837 10.7039 10.7121 10.8911 10.9017 11.1445 11.1501 k =-0.3174 0.2635 0.6499 ( 6652 PWs) bands (ev): -20.1026 -20.1026 -7.0312 -7.0225 -6.7874 -6.7349 -5.9753 -5.9330 -5.7186 -5.6730 -5.2793 -5.1641 -4.4812 -4.3611 -4.2401 -4.1939 -0.7665 -0.7593 2.1690 2.2076 2.2106 2.2568 2.3718 2.4137 2.7218 2.7604 2.8618 2.8963 3.0665 3.0859 3.2107 3.2646 3.3171 3.3619 3.4194 3.4869 3.7998 3.8156 3.8335 3.8524 3.9172 3.9969 4.0547 4.2494 4.2502 4.2959 4.4318 4.4407 4.7414 4.7855 4.9348 4.9708 5.1220 5.1394 5.9439 5.9519 6.1529 6.2187 7.0956 7.1021 9.0394 9.0497 10.0760 10.0984 10.4874 10.5250 10.7372 10.7461 10.8973 10.9081 11.0990 11.1061 k =-0.3325 0.2760 0.6499 ( 6654 PWs) bands (ev): -20.1026 -20.1026 -7.0323 -7.0198 -6.7818 -6.7383 -5.9817 -5.9380 -5.7325 -5.6963 -5.2658 -5.1604 -4.4550 -4.3512 -4.2378 -4.1897 -0.7778 -0.7718 2.1887 2.1998 2.2182 2.3046 2.3767 2.4155 2.7424 2.7737 2.8454 2.8866 3.0663 3.1172 3.2262 3.2550 3.3338 3.3736 3.4193 3.4965 3.8025 3.8059 3.8221 3.8436 3.9028 3.9734 4.0263 4.2164 4.2704 4.3072 4.3988 4.4113 4.7126 4.7520 4.9279 4.9619 5.1105 5.1315 5.9615 5.9686 6.1260 6.1913 7.1570 7.1645 8.9948 9.0048 10.0858 10.1086 10.5307 10.5710 10.7678 10.7770 10.9050 10.9157 11.0563 11.0649 k =-0.3476 0.2886 0.6499 ( 6666 PWs) bands (ev): -20.1026 -20.1026 -7.0327 -7.0170 -6.7766 -6.7415 -5.9876 -5.9436 -5.7457 -5.7180 -5.2528 -5.1574 -4.4292 -4.3414 -4.2356 -4.1864 -0.7887 -0.7838 2.1730 2.1850 2.2605 2.3485 2.3870 2.4264 2.7595 2.7817 2.8310 2.8805 3.0600 3.1377 3.2419 3.2502 3.3564 3.3902 3.4205 3.5065 3.7951 3.8004 3.8134 3.8360 3.8901 3.9518 3.9989 4.1834 4.2908 4.3123 4.3680 4.3877 4.6860 4.7202 4.9233 4.9547 5.0962 5.1196 5.9778 5.9839 6.1031 6.1667 7.2152 7.2235 8.9516 8.9611 10.1009 10.1240 10.5784 10.6210 10.7931 10.8023 10.9129 10.9237 11.0199 11.0297 k =-0.3627 0.3011 0.6499 ( 6662 PWs) bands (ev): -20.1025 -20.1025 -7.0324 -7.0144 -6.7721 -6.7446 -5.9931 -5.9497 -5.7580 -5.7377 -5.2404 -5.1551 -4.4041 -4.3317 -4.2338 -4.1838 -0.7990 -0.7951 2.1551 2.1681 2.3023 2.3827 2.4017 2.4503 2.7686 2.7830 2.8233 2.8794 3.0479 3.1386 3.2579 3.2631 3.3785 3.4108 3.4248 3.5166 3.7846 3.7928 3.8064 3.8279 3.8795 3.9341 3.9733 4.1512 4.3023 4.3037 4.3475 4.3782 4.6620 4.6901 4.9204 4.9489 5.0791 5.1036 5.9927 5.9980 6.0845 6.1453 7.2698 7.2785 8.9106 8.9196 10.1213 10.1445 10.6295 10.6741 10.8089 10.8170 10.9194 10.9312 10.9958 11.0060 k =-0.3627 0.3011 0.6499 ( 6662 PWs) bands (ev): -20.1025 -20.1025 -7.0324 -7.0144 -6.7721 -6.7446 -5.9931 -5.9497 -5.7580 -5.7377 -5.2404 -5.1551 -4.4041 -4.3317 -4.2338 -4.1838 -0.7990 -0.7951 2.1551 2.1681 2.3023 2.3827 2.4017 2.4503 2.7686 2.7830 2.8233 2.8794 3.0479 3.1386 3.2579 3.2631 3.3785 3.4108 3.4248 3.5166 3.7846 3.7928 3.8064 3.8279 3.8795 3.9341 3.9733 4.1512 4.3023 4.3037 4.3475 4.3782 4.6620 4.6901 4.9204 4.9489 5.0791 5.1036 5.9927 5.9980 6.0845 6.1453 7.2698 7.2785 8.9106 8.9196 10.1213 10.1445 10.6295 10.6741 10.8089 10.8170 10.9194 10.9312 10.9958 11.0060 k =-0.3725 0.3093 0.6371 ( 6658 PWs) bands (ev): -20.1025 -20.1025 -7.0322 -7.0128 -6.7693 -6.7465 -5.9962 -5.9534 -5.7652 -5.7491 -5.2329 -5.1542 -4.3886 -4.3260 -4.2337 -4.1821 -0.8052 -0.8019 2.1439 2.1573 2.3262 2.3909 2.4205 2.4749 2.7557 2.7917 2.8203 2.8846 3.0374 3.1296 3.2633 3.2839 3.3891 3.4165 3.4404 3.5241 3.7771 3.7881 3.8011 3.8213 3.8733 3.9276 3.9585 4.1309 4.2887 4.2944 4.3466 4.3827 4.6497 4.6731 4.9198 4.9462 5.0669 5.0915 5.9952 6.0024 6.0807 6.1368 7.3018 7.3106 8.8865 8.8951 10.1383 10.1614 10.6595 10.7034 10.8109 10.8195 10.9060 10.9199 11.0065 11.0145 k =-0.3823 0.3174 0.6244 ( 6651 PWs) bands (ev): -20.1025 -20.1025 -7.0322 -7.0112 -6.7668 -6.7483 -5.9988 -5.9562 -5.7714 -5.7592 -5.2260 -5.1537 -4.3739 -4.3213 -4.2356 -4.1799 -0.8106 -0.8078 2.1341 2.1481 2.3445 2.3920 2.4449 2.5060 2.7332 2.7943 2.8220 2.8975 3.0249 3.1158 3.2677 3.3060 3.3961 3.4164 3.4635 3.5330 3.7691 3.7837 3.7958 3.8146 3.8670 3.9285 3.9452 4.1111 4.2704 4.2787 4.3466 4.3939 4.6414 4.6603 4.9210 4.9448 5.0549 5.0789 5.9874 5.9993 6.0877 6.1360 7.3293 7.3381 8.8658 8.8741 10.1588 10.1817 10.6827 10.7227 10.8027 10.8141 10.8768 10.8975 11.0385 11.0458 k =-0.3921 0.3255 0.6116 ( 6657 PWs) bands (ev): -20.1025 -20.1025 -7.0323 -7.0099 -6.7645 -6.7500 -6.0010 -5.9582 -5.7765 -5.7677 -5.2200 -5.1537 -4.3602 -4.3179 -4.2387 -4.1775 -0.8151 -0.8129 2.1258 2.1403 2.3571 2.3920 2.4718 2.5399 2.7080 2.7791 2.8364 2.9147 3.0108 3.0992 3.2718 3.3262 3.3993 3.4181 3.4854 3.5428 3.7616 3.7741 3.7936 3.8104 3.8614 3.9328 3.9358 4.0918 4.2523 4.2624 4.3443 4.4061 4.6358 4.6521 4.9234 4.9448 5.0436 5.0660 5.9762 5.9918 6.0984 6.1401 7.3520 7.3607 8.8487 8.8566 10.1815 10.2039 10.6997 10.7325 10.7821 10.7975 10.8560 10.8829 11.0729 11.0818 k =-0.4019 0.3337 0.5989 ( 6645 PWs) bands (ev): -20.1025 -20.1025 -7.0325 -7.0088 -6.7624 -6.7515 -6.0027 -5.9596 -5.7805 -5.7746 -5.2151 -5.1539 -4.3478 -4.3159 -4.2424 -4.1754 -0.8186 -0.8169 2.1193 2.1343 2.3653 2.3915 2.5010 2.5744 2.6813 2.7573 2.8537 2.9335 2.9960 3.0809 3.2753 3.3437 3.3984 3.4222 3.5043 3.5529 3.7549 3.7605 3.7943 3.8091 3.8576 3.9221 3.9463 4.0731 4.2364 4.2480 4.3407 4.4164 4.6318 4.6483 4.9265 4.9462 5.0336 5.0536 5.9658 5.9832 6.1087 6.1457 7.3699 7.3784 8.8352 8.8429 10.2046 10.2262 10.7081 10.7286 10.7589 10.7797 10.8467 10.8763 11.1039 11.1155 k =-0.4117 0.3418 0.5861 ( 6636 PWs) bands (ev): -20.1025 -20.1025 -7.0326 -7.0079 -6.7606 -6.7530 -6.0039 -5.9605 -5.7833 -5.7797 -5.2113 -5.1542 -4.3370 -4.3156 -4.2459 -4.1737 -0.8211 -0.8199 2.1146 2.1299 2.3705 2.3910 2.5313 2.6079 2.6537 2.7320 2.8708 2.9510 2.9828 3.0622 3.2778 3.3580 3.3951 3.4264 3.5190 3.5622 3.7456 3.7510 3.7956 3.8095 3.8561 3.9127 3.9587 4.0558 4.2240 4.2368 4.3370 4.4238 4.6289 4.6474 4.9295 4.9484 5.0260 5.0424 5.9577 5.9759 6.1168 6.1509 7.3827 7.3911 8.8255 8.8330 10.2252 10.2459 10.7008 10.7101 10.7498 10.7739 10.8421 10.8733 11.1289 11.1433 k =-0.4215 0.3500 0.5734 ( 6640 PWs) bands (ev): -20.1025 -20.1025 -7.0327 -7.0074 -6.7590 -6.7543 -6.0047 -5.9610 -5.7847 -5.7830 -5.2089 -5.1545 -4.3281 -4.3174 -4.2486 -4.1727 -0.8226 -0.8218 2.1118 2.1273 2.3735 2.3905 2.5620 2.6208 2.6445 2.7044 2.8848 2.9571 2.9812 3.0451 3.2793 3.3688 3.3907 3.4293 3.5282 3.5692 3.7358 3.7475 3.7965 3.8101 3.8563 3.9059 3.9700 4.0418 4.2162 4.2298 4.3344 4.4282 4.6274 4.6476 4.9318 4.9507 5.0217 5.0340 5.9528 5.9710 6.1219 6.1543 7.3904 7.3987 8.8197 8.8271 10.2400 10.2598 10.6871 10.6920 10.7518 10.7733 10.8396 10.8720 11.1458 11.1622 k =-0.4313 0.3581 0.5606 ( 6642 PWs) bands (ev): -20.1025 -20.1025 -7.0327 -7.0073 -6.7583 -6.7549 -6.0049 -5.9612 -5.7850 -5.7844 -5.2081 -5.1547 -4.3219 -4.3211 -4.2495 -4.1723 -0.8231 -0.8225 2.1108 2.1264 2.3744 2.3903 2.5912 2.5937 2.6711 2.6780 2.8909 2.9543 2.9867 3.0369 3.2799 3.3737 3.3879 3.4303 3.5314 3.5718 3.7320 3.7463 3.7969 3.8104 3.8568 3.9033 3.9752 4.0358 4.2135 4.2274 4.3334 4.4296 4.6269 4.6477 4.9326 4.9516 5.0205 5.0306 5.9511 5.9693 6.1236 6.1555 7.3930 7.4012 8.8177 8.8251 10.2454 10.2648 10.6814 10.6847 10.7535 10.7732 10.8388 10.8715 11.1520 11.1692 k =-0.4313 0.3581 0.5606 ( 6642 PWs) bands (ev): -20.1025 -20.1025 -7.0327 -7.0073 -6.7583 -6.7549 -6.0049 -5.9612 -5.7850 -5.7844 -5.2081 -5.1547 -4.3219 -4.3211 -4.2495 -4.1723 -0.8231 -0.8225 2.1108 2.1264 2.3744 2.3903 2.5912 2.5937 2.6711 2.6780 2.8909 2.9543 2.9867 3.0369 3.2799 3.3737 3.3879 3.4303 3.5314 3.5718 3.7320 3.7463 3.7969 3.8104 3.8568 3.9033 3.9752 4.0358 4.2135 4.2274 4.3334 4.4296 4.6269 4.6477 4.9326 4.9516 5.0205 5.0306 5.9511 5.9693 6.1236 6.1555 7.3930 7.4012 8.8177 8.8251 10.2454 10.2648 10.6814 10.6847 10.7535 10.7732 10.8388 10.8715 11.1520 11.1692 k =-0.4206 0.3492 0.5466 ( 6646 PWs) bands (ev): -20.1025 -20.1025 -7.0365 -7.0083 -6.7594 -6.7542 -6.0004 -5.9490 -5.7753 -5.7743 -5.2171 -5.1564 -4.3355 -4.3351 -4.2583 -4.1694 -0.8148 -0.8142 2.1280 2.1467 2.3390 2.3615 2.5728 2.5916 2.6520 2.6695 2.8945 2.9545 3.0053 3.0612 3.2501 3.3484 3.3835 3.3943 3.5189 3.5704 3.7480 3.7581 3.8070 3.8273 3.8541 3.9202 3.9893 4.0608 4.2231 4.2411 4.3088 4.4220 4.6529 4.6760 4.9369 4.9589 5.0445 5.0582 5.9182 5.9395 6.1480 6.1834 7.3491 7.3577 8.8510 8.8592 10.2273 10.2466 10.6543 10.6694 10.6883 10.6934 10.8230 10.8569 11.1603 11.1791 k =-0.4098 0.3402 0.5326 ( 6658 PWs) bands (ev): -20.1025 -20.1025 -7.0404 -7.0099 -6.7607 -6.7531 -5.9951 -5.9357 -5.7644 -5.7627 -5.2265 -5.1591 -4.3505 -4.3502 -4.2679 -4.1673 -0.8059 -0.8053 2.1473 2.1697 2.3022 2.3296 2.5529 2.5921 2.6339 2.6614 2.8953 2.9436 3.0309 3.0841 3.2166 3.3293 3.3426 3.3936 3.5093 3.5701 3.7645 3.7706 3.8148 3.8402 3.8539 3.9381 4.0085 4.0873 4.2235 4.2334 4.3057 4.4225 4.6814 4.7072 4.9422 4.9668 5.0681 5.0851 5.8819 5.9064 6.1761 6.2143 7.3008 7.3092 8.8885 8.8977 10.2158 10.2350 10.5634 10.5772 10.6829 10.6872 10.8032 10.8388 11.1693 11.1893 k =-0.3990 0.3313 0.5186 ( 6672 PWs) bands (ev): -20.1025 -20.1025 -7.0443 -7.0121 -6.7621 -6.7517 -5.9888 -5.9211 -5.7523 -5.7499 -5.2362 -5.1627 -4.3672 -4.3659 -4.2782 -4.1660 -0.7964 -0.7958 2.1684 2.1953 2.2649 2.2953 2.5343 2.5921 2.6173 2.6534 2.8925 2.9269 3.0583 3.1008 3.1861 3.2990 3.3156 3.3960 3.5022 3.5709 3.7811 3.7832 3.8211 3.8505 3.8559 3.9545 4.0335 4.1149 4.2076 4.2145 4.3216 4.4320 4.7116 4.7404 4.9484 4.9755 5.0907 5.1108 5.8425 5.8704 6.2074 6.2478 7.2487 7.2566 8.9302 8.9402 10.2104 10.2299 10.4683 10.4785 10.6797 10.6852 10.7823 10.8197 11.1783 11.1995 k =-0.3882 0.3223 0.5046 ( 6668 PWs) bands (ev): -20.1026 -20.1026 -7.0484 -7.0148 -6.7635 -6.7499 -5.9817 -5.9054 -5.7390 -5.7358 -5.2461 -5.1671 -4.3852 -4.3824 -4.2892 -4.1656 -0.7867 -0.7861 2.1886 2.2230 2.2305 2.2597 2.5168 2.5895 2.6036 2.6452 2.8862 2.9064 3.0849 3.0945 3.1772 3.2571 3.3061 3.3989 3.4972 3.5728 3.7950 3.7971 3.8274 3.8591 3.8592 3.9689 4.0629 4.1420 4.1782 4.1998 4.3429 4.4483 4.7428 4.7747 4.9558 4.9847 5.1122 5.1350 5.8005 5.8318 6.2416 6.2837 7.1937 7.2006 8.9757 8.9864 10.2099 10.2304 10.3736 10.3795 10.6751 10.6820 10.7621 10.8013 11.1869 11.2092 k =-0.3774 0.3134 0.4906 ( 6664 PWs) bands (ev): -20.1026 -20.1026 -7.0525 -7.0180 -6.7651 -6.7478 -5.9737 -5.8887 -5.7247 -5.7205 -5.2563 -5.1725 -4.4041 -4.3997 -4.3009 -4.1660 -0.7769 -0.7764 2.1802 2.2217 2.2267 2.2546 2.5003 2.5804 2.5962 2.6364 2.8767 2.8835 3.0623 3.1064 3.1941 3.2216 3.3002 3.4024 3.4936 3.5756 3.8047 3.8121 3.8355 3.8628 3.8663 3.9824 4.0945 4.1504 4.1605 4.1905 4.3656 4.4689 4.7746 4.8093 4.9644 4.9942 5.1324 5.1575 5.7562 5.7911 6.2783 6.3214 7.1368 7.1423 9.0247 9.0361 10.2106 10.2356 10.2815 10.2834 10.6684 10.6767 10.7443 10.7854 11.1945 11.2179 k =-0.3666 0.3044 0.4765 ( 6660 PWs) bands (ev): -20.1027 -20.1027 -7.0566 -7.0217 -6.7666 -6.7454 -5.9650 -5.8710 -5.7093 -5.7042 -5.2665 -5.1786 -4.4240 -4.4177 -4.3131 -4.1673 -0.7672 -0.7668 2.1459 2.1850 2.2512 2.2868 2.4847 2.5676 2.5915 2.6265 2.8597 2.8652 3.0214 3.1099 3.2055 3.2200 3.2973 3.4066 3.4910 3.5792 3.8118 3.8250 3.8459 3.8660 3.8723 3.9955 4.1226 4.1302 4.1500 4.2090 4.3887 4.4918 4.8066 4.8434 4.9745 5.0039 5.1511 5.1781 5.7102 5.7488 6.3168 6.3605 7.0790 7.0826 9.0768 9.0889 10.1729 10.1852 10.2370 10.2446 10.6589 10.6686 10.7303 10.7731 11.2005 11.2249 k =-0.3559 0.2954 0.4625 ( 6660 PWs) bands (ev): -20.1027 -20.1027 -7.0607 -7.0258 -6.7682 -6.7428 -5.9556 -5.8523 -5.6930 -5.6869 -5.2767 -5.1855 -4.4446 -4.4362 -4.3259 -4.1695 -0.7578 -0.7575 2.1099 2.1482 2.2797 2.3213 2.4696 2.5548 2.5851 2.6149 2.8363 2.8528 2.9785 3.0869 3.2172 3.2488 3.2969 3.4119 3.4888 3.5835 3.8173 3.8346 3.8575 3.8682 3.8774 4.0088 4.1074 4.1320 4.1583 4.2355 4.4119 4.5159 4.8385 4.8762 4.9863 5.0135 5.1683 5.1968 5.6630 5.7052 6.3566 6.4005 7.0212 7.0224 9.1317 9.1444 10.0883 10.0917 10.2427 10.2559 10.6461 10.6570 10.7214 10.7658 11.2043 11.2296 k =-0.3451 0.2865 0.4485 ( 6656 PWs) bands (ev): -20.1027 -20.1027 -7.0649 -7.0303 -6.7699 -6.7400 -5.9454 -5.8327 -5.6758 -5.6686 -5.2868 -5.1931 -4.4659 -4.4553 -4.3390 -4.1725 -0.7489 -0.7487 2.0746 2.1122 2.3098 2.3572 2.4550 2.5427 2.5754 2.6013 2.8143 2.8406 2.9355 3.0525 3.2419 3.2785 3.2986 3.4186 3.4867 3.5882 3.8222 3.8393 3.8649 3.8729 3.8822 4.0224 4.0966 4.1157 4.1874 4.2618 4.4354 4.5408 4.8696 4.9064 5.0004 5.0227 5.1839 5.2137 5.6152 5.6609 6.3970 6.4406 6.9628 6.9643 9.1887 9.2021 10.0017 10.0025 10.2541 10.2681 10.6292 10.6409 10.7191 10.7645 11.2055 11.2317 k =-0.3343 0.2775 0.4345 ( 6656 PWs) bands (ev): -20.1028 -20.1028 -7.0689 -7.0350 -6.7715 -6.7371 -5.9346 -5.8123 -5.6578 -5.6496 -5.2968 -5.2013 -4.4876 -4.4749 -4.3525 -4.1764 -0.7407 -0.7407 2.0405 2.0772 2.3407 2.3931 2.4417 2.5313 2.5615 2.5854 2.7947 2.8296 2.8937 3.0164 3.2695 3.2991 3.3114 3.4277 3.4842 3.5933 3.8268 3.8381 3.8631 3.8836 3.8869 4.0362 4.0942 4.1038 4.2139 4.2862 4.4590 4.5662 4.8990 4.9325 5.0177 5.0320 5.1980 5.2288 5.5675 5.6164 6.4372 6.4803 6.9048 6.9094 9.2473 9.2614 9.9162 9.9202 10.2662 10.2799 10.6073 10.6192 10.7247 10.7706 11.2040 11.2311 k =-0.3235 0.2686 0.4205 ( 6666 PWs) bands (ev): -20.1028 -20.1028 -7.0730 -7.0399 -6.7731 -6.7342 -5.9231 -5.7912 -5.6390 -5.6299 -5.3064 -5.2101 -4.5096 -4.4948 -4.3662 -4.1813 -0.7334 -0.7333 2.0081 2.0437 2.3718 2.4135 2.4441 2.5209 2.5431 2.5675 2.7775 2.8190 2.8550 2.9822 3.2961 3.3040 3.3409 3.4401 3.4813 3.5987 3.8307 3.8314 3.8579 3.8915 3.8945 4.0509 4.0972 4.0995 4.2372 4.3081 4.4829 4.5921 4.9243 4.9531 5.0393 5.0428 5.2106 5.2423 5.5209 5.5724 6.4765 6.5188 6.8493 6.8572 9.3066 9.3215 9.8362 9.8430 10.2776 10.2901 10.5793 10.5909 10.7392 10.7849 11.2003 11.2283 k =-0.3127 0.2596 0.4065 ( 6656 PWs) bands (ev): -20.1029 -20.1029 -7.0769 -7.0449 -6.7748 -6.7313 -5.9109 -5.7693 -5.6196 -5.6097 -5.3157 -5.2194 -4.5317 -4.5151 -4.3801 -4.1870 -0.7272 -0.7269 1.9774 2.0119 2.4015 2.4020 2.4771 2.5121 2.5205 2.5487 2.7622 2.8017 2.8278 2.9519 3.3089 3.3195 3.3706 3.4570 3.4778 3.6045 3.8210 3.8307 3.8531 3.8954 3.9049 4.0673 4.0964 4.1105 4.2571 4.3269 4.5072 4.6187 4.9415 4.9674 5.0582 5.0654 5.2218 5.2542 5.4764 5.5294 6.5139 6.5553 6.7971 6.8086 9.3654 9.3812 9.7633 9.7723 10.2874 10.2983 10.5441 10.5552 10.7631 10.8081 11.1954 11.2244 k =-0.3019 0.2507 0.3924 ( 6656 PWs) bands (ev): -20.1030 -20.1030 -7.0807 -7.0500 -6.7764 -6.7286 -5.8981 -5.7469 -5.5997 -5.5890 -5.3244 -5.2291 -4.5539 -4.5356 -4.3940 -4.1936 -0.7220 -0.7216 1.9488 1.9819 2.3844 2.4264 2.4947 2.5064 2.5077 2.5361 2.7473 2.7718 2.8190 2.9271 3.3143 3.3379 3.3991 3.4700 3.4833 3.6106 3.8086 3.8219 3.8541 3.8984 3.9153 4.0857 4.1004 4.1251 4.2732 4.3421 4.5322 4.6462 4.9465 4.9756 5.0814 5.0951 5.2317 5.2646 5.4351 5.4884 6.5487 6.5892 6.7490 6.7640 9.4208 9.4381 9.7003 9.7109 10.2955 10.3043 10.5012 10.5115 10.7962 10.8402 11.1908 11.2210 k =-0.2912 0.2417 0.3784 ( 6656 PWs) bands (ev): -20.1030 -20.1030 -7.0843 -7.0551 -6.7781 -6.7261 -5.8847 -5.7238 -5.5793 -5.5681 -5.3327 -5.2391 -4.5759 -4.5563 -4.4081 -4.2010 -0.7180 -0.7174 1.9222 1.9540 2.3643 2.4367 2.4702 2.4985 2.5131 2.5578 2.7316 2.7436 2.8168 2.9089 3.3201 3.3513 3.4257 3.4657 3.5110 3.6172 3.7958 3.8068 3.8586 3.9004 3.9267 4.1060 4.1079 4.1417 4.2854 4.3534 4.5581 4.6748 4.9386 4.9784 5.1122 5.1274 5.2402 5.2736 5.3982 5.4499 6.5800 6.6194 6.7054 6.7240 9.4660 9.4853 9.6544 9.6656 10.3022 10.3086 10.4504 10.4600 10.8379 10.8808 11.1883 11.2199 k =-0.2804 0.2328 0.3644 ( 6662 PWs) bands (ev): -20.1031 -20.1031 -7.0878 -7.0601 -6.7798 -6.7240 -5.8707 -5.7004 -5.5585 -5.5470 -5.3402 -5.2493 -4.5977 -4.5772 -4.4220 -4.2094 -0.7153 -0.7145 1.8980 1.9284 2.3419 2.4205 2.4551 2.4785 2.5318 2.5832 2.7143 2.7261 2.8174 2.8978 3.3264 3.3603 3.4494 3.4595 3.5446 3.6245 3.7833 3.7891 3.8632 3.9013 3.9404 4.1172 4.1278 4.1597 4.2932 4.3609 4.5853 4.7048 4.9201 4.9762 5.1483 5.1615 5.2476 5.2815 5.3663 5.4148 6.6068 6.6454 6.6670 6.6888 9.4837 9.5054 9.6426 9.6539 10.3077 10.3117 10.3923 10.4015 10.8872 10.9292 11.1894 11.2228 k =-0.2696 0.2238 0.3504 ( 6666 PWs) bands (ev): -20.1031 -20.1031 -7.0911 -7.0650 -6.7816 -6.7222 -5.8562 -5.6765 -5.5376 -5.5258 -5.3470 -5.2595 -4.6190 -4.5981 -4.4360 -4.2186 -0.7139 -0.7129 1.8762 1.9051 2.3171 2.3904 2.4437 2.4576 2.5569 2.5921 2.6964 2.7290 2.8200 2.8932 3.3329 3.3660 3.4527 3.4695 3.5814 3.6325 3.7704 3.7719 3.8667 3.9011 3.9576 4.1266 4.1503 4.1788 4.2961 4.3650 4.6145 4.7365 4.8934 4.9693 5.1875 5.1969 5.2540 5.2884 5.3401 5.3839 6.6261 6.6359 6.6580 6.6666 9.4678 9.4905 9.6710 9.6835 10.3086 10.3093 10.3320 10.3418 10.9430 10.9843 11.1955 11.2307 k =-0.2588 0.2149 0.3364 ( 6660 PWs) bands (ev): -20.1032 -20.1032 -7.0941 -7.0697 -6.7835 -6.7209 -5.8411 -5.6523 -5.5165 -5.5049 -5.3530 -5.2697 -4.6397 -4.6189 -4.4498 -4.2286 -0.7137 -0.7126 1.8569 1.8843 2.2903 2.3571 2.4306 2.4367 2.5816 2.5829 2.6802 2.7530 2.8240 2.8940 3.3397 3.3692 3.4460 3.4854 3.6199 3.6410 3.7516 3.7619 3.8684 3.9000 3.9791 4.1339 4.1724 4.1993 4.2936 4.3668 4.6458 4.7702 4.8615 4.9584 5.2269 5.2323 5.2601 5.2950 5.3200 5.3577 6.6040 6.6323 6.6455 6.6817 9.4401 9.4632 9.7174 9.7312 10.2525 10.2577 10.3240 10.3269 11.0045 11.0453 11.2074 11.2447 k =-0.2480 0.2059 0.3224 ( 6656 PWs) bands (ev): -20.1033 -20.1032 -7.0969 -7.0741 -6.7854 -6.7202 -5.8255 -5.6280 -5.4955 -5.4843 -5.3582 -5.2797 -4.6597 -4.6397 -4.4634 -4.2396 -0.7148 -0.7136 1.8403 1.8660 2.2619 2.3228 2.4157 2.4157 2.5652 2.5992 2.6712 2.7882 2.8293 2.8988 3.3467 3.3702 3.4398 3.4966 3.6497 3.6583 3.7334 3.7539 3.8680 3.8977 4.0053 4.1371 4.1933 4.2218 4.2852 4.3677 4.6796 4.8062 4.8273 4.9443 5.2532 5.2635 5.2736 5.3040 5.3102 5.3375 6.5805 6.6107 6.6550 6.6908 9.4137 9.4373 9.7676 9.7820 10.1784 10.1839 10.3316 10.3322 11.0705 11.1112 11.2257 11.2651 k =-0.2372 0.1970 0.3083 ( 6654 PWs) bands (ev): -20.1033 -20.1033 -7.0994 -7.0783 -6.7874 -6.7200 -5.8094 -5.6035 -5.4746 -5.4642 -5.3623 -5.2894 -4.6787 -4.6602 -4.4769 -4.2514 -0.7172 -0.7159 1.8264 1.8505 2.2326 2.2883 2.3945 2.3992 2.5457 2.6013 2.6777 2.8273 2.8360 2.9066 3.3538 3.3693 3.4346 3.5031 3.6578 3.6929 3.7165 3.7504 3.8654 3.8943 4.0364 4.1343 4.2127 4.2431 4.2735 4.3698 4.7144 4.7954 4.8448 4.9281 5.2561 5.2784 5.2824 5.3154 5.3322 5.3352 6.5612 6.5930 6.6580 6.6932 9.3925 9.4163 9.8161 9.8299 10.1034 10.1075 10.3410 10.3420 11.1403 11.1809 11.2508 11.2923 k =-0.2265 0.1880 0.2943 ( 6652 PWs) bands (ev): -20.1034 -20.1034 -7.1016 -7.0822 -6.7895 -6.7204 -5.7928 -5.5792 -5.4542 -5.4449 -5.3655 -5.2987 -4.6966 -4.6803 -4.4902 -4.2640 -0.7208 -0.7194 1.8152 1.8376 2.2026 2.2540 2.3729 2.3813 2.5268 2.5911 2.6966 2.8417 2.8695 2.9163 3.3610 3.3668 3.4305 3.5051 3.6640 3.7015 3.7130 3.7606 3.8606 3.8899 4.0708 4.1255 4.2286 4.2404 4.2835 4.3749 4.7346 4.7835 4.8860 4.9107 5.2517 5.2765 5.2817 5.3126 5.3674 5.3737 6.5456 6.5786 6.6540 6.6890 9.3770 9.4007 9.8572 9.8669 10.0351 10.0359 10.3529 10.3552 11.2130 11.2529 11.2836 11.3263 k =-0.2157 0.1791 0.2803 ( 6648 PWs) bands (ev): -20.1034 -20.1034 -7.1035 -7.0858 -6.7918 -6.7215 -5.7758 -5.5550 -5.4343 -5.4265 -5.3676 -5.3072 -4.7133 -4.7000 -4.5033 -4.2775 -0.7255 -0.7240 1.8068 1.8275 2.1727 2.2201 2.3510 2.3624 2.5095 2.5768 2.7195 2.8489 2.9107 2.9273 3.3633 3.3683 3.4276 3.5029 3.6663 3.6901 3.7145 3.7871 3.8534 3.8846 4.0909 4.1283 4.2054 4.2541 4.3113 4.3839 4.7175 4.8163 4.8925 4.9304 5.2447 5.2686 5.2826 5.3119 5.4066 5.4183 6.5333 6.5670 6.6432 6.6779 9.3657 9.3887 9.8687 9.8718 9.9877 10.0024 10.3681 10.3714 11.2878 11.3148 11.3353 11.3673 k =-0.2049 0.1701 0.2663 ( 6630 PWs) bands (ev): -20.1035 -20.1035 -7.1051 -7.0891 -6.7941 -6.7233 -5.7584 -5.5311 -5.4155 -5.4094 -5.3685 -5.3147 -4.7286 -4.7190 -4.5161 -4.2918 -0.7313 -0.7297 1.8014 1.8201 2.1430 2.1869 2.3290 2.3428 2.4939 2.5618 2.7429 2.8563 2.9391 2.9516 3.3591 3.3756 3.4258 3.4968 3.6613 3.6851 3.7099 3.8149 3.8437 3.8792 4.0724 4.1672 4.1681 4.2759 4.3430 4.3965 4.6944 4.8627 4.8747 4.9773 5.2375 5.2601 5.2848 5.3125 5.4474 5.4636 6.5236 6.5576 6.6257 6.6603 9.3554 9.3768 9.8236 9.8334 9.9951 10.0184 10.3869 10.3910 11.3616 11.3632 11.4100 11.4154 k =-0.1941 0.1612 0.2523 ( 6630 PWs) bands (ev): -20.1036 -20.1036 -7.1063 -7.0919 -6.7966 -6.7257 -5.7405 -5.5079 -5.3981 -5.3942 -5.3679 -5.3208 -4.7422 -4.7372 -4.5286 -4.3069 -0.7380 -0.7364 1.7987 1.8154 2.1141 2.1546 2.3073 2.3229 2.4796 2.5469 2.7656 2.8636 2.9509 2.9917 3.3548 3.3828 3.4247 3.4873 3.6507 3.6842 3.7038 3.8314 3.8347 3.8768 4.0444 4.1230 4.2175 4.3003 4.3772 4.4121 4.6741 4.8572 4.9135 5.0270 5.2312 5.2528 5.2880 5.3135 5.4888 5.5087 6.5159 6.5498 6.6020 6.6364 9.3404 9.3584 9.7706 9.7790 10.0263 10.0513 10.4095 10.4143 11.4118 11.4375 11.4712 11.4875 k =-0.1833 0.1522 0.2383 ( 6632 PWs) bands (ev): -20.1036 -20.1036 -7.1073 -7.0944 -6.7992 -6.7288 -5.7223 -5.4855 -5.3831 -5.3818 -5.3649 -5.3245 -4.7544 -4.7541 -4.5409 -4.3228 -0.7454 -0.7439 1.7990 1.8133 2.0863 2.1233 2.2860 2.3029 2.4667 2.5323 2.7870 2.8706 2.9624 3.0308 3.3507 3.3899 3.4241 3.4746 3.6373 3.6837 3.6970 3.8164 3.8384 3.8833 4.0145 4.0755 4.2712 4.3270 4.4145 4.4301 4.6573 4.8401 4.9669 5.0793 5.2261 5.2471 5.2924 5.3149 5.5303 5.5533 6.5094 6.5431 6.5726 6.6068 9.3128 9.3255 9.7330 9.7371 10.0604 10.0860 10.4361 10.4415 11.4667 11.5080 11.5357 11.5648 k =-0.1725 0.1432 0.2243 ( 6632 PWs) bands (ev): -20.1037 -20.1037 -7.1079 -7.0966 -6.8018 -6.7324 -5.7037 -5.4644 -5.3742 -5.3718 -5.3579 -5.3244 -4.7704 -4.7641 -4.5528 -4.3395 -0.7536 -0.7520 1.8020 1.8137 2.0598 2.0932 2.2655 2.2831 2.4547 2.5182 2.8068 2.8769 2.9733 3.0687 3.3470 3.3965 3.4241 3.4593 3.6212 3.6828 3.6898 3.7992 3.8294 3.8937 3.9856 4.0279 4.3274 4.3552 4.4499 4.4555 4.6439 4.8237 5.0209 5.1332 5.2225 5.2432 5.2990 5.3170 5.5715 5.5971 6.5031 6.5371 6.5388 6.5720 9.2660 9.2724 9.7185 9.7194 10.0934 10.1193 10.4668 10.4728 11.5255 11.5755 11.6059 11.6399 k =-0.1618 0.1343 0.2102 ( 6628 PWs) bands (ev): -20.1037 -20.1037 -7.1082 -7.0983 -6.8045 -6.7367 -5.6848 -5.4450 -5.3697 -5.3651 -5.3486 -5.3194 -4.7848 -4.7721 -4.5644 -4.3570 -0.7623 -0.7607 1.8078 1.8165 2.0352 2.0646 2.2460 2.2640 2.4436 2.5044 2.8246 2.8821 2.9831 3.1054 3.3439 3.4019 3.4245 3.4423 3.6015 3.6820 3.6821 3.7808 3.8143 3.8994 3.9594 3.9842 4.3839 4.3845 4.4723 4.5006 4.6333 4.8077 5.0732 5.1871 5.2204 5.2409 5.3099 5.3216 5.6123 5.6400 6.4899 6.5079 6.5308 6.5331 9.1997 9.2006 9.7239 9.7291 10.1242 10.1503 10.5018 10.5082 11.5870 11.6433 11.6756 11.7100 k =-0.1510 0.1253 0.1962 ( 6634 PWs) bands (ev): -20.1038 -20.1038 -7.1082 -7.0997 -6.8073 -6.7415 -5.6657 -5.4281 -5.3659 -5.3612 -5.3397 -5.3110 -4.7973 -4.7781 -4.5757 -4.3751 -0.7713 -0.7699 1.8161 1.8211 2.0128 2.0376 2.2275 2.2455 2.4332 2.4909 2.8397 2.8858 2.9918 3.1407 3.3413 3.4020 3.4252 3.4275 3.5782 3.6737 3.6818 3.7622 3.7945 3.8941 3.9365 3.9519 4.4120 4.4377 4.5004 4.5499 4.6250 4.7923 5.1193 5.2203 5.2316 5.2440 5.3285 5.3336 5.6525 5.6817 6.4522 6.4896 6.4979 6.5253 9.1159 9.1189 9.7486 9.7566 10.1528 10.1789 10.5409 10.5479 11.6492 11.7123 11.7392 11.7698 k =-0.1402 0.1164 0.1822 ( 6630 PWs) bands (ev): -20.1038 -20.1038 -7.1079 -7.1008 -6.8101 -6.7468 -5.6463 -5.4150 -5.3620 -5.3571 -5.3322 -5.3017 -4.8077 -4.7820 -4.5867 -4.3940 -0.7806 -0.7792 1.8267 1.8271 1.9934 2.0125 2.2103 2.2280 2.4235 2.4778 2.8512 2.8873 2.9997 3.1746 3.3393 3.3872 3.4243 3.4265 3.5526 3.6643 3.6823 3.7444 3.7703 3.8745 3.9166 3.9367 4.4389 4.4781 4.5425 4.6030 4.6188 4.7775 5.1540 5.2224 5.2374 5.2701 5.3593 5.3646 5.6918 5.7220 6.4069 6.4434 6.4923 6.5189 9.0233 9.0290 9.7868 9.7963 10.1794 10.2051 10.5843 10.5918 11.7082 11.7793 11.7915 11.8117 k =-0.1294 0.1074 0.1682 ( 6628 PWs) bands (ev): -20.1039 -20.1039 -7.1074 -7.1015 -6.8128 -6.7524 -5.6267 -5.4063 -5.3579 -5.3507 -5.3261 -5.2930 -4.8155 -4.7839 -4.5972 -4.4136 -0.7900 -0.7887 1.8333 1.8391 1.9779 1.9899 2.1944 2.2115 2.4144 2.4651 2.8579 2.8858 3.0072 3.2071 3.3377 3.3631 3.4270 3.4284 3.5272 3.6537 3.6836 3.7276 3.7430 3.8504 3.8992 3.9298 4.4642 4.5048 4.5983 4.6141 4.6592 4.7633 5.1750 5.2266 5.2382 5.2828 5.4044 5.4166 5.7301 5.7608 6.3587 6.3948 6.4868 6.5120 8.9266 8.9340 9.8340 9.8442 10.2043 10.2293 10.6318 10.6399 11.7551 11.8177 11.8355 11.8482 k =-0.1186 0.0985 0.1542 ( 6636 PWs) bands (ev): -20.1039 -20.1039 -7.1067 -7.1019 -6.8153 -6.7584 -5.6069 -5.4015 -5.3538 -5.3420 -5.3213 -5.2858 -4.8205 -4.7838 -4.6075 -4.4337 -0.7993 -0.7981 1.8384 1.8521 1.9679 1.9708 2.1798 2.1961 2.4059 2.4528 2.8586 2.8805 3.0151 3.2377 3.3362 3.3364 3.4287 3.4310 3.5052 3.6414 3.6855 3.7118 3.7156 3.8287 3.8838 3.9238 4.4878 4.5254 4.6111 4.6592 4.7173 4.7500 5.1857 5.2313 5.2392 5.2874 5.4610 5.4785 5.7671 5.7979 6.3087 6.3443 6.4810 6.5044 8.8282 8.8368 9.8871 9.8973 10.2278 10.2519 10.6832 10.6920 11.7761 11.8312 11.8503 11.8809 k =-0.1078 0.0895 0.1402 ( 6630 PWs) bands (ev): -20.1040 -20.1040 -7.1058 -7.1020 -6.8178 -6.7646 -5.5870 -5.3993 -5.3500 -5.3326 -5.3174 -5.2805 -4.8224 -4.7821 -4.6173 -4.4545 -0.8084 -0.8072 1.8406 1.8635 1.9574 1.9649 2.1667 2.1820 2.3981 2.4410 2.8521 2.8705 3.0241 3.2649 3.3105 3.3354 3.4264 3.4345 3.4900 3.6272 3.6864 3.6911 3.6983 3.8099 3.8700 3.9170 4.5095 4.5433 4.6095 4.7169 4.7417 4.7766 5.1912 5.2354 5.2402 5.2892 5.5247 5.5442 5.8028 5.8332 6.2577 6.2927 6.4746 6.4961 8.7300 8.7392 9.9433 9.9534 10.2505 10.2733 10.7383 10.7478 11.7710 11.8312 11.8553 11.8731 k =-0.0971 0.0806 0.1261 ( 6634 PWs) bands (ev): -20.1040 -20.1040 -7.1049 -7.1019 -6.8199 -6.7709 -5.5670 -5.3980 -5.3470 -5.3242 -5.3140 -5.2772 -4.8211 -4.7788 -4.6268 -4.4758 -0.8171 -0.8160 1.8390 1.8690 1.9536 1.9696 2.1551 2.1690 2.3909 2.4298 2.8383 2.8549 3.0348 3.2719 3.3046 3.3344 3.4186 3.4391 3.4837 3.6116 3.6707 3.6775 3.6954 3.7935 3.8576 3.9091 4.5292 4.5593 4.6092 4.7208 4.7872 4.8360 5.1943 5.2388 5.2412 5.2902 5.5918 5.6112 5.8369 5.8664 6.2064 6.2406 6.4678 6.4871 8.6335 8.6429 10.0004 10.0102 10.2731 10.2943 10.7968 10.8072 11.7527 11.8186 11.8523 11.8605 k =-0.0863 0.0716 0.1121 ( 6644 PWs) bands (ev): -20.1040 -20.1040 -7.1038 -7.1016 -6.8218 -6.7773 -5.5469 -5.3971 -5.3452 -5.3181 -5.3105 -5.2752 -4.8165 -4.7743 -4.6360 -4.4975 -0.8253 -0.8244 1.8342 1.8660 1.9620 1.9811 2.1449 2.1574 2.3845 2.4192 2.8177 2.8336 3.0468 3.2529 3.3250 3.3333 3.4082 3.4448 3.4842 3.5961 3.6538 3.6629 3.6987 3.7790 3.8464 3.9002 4.5469 4.5737 4.6100 4.7095 4.8468 4.8948 5.1962 5.2416 5.2418 5.2912 5.6597 5.6776 5.8692 5.8974 6.1556 6.1888 6.4604 6.4776 8.5402 8.5495 10.0557 10.0651 10.2966 10.3159 10.8581 10.8696 11.7297 11.7976 11.8452 11.8510 k =-0.0755 0.0627 0.0981 ( 6652 PWs) bands (ev): -20.1041 -20.1041 -7.1027 -7.1012 -6.8233 -6.7836 -5.5270 -5.3960 -5.3450 -5.3154 -5.3064 -5.2739 -4.8088 -4.7687 -4.6447 -4.5196 -0.8329 -0.8320 1.8276 1.8573 1.9794 1.9975 2.1362 2.1470 2.3788 2.4094 2.7919 2.8070 3.0599 3.2341 3.3322 3.3437 3.4007 3.4518 3.4884 3.5821 3.6389 3.6476 3.7030 3.7662 3.8366 3.8905 4.5626 4.5866 4.6119 4.6981 4.9045 4.9520 5.1976 5.2421 5.2442 5.2925 5.7263 5.7421 5.8994 5.9258 6.1064 6.1379 6.4528 6.4676 8.4515 8.4604 10.1066 10.1157 10.3224 10.3392 10.9216 10.9344 11.7063 11.7754 11.8351 11.8414 k =-0.0647 0.0537 0.0841 ( 6646 PWs) bands (ev): -20.1041 -20.1041 -7.1016 -7.1006 -6.8244 -6.7898 -5.5071 -5.3947 -5.3463 -5.3168 -5.3017 -5.2726 -4.7983 -4.7624 -4.6531 -4.5419 -0.8397 -0.8390 1.8207 1.8466 2.0013 2.0170 2.1290 2.1380 2.3740 2.4004 2.7626 2.7765 3.0737 3.2186 3.3309 3.3516 3.4040 3.4600 3.4943 3.5700 3.6250 3.6321 3.7075 3.7553 3.8283 3.8803 4.5762 4.5979 4.6147 4.6871 4.9586 5.0064 5.1989 5.2421 5.2469 5.2942 5.7894 5.8028 5.9270 5.9515 6.0600 6.0892 6.4451 6.4576 8.3690 8.3773 10.1503 10.1591 10.3513 10.3655 10.9864 11.0007 11.6848 11.7556 11.8224 11.8300 k =-0.0539 0.0448 0.0701 ( 6654 PWs) bands (ev): -20.1041 -20.1041 -7.1007 -7.1001 -6.8249 -6.7956 -5.4874 -5.3929 -5.3488 -5.3222 -5.2966 -5.2711 -4.7855 -4.7555 -4.6609 -4.5643 -0.8456 -0.8450 1.8143 1.8359 2.0251 2.0376 2.1235 2.1303 2.3702 2.3923 2.7318 2.7439 3.0878 3.2060 3.3295 3.3484 3.4186 3.4693 3.5012 3.5598 3.6115 3.6164 3.7119 3.7461 3.8216 3.8698 4.5879 4.6076 4.6182 4.6766 5.0079 5.0565 5.2007 5.2420 5.2497 5.2962 5.8464 5.8570 5.9511 5.9741 6.0191 6.0441 6.4375 6.4477 8.2946 8.3020 10.1851 10.1934 10.3836 10.3950 11.0512 11.0672 11.6669 11.7398 11.8076 11.8170 k =-0.0431 0.0358 0.0561 ( 6654 PWs) bands (ev): -20.1042 -20.1042 -7.0998 -7.0995 -6.8248 -6.8012 -5.4681 -5.3909 -5.3522 -5.3308 -5.2914 -5.2699 -4.7710 -4.7485 -4.6681 -4.5867 -0.8506 -0.8501 1.8089 1.8262 2.0485 2.0576 2.1198 2.1242 2.3673 2.3851 2.7018 2.7117 3.1018 3.1952 3.3280 3.3417 3.4371 3.4795 3.5088 3.5511 3.5980 3.6009 3.7158 3.7388 3.8171 3.8594 4.5980 4.6156 4.6221 4.6667 5.0511 5.0996 5.2042 5.2418 5.2530 5.2981 5.8932 5.8991 5.9658 5.9920 5.9946 6.0075 6.4306 6.4385 8.2300 8.2363 10.2109 10.2183 10.4173 10.4260 11.1141 11.1316 11.6543 11.7293 11.7915 11.8034 k =-0.0324 0.0269 0.0420 ( 6653 PWs) bands (ev): -20.1042 -20.1042 -7.0991 -7.0990 -6.8242 -6.8062 -5.4492 -5.3889 -5.3560 -5.3415 -5.2862 -5.2694 -4.7556 -4.7414 -4.6740 -4.6088 -0.8545 -0.8542 1.8050 1.8180 2.0695 2.0747 2.1183 2.1199 2.3656 2.3791 2.6748 2.6824 3.1156 3.1853 3.3266 3.3353 3.4557 3.4900 3.5170 3.5437 3.5845 3.5855 3.7191 3.7333 3.8150 3.8492 4.6069 4.6220 4.6257 4.6572 5.0870 5.1313 5.2117 5.2418 5.2572 5.2993 5.9113 5.9176 5.9717 5.9849 6.0030 6.0109 6.4247 6.4305 8.1772 8.1822 10.2291 10.2352 10.4490 10.4553 11.1723 11.1903 11.6492 11.7246 11.7757 11.7910 k =-0.0216 0.0179 0.0280 ( 6653 PWs) bands (ev): -20.1042 -20.1042 -7.0986 -7.0986 -6.8229 -6.8108 -5.4310 -5.3878 -5.3598 -5.3528 -5.2815 -5.2699 -4.7411 -4.7348 -4.6775 -4.6301 -0.8574 -0.8572 1.8027 1.8113 2.0854 2.0867 2.1183 2.1194 2.3650 2.3740 2.6534 2.6585 3.1290 3.1754 3.3255 3.3303 3.4729 3.4995 3.5258 3.5380 3.5705 3.5712 3.7215 3.7293 3.8155 3.8397 4.6152 4.6266 4.6287 4.6482 5.1148 5.1480 5.2235 5.2418 5.2638 5.2987 5.8977 5.9089 5.9902 5.9940 6.0186 6.0233 6.4202 6.4240 8.1381 8.1415 10.2413 10.2455 10.4751 10.4792 11.2219 11.2380 11.6551 11.7253 11.7616 11.7806 k =-0.0108 0.0090 0.0140 ( 6641 PWs) bands (ev): -20.1042 -20.1042 -7.0983 -7.0983 -6.8208 -6.8148 -5.4140 -5.3902 -5.3631 -5.3618 -5.2774 -5.2714 -4.7306 -4.7295 -4.6758 -4.6498 -0.8591 -0.8590 1.8021 1.8064 2.0930 2.0935 2.1199 2.1217 2.3655 2.3701 2.6399 2.6424 3.1418 3.1650 3.3250 3.3271 3.4878 3.5039 3.5356 3.5371 3.5565 3.5584 3.7233 3.7267 3.8185 3.8311 4.6232 4.6295 4.6305 4.6396 5.1345 5.1517 5.2340 5.2413 5.2742 5.2945 5.8862 5.8930 6.0039 6.0059 6.0308 6.0324 6.4177 6.4196 8.1143 8.1160 10.2486 10.2508 10.4925 10.4945 11.2579 11.2678 11.6755 11.7273 11.7509 11.7628 k = 0.0000 0.0000 0.0000 ( 6637 PWs) bands (ev): -20.1042 -20.1042 -7.0982 -7.0982 -6.8182 -6.8182 -5.3995 -5.3995 -5.3647 -5.3647 -5.2740 -5.2740 -4.7271 -4.7271 -4.6661 -4.6661 -0.8596 -0.8596 1.8034 1.8034 2.0952 2.0952 2.1222 2.1222 2.3672 2.3672 2.6360 2.6360 3.1539 3.1539 3.3254 3.3254 3.4991 3.4991 3.5442 3.5442 3.5466 3.5466 3.7248 3.7248 3.8239 3.8239 4.6304 4.6304 4.6317 4.6317 5.1467 5.1467 5.2393 5.2393 5.2860 5.2860 5.8844 5.8844 6.0093 6.0093 6.0357 6.0357 6.4175 6.4175 8.1068 8.1068 10.2517 10.2517 10.4992 10.4992 11.2745 11.2745 11.7088 11.7088 11.7459 11.7459 k = 0.0000 0.0000 0.0000 ( 6637 PWs) bands (ev): -20.1042 -20.1042 -7.0982 -7.0982 -6.8182 -6.8182 -5.3995 -5.3995 -5.3647 -5.3647 -5.2740 -5.2740 -4.7271 -4.7271 -4.6661 -4.6661 -0.8596 -0.8596 1.8034 1.8034 2.0952 2.0952 2.1222 2.1222 2.3672 2.3672 2.6360 2.6360 3.1539 3.1539 3.3254 3.3254 3.4991 3.4991 3.5442 3.5442 3.5466 3.5466 3.7248 3.7248 3.8239 3.8239 4.6304 4.6304 4.6317 4.6317 5.1467 5.1467 5.2393 5.2393 5.2860 5.2860 5.8844 5.8844 6.0093 6.0093 6.0357 6.0357 6.4175 6.4175 8.1068 8.1068 10.2517 10.2517 10.4992 10.4992 11.2745 11.2745 11.7088 11.7088 11.7459 11.7459 k = 0.0125 0.0151-0.0000 ( 6641 PWs) bands (ev): -20.1042 -20.1042 -7.0993 -7.0993 -6.8169 -6.8169 -5.3994 -5.3994 -5.3661 -5.3661 -5.2735 -5.2735 -4.7260 -4.7260 -4.6665 -4.6665 -0.8597 -0.8597 1.8045 1.8045 2.0963 2.0963 2.1233 2.1233 2.3670 2.3670 2.6356 2.6356 3.1541 3.1541 3.3253 3.3253 3.4992 3.4992 3.5428 3.5428 3.5478 3.5478 3.7248 3.7248 3.8237 3.8237 4.6243 4.6243 4.6328 4.6328 5.1477 5.1477 5.2387 5.2387 5.2854 5.2854 5.8892 5.8892 6.0090 6.0090 6.0354 6.0354 6.4122 6.4122 8.1119 8.1119 10.2531 10.2531 10.4971 10.4971 11.2702 11.2702 11.7043 11.7043 11.7410 11.7410 k = 0.0250 0.0301-0.0000 ( 6665 PWs) bands (ev): -20.1042 -20.1042 -7.1024 -7.1024 -6.8134 -6.8134 -5.3994 -5.3994 -5.3699 -5.3699 -5.2723 -5.2723 -4.7227 -4.7227 -4.6676 -4.6676 -0.8601 -0.8601 1.8078 1.8078 2.0997 2.0997 2.1267 2.1267 2.3663 2.3663 2.6345 2.6345 3.1548 3.1548 3.3248 3.3248 3.4992 3.4992 3.5405 3.5405 3.5496 3.5496 3.7249 3.7249 3.8231 3.8231 4.6121 4.6121 4.6304 4.6304 5.1508 5.1508 5.2370 5.2370 5.2839 5.2839 5.9035 5.9035 6.0082 6.0082 6.0344 6.0344 6.3966 6.3966 8.1272 8.1272 10.2572 10.2572 10.4909 10.4909 11.2577 11.2577 11.6909 11.6909 11.7268 11.7268 k = 0.0375 0.0452-0.0000 ( 6673 PWs) bands (ev): -20.1042 -20.1042 -7.1074 -7.1074 -6.8078 -6.8078 -5.3992 -5.3992 -5.3762 -5.3762 -5.2707 -5.2706 -4.7173 -4.7173 -4.6694 -4.6694 -0.8606 -0.8606 1.8133 1.8133 2.1054 2.1054 2.1322 2.1322 2.3651 2.3651 2.6326 2.6326 3.1559 3.1559 3.3242 3.3242 3.4994 3.4994 3.5379 3.5379 3.5514 3.5515 3.7249 3.7249 3.8221 3.8221 4.5943 4.5943 4.6246 4.6246 5.1554 5.1555 5.2342 5.2342 5.2815 5.2815 5.9267 5.9267 6.0070 6.0070 6.0329 6.0329 6.3713 6.3713 8.1518 8.1518 10.2639 10.2639 10.4804 10.4804 11.2387 11.2387 11.6698 11.6698 11.7041 11.7041 k = 0.0500 0.0602-0.0000 ( 6661 PWs) bands (ev): -20.1041 -20.1041 -7.1139 -7.1139 -6.8004 -6.8004 -5.3988 -5.3988 -5.3845 -5.3845 -5.2688 -5.2688 -4.7099 -4.7099 -4.6716 -4.6716 -0.8613 -0.8613 1.8209 1.8209 2.1133 2.1133 2.1400 2.1400 2.3636 2.3636 2.6300 2.6300 3.1577 3.1577 3.3233 3.3233 3.4996 3.4996 3.5350 3.5350 3.5534 3.5534 3.7250 3.7250 3.8209 3.8209 4.5713 4.5713 4.6162 4.6162 5.1612 5.1612 5.2302 5.2302 5.2784 5.2784 5.9576 5.9576 6.0053 6.0053 6.0311 6.0311 6.3374 6.3374 8.1850 8.1850 10.2734 10.2734 10.4656 10.4656 11.2155 11.2155 11.6421 11.6421 11.6746 11.6746 k = 0.0625 0.0753-0.0000 ( 6661 PWs) bands (ev): -20.1041 -20.1041 -7.1214 -7.1214 -6.7917 -6.7917 -5.3986 -5.3986 -5.3941 -5.3941 -5.2673 -5.2672 -4.7007 -4.7007 -4.6741 -4.6741 -0.8622 -0.8622 1.8308 1.8308 2.1233 2.1233 2.1499 2.1499 2.3615 2.3615 2.6268 2.6268 3.1598 3.1598 3.3221 3.3221 3.4998 3.4998 3.5318 3.5318 3.5555 3.5555 3.7250 3.7250 3.8193 3.8193 4.5439 4.5439 4.6056 4.6056 5.1671 5.1671 5.2250 5.2250 5.2750 5.2750 5.9926 5.9926 6.0046 6.0046 6.0302 6.0302 6.2962 6.2962 8.2256 8.2256 10.2855 10.2855 10.4466 10.4466 11.1905 11.1905 11.6091 11.6091 11.6398 11.6398 k = 0.0750 0.0903-0.0000 ( 6653 PWs) bands (ev): -20.1041 -20.1041 -7.1297 -7.1297 -6.7821 -6.7821 -5.4069 -5.4069 -5.3964 -5.3963 -5.2664 -5.2663 -4.6898 -4.6898 -4.6766 -4.6766 -0.8632 -0.8632 1.8427 1.8427 2.1354 2.1354 2.1618 2.1618 2.3589 2.3589 2.6229 2.6229 3.1624 3.1624 3.3206 3.3206 3.4999 3.4999 3.5282 3.5282 3.5578 3.5578 3.7251 3.7251 3.8174 3.8174 4.5129 4.5129 4.5932 4.5932 5.1722 5.1722 5.2188 5.2188 5.2716 5.2716 5.9994 5.9994 6.0186 6.0186 6.0482 6.0482 6.2488 6.2488 8.2724 8.2724 10.3001 10.3001 10.4232 10.4232 11.1658 11.1658 11.5719 11.5719 11.6014 11.6014 k = 0.0875 0.1054-0.0000 ( 6645 PWs) bands (ev): -20.1041 -20.1041 -7.1384 -7.1384 -6.7719 -6.7719 -5.4198 -5.4198 -5.3947 -5.3947 -5.2666 -5.2665 -4.6788 -4.6788 -4.6775 -4.6775 -0.8643 -0.8643 1.8568 1.8568 2.1495 2.1495 2.1757 2.1757 2.3558 2.3558 2.6185 2.6185 3.1654 3.1654 3.3188 3.3188 3.5000 3.5000 3.5243 3.5243 3.5602 3.5602 3.7251 3.7251 3.8153 3.8153 4.4793 4.4793 4.5794 4.5794 5.1752 5.1752 5.2114 5.2114 5.2689 5.2690 5.9967 5.9967 6.0176 6.0176 6.0945 6.0945 6.1968 6.1968 8.3244 8.3244 10.3171 10.3171 10.3958 10.3958 11.1430 11.1430 11.5315 11.5315 11.5606 11.5606 k = 0.1000 0.1204-0.0000 ( 6649 PWs) bands (ev): -20.1040 -20.1040 -7.1472 -7.1472 -6.7616 -6.7615 -5.4340 -5.4340 -5.3923 -5.3923 -5.2683 -5.2682 -4.6802 -4.6802 -4.6640 -4.6640 -0.8654 -0.8654 1.8730 1.8730 2.1655 2.1655 2.1915 2.1915 2.3521 2.3521 2.6136 2.6136 3.1689 3.1689 3.3166 3.3166 3.5000 3.5000 3.5200 3.5200 3.5630 3.5630 3.7251 3.7251 3.8130 3.8130 4.4438 4.4438 4.5644 4.5644 5.1750 5.1750 5.2029 5.2029 5.2677 5.2677 5.9936 5.9936 6.0140 6.0140 6.1352 6.1352 6.1532 6.1532 8.3807 8.3807 10.3349 10.3349 10.3659 10.3659 11.1233 11.1233 11.4891 11.4891 11.5183 11.5183 k = 0.1125 0.1355-0.0000 ( 6649 PWs) bands (ev): -20.1040 -20.1040 -7.1557 -7.1557 -6.7513 -6.7513 -5.4491 -5.4491 -5.3892 -5.3892 -5.2719 -5.2718 -4.6806 -4.6806 -4.6494 -4.6494 -0.8665 -0.8665 1.8913 1.8913 2.1831 2.1831 2.2091 2.2091 2.3477 2.3477 2.6083 2.6083 3.1727 3.1727 3.3141 3.3141 3.4998 3.4998 3.5154 3.5154 3.5662 3.5662 3.7251 3.7251 3.8106 3.8106 4.4072 4.4072 4.5486 4.5486 5.1707 5.1707 5.1931 5.1931 5.2680 5.2680 5.9901 5.9901 6.0098 6.0098 6.0809 6.0809 6.2059 6.2059 8.4405 8.4405 10.3241 10.3241 10.3631 10.3631 11.1075 11.1075 11.4456 11.4456 11.4755 11.4755 k = 0.1250 0.1506-0.0000 ( 6665 PWs) bands (ev): -20.1039 -20.1039 -7.1638 -7.1638 -6.7413 -6.7413 -5.4650 -5.4650 -5.3852 -5.3852 -5.2778 -5.2777 -4.6796 -4.6796 -4.6340 -4.6340 -0.8676 -0.8676 1.9115 1.9115 2.2024 2.2024 2.2284 2.2284 2.3427 2.3427 2.6027 2.6027 3.1769 3.1769 3.3111 3.3111 3.4993 3.4993 3.5105 3.5105 3.5697 3.5697 3.7250 3.7250 3.8081 3.8081 4.3702 4.3702 4.5321 4.5322 5.1626 5.1626 5.1820 5.1820 5.2694 5.2694 5.9856 5.9856 6.0052 6.0052 6.0216 6.0216 6.2653 6.2653 8.5032 8.5032 10.2858 10.2858 10.3862 10.3862 11.0959 11.0959 11.4020 11.4020 11.4327 11.4327 k = 0.1375 0.1656-0.0000 ( 6649 PWs) bands (ev): -20.1039 -20.1039 -7.1713 -7.1713 -6.7319 -6.7319 -5.4814 -5.4814 -5.3804 -5.3804 -5.2862 -5.2862 -4.6768 -4.6768 -4.6178 -4.6178 -0.8686 -0.8686 1.9337 1.9337 2.2231 2.2231 2.2492 2.2492 2.3371 2.3371 2.5969 2.5969 3.1816 3.1816 3.3077 3.3077 3.4985 3.4985 3.5055 3.5055 3.5737 3.5737 3.7248 3.7248 3.8056 3.8056 4.3332 4.3332 4.5152 4.5152 5.1512 5.1512 5.1693 5.1693 5.2711 5.2711 5.9560 5.9560 5.9861 5.9861 6.0008 6.0008 6.3269 6.3269 8.5683 8.5683 10.2427 10.2427 10.4128 10.4128 11.0884 11.0884 11.3591 11.3591 11.3906 11.3906 k = 0.1500 0.1807-0.0000 ( 6657 PWs) bands (ev): -20.1038 -20.1038 -7.1781 -7.1781 -6.7231 -6.7231 -5.4983 -5.4983 -5.3748 -5.3747 -5.2975 -5.2975 -4.6720 -4.6720 -4.6012 -4.6012 -0.8695 -0.8695 1.9578 1.9578 2.2450 2.2450 2.2714 2.2714 2.3307 2.3307 2.5910 2.5910 3.1866 3.1866 3.3037 3.3037 3.4967 3.4967 3.5010 3.5010 3.5781 3.5781 3.7244 3.7244 3.8033 3.8033 4.2966 4.2966 4.4980 4.4980 5.1372 5.1372 5.1549 5.1549 5.2722 5.2722 5.8954 5.8954 5.9815 5.9815 5.9963 5.9963 6.3899 6.3899 8.6355 8.6355 10.1959 10.1959 10.4416 10.4416 11.0846 11.0846 11.3172 11.3173 11.3497 11.3497 k = 0.1625 0.1957 0.0000 ( 6653 PWs) bands (ev): -20.1037 -20.1037 -7.1839 -7.1839 -6.7151 -6.7151 -5.5156 -5.5156 -5.3683 -5.3683 -5.3117 -5.3117 -4.6649 -4.6649 -4.5841 -4.5841 -0.8703 -0.8703 1.9836 1.9836 2.2679 2.2679 2.2947 2.2947 2.3238 2.3238 2.5851 2.5851 3.1921 3.1921 3.2991 3.2991 3.4927 3.4927 3.4984 3.4984 3.5829 3.5829 3.7239 3.7239 3.8012 3.8012 4.2609 4.2609 4.4805 4.4805 5.1209 5.1209 5.1389 5.1389 5.2719 5.2719 5.8339 5.8339 5.9783 5.9783 5.9919 5.9919 6.4538 6.4538 8.7046 8.7046 10.1457 10.1457 10.4725 10.4725 11.0837 11.0837 11.2770 11.2770 11.3104 11.3104 k = 0.1750 0.2108-0.0000 ( 6641 PWs) bands (ev): -20.1037 -20.1037 -7.1888 -7.1888 -6.7080 -6.7080 -5.5329 -5.5329 -5.3613 -5.3612 -5.3288 -5.3288 -4.6556 -4.6556 -4.5668 -4.5668 -0.8708 -0.8708 2.0112 2.0112 2.2912 2.2912 2.3150 2.3151 2.3206 2.3207 2.5793 2.5793 3.1980 3.1980 3.2938 3.2938 3.4876 3.4876 3.4968 3.4968 3.5881 3.5882 3.7233 3.7233 3.7994 3.7994 4.2264 4.2264 4.4628 4.4628 5.1027 5.1027 5.1215 5.1215 5.2697 5.2697 5.7730 5.7730 5.9755 5.9755 5.9880 5.9880 6.5181 6.5181 8.7753 8.7753 10.0924 10.0924 10.5051 10.5051 11.0846 11.0846 11.2387 11.2387 11.2731 11.2731 k = 0.1875 0.2258-0.0000 ( 6632 PWs) bands (ev): -20.1036 -20.1036 -7.1925 -7.1925 -6.7018 -6.7018 -5.5504 -5.5504 -5.3557 -5.3557 -5.3465 -5.3465 -4.6439 -4.6439 -4.5494 -4.5494 -0.8712 -0.8712 2.0403 2.0403 2.3044 2.3044 2.3188 2.3188 2.3449 2.3449 2.5738 2.5738 3.2043 3.2043 3.2878 3.2878 3.4824 3.4824 3.4952 3.4952 3.5938 3.5938 3.7224 3.7224 3.7979 3.7979 4.1932 4.1932 4.4452 4.4452 5.0826 5.0826 5.1027 5.1027 5.2652 5.2652 5.7131 5.7131 5.9732 5.9732 5.9844 5.9844 6.5824 6.5824 8.8478 8.8478 10.0359 10.0359 10.5392 10.5392 11.0855 11.0855 11.2025 11.2025 11.2380 11.2380 k = 0.2000 0.2409-0.0000 ( 6616 PWs) bands (ev): -20.1036 -20.1036 -7.1952 -7.1951 -6.6967 -6.6966 -5.5678 -5.5678 -5.3733 -5.3733 -5.3432 -5.3432 -4.6299 -4.6299 -4.5319 -4.5319 -0.8713 -0.8713 2.0707 2.0707 2.2967 2.2967 2.3422 2.3422 2.3708 2.3708 2.5686 2.5686 3.2109 3.2109 3.2809 3.2809 3.4777 3.4777 3.4934 3.4934 3.5998 3.5998 3.7213 3.7213 3.7969 3.7969 4.1616 4.1616 4.4275 4.4275 5.0608 5.0608 5.0826 5.0826 5.2583 5.2583 5.6547 5.6547 5.9714 5.9714 5.9815 5.9815 6.6463 6.6463 8.9218 8.9218 9.9766 9.9766 10.5746 10.5746 11.0846 11.0846 11.1685 11.1685 11.2053 11.2053 k = 0.2125 0.2560-0.0000 ( 6620 PWs) bands (ev): -20.1035 -20.1035 -7.1966 -7.1966 -6.6925 -6.6924 -5.5851 -5.5851 -5.3986 -5.3986 -5.3343 -5.3343 -4.6139 -4.6139 -4.5145 -4.5145 -0.8712 -0.8712 2.1023 2.1023 2.2872 2.2872 2.3669 2.3669 2.3973 2.3973 2.5639 2.5639 3.2175 3.2175 3.2735 3.2735 3.4735 3.4735 3.4914 3.4914 3.6061 3.6061 3.7199 3.7199 3.7963 3.7963 4.1317 4.1317 4.4099 4.4099 5.0374 5.0374 5.0613 5.0613 5.2488 5.2488 5.5980 5.5980 5.9701 5.9701 5.9791 5.9791 6.7095 6.7095 8.9974 8.9974 9.9146 9.9146 10.6110 10.6110 11.0801 11.0801 11.1368 11.1368 11.1754 11.1754 k = 0.2250 0.2710-0.0000 ( 6612 PWs) bands (ev): -20.1034 -20.1034 -7.1967 -7.1967 -6.6892 -6.6892 -5.6021 -5.6021 -5.4265 -5.4265 -5.3246 -5.3246 -4.5959 -4.5959 -4.4972 -4.4972 -0.8709 -0.8709 2.1347 2.1347 2.2773 2.2773 2.3915 2.3915 2.4240 2.4240 2.5598 2.5598 3.2233 3.2233 3.2664 3.2664 3.4703 3.4703 3.4894 3.4894 3.6127 3.6127 3.7183 3.7183 3.7963 3.7963 4.1036 4.1036 4.3925 4.3925 5.0126 5.0127 5.0388 5.0388 5.2369 5.2369 5.5434 5.5434 5.9695 5.9695 5.9776 5.9776 6.7717 6.7717 9.0744 9.0744 9.8504 9.8504 10.6479 10.6479 11.0705 11.0705 11.1075 11.1075 11.1481 11.1481 k = 0.2375 0.2861-0.0000 ( 6616 PWs) bands (ev): -20.1033 -20.1033 -7.1956 -7.1956 -6.6870 -6.6870 -5.6189 -5.6189 -5.4566 -5.4565 -5.3144 -5.3144 -4.5762 -4.5762 -4.4802 -4.4802 -0.8704 -0.8704 2.1668 2.1668 2.2679 2.2679 2.4157 2.4157 2.4507 2.4507 2.5564 2.5565 3.2256 3.2256 3.2619 3.2619 3.4681 3.4681 3.4872 3.4872 3.6194 3.6194 3.7165 3.7165 3.7968 3.7968 4.0775 4.0775 4.3751 4.3751 4.9866 4.9866 5.0153 5.0153 5.2227 5.2227 5.4908 5.4908 5.9695 5.9695 5.9768 5.9768 6.8326 6.8326 9.1526 9.1526 9.7842 9.7842 10.6852 10.6852 11.0556 11.0556 11.0806 11.0806 11.1232 11.1232 k = 0.2500 0.3011-0.0000 ( 6628 PWs) bands (ev): -20.1033 -20.1033 -7.1933 -7.1933 -6.6856 -6.6856 -5.6353 -5.6353 -5.4883 -5.4883 -5.3040 -5.3040 -4.5551 -4.5551 -4.4635 -4.4635 -0.8696 -0.8696 2.1962 2.1962 2.2614 2.2614 2.4391 2.4391 2.4772 2.4772 2.5541 2.5541 3.2213 3.2213 3.2635 3.2635 3.4671 3.4671 3.4851 3.4851 3.6261 3.6261 3.7146 3.7146 3.7979 3.7979 4.0532 4.0532 4.3580 4.3580 4.9594 4.9594 4.9907 4.9907 5.2063 5.2063 5.4405 5.4405 5.9702 5.9702 5.9769 5.9769 6.8921 6.8921 9.2318 9.2318 9.7168 9.7168 10.7222 10.7222 11.0366 11.0366 11.0556 11.0557 11.0999 11.0999 k = 0.2625 0.3162-0.0000 ( 6616 PWs) bands (ev): -20.1032 -20.1032 -7.1896 -7.1896 -6.6851 -6.6851 -5.6512 -5.6512 -5.5215 -5.5215 -5.2934 -5.2934 -4.5327 -4.5327 -4.4471 -4.4471 -0.8687 -0.8687 2.2136 2.2136 2.2671 2.2671 2.4612 2.4612 2.5032 2.5032 2.5530 2.5531 3.2108 3.2108 3.2705 3.2705 3.4674 3.4674 3.4833 3.4833 3.6328 3.6328 3.7126 3.7126 3.7995 3.7995 4.0311 4.0311 4.3412 4.3412 4.9311 4.9311 4.9653 4.9653 5.1881 5.1881 5.3925 5.3925 5.9716 5.9716 5.9779 5.9779 6.9498 6.9498 9.3109 9.3109 9.6493 9.6493 10.7588 10.7588 11.0155 11.0155 11.0320 11.0320 11.0773 11.0773 k = 0.2750 0.3312-0.0000 ( 6600 PWs) bands (ev): -20.1031 -20.1031 -7.1847 -7.1847 -6.6855 -6.6855 -5.6667 -5.6667 -5.5559 -5.5558 -5.2827 -5.2827 -4.5095 -4.5095 -4.4313 -4.4313 -0.8676 -0.8676 2.2123 2.2123 2.2912 2.2912 2.4814 2.4814 2.5286 2.5286 2.5540 2.5540 3.1970 3.1970 3.2803 3.2803 3.4690 3.4690 3.4819 3.4819 3.6395 3.6395 3.7106 3.7106 3.8018 3.8018 4.0109 4.0109 4.3246 4.3246 4.9020 4.9020 4.9392 4.9392 5.1684 5.1684 5.3468 5.3468 5.9738 5.9738 5.9799 5.9799 7.0056 7.0056 9.3868 9.3868 9.5852 9.5852 10.7942 10.7942 10.9937 10.9937 11.0092 11.0092 11.0548 11.0548 k = 0.2875 0.3463-0.0000 ( 6584 PWs) bands (ev): -20.1031 -20.1031 -7.1786 -7.1786 -6.6866 -6.6866 -5.6816 -5.6816 -5.5910 -5.5910 -5.2720 -5.2720 -4.4855 -4.4855 -4.4159 -4.4159 -0.8664 -0.8664 2.2029 2.2029 2.3227 2.3227 2.4987 2.4987 2.5531 2.5531 2.5580 2.5580 3.1811 3.1811 3.2915 3.2915 3.4714 3.4714 3.4815 3.4815 3.6460 3.6460 3.7086 3.7086 3.8046 3.8046 3.9928 3.9928 4.3082 4.3082 4.8721 4.8721 4.9124 4.9125 5.1476 5.1476 5.3036 5.3036 5.9766 5.9766 5.9827 5.9827 7.0593 7.0593 9.4382 9.4382 9.5460 9.5460 10.8279 10.8279 10.9721 10.9721 10.9869 10.9869 11.0322 11.0322 k = 0.3000 0.3613-0.0000 ( 6584 PWs) bands (ev): -20.1030 -20.1030 -7.1712 -7.1712 -6.6885 -6.6885 -5.6959 -5.6959 -5.6266 -5.6266 -5.2615 -5.2614 -4.4611 -4.4611 -4.4011 -4.4011 -0.8651 -0.8651 2.1913 2.1913 2.3553 2.3553 2.5122 2.5123 2.5661 2.5661 2.5766 2.5766 3.1640 3.1640 3.3033 3.3033 3.4738 3.4738 3.4832 3.4832 3.6521 3.6521 3.7068 3.7068 3.8080 3.8080 3.9766 3.9766 4.2922 4.2922 4.8416 4.8416 4.8853 4.8853 5.1259 5.1259 5.2626 5.2626 5.9802 5.9802 5.9864 5.9864 7.1107 7.1107 9.4087 9.4087 9.5883 9.5883 10.8589 10.8589 10.9508 10.9508 10.9657 10.9657 11.0097 11.0097 k = 0.3125 0.3764-0.0000 ( 6608 PWs) bands (ev): -20.1029 -20.1029 -7.1628 -7.1628 -6.6910 -6.6910 -5.7096 -5.7096 -5.6623 -5.6623 -5.2511 -5.2511 -4.4366 -4.4366 -4.3869 -4.3869 -0.8637 -0.8637 2.1790 2.1790 2.3867 2.3867 2.5223 2.5224 2.5787 2.5787 2.5988 2.5988 3.1459 3.1459 3.3151 3.3151 3.4756 3.4756 3.4877 3.4877 3.6577 3.6577 3.7051 3.7051 3.8120 3.8120 3.9625 3.9625 4.2765 4.2765 4.8105 4.8106 4.8578 4.8578 5.1039 5.1039 5.2240 5.2240 5.9844 5.9844 5.9907 5.9907 7.1597 7.1597 9.3463 9.3463 9.6644 9.6644 10.8844 10.8844 10.9299 10.9299 10.9472 10.9472 10.9881 10.9881 k = 0.3250 0.3915 0.0000 ( 6604 PWs) bands (ev): -20.1029 -20.1029 -7.1533 -7.1533 -6.6941 -6.6941 -5.7226 -5.7226 -5.6979 -5.6979 -5.2411 -5.2411 -4.4122 -4.4122 -4.3734 -4.3734 -0.8623 -0.8623 2.1664 2.1664 2.4150 2.4150 2.5312 2.5312 2.5947 2.5947 2.6196 2.6196 3.1274 3.1274 3.3266 3.3266 3.4777 3.4777 3.4944 3.4944 3.6628 3.6628 3.7037 3.7037 3.8167 3.8167 3.9502 3.9502 4.2613 4.2613 4.7793 4.7793 4.8303 4.8303 5.0819 5.0819 5.1878 5.1878 5.9893 5.9893 5.9958 5.9958 7.2060 7.2060 9.2798 9.2798 9.7457 9.7457 10.8950 10.8950 10.9091 10.9091 10.9372 10.9372 10.9712 10.9712 k = 0.3375 0.4065-0.0000 ( 6612 PWs) bands (ev): -20.1028 -20.1028 -7.1428 -7.1428 -6.6978 -6.6978 -5.7362 -5.7362 -5.7317 -5.7317 -5.2315 -5.2315 -4.3881 -4.3881 -4.3606 -4.3606 -0.8609 -0.8609 2.1540 2.1540 2.4386 2.4386 2.5411 2.5411 2.6130 2.6130 2.6389 2.6389 3.1086 3.1086 3.3372 3.3372 3.4809 3.4809 3.5026 3.5026 3.6671 3.6671 3.7029 3.7029 3.8220 3.8220 3.9397 3.9397 4.2463 4.2463 4.7479 4.7479 4.8030 4.8030 5.0601 5.0602 5.1538 5.1538 5.9947 5.9947 6.0014 6.0014 7.2497 7.2497 9.2134 9.2134 9.8277 9.8277 10.8837 10.8838 10.8890 10.8890 10.9288 10.9288 10.9725 10.9725 k = 0.3500 0.4216-0.0000 ( 6616 PWs) bands (ev): -20.1027 -20.1027 -7.1315 -7.1315 -6.7020 -6.7020 -5.7679 -5.7679 -5.7459 -5.7459 -5.2224 -5.2224 -4.3647 -4.3647 -4.3486 -4.3486 -0.8594 -0.8594 2.1420 2.1420 2.4560 2.4560 2.5534 2.5534 2.6333 2.6333 2.6567 2.6567 3.0898 3.0898 3.3463 3.3463 3.4858 3.4858 3.5119 3.5119 3.6704 3.6704 3.7025 3.7025 3.8281 3.8281 3.9310 3.9310 4.2318 4.2318 4.7165 4.7165 4.7760 4.7760 5.0391 5.0391 5.1221 5.1221 6.0006 6.0006 6.0074 6.0074 7.2906 7.2906 9.1488 9.1488 9.9092 9.9092 10.8635 10.8635 10.8699 10.8699 10.9119 10.9119 10.9895 10.9895 k = 0.3625 0.4366-0.0000 ( 6616 PWs) bands (ev): -20.1027 -20.1027 -7.1195 -7.1195 -6.7066 -6.7066 -5.8011 -5.8011 -5.7566 -5.7566 -5.2137 -5.2137 -4.3422 -4.3422 -4.3373 -4.3373 -0.8580 -0.8580 2.1304 2.1304 2.4675 2.4675 2.5673 2.5673 2.6556 2.6556 2.6728 2.6728 3.0713 3.0713 3.3537 3.3537 3.4927 3.4927 3.5219 3.5219 3.6728 3.6728 3.7028 3.7028 3.8349 3.8349 3.9241 3.9241 4.2178 4.2178 4.6855 4.6855 4.7496 4.7496 5.0189 5.0189 5.0927 5.0927 6.0069 6.0069 6.0137 6.0137 7.3285 7.3285 9.0868 9.0868 9.9889 9.9889 10.8416 10.8416 10.8504 10.8504 10.8946 10.8946 11.0087 11.0087 k = 0.3750 0.4517-0.0000 ( 6632 PWs) bands (ev): -20.1026 -20.1026 -7.1069 -7.1069 -6.7117 -6.7116 -5.8330 -5.8330 -5.7665 -5.7665 -5.2057 -5.2057 -4.3272 -4.3272 -4.3204 -4.3204 -0.8567 -0.8567 2.1194 2.1194 2.4746 2.4746 2.5814 2.5814 2.6797 2.6798 2.6872 2.6872 3.0532 3.0532 3.3591 3.3591 3.5014 3.5014 3.5323 3.5323 3.6742 3.6742 3.7035 3.7035 3.8424 3.8424 3.9188 3.9188 4.2043 4.2043 4.6550 4.6550 4.7240 4.7240 5.0000 5.0000 5.0656 5.0656 6.0133 6.0133 6.0202 6.0202 7.3634 7.3634 9.0280 9.0280 10.0661 10.0661 10.8193 10.8193 10.8301 10.8301 10.8803 10.8803 11.0268 11.0268 k = 0.3875 0.4667-0.0000 ( 6620 PWs) bands (ev): -20.1026 -20.1026 -7.0940 -7.0940 -6.7170 -6.7170 -5.8632 -5.8632 -5.7755 -5.7755 -5.1982 -5.1982 -4.3176 -4.3176 -4.3002 -4.3002 -0.8555 -0.8555 2.1092 2.1092 2.4789 2.4789 2.5942 2.5942 2.7000 2.7000 2.7054 2.7054 3.0358 3.0358 3.3630 3.3630 3.5115 3.5115 3.5428 3.5428 3.6749 3.6749 3.7044 3.7044 3.8507 3.8507 3.9150 3.9150 4.1915 4.1915 4.6254 4.6254 4.6995 4.6995 4.9824 4.9824 5.0408 5.0408 6.0199 6.0199 6.0267 6.0267 7.3952 7.3952 8.9731 8.9731 10.1395 10.1395 10.7973 10.7973 10.8089 10.8089 10.8709 10.8709 11.0430 11.0430 k = 0.4000 0.4818-0.0000 ( 6636 PWs) bands (ev): -20.1026 -20.1026 -7.0810 -7.0810 -6.7226 -6.7226 -5.8913 -5.8913 -5.7836 -5.7836 -5.1915 -5.1915 -4.3090 -4.3090 -4.2815 -4.2815 -0.8543 -0.8543 2.0998 2.0998 2.4814 2.4814 2.6051 2.6051 2.7112 2.7112 2.7316 2.7316 3.0191 3.0191 3.3653 3.3653 3.5226 3.5226 3.5532 3.5532 3.6752 3.6752 3.7053 3.7053 3.8594 3.8594 3.9126 3.9126 4.1793 4.1793 4.5969 4.5969 4.6764 4.6764 4.9663 4.9663 5.0184 5.0184 6.0264 6.0264 6.0330 6.0330 7.4239 7.4239 8.9224 8.9224 10.2079 10.2079 10.7760 10.7760 10.7876 10.7876 10.8674 10.8674 11.0572 11.0572 k = 0.4125 0.4968 0.0000 ( 6644 PWs) bands (ev): -20.1025 -20.1025 -7.0681 -7.0681 -6.7283 -6.7283 -5.9171 -5.9171 -5.7908 -5.7908 -5.1854 -5.1854 -4.3013 -4.3013 -4.2644 -4.2644 -0.8533 -0.8533 2.0913 2.0913 2.4830 2.4830 2.6142 2.6142 2.7208 2.7208 2.7576 2.7576 3.0031 3.0031 3.3666 3.3666 3.5341 3.5341 3.5631 3.5631 3.6753 3.6753 3.7060 3.7060 3.8684 3.8684 3.9114 3.9114 4.1681 4.1681 4.5699 4.5699 4.6550 4.6550 4.9519 4.9519 4.9984 4.9984 6.0327 6.0327 6.0390 6.0390 7.4493 7.4493 8.8766 8.8766 10.2698 10.2698 10.7557 10.7557 10.7667 10.7667 10.8709 10.8709 11.0692 11.0692 k = 0.4250 0.5119-0.0000 ( 6636 PWs) bands (ev): -20.1025 -20.1025 -7.0557 -7.0557 -6.7340 -6.7340 -5.9402 -5.9402 -5.7970 -5.7970 -5.1801 -5.1801 -4.2947 -4.2947 -4.2493 -4.2493 -0.8524 -0.8524 2.0838 2.0838 2.4840 2.4840 2.6216 2.6216 2.7289 2.7289 2.7827 2.7827 2.9880 2.9880 3.3672 3.3672 3.5453 3.5453 3.5723 3.5723 3.6754 3.6754 3.7062 3.7062 3.8775 3.8775 3.9112 3.9112 4.1579 4.1579 4.5448 4.5448 4.6355 4.6355 4.9393 4.9393 4.9809 4.9809 6.0386 6.0386 6.0446 6.0446 7.4715 7.4715 8.8360 8.8360 10.3237 10.3237 10.7370 10.7370 10.7470 10.7470 10.8823 10.8823 11.0794 11.0794 k = 0.4375 0.5270-0.0000 ( 6628 PWs) bands (ev): -20.1025 -20.1025 -7.0442 -7.0442 -6.7395 -6.7395 -5.9604 -5.9604 -5.8024 -5.8024 -5.1756 -5.1756 -4.2890 -4.2890 -4.2362 -4.2362 -0.8517 -0.8517 2.0773 2.0773 2.4845 2.4845 2.6276 2.6276 2.7356 2.7356 2.8064 2.8064 2.9737 2.9737 3.3673 3.3673 3.5559 3.5559 3.5805 3.5805 3.6756 3.6756 3.7060 3.7060 3.8863 3.8863 3.9117 3.9117 4.1490 4.1490 4.5222 4.5222 4.6183 4.6183 4.9285 4.9285 4.9661 4.9661 6.0440 6.0440 6.0495 6.0495 7.4903 7.4903 8.8010 8.8010 10.3683 10.3683 10.7203 10.7203 10.7291 10.7291 10.9023 10.9023 11.0877 11.0877 k = 0.4500 0.5420-0.0000 ( 6620 PWs) bands (ev): -20.1024 -20.1024 -7.0338 -7.0338 -6.7446 -6.7446 -5.9773 -5.9773 -5.8067 -5.8067 -5.1718 -5.1718 -4.2843 -4.2843 -4.2253 -4.2253 -0.8510 -0.8510 2.0719 2.0719 2.4849 2.4849 2.6323 2.6323 2.7410 2.7410 2.8283 2.8283 2.9600 2.9600 3.3671 3.3671 3.5654 3.5654 3.5873 3.5873 3.6761 3.6761 3.7054 3.7054 3.8943 3.8943 3.9126 3.9126 4.1415 4.1415 4.5026 4.5026 4.6037 4.6037 4.9197 4.9197 4.9538 4.9538 6.0487 6.0487 6.0537 6.0537 7.5058 7.5058 8.7719 8.7719 10.4031 10.4031 10.7061 10.7061 10.7136 10.7136 10.9306 10.9306 11.0945 11.0945 k = 0.4625 0.5571-0.0000 ( 6620 PWs) bands (ev): -20.1024 -20.1024 -7.0252 -7.0252 -6.7490 -6.7490 -5.9907 -5.9907 -5.8102 -5.8102 -5.1689 -5.1689 -4.2806 -4.2806 -4.2167 -4.2167 -0.8506 -0.8506 2.0677 2.0677 2.4851 2.4851 2.6358 2.6358 2.7451 2.7451 2.8481 2.8481 2.9468 2.9468 3.3669 3.3669 3.5734 3.5734 3.5927 3.5927 3.6767 3.6767 3.7044 3.7044 3.9011 3.9011 3.9138 3.9138 4.1356 4.1356 4.4865 4.4865 4.5920 4.5920 4.9128 4.9128 4.9441 4.9441 6.0525 6.0525 6.0570 6.0570 7.5178 7.5178 8.7490 8.7490 10.4284 10.4284 10.6947 10.6947 10.7009 10.7009 10.9656 10.9656 11.1000 11.1000 k = 0.4750 0.5721-0.0000 ( 6600 PWs) bands (ev): -20.1024 -20.1024 -7.0186 -7.0186 -6.7524 -6.7524 -6.0004 -6.0004 -5.8126 -5.8126 -5.1668 -5.1668 -4.2780 -4.2780 -4.2104 -4.2104 -0.8502 -0.8502 2.0647 2.0647 2.4852 2.4852 2.6382 2.6382 2.7479 2.7479 2.8656 2.8656 2.9343 2.9343 3.3666 3.3666 3.5796 3.5796 3.5964 3.5964 3.6775 3.6775 3.7034 3.7034 3.9064 3.9064 3.9149 3.9149 4.1314 4.1314 4.4745 4.4745 4.5834 4.5834 4.9078 4.9078 4.9372 4.9372 6.0553 6.0553 6.0594 6.0594 7.5264 7.5264 8.7325 8.7325 10.4452 10.4452 10.6865 10.6865 10.6914 10.6914 11.0041 11.0041 11.1050 11.1050 k = 0.4875 0.5872-0.0000 ( 6604 PWs) bands (ev): -20.1024 -20.1024 -7.0145 -7.0145 -6.7546 -6.7546 -6.0063 -6.0063 -5.8141 -5.8141 -5.1655 -5.1655 -4.2764 -4.2764 -4.2067 -4.2067 -0.8500 -0.8500 2.0629 2.0629 2.4852 2.4852 2.6396 2.6396 2.7496 2.7496 2.8798 2.8798 2.9231 2.9231 3.3664 3.3664 3.5835 3.5835 3.5985 3.5985 3.6782 3.6782 3.7025 3.7025 3.9096 3.9096 3.9155 3.9156 4.1288 4.1288 4.4671 4.4671 4.5782 4.5782 4.9049 4.9049 4.9330 4.9330 6.0571 6.0571 6.0609 6.0609 7.5316 7.5316 8.7225 8.7225 10.4547 10.4547 10.6815 10.6815 10.6855 10.6855 11.0387 11.0387 11.1110 11.1110 k = 0.5000 0.6022-0.0000 ( 6612 PWs) bands (ev): -20.1024 -20.1024 -7.0131 -7.0131 -6.7553 -6.7553 -6.0083 -6.0083 -5.8146 -5.8146 -5.1651 -5.1651 -4.2759 -4.2759 -4.2054 -4.2054 -0.8499 -0.8499 2.0622 2.0622 2.4853 2.4853 2.6401 2.6401 2.7502 2.7502 2.8866 2.8866 2.9174 2.9174 3.3664 3.3664 3.5849 3.5849 3.5991 3.5991 3.6785 3.6785 3.7022 3.7022 3.9107 3.9107 3.9158 3.9158 4.1279 4.1279 4.4645 4.4645 4.5764 4.5764 4.9039 4.9039 4.9316 4.9316 6.0577 6.0577 6.0614 6.0614 7.5333 7.5333 8.7192 8.7192 10.4577 10.4577 10.6798 10.6798 10.6835 10.6835 11.0541 11.0541 11.1167 11.1167 k = 0.5000 0.6022-0.0000 ( 6612 PWs) bands (ev): -20.1024 -20.1024 -7.0131 -7.0131 -6.7553 -6.7553 -6.0083 -6.0083 -5.8146 -5.8146 -5.1651 -5.1651 -4.2759 -4.2759 -4.2054 -4.2054 -0.8499 -0.8499 2.0622 2.0622 2.4853 2.4853 2.6401 2.6401 2.7502 2.7502 2.8866 2.8866 2.9174 2.9174 3.3664 3.3664 3.5849 3.5849 3.5991 3.5991 3.6785 3.6785 3.7022 3.7022 3.9107 3.9107 3.9158 3.9158 4.1279 4.1279 4.4645 4.4645 4.5764 4.5764 4.9039 4.9039 4.9316 4.9316 6.0577 6.0577 6.0614 6.0614 7.5333 7.5333 8.7192 8.7192 10.4577 10.4577 10.6798 10.6798 10.6835 10.6835 11.0541 11.0541 11.1167 11.1167 k = 0.4902 0.6104 0.0127 ( 6608 PWs) bands (ev): -20.1024 -20.1024 -7.0153 -7.0111 -6.7554 -6.7554 -6.0107 -6.0048 -5.8140 -5.8139 -5.1695 -5.1614 -4.2770 -4.2769 -4.2112 -4.1997 -0.8494 -0.8493 2.0624 2.0644 2.4812 2.4854 2.6280 2.6498 2.7406 2.7542 2.8791 2.8932 2.9124 2.9312 3.3605 3.3712 3.5674 3.5812 3.5885 3.6169 3.6707 3.6913 3.6975 3.7120 3.8987 3.9052 3.9249 3.9258 4.1295 4.1320 4.4587 4.4681 4.5718 4.5802 4.9059 4.9077 4.9315 4.9335 6.0548 6.0584 6.0588 6.0652 7.5297 7.5312 8.7208 8.7219 10.4389 10.4496 10.6804 10.6817 10.6940 10.7034 11.0518 11.0557 11.1144 11.1145 k = 0.4804 0.6185 0.0255 ( 6606 PWs) bands (ev): -20.1024 -20.1024 -7.0177 -7.0095 -6.7555 -6.7555 -6.0121 -6.0003 -5.8122 -5.8120 -5.1745 -5.1584 -4.2800 -4.2800 -4.2171 -4.1941 -0.8477 -0.8475 2.0649 2.0689 2.4738 2.4808 2.6158 2.6549 2.7284 2.7505 2.8798 2.8873 2.9270 2.9456 3.3532 3.3752 3.5357 3.5707 3.5863 3.6140 3.6778 3.7011 3.7022 3.7260 3.8893 3.8948 3.9336 3.9417 4.1366 4.1412 4.4493 4.4697 4.5686 4.5831 4.9126 4.9163 4.9341 4.9373 6.0475 6.0533 6.0614 6.0723 7.5203 7.5234 8.7266 8.7288 10.4045 10.4208 10.6815 10.6818 10.7294 10.7455 11.0495 11.0547 11.1033 11.1050 k = 0.4706 0.6267 0.0382 ( 6610 PWs) bands (ev): -20.1024 -20.1024 -7.0204 -7.0083 -6.7557 -6.7556 -6.0125 -5.9946 -5.8091 -5.8089 -5.1801 -5.1562 -4.2851 -4.2849 -4.2230 -4.1888 -0.8448 -0.8445 2.0697 2.0758 2.4633 2.4703 2.6054 2.6535 2.7159 2.7397 2.8817 2.8887 2.9475 2.9584 3.3442 3.3786 3.5020 3.5535 3.5834 3.5982 3.6872 3.7110 3.7186 3.7420 3.8836 3.8848 3.9416 3.9585 4.1486 4.1546 4.4345 4.4681 4.5697 4.5871 4.9196 4.9263 4.9429 4.9449 6.0359 6.0439 6.0672 6.0828 7.5054 7.5098 8.7366 8.7400 10.3660 10.3846 10.6820 10.6824 10.7742 10.7927 11.0372 11.0426 11.0804 11.0928 k = 0.4608 0.6348 0.0510 ( 6616 PWs) bands (ev): -20.1024 -20.1024 -7.0232 -7.0074 -6.7562 -6.7556 -6.0120 -5.9879 -5.8048 -5.8046 -5.1864 -5.1546 -4.2920 -4.2916 -4.2290 -4.1839 -0.8408 -0.8404 2.0767 2.0849 2.4498 2.4536 2.5981 2.6449 2.7047 2.7244 2.8802 2.9035 2.9686 2.9694 3.3330 3.3814 3.4677 3.5297 3.5796 3.5802 3.6957 3.7191 3.7431 3.7578 3.8756 3.8818 3.9492 3.9762 4.1641 4.1711 4.4140 4.4624 4.5765 4.5948 4.9236 4.9340 4.9590 4.9598 6.0203 6.0307 6.0764 6.0965 7.4850 7.4907 8.7508 8.7552 10.3289 10.3483 10.6823 10.6832 10.8139 10.8330 10.9871 11.0006 11.0830 11.1046 k = 0.4510 0.6430 0.0637 ( 6630 PWs) bands (ev): -20.1024 -20.1024 -7.0263 -7.0069 -6.7567 -6.7556 -6.0105 -5.9801 -5.7992 -5.7992 -5.1931 -5.1539 -4.3006 -4.2999 -4.2354 -4.1795 -0.8358 -0.8353 2.0859 2.0965 2.4312 2.4332 2.5937 2.6305 2.6950 2.7070 2.8823 2.9216 2.9756 2.9919 3.3192 3.3839 3.4339 3.5004 3.5615 3.5769 3.7061 3.7275 3.7680 3.7726 3.8677 3.8843 3.9569 3.9947 4.1816 4.1896 4.3890 4.4527 4.5889 4.6076 4.9265 4.9399 4.9778 4.9815 6.0008 6.0137 6.0888 6.1132 7.4592 7.4660 8.7691 8.7746 10.2958 10.3155 10.6826 10.6840 10.8381 10.8546 10.9232 10.9337 11.1160 11.1341 k = 0.4412 0.6511 0.0765 ( 6636 PWs) bands (ev): -20.1024 -20.1024 -7.0294 -7.0069 -6.7575 -6.7553 -6.0081 -5.9711 -5.7926 -5.7924 -5.2004 -5.1539 -4.3107 -4.3098 -4.2422 -4.1756 -0.8299 -0.8293 2.0973 2.1103 2.4044 2.4134 2.5918 2.6127 2.6862 2.6890 2.8864 2.9404 2.9801 3.0144 3.3018 3.3861 3.4020 3.4668 3.5453 3.5740 3.7184 3.7365 3.7857 3.7909 3.8613 3.8915 3.9653 4.0145 4.1989 4.2089 4.3613 4.4408 4.6061 4.6255 4.9293 4.9456 4.9987 5.0055 5.9777 5.9932 6.1046 6.1330 7.4284 7.4361 8.7915 8.7979 10.2678 10.2874 10.6825 10.6847 10.8277 10.8427 10.8584 10.8822 11.1450 11.1581 k = 0.4313 0.6592 0.0892 ( 6642 PWs) bands (ev): -20.1025 -20.1025 -7.0327 -7.0073 -6.7583 -6.7549 -6.0049 -5.9612 -5.7850 -5.7844 -5.2081 -5.1547 -4.3219 -4.3211 -4.2495 -4.1723 -0.8231 -0.8225 2.1108 2.1264 2.3744 2.3903 2.5912 2.5937 2.6711 2.6780 2.8909 2.9543 2.9867 3.0369 3.2799 3.3737 3.3879 3.4303 3.5314 3.5718 3.7320 3.7463 3.7969 3.8104 3.8568 3.9033 3.9752 4.0358 4.2135 4.2274 4.3334 4.4296 4.6269 4.6477 4.9326 4.9516 5.0205 5.0306 5.9511 5.9693 6.1236 6.1555 7.3930 7.4012 8.8177 8.8251 10.2454 10.2648 10.6814 10.6847 10.7535 10.7732 10.8388 10.8715 11.1520 11.1692 k = 0.4313 0.6592 0.0892 ( 6642 PWs) bands (ev): -20.1025 -20.1025 -7.0327 -7.0073 -6.7583 -6.7549 -6.0049 -5.9612 -5.7850 -5.7844 -5.2081 -5.1547 -4.3219 -4.3211 -4.2495 -4.1723 -0.8231 -0.8225 2.1108 2.1264 2.3744 2.3903 2.5912 2.5937 2.6711 2.6780 2.8909 2.9543 2.9867 3.0369 3.2799 3.3737 3.3879 3.4303 3.5314 3.5718 3.7320 3.7463 3.7969 3.8104 3.8568 3.9033 3.9752 4.0358 4.2135 4.2274 4.3334 4.4296 4.6269 4.6477 4.9326 4.9516 5.0205 5.0306 5.9511 5.9693 6.1236 6.1555 7.3930 7.4012 8.8177 8.8251 10.2454 10.2648 10.6814 10.6847 10.7535 10.7732 10.8388 10.8715 11.1520 11.1692 k = 0.4148 0.6534 0.0983 ( 6645 PWs) bands (ev): -20.1025 -20.1025 -7.0360 -7.0088 -6.7585 -6.7538 -6.0010 -5.9525 -5.7786 -5.7777 -5.2141 -5.1559 -4.3321 -4.3291 -4.2558 -4.1710 -0.8178 -0.8172 2.1219 2.1395 2.3516 2.3720 2.5779 2.5929 2.6562 2.6742 2.8922 2.9550 2.9984 3.0534 3.2615 3.3562 3.3885 3.4042 3.5227 3.5710 3.7421 3.7536 3.8028 3.8226 3.8548 3.9135 3.9838 4.0510 4.2208 4.2372 4.3168 4.4249 4.6437 4.6668 4.9358 4.9566 5.0372 5.0498 5.9299 5.9501 6.1385 6.1727 7.3646 7.3730 8.8404 8.8484 10.2322 10.2517 10.6707 10.6801 10.7015 10.7145 10.8323 10.8653 11.1541 11.1726 k = 0.3982 0.6477 0.1074 ( 6656 PWs) bands (ev): -20.1025 -20.1025 -7.0407 -7.0124 -6.7578 -6.7513 -5.9947 -5.9414 -5.7711 -5.7698 -5.2207 -5.1581 -4.3443 -4.3376 -4.2635 -4.1715 -0.8123 -0.8117 2.1344 2.1542 2.3276 2.3521 2.5608 2.5948 2.6393 2.6717 2.8905 2.9486 3.0156 3.0701 3.2420 3.3409 3.3734 3.3940 3.5150 3.5711 3.7519 3.7610 3.8069 3.8335 3.8541 3.9239 3.9940 4.0652 4.2254 4.2412 4.3064 4.4245 4.6623 4.6891 4.9402 4.9626 5.0565 5.0715 5.9064 5.9287 6.1539 6.1902 7.3331 7.3417 8.8682 8.8768 10.2206 10.2403 10.6133 10.6337 10.6876 10.6929 10.8305 10.8627 11.1548 11.1747 k = 0.3816 0.6419 0.1164 ( 6658 PWs) bands (ev): -20.1025 -20.1025 -7.0470 -7.0180 -6.7560 -6.7474 -5.9859 -5.9281 -5.7626 -5.7608 -5.2279 -5.1611 -4.3580 -4.3469 -4.2729 -4.1735 -0.8066 -0.8058 2.1480 2.1702 2.3032 2.3310 2.5419 2.5969 2.6212 2.6699 2.8859 2.9391 3.0349 3.0851 3.2234 3.3274 3.3477 3.3958 3.5086 3.5720 3.7608 3.7686 3.8101 3.8425 3.8548 3.9339 4.0060 4.0782 4.2269 4.2393 4.3029 4.4278 4.6826 4.7135 4.9457 4.9696 5.0781 5.0956 5.8808 5.9053 6.1694 6.2076 7.2994 7.3079 8.9007 8.9099 10.2102 10.2305 10.5424 10.5652 10.6812 10.6902 10.8348 10.8650 11.1560 11.1778 k = 0.3650 0.6361 0.1255 ( 6654 PWs) bands (ev): -20.1026 -20.1026 -7.0547 -7.0254 -6.7532 -6.7423 -5.9751 -5.9128 -5.7531 -5.7508 -5.2356 -5.1650 -4.3732 -4.3569 -4.2836 -4.1772 -0.8006 -0.7996 2.1622 2.1869 2.2790 2.3088 2.5211 2.5955 2.6052 2.6688 2.8781 2.9291 3.0543 3.0961 3.2090 3.3130 3.3260 3.3987 3.5039 3.5738 3.7687 3.7761 3.8128 3.8496 3.8569 3.9428 4.0198 4.0895 4.2255 4.2352 4.3043 4.4336 4.7041 4.7390 4.9522 4.9775 5.1022 5.1218 5.8531 5.8799 6.1848 6.2246 7.2641 7.2724 8.9374 8.9472 10.2002 10.2214 10.4704 10.4956 10.6732 10.6868 10.8455 10.8727 11.1585 11.1824 k = 0.3484 0.6303 0.1346 ( 6659 PWs) bands (ev): -20.1026 -20.1026 -7.0634 -7.0343 -6.7494 -6.7360 -5.9622 -5.8958 -5.7425 -5.7397 -5.2437 -5.1697 -4.3896 -4.3676 -4.2958 -4.1824 -0.7944 -0.7933 2.1761 2.2025 2.2579 2.2864 2.4979 2.5770 2.6048 2.6682 2.8672 2.9203 3.0721 3.1000 3.2022 3.2936 3.3136 3.4024 3.5008 3.5764 3.7755 3.7831 3.8153 3.8550 3.8599 3.9506 4.0349 4.0991 4.2214 4.2327 4.3079 4.4409 4.7266 4.7647 4.9596 4.9859 5.1285 5.1499 5.8235 5.8527 6.1997 6.2408 7.2280 7.2361 8.9778 8.9881 10.1888 10.2111 10.4009 10.4292 10.6638 10.6818 10.8612 10.8857 11.1625 11.1889 k = 0.3318 0.6245 0.1436 ( 6652 PWs) bands (ev): -20.1026 -20.1026 -7.0731 -7.0445 -6.7447 -6.7287 -5.9476 -5.8773 -5.7311 -5.7276 -5.2523 -5.1752 -4.4073 -4.3788 -4.3094 -4.1890 -0.7880 -0.7867 2.1852 2.2100 2.2493 2.2653 2.4725 2.5531 2.6077 2.6682 2.8542 2.9133 3.0850 3.0972 3.2047 3.2750 3.3063 3.4070 3.4994 3.5799 3.7812 3.7893 3.8179 3.8589 3.8638 3.9572 4.0509 4.1072 4.2169 4.2323 4.3124 4.4486 4.7495 4.7899 4.9679 4.9950 5.1566 5.1794 5.7922 5.8238 6.2136 6.2558 7.1919 7.2000 9.0212 9.0321 10.1725 10.1952 10.3391 10.3706 10.6541 10.6761 10.8802 10.9031 11.1687 11.1978 k = 0.3152 0.6187 0.1527 ( 6649 PWs) bands (ev): -20.1027 -20.1027 -7.0836 -7.0557 -6.7391 -6.7207 -5.9314 -5.8575 -5.7187 -5.7147 -5.2612 -5.1814 -4.4260 -4.3904 -4.3243 -4.1970 -0.7815 -0.7799 2.1776 2.2084 2.2506 2.2617 2.4447 2.5266 2.6111 2.6688 2.8402 2.9079 3.0810 3.0999 3.2134 3.2617 3.3023 3.4128 3.4996 3.5840 3.7857 3.7946 3.8209 3.8619 3.8681 3.9627 4.0671 4.1141 4.2132 4.2337 4.3173 4.4562 4.7725 4.8141 4.9769 5.0043 5.1863 5.2097 5.7595 5.7936 6.2260 6.2690 7.1566 7.1649 9.0670 9.0784 10.1457 10.1654 10.2936 10.3260 10.6455 10.6706 10.9008 10.9239 11.1777 11.2098 k = 0.2986 0.6129 0.1618 ( 6653 PWs) bands (ev): -20.1027 -20.1027 -7.0945 -7.0676 -6.7328 -6.7121 -5.9139 -5.8366 -5.7055 -5.7010 -5.2704 -5.1884 -4.4456 -4.4023 -4.3403 -4.2063 -0.7748 -0.7730 2.1569 2.1962 2.2537 2.2812 2.4148 2.4974 2.6147 2.6698 2.8267 2.9038 3.0678 3.1018 3.2232 3.2564 3.3018 3.4200 3.5016 3.5889 3.7890 3.7990 3.8241 3.8641 3.8726 3.9674 4.0831 4.1207 4.2109 4.2368 4.3223 4.4634 4.7950 4.8367 4.9866 5.0138 5.2167 5.2404 5.7256 5.7623 6.2364 6.2799 7.1232 7.1321 9.1144 9.1262 10.1049 10.1180 10.2688 10.2992 10.6389 10.6664 10.9216 10.9466 11.1906 11.2258 k = 0.2820 0.6071 0.1708 ( 6656 PWs) bands (ev): -20.1027 -20.1027 -7.1058 -7.0800 -6.7259 -6.7030 -5.8951 -5.8150 -5.6916 -5.6866 -5.2799 -5.1960 -4.4659 -4.4144 -4.3575 -4.2168 -0.7681 -0.7660 2.1331 2.1754 2.2676 2.3031 2.3833 2.4660 2.6183 2.6713 2.8142 2.9007 3.0533 3.0967 3.2295 3.2604 3.3059 3.4290 3.5052 3.5944 3.7908 3.8030 3.8274 3.8662 3.8770 3.9716 4.0985 4.1277 4.2098 4.2413 4.3276 4.4700 4.8168 4.8571 4.9971 5.0234 5.2473 5.2706 5.6909 5.7302 6.2444 6.2878 7.0927 7.1024 9.1626 9.1747 10.0536 10.0607 10.2574 10.2860 10.6350 10.6642 10.9416 10.9699 11.2083 11.2466 k = 0.2654 0.6013 0.1799 ( 6641 PWs) bands (ev): -20.1028 -20.1028 -7.1172 -7.0926 -6.7183 -6.6938 -5.8754 -5.7927 -5.6772 -5.6716 -5.2894 -5.2043 -4.4866 -4.4265 -4.3757 -4.2284 -0.7613 -0.7589 2.1088 2.1525 2.2839 2.3251 2.3515 2.4333 2.6220 2.6732 2.8033 2.8982 3.0390 3.0859 3.2321 3.2696 3.3158 3.4399 3.5105 3.6004 3.7911 3.8063 3.8312 3.8684 3.8813 3.9757 4.1125 4.1355 4.2102 4.2469 4.3333 4.4760 4.8371 4.8747 5.0083 5.0331 5.2774 5.2995 5.6562 5.6979 6.2493 6.2923 7.0660 7.0768 9.2109 9.2231 9.9978 10.0014 10.2520 10.2801 10.6343 10.6646 10.9607 10.9928 11.2317 11.2726 k = 0.2489 0.5955 0.1890 ( 6637 PWs) bands (ev): -20.1028 -20.1028 -7.1285 -7.1052 -6.7104 -6.6844 -5.8548 -5.7701 -5.6622 -5.6563 -5.2990 -5.2132 -4.5076 -4.4384 -4.3948 -4.2411 -0.7544 -0.7518 2.0849 2.1294 2.2955 2.3218 2.3476 2.4019 2.6255 2.6753 2.7939 2.8962 3.0255 3.0718 3.2331 3.2783 3.3313 3.4527 3.5173 3.6068 3.7899 3.8089 3.8354 3.8712 3.8855 3.9800 4.1248 4.1447 4.2118 4.2532 4.3397 4.4816 4.8551 4.8887 5.0204 5.0431 5.3058 5.3262 5.6222 5.6661 6.2509 6.2929 7.0440 7.0560 9.2582 9.2704 9.9414 9.9444 10.2486 10.2769 10.6371 10.6681 10.9794 11.0149 11.2610 11.3038 k = 0.2323 0.5897 0.1980 ( 6635 PWs) bands (ev): -20.1029 -20.1029 -7.1396 -7.1177 -6.7021 -6.6751 -5.8336 -5.7473 -5.6471 -5.6405 -5.3086 -5.2226 -4.5286 -4.4500 -4.4147 -4.2547 -0.7476 -0.7447 2.0619 2.1067 2.2750 2.3224 2.3525 2.3893 2.6289 2.6776 2.7859 2.8942 3.0131 3.0561 3.2333 3.2852 3.3505 3.4674 3.5258 3.6137 3.7875 3.8103 3.8404 3.8750 3.8896 3.9851 4.1349 4.1551 4.2148 4.2599 4.3471 4.4868 4.8699 4.8985 5.0331 5.0540 5.3316 5.3493 5.5903 5.6357 6.2490 6.2894 7.0273 7.0403 9.3039 9.3158 9.8871 9.8908 10.2451 10.2737 10.6438 10.6749 10.9985 11.0366 11.2958 11.3398 k = 0.2157 0.5840 0.2071 ( 6629 PWs) bands (ev): -20.1029 -20.1029 -7.1504 -7.1299 -6.6936 -6.6660 -5.8118 -5.7246 -5.6319 -5.6246 -5.3181 -5.2326 -4.5494 -4.4610 -4.4352 -4.2692 -0.7408 -0.7378 2.0399 2.0850 2.2417 2.3091 2.3535 2.4067 2.6319 2.6800 2.7790 2.8918 3.0018 3.0402 3.2334 3.2901 3.3713 3.4834 3.5359 3.6210 3.7839 3.8107 3.8457 3.8800 3.8943 3.9911 4.1434 4.1660 4.2191 4.2666 4.3560 4.4919 4.8803 4.9034 5.0464 5.0664 5.3529 5.3671 5.5625 5.6082 6.2437 6.2821 7.0163 7.0301 9.3471 9.3585 9.8369 9.8413 10.2401 10.2689 10.6543 10.6849 11.0192 11.0589 11.3354 11.3799 k = 0.1991 0.5782 0.2161 ( 6631 PWs) bands (ev): -20.1029 -20.1029 -7.1607 -7.1417 -6.6850 -6.6572 -5.7897 -5.7022 -5.6170 -5.6086 -5.3274 -5.2430 -4.5697 -4.4714 -4.4560 -4.2843 -0.7342 -0.7310 2.0193 2.0644 2.2077 2.2765 2.3697 2.4297 2.6346 2.6824 2.7731 2.8888 2.9919 3.0249 3.2336 3.2935 3.3921 3.5001 3.5474 3.6289 3.7795 3.8103 3.8507 3.8855 3.9008 3.9983 4.1506 4.1766 4.2246 4.2733 4.3666 4.4971 4.8849 4.9030 5.0601 5.0805 5.3661 5.3782 5.5417 5.5860 6.2354 6.2713 7.0106 7.0250 9.3871 9.3977 9.7917 9.7967 10.2327 10.2612 10.6683 10.6980 11.0427 11.0828 11.3786 11.4233 k = 0.1825 0.5724 0.2252 ( 6636 PWs) bands (ev): -20.1030 -20.1030 -7.1704 -7.1530 -6.6764 -6.6488 -5.7673 -5.6803 -5.6025 -5.5926 -5.3363 -5.2538 -4.5891 -4.4816 -4.4763 -4.3001 -0.7277 -0.7244 2.0002 2.0451 2.1741 2.2415 2.3879 2.4533 2.6366 2.6846 2.7679 2.8845 2.9834 3.0109 3.2341 3.2954 3.4117 3.5167 3.5600 3.6378 3.7742 3.8095 3.8550 3.8902 3.9111 4.0069 4.1568 4.1867 4.2311 4.2797 4.3791 4.5027 4.8830 4.8970 5.0746 5.0961 5.3659 5.3829 5.5306 5.5716 6.2247 6.2578 7.0100 7.0245 9.4231 9.4326 9.7522 9.7577 10.2221 10.2502 10.6854 10.7136 11.0695 11.1093 11.4245 11.4694 k = 0.1659 0.5666 0.2343 ( 6637 PWs) bands (ev): -20.1030 -20.1030 -7.1795 -7.1636 -6.6678 -6.6409 -5.7449 -5.6591 -5.5888 -5.5770 -5.3449 -5.2651 -4.6074 -4.4997 -4.4878 -4.3163 -0.7214 -0.7181 1.9827 2.0274 2.1417 2.2070 2.4064 2.4768 2.6378 2.6866 2.7633 2.8787 2.9761 2.9987 3.2351 3.2962 3.4297 3.5319 3.5734 3.6482 3.7683 3.8088 3.8586 3.8934 3.9256 4.0169 4.1621 4.1963 4.2383 4.2856 4.3938 4.5088 4.8744 4.8851 5.0901 5.1123 5.3533 5.3791 5.5293 5.5667 6.2124 6.2425 7.0136 7.0279 9.4545 9.4627 9.7191 9.7251 10.2082 10.2353 10.7049 10.7311 11.1001 11.1387 11.4724 11.5178 k = 0.1493 0.5608 0.2433 ( 6645 PWs) bands (ev): -20.1031 -20.1031 -7.1879 -7.1736 -6.6594 -6.6336 -5.7225 -5.6389 -5.5758 -5.5620 -5.3529 -5.2766 -4.6244 -4.5208 -4.4947 -4.3330 -0.7155 -0.7122 1.9671 2.0115 2.1108 2.1737 2.4247 2.4998 2.6381 2.6884 2.7595 2.8711 2.9699 2.9885 3.2366 3.2959 3.4460 3.5448 3.5868 3.6610 3.7618 3.8084 3.8616 3.8956 3.9432 4.0285 4.1664 4.2061 4.2455 4.2913 4.4104 4.5155 4.8596 4.8674 5.1062 5.1284 5.3336 5.3663 5.5353 5.5694 6.1993 6.2263 7.0205 7.0343 9.4803 9.4871 9.6933 9.6998 10.1912 10.2170 10.7258 10.7497 11.1341 11.1710 11.5215 11.5681 k = 0.1327 0.5550 0.2524 ( 6642 PWs) bands (ev): -20.1031 -20.1031 -7.1955 -7.1827 -6.6514 -6.6271 -5.7003 -5.6198 -5.5639 -5.5479 -5.3604 -5.2885 -4.6395 -4.5418 -4.4998 -4.3498 -0.7099 -0.7067 1.9534 1.9973 2.0819 2.1422 2.4426 2.5221 2.6371 2.6897 2.7563 2.8618 2.9648 2.9804 3.2387 3.2948 3.4607 3.5546 3.5993 3.6763 3.7549 3.8083 3.8643 3.8972 3.9629 4.0416 4.1700 4.2170 4.2522 4.2965 4.4286 4.5229 4.8389 4.8445 5.1226 5.1439 5.3108 5.3473 5.5453 5.5764 6.1862 6.2101 7.0298 7.0428 9.4995 9.5050 9.6757 9.6830 10.1713 10.1955 10.7472 10.7684 11.1710 11.2055 11.5718 11.6203 k = 0.1161 0.5492 0.2615 ( 6646 PWs) bands (ev): -20.1031 -20.1031 -7.2022 -7.1910 -6.6437 -6.6214 -5.6786 -5.6024 -5.5529 -5.5350 -5.3670 -5.3005 -4.6526 -4.5624 -4.5031 -4.3667 -0.7047 -0.7017 1.9417 1.9851 2.0552 2.1128 2.4601 2.5434 2.6350 2.6907 2.7540 2.8508 2.9607 2.9743 3.2412 3.2929 3.4740 3.5611 3.6108 3.6932 3.7481 3.8086 3.8670 3.8981 3.9835 4.0558 4.1732 4.2297 4.2579 4.3016 4.4481 4.5308 4.8128 4.8178 5.1386 5.1581 5.2876 5.3254 5.5570 5.5851 6.1737 6.1946 7.0405 7.0524 9.5113 9.5160 9.6669 9.6749 10.1494 10.1719 10.7681 10.7864 11.2094 11.2412 11.6230 11.6742 k = 0.0995 0.5434 0.2705 ( 6648 PWs) bands (ev): -20.1031 -20.1031 -7.2080 -7.1984 -6.6365 -6.6166 -5.6576 -5.5869 -5.5428 -5.5237 -5.3728 -5.3125 -4.6634 -4.5822 -4.5044 -4.3834 -0.7000 -0.6973 1.9323 1.9748 2.0312 2.0858 2.4770 2.5633 2.6317 2.6911 2.7526 2.8387 2.9576 2.9697 3.2441 3.2905 3.4862 3.5644 3.6216 3.7091 3.7425 3.8089 3.8699 3.8986 4.0043 4.0705 4.1770 4.2444 4.2624 4.3064 4.4682 4.5386 4.7823 4.7886 5.1535 5.1707 5.2656 5.3028 5.5689 5.5937 6.1625 6.1804 7.0518 7.0623 9.5165 9.5205 9.6664 9.6747 10.1265 10.1469 10.7876 10.8029 11.2480 11.2766 11.6751 11.7299 k = 0.0830 0.5376 0.2796 ( 6640 PWs) bands (ev): -20.1032 -20.1032 -7.2128 -7.2048 -6.6299 -6.6127 -5.6375 -5.5740 -5.5337 -5.5143 -5.3773 -5.3244 -4.6716 -4.6009 -4.5037 -4.3999 -0.6959 -0.6935 1.9252 1.9662 2.0104 2.0614 2.4935 2.5807 2.6283 2.6908 2.7522 2.8258 2.9555 2.9661 3.2475 3.2875 3.4974 3.5650 3.6318 3.7174 3.7436 3.8089 3.8729 3.8985 4.0241 4.0841 4.1826 4.2601 4.2666 4.3114 4.4884 4.5458 4.7497 4.7578 5.1667 5.1810 5.2461 5.2812 5.5800 5.6014 6.1528 6.1677 7.0627 7.0718 9.5171 9.5206 9.6719 9.6800 10.1036 10.1218 10.8050 10.8174 11.2850 11.3101 11.7280 11.7866 k = 0.0664 0.5318 0.2887 ( 6638 PWs) bands (ev): -20.1032 -20.1032 -7.2167 -7.2103 -6.6240 -6.6098 -5.6187 -5.5643 -5.5252 -5.5070 -5.3805 -5.3361 -4.6770 -4.6183 -4.5010 -4.4158 -0.6923 -0.6904 1.9204 1.9586 1.9938 2.0399 2.5094 2.5925 2.6277 2.6897 2.7529 2.8127 2.9543 2.9632 3.2512 3.2840 3.5078 3.5633 3.6418 3.7143 3.7544 3.8084 3.8763 3.8979 4.0423 4.0945 4.1916 4.2653 4.2811 4.3166 4.5076 4.5515 4.7173 4.7265 5.1770 5.1886 5.2304 5.2621 5.5900 5.6075 6.1450 6.1570 7.0728 7.0803 9.5157 9.5185 9.6805 9.6880 10.0823 10.0979 10.8198 10.8294 11.3189 11.3400 11.7812 11.8436 k = 0.0498 0.5260 0.2977 ( 6639 PWs) bands (ev): -20.1032 -20.1032 -7.2195 -7.2147 -6.6189 -6.6080 -5.6015 -5.5583 -5.5174 -5.5019 -5.3818 -5.3471 -4.6794 -4.6342 -4.4962 -4.4311 -0.6895 -0.6879 1.9181 1.9507 1.9827 2.0212 2.5246 2.5940 2.6347 2.6873 2.7546 2.8000 2.9538 2.9608 3.2551 3.2803 3.5175 3.5599 3.6516 3.7069 3.7670 3.8070 3.8797 3.8967 4.0583 4.1002 4.2044 4.2647 4.2996 4.3222 4.5248 4.5551 4.6877 4.6967 5.1830 5.1925 5.2209 5.2469 5.5985 5.6120 6.1392 6.1482 7.0814 7.0871 9.5138 9.5158 9.6900 9.6964 10.0640 10.0765 10.8317 10.8387 11.3480 11.3646 11.8335 11.8991 k = 0.0332 0.5203 0.3068 ( 6633 PWs) bands (ev): -20.1032 -20.1032 -7.2214 -7.2182 -6.6146 -6.6072 -5.5864 -5.5564 -5.5105 -5.4993 -5.3811 -5.3572 -4.6789 -4.6480 -4.4895 -4.4454 -0.6873 -0.6863 1.9183 1.9420 1.9781 2.0057 2.5392 2.5875 2.6465 2.6833 2.7578 2.7881 2.9539 2.9588 3.2592 3.2763 3.5265 3.5551 3.6613 3.6984 3.7782 3.8044 3.8833 3.8950 4.0720 4.1011 4.2194 4.2615 4.3163 4.3279 4.5387 4.5565 4.6638 4.6714 5.1844 5.1916 5.2191 5.2365 5.6054 5.6146 6.1354 6.1414 7.0882 7.0920 9.5122 9.5136 9.6985 9.7033 10.0502 10.0590 10.8406 10.8451 11.3709 11.3824 11.8830 11.9503 k = 0.0166 0.5145 0.3159 ( 6635 PWs) bands (ev): -20.1032 -20.1032 -7.2221 -7.2205 -6.6112 -6.6075 -5.5739 -5.5585 -5.5049 -5.4990 -5.3782 -5.3660 -4.6753 -4.6597 -4.4809 -4.4587 -0.6859 -0.6854 1.9210 1.9334 1.9791 1.9934 2.5530 2.5776 2.6586 2.6773 2.7625 2.7777 2.9546 2.9570 3.2635 3.2721 3.5348 3.5492 3.6708 3.6894 3.7875 3.8005 3.8868 3.8927 4.0832 4.0981 4.2340 4.2555 4.3282 4.3325 4.5481 4.5560 4.6487 4.6534 5.1840 5.1880 5.2219 5.2302 5.6106 5.6152 6.1337 6.1368 7.0927 7.0947 9.5114 9.5120 9.7048 9.7074 10.0422 10.0468 10.8463 10.8485 11.3865 11.3923 11.9271 11.9844 k = 0.0000 0.5087 0.3249 ( 6636 PWs) bands (ev): -20.1032 -20.1032 -7.2219 -7.2219 -6.6089 -6.6089 -5.5645 -5.5645 -5.5010 -5.5010 -5.3731 -5.3731 -4.6689 -4.6689 -4.4705 -4.4705 -0.6852 -0.6852 1.9261 1.9261 1.9844 1.9844 2.5659 2.5659 2.6691 2.6691 2.7691 2.7691 2.9556 2.9556 3.2678 3.2678 3.5424 3.5424 3.6802 3.6802 3.7949 3.7949 3.8900 3.8900 4.0920 4.0920 4.2464 4.2464 4.3334 4.3334 4.5535 4.5535 4.6452 4.6452 5.1849 5.1849 5.2258 5.2258 5.6138 5.6138 6.1342 6.1342 7.0949 7.0949 9.5113 9.5113 9.7080 9.7080 10.0410 10.0410 10.8489 10.8489 11.3937 11.3937 11.9631 11.9631 k = 0.0000 0.5087 0.3249 ( 6636 PWs) bands (ev): -20.1032 -20.1032 -7.2219 -7.2219 -6.6089 -6.6089 -5.5645 -5.5645 -5.5010 -5.5010 -5.3731 -5.3731 -4.6689 -4.6689 -4.4705 -4.4705 -0.6852 -0.6852 1.9261 1.9261 1.9844 1.9844 2.5659 2.5659 2.6691 2.6691 2.7691 2.7691 2.9556 2.9556 3.2678 3.2678 3.5424 3.5424 3.6802 3.6802 3.7949 3.7949 3.8900 3.8900 4.0920 4.0920 4.2464 4.2464 4.3334 4.3334 4.5535 4.5535 4.6452 4.6452 5.1849 5.1849 5.2258 5.2258 5.6138 5.6138 6.1342 6.1342 7.0949 7.0949 9.5113 9.5113 9.7080 9.7080 10.0410 10.0410 10.8489 10.8489 11.3937 11.3937 11.9631 11.9631 k = 0.0104 0.5000 0.3385 ( 6632 PWs) bands (ev): -20.1032 -20.1032 -7.2230 -7.2202 -6.6129 -6.6053 -5.5659 -5.5646 -5.5020 -5.5000 -5.3825 -5.3629 -4.6751 -4.6620 -4.4708 -4.4703 -0.6859 -0.6834 1.9250 1.9266 1.9832 1.9849 2.5618 2.5678 2.6553 2.6819 2.7440 2.7930 2.9527 2.9630 3.2651 3.2681 3.5379 3.5430 3.6770 3.6832 3.7839 3.8033 3.8692 3.9131 4.0898 4.0928 4.2380 4.2474 4.3242 4.3549 4.5511 4.5601 4.6437 4.6507 5.1769 5.1815 5.2309 5.2354 5.6118 5.6153 6.1335 6.1354 7.0920 7.0921 9.5045 9.5079 9.7095 9.7100 10.0439 10.0457 10.8465 10.8481 11.3891 11.3919 11.9526 11.9642 k = 0.0208 0.4914 0.3520 ( 6638 PWs) bands (ev): -20.1032 -20.1032 -7.2235 -7.2180 -6.6174 -6.6021 -5.5692 -5.5659 -5.5021 -5.4999 -5.3904 -5.3528 -4.6806 -4.6547 -4.4711 -4.4701 -0.6855 -0.6805 1.9231 1.9264 1.9813 1.9848 2.5548 2.5675 2.6425 2.6894 2.7231 2.8130 2.9554 2.9737 3.2599 3.2660 3.5300 3.5400 3.6734 3.6857 3.7731 3.8028 3.8570 3.9362 4.0875 4.0907 4.2282 4.2376 4.3319 4.3818 4.5535 4.5702 4.6467 4.6598 5.1645 5.1708 5.2467 5.2526 5.6091 5.6161 6.1332 6.1370 7.0833 7.0835 9.4884 9.4950 9.7145 9.7155 10.0540 10.0574 10.8408 10.8439 11.3784 11.3838 11.9324 11.9522 k = 0.0312 0.4827 0.3655 ( 6636 PWs) bands (ev): -20.1032 -20.1032 -7.2234 -7.2152 -6.6221 -6.5996 -5.5744 -5.5681 -5.5016 -5.5009 -5.3960 -5.3431 -4.6851 -4.6470 -4.4715 -4.4700 -0.6840 -0.6766 1.9206 1.9255 1.9788 1.9840 2.5444 2.5646 2.6321 2.6800 2.7194 2.8273 2.9647 2.9867 3.2524 3.2614 3.5195 3.5337 3.6689 3.6867 3.7642 3.7890 3.8582 3.9579 4.0847 4.0860 4.2192 4.2234 4.3514 4.4110 4.5608 4.5826 4.6551 4.6725 5.1516 5.1590 5.2668 5.2731 5.6058 5.6161 6.1333 6.1390 7.0689 7.0691 9.4647 9.4740 9.7230 9.7243 10.0699 10.0745 10.8322 10.8365 11.3623 11.3697 11.9030 11.9255 k = 0.0417 0.4741 0.3791 ( 6640 PWs) bands (ev): -20.1032 -20.1032 -7.2227 -7.2120 -6.6272 -6.5975 -5.5813 -5.5714 -5.5052 -5.4984 -5.3989 -5.3344 -4.6886 -4.6392 -4.4718 -4.4699 -0.6813 -0.6716 1.9175 1.9240 1.9758 1.9825 2.5304 2.5578 2.6250 2.6620 2.7264 2.8355 2.9798 3.0009 3.2426 3.2545 3.5071 3.5250 3.6625 3.6851 3.7581 3.7689 3.8663 3.9766 4.0750 4.0864 4.2111 4.2115 4.3774 4.4415 4.5727 4.5962 4.6699 4.6886 5.1391 5.1476 5.2893 5.2957 5.6018 5.6155 6.1337 6.1413 7.0489 7.0492 9.4358 9.4471 9.7346 9.7363 10.0897 10.0950 10.8211 10.8263 11.3416 11.3503 11.8667 11.8889 k = 0.0521 0.4654 0.3926 ( 6642 PWs) bands (ev): -20.1032 -20.1032 -7.2215 -7.2082 -6.6324 -6.5961 -5.5897 -5.5758 -5.5105 -5.4947 -5.3991 -5.3268 -4.6910 -4.6314 -4.4722 -4.4698 -0.6776 -0.6658 1.9138 1.9217 1.9721 1.9802 2.5137 2.5462 2.6208 2.6472 2.7341 2.8388 2.9989 3.0158 3.2306 3.2453 3.4936 3.5149 3.6541 3.6796 3.7490 3.7552 3.8763 3.9888 4.0652 4.0889 4.2025 4.2051 4.4077 4.4729 4.5889 4.6105 4.6911 4.7083 5.1273 5.1370 5.3136 5.3195 5.5973 5.6141 6.1343 6.1438 7.0236 7.0237 9.4036 9.4166 9.7492 9.7512 10.1115 10.1173 10.8081 10.8138 11.3170 11.3263 11.8266 11.8473 k = 0.0625 0.4568 0.4062 ( 6642 PWs) bands (ev): -20.1032 -20.1032 -7.2197 -7.2041 -6.6378 -6.5954 -5.5991 -5.5818 -5.5161 -5.4900 -5.3972 -5.3205 -4.6921 -4.6238 -4.4726 -4.4699 -0.6729 -0.6591 1.9096 1.9188 1.9679 1.9773 2.4954 2.5296 2.6191 2.6379 2.7408 2.8388 3.0197 3.0303 3.2166 3.2341 3.4796 3.5041 3.6442 3.6686 3.7324 3.7549 3.8865 3.9881 4.0630 4.0938 4.1973 4.2000 4.4412 4.5050 4.6089 4.6256 4.7184 4.7317 5.1162 5.1271 5.3390 5.3440 5.5921 5.6119 6.1349 6.1463 6.9931 6.9931 9.3701 9.3843 9.7664 9.7687 10.1337 10.1398 10.7938 10.7997 11.2892 11.2981 11.7847 11.8037 k = 0.0729 0.4481 0.4197 ( 6646 PWs) bands (ev): -20.1032 -20.1032 -7.2174 -7.1995 -6.6432 -6.5952 -5.6092 -5.5897 -5.5210 -5.4847 -5.3939 -5.3158 -4.6919 -4.6164 -4.4730 -4.4699 -0.6672 -0.6517 1.9049 1.9153 1.9631 1.9736 2.4766 2.5098 2.6191 2.6331 2.7462 2.8363 3.0403 3.0439 3.2008 3.2210 3.4655 3.4932 3.6335 3.6523 3.7202 3.7563 3.8963 3.9736 4.0711 4.1008 4.1948 4.1961 4.4774 4.5380 4.6321 4.6424 4.7505 4.7589 5.1057 5.1179 5.3650 5.3688 5.5863 5.6088 6.1353 6.1486 6.9574 6.9577 9.3369 9.3520 9.7858 9.7882 10.1552 10.1614 10.7793 10.7848 11.2582 11.2662 11.7430 11.7603 k = 0.0833 0.4395 0.4332 ( 6648 PWs) bands (ev): -20.1032 -20.1032 -7.2145 -7.1947 -6.6486 -6.5958 -5.6197 -5.5997 -5.5244 -5.4788 -5.3896 -5.3127 -4.6905 -4.6093 -4.4733 -4.4701 -0.6607 -0.6437 1.8997 1.9112 1.9578 1.9693 2.4580 2.4887 2.6204 2.6313 2.7503 2.8320 3.0561 3.0597 3.1834 3.2065 3.4517 3.4828 3.6226 3.6328 3.7110 3.7586 3.9054 3.9522 4.0839 4.1095 4.1934 4.1942 4.5160 4.5720 4.6581 4.6614 4.7865 4.7896 5.0959 5.1093 5.3911 5.3931 5.5799 5.6048 6.1355 6.1507 6.9171 6.9177 9.3054 9.3211 9.8068 9.8093 10.1748 10.1811 10.7654 10.7704 11.2242 11.2306 11.7029 11.7186 k = 0.0938 0.4308 0.4468 ( 6642 PWs) bands (ev): -20.1032 -20.1032 -7.2112 -7.1897 -6.6539 -6.5970 -5.6306 -5.6113 -5.5261 -5.4727 -5.3850 -5.3110 -4.6878 -4.6027 -4.4736 -4.4703 -0.6534 -0.6353 1.8942 1.9066 1.9521 1.9643 2.4402 2.4676 2.6227 2.6312 2.7533 2.8260 3.0663 3.0770 3.1649 3.1910 3.4386 3.4733 3.6122 3.6124 3.7033 3.7608 3.9135 3.9290 4.0978 4.1191 4.1920 4.1951 4.5568 4.6072 4.6832 4.6864 4.8238 4.8254 5.0868 5.1011 5.4164 5.4165 5.5727 5.5998 6.1353 6.1522 6.8723 6.8734 9.2766 9.2927 9.8289 9.8314 10.1918 10.1981 10.7534 10.7576 11.1872 11.1917 11.6655 11.6798 k = 0.1042 0.4222 0.4603 ( 6646 PWs) bands (ev): -20.1032 -20.1032 -7.2075 -7.1844 -6.6590 -6.5989 -5.6415 -5.6241 -5.5261 -5.4663 -5.3801 -5.3108 -4.6841 -4.5967 -4.4740 -4.4705 -0.6455 -0.6264 1.8884 1.9015 1.9459 1.9588 2.4236 2.4476 2.6258 2.6320 2.7551 2.8186 3.0741 3.0913 3.1462 3.1751 3.4264 3.4647 3.5922 3.6022 3.6964 3.7620 3.9067 3.9205 4.1110 4.1292 4.1921 4.1972 4.5994 4.6437 4.7082 4.7169 4.8608 4.8666 5.0784 5.0936 5.4380 5.4406 5.5649 5.5938 6.1345 6.1532 6.8235 6.8252 9.2515 9.2677 9.8514 9.8539 10.2055 10.2118 10.7441 10.7476 11.1470 11.1496 11.6313 11.6444 k = 0.1146 0.4135 0.4739 ( 6656 PWs) bands (ev): -20.1032 -20.1032 -7.2034 -7.1792 -6.6639 -6.6014 -5.6524 -5.6374 -5.5247 -5.4599 -5.3754 -5.3120 -4.6793 -4.5913 -4.4742 -4.4708 -0.6370 -0.6174 1.8823 1.8960 1.9395 1.9528 2.4085 2.4290 2.6294 2.6334 2.7561 2.8097 3.0783 3.1015 3.1287 3.1605 3.4155 3.4572 3.5731 3.5927 3.6900 3.7614 3.8870 3.9259 4.1231 4.1392 4.1937 4.2005 4.6436 4.6815 4.7365 4.7494 4.9002 4.9092 5.0712 5.0866 5.4573 5.4627 5.5564 5.5867 6.1331 6.1536 6.7711 6.7734 9.2307 9.2468 9.8737 9.8762 10.2151 10.2215 10.7385 10.7414 11.1042 11.1051 11.6008 11.6125 k = 0.1250 0.4049 0.4874 ( 6658 PWs) bands (ev): -20.1032 -20.1032 -7.1990 -7.1739 -6.6683 -6.6046 -5.6631 -5.6508 -5.5221 -5.4535 -5.3708 -5.3144 -4.6736 -4.5866 -4.4745 -4.4711 -0.6282 -0.6083 1.8762 1.8903 1.9327 1.9464 2.3949 2.4123 2.6336 2.6348 2.7563 2.7996 3.0755 3.1044 3.1164 3.1505 3.4061 3.4508 3.5554 3.5835 3.6839 3.7577 3.8714 3.9297 4.1339 4.1486 4.1969 4.2049 4.6891 4.7206 4.7681 4.7839 4.9408 4.9525 5.0657 5.0807 5.4737 5.4820 5.5473 5.5787 6.1311 6.1532 6.7155 6.7186 9.2149 9.2307 9.8952 9.8978 10.2202 10.2266 10.7372 10.7398 11.0592 11.0596 11.5734 11.5839 k = 0.1354 0.3962 0.5009 ( 6654 PWs) bands (ev): -20.1032 -20.1032 -7.1943 -7.1688 -6.6724 -6.6084 -5.6735 -5.6639 -5.5185 -5.4474 -5.3667 -5.3178 -4.6672 -4.5826 -4.4747 -4.4715 -0.6191 -0.5993 1.8701 1.8843 1.9259 1.9397 2.3829 2.3974 2.6361 2.6381 2.7560 2.7885 3.0633 3.0969 3.1126 3.1484 3.3985 3.4454 3.5391 3.5746 3.6783 3.7507 3.8606 3.9316 4.1434 4.1573 4.2015 4.2101 4.7356 4.7609 4.8030 4.8200 4.9805 4.9951 5.0639 5.0769 5.4865 5.4975 5.5377 5.5696 6.1287 6.1520 6.6573 6.6612 9.2043 9.2198 9.9154 9.9180 10.2203 10.2266 10.7403 10.7430 11.0136 11.0145 11.5483 11.5576 k = 0.1458 0.3876 0.5145 ( 6650 PWs) bands (ev): -20.1032 -20.1032 -7.1895 -7.1639 -6.6758 -6.6127 -5.6835 -5.6764 -5.5141 -5.4417 -5.3629 -5.3220 -4.6602 -4.5793 -4.4749 -4.4719 -0.6099 -0.5905 1.8640 1.8782 1.9192 1.9328 2.3726 2.3846 2.6370 2.6429 2.7554 2.7767 3.0457 3.0823 3.1138 3.1514 3.3930 3.4409 3.5245 3.5657 3.6731 3.7405 3.8543 3.9317 4.1519 4.1651 4.2071 4.2159 4.7827 4.8022 4.8405 4.8576 5.0117 5.0314 5.0729 5.0805 5.4950 5.5076 5.5290 5.5598 6.1259 6.1503 6.5969 6.6017 9.1992 9.2141 9.9339 9.9365 10.2149 10.2212 10.7464 10.7501 10.9709 10.9713 11.5241 11.5322 k = 0.1562 0.3790 0.5280 ( 6646 PWs) bands (ev): -20.1032 -20.1032 -7.1844 -7.1594 -6.6787 -6.6175 -5.6930 -5.6882 -5.5090 -5.4365 -5.3596 -5.3268 -4.6528 -4.5768 -4.4750 -4.4723 -0.6008 -0.5821 1.8582 1.8720 1.9126 1.9259 2.3639 2.3736 2.6375 2.6477 2.7546 2.7646 3.0266 3.0650 3.1166 3.1553 3.3896 3.4373 3.5113 3.5566 3.6683 3.7284 3.8517 3.9300 4.1594 4.1721 4.2134 4.2217 4.8297 4.8443 4.8799 4.8963 5.0247 5.0471 5.1027 5.1058 5.4984 5.5072 5.5255 5.5495 6.1229 6.1480 6.5352 6.5408 9.1995 9.2136 9.9505 9.9533 10.2039 10.2102 10.7521 10.7580 10.9343 10.9359 11.4994 11.5063 k = 0.1667 0.3703 0.5416 ( 6648 PWs) bands (ev): -20.1032 -20.1032 -7.1794 -7.1553 -6.6808 -6.6228 -5.7019 -5.6989 -5.5032 -5.4320 -5.3567 -5.3318 -4.6451 -4.5752 -4.4751 -4.4727 -0.5919 -0.5743 1.8527 1.8659 1.9063 1.9191 2.3566 2.3645 2.6375 2.6523 2.7527 2.7539 3.0079 3.0470 3.1201 3.1587 3.3886 3.4343 3.4995 3.5471 3.6641 3.7157 3.8514 3.9270 4.1662 4.1783 4.2197 4.2274 4.8759 4.8865 4.9204 4.9355 5.0276 5.0492 5.1450 5.1460 5.4958 5.4976 5.5258 5.5393 6.1200 6.1453 6.4727 6.4794 9.2048 9.2181 9.9652 9.9681 10.1876 10.1937 10.7501 10.7593 10.9117 10.9165 11.4744 11.4796 k = 0.1771 0.3617 0.5551 ( 6646 PWs) bands (ev): -20.1032 -20.1032 -7.1743 -7.1517 -6.6822 -6.6284 -5.7100 -5.7086 -5.4969 -5.4286 -5.3545 -5.3368 -4.6373 -4.5743 -4.4752 -4.4731 -0.5834 -0.5672 1.8477 1.8600 1.9006 1.9126 2.3508 2.3571 2.6370 2.6562 2.7419 2.7532 2.9904 3.0291 3.1238 3.1611 3.3897 3.4321 3.4891 3.5372 3.6603 3.7034 3.8527 3.9227 4.1725 4.1839 4.2258 4.2328 4.9193 4.9271 4.9607 4.9748 5.0301 5.0509 5.1888 5.1911 5.4853 5.4871 5.5234 5.5294 6.1172 6.1423 6.4106 6.4182 9.2148 9.2270 9.9782 9.9812 10.1666 10.1724 10.7343 10.7455 10.9122 10.9195 11.4507 11.4540 k = 0.1875 0.3530 0.5686 ( 6646 PWs) bands (ev): -20.1032 -20.1032 -7.1694 -7.1488 -6.6827 -6.6342 -5.7174 -5.7171 -5.4901 -5.4264 -5.3527 -5.3414 -4.6296 -4.5743 -4.4753 -4.4735 -0.5754 -0.5610 1.8433 1.8544 1.8956 1.9064 2.3462 2.3511 2.6363 2.6589 2.7331 2.7525 2.9747 3.0118 3.1276 3.1623 3.3929 3.4304 3.4800 3.5268 3.6572 3.6921 3.8550 3.9175 4.1781 4.1886 4.2314 4.2375 4.9561 4.9626 4.9994 5.0119 5.0392 5.0583 5.2309 5.2379 5.4724 5.4732 5.5168 5.5190 6.1147 6.1391 6.3499 6.3585 9.2284 9.2395 9.9897 9.9928 10.1419 10.1474 10.7078 10.7189 10.9337 10.9417 11.4300 11.4315 k = 0.1979 0.3444 0.5822 ( 6650 PWs) bands (ev): -20.1032 -20.1032 -7.1647 -7.1466 -6.6823 -6.6402 -5.7243 -5.7239 -5.4830 -5.4257 -5.3514 -5.3452 -4.6221 -4.5750 -4.4754 -4.4739 -0.5682 -0.5557 1.8395 1.8492 1.8913 1.9008 2.3427 2.3465 2.6356 2.6596 2.7271 2.7516 2.9614 2.9956 3.1316 3.1624 3.3978 3.4292 3.4723 3.5160 3.6547 3.6821 3.8580 3.9117 4.1832 4.1925 4.2364 4.2415 4.9799 4.9862 5.0356 5.0413 5.0663 5.0780 5.2702 5.2837 5.4554 5.4598 5.5063 5.5074 6.1124 6.1355 6.2924 6.3020 9.2447 9.2545 9.9998 10.0028 10.1152 10.1202 10.6779 10.6879 10.9675 10.9754 11.4129 11.4133 k = 0.2083 0.3357 0.5957 ( 6648 PWs) bands (ev): -20.1032 -20.1032 -7.1602 -7.1452 -6.6811 -6.6463 -5.7301 -5.7294 -5.4755 -5.4267 -5.3507 -5.3481 -4.6148 -4.5766 -4.4754 -4.4743 -0.5618 -0.5515 1.8365 1.8445 1.8878 1.8957 2.3401 2.3430 2.6352 2.6579 2.7246 2.7502 2.9509 2.9808 3.1357 3.1616 3.4040 3.4286 3.4660 3.5050 3.6529 3.6736 3.8615 3.9055 4.1878 4.1955 4.2407 4.2448 4.9901 4.9963 5.0686 5.0691 5.1048 5.1095 5.3037 5.3257 5.4357 5.4490 5.4932 5.4947 6.1097 6.1311 6.2404 6.2507 9.2622 9.2704 10.0085 10.0113 10.0884 10.0927 10.6495 10.6580 11.0071 11.0149 11.3978 11.4005 k = 0.2188 0.3271 0.6092 ( 6650 PWs) bands (ev): -20.1032 -20.1032 -7.1562 -7.1445 -6.6791 -6.6522 -5.7347 -5.7338 -5.4680 -5.4295 -5.3503 -5.3500 -4.6080 -4.5789 -4.4754 -4.4746 -0.5563 -0.5485 1.8343 1.8405 1.8853 1.8915 2.3384 2.3404 2.6353 2.6543 2.7254 2.7482 2.9435 2.9676 3.1397 3.1599 3.4110 3.4283 3.4615 3.4938 3.6518 3.6666 3.8656 3.8991 4.1916 4.1977 4.2441 4.2473 4.9939 4.9992 5.0949 5.0983 5.1443 5.1456 5.3270 5.3580 5.4190 5.4426 5.4794 5.4815 6.1059 6.1247 6.1974 6.2079 9.2791 9.2856 10.0158 10.0182 10.0640 10.0674 10.6254 10.6321 11.0481 11.0556 11.3855 11.3906 k = 0.2292 0.3184 0.6228 ( 6652 PWs) bands (ev): -20.1032 -20.1032 -7.1526 -7.1446 -6.6762 -6.6579 -5.7378 -5.7371 -5.4604 -5.4338 -5.3509 -5.3503 -4.6016 -4.5821 -4.4754 -4.4748 -0.5520 -0.5466 1.8331 1.8373 1.8839 1.8880 2.3373 2.3386 2.6362 2.6497 2.7284 2.7453 2.9396 2.9565 3.1437 3.1575 3.4179 3.4282 3.4593 3.4830 3.6516 3.6611 3.8702 3.8928 4.1948 4.1989 4.2467 4.2489 4.9956 4.9994 5.1168 5.1207 5.1806 5.1807 5.3357 5.3628 5.4218 5.4430 5.4673 5.4690 6.1002 6.1139 6.1689 6.1771 9.2936 9.2980 10.0215 10.0233 10.0443 10.0467 10.6074 10.6120 11.0860 11.0925 11.3751 11.3821 k = 0.2396 0.3098 0.6363 ( 6656 PWs) bands (ev): -20.1032 -20.1032 -7.1496 -7.1455 -6.6725 -6.6633 -5.7396 -5.7392 -5.4529 -5.4393 -5.3511 -5.3506 -4.5957 -4.5859 -4.4753 -4.4751 -0.5488 -0.5461 1.8327 1.8348 1.8834 1.8855 2.3368 2.3375 2.6381 2.6451 2.7326 2.7415 2.9391 2.9479 3.1476 3.1546 3.4235 3.4279 3.4603 3.4731 3.6523 3.6569 3.8753 3.8866 4.1971 4.1992 4.2485 4.2496 4.9967 4.9986 5.1317 5.1343 5.2089 5.2089 5.3336 5.3466 5.4388 5.4473 5.4588 5.4589 6.0941 6.1007 6.1562 6.1600 9.3036 9.3060 10.0253 10.0263 10.0317 10.0328 10.5966 10.5990 11.1149 11.1190 11.3679 11.3735 k = 0.2500 0.3011 0.6499 ( 6660 PWs) bands (ev): -20.1032 -20.1032 -7.1472 -7.1472 -6.6682 -6.6682 -5.7401 -5.7401 -5.4458 -5.4458 -5.3509 -5.3509 -4.5905 -4.5905 -4.4752 -4.4752 -0.5468 -0.5468 1.8333 1.8333 1.8839 1.8839 2.3369 2.3369 2.6411 2.6411 2.7371 2.7371 2.9419 2.9419 3.1513 3.1513 3.4267 3.4267 3.4651 3.4651 3.6540 3.6540 3.8808 3.8808 4.1986 4.1986 4.2495 4.2495 4.9977 4.9977 5.1379 5.1379 5.2206 5.2206 5.3340 5.3340 5.4506 5.4506 5.4527 5.4527 6.0930 6.0930 6.1539 6.1539 9.3080 9.3080 10.0271 10.0271 10.0275 10.0275 10.5938 10.5938 11.1274 11.1274 11.3672 11.3672 k = 0.2500 0.3011 0.6499 ( 6660 PWs) bands (ev): -20.1032 -20.1032 -7.1472 -7.1472 -6.6682 -6.6682 -5.7401 -5.7401 -5.4458 -5.4458 -5.3509 -5.3509 -4.5905 -4.5905 -4.4752 -4.4752 -0.5468 -0.5468 1.8333 1.8333 1.8839 1.8839 2.3369 2.3369 2.6411 2.6411 2.7371 2.7371 2.9419 2.9419 3.1513 3.1513 3.4267 3.4267 3.4651 3.4651 3.6540 3.6540 3.8808 3.8808 4.1986 4.1986 4.2495 4.2495 4.9977 4.9977 5.1379 5.1379 5.2206 5.2206 5.3340 5.3340 5.4506 5.4506 5.4527 5.4527 6.0930 6.0930 6.1539 6.1539 9.3080 9.3080 10.0271 10.0271 10.0275 10.0275 10.5938 10.5938 11.1274 11.1274 11.3672 11.3672 k = 0.2581 0.3108 0.6347 ( 6658 PWs) bands (ev): -20.1032 -20.1032 -7.1487 -7.1456 -6.6720 -6.6646 -5.7400 -5.7393 -5.4527 -5.4425 -5.3510 -5.3484 -4.5954 -4.5858 -4.4750 -4.4745 -0.5483 -0.5462 1.8275 1.8297 1.8886 1.8897 2.3372 2.3375 2.6388 2.6441 2.7335 2.7409 2.9395 2.9461 3.1486 3.1540 3.4245 3.4265 3.4617 3.4714 3.6528 3.6561 3.8765 3.8852 4.1974 4.1989 4.2491 4.2500 4.9958 4.9968 5.1347 5.1362 5.2096 5.2137 5.3358 5.3417 5.4428 5.4494 5.4565 5.4577 6.0862 6.0921 6.1625 6.1643 9.3052 9.3070 10.0261 10.0278 10.0288 10.0307 10.5961 10.5980 11.1199 11.1227 11.3537 11.3601 k = 0.2661 0.3205 0.6195 ( 6661 PWs) bands (ev): -20.1032 -20.1032 -7.1499 -7.1439 -6.6758 -6.6612 -5.7397 -5.7372 -5.4626 -5.4432 -5.3511 -5.3413 -4.6025 -4.5796 -4.4745 -4.4722 -0.5508 -0.5466 1.8156 1.8204 1.9005 1.9022 2.3386 2.3390 2.6373 2.6476 2.7301 2.7446 2.9393 2.9512 3.1461 3.1567 3.4219 3.4230 3.4617 3.4793 3.6530 3.6589 3.8727 3.8895 4.1955 4.1980 4.2488 4.2506 4.9916 4.9921 5.1269 5.1296 5.1808 5.1940 5.3483 5.3513 5.4345 5.4452 5.4627 5.4642 6.0810 6.0929 6.1806 6.1839 9.2990 9.3025 10.0283 10.0313 10.0314 10.0351 10.6040 10.6079 11.1058 11.1101 11.3290 11.3396 k = 0.2742 0.3303 0.6042 ( 6660 PWs) bands (ev): -20.1032 -20.1032 -7.1508 -7.1422 -6.6798 -6.6580 -5.7393 -5.7340 -5.4751 -5.4470 -5.3513 -5.3309 -4.6114 -4.5719 -4.4736 -4.4681 -0.5542 -0.5479 1.8023 1.8095 1.9154 1.9175 2.3412 2.3413 2.6361 2.6512 2.7275 2.7484 2.9414 2.9569 3.1439 3.1591 3.4180 3.4193 3.4636 3.4880 3.6545 3.6624 3.8693 3.8936 4.1932 4.1959 4.2484 4.2514 4.9832 4.9844 5.1083 5.1190 5.1490 5.1650 5.3559 5.3638 5.4296 5.4391 5.4715 5.4724 6.0839 6.1006 6.2009 6.2061 9.2901 9.2950 10.0324 10.0362 10.0370 10.0412 10.6159 10.6218 11.0903 11.0954 11.3038 11.3166 k = 0.2823 0.3400 0.5890 ( 6655 PWs) bands (ev): -20.1032 -20.1032 -7.1514 -7.1404 -6.6839 -6.6551 -5.7391 -5.7295 -5.4900 -5.4524 -5.3518 -5.3183 -4.6219 -4.5629 -4.4723 -4.4625 -0.5584 -0.5502 1.7894 1.7991 1.9315 1.9342 2.3447 2.3450 2.6344 2.6543 2.7264 2.7528 2.9454 2.9630 3.1420 3.1611 3.4125 3.4170 3.4660 3.4972 3.6573 3.6670 3.8663 3.8974 4.1904 4.1926 4.2479 4.2523 4.9701 4.9737 5.0660 5.1020 5.1327 5.1329 5.3507 5.3749 5.4311 5.4349 5.4816 5.4831 6.0952 6.1155 6.2214 6.2288 9.2791 9.2852 10.0361 10.0424 10.0453 10.0512 10.6296 10.6377 11.0762 11.0818 11.2817 11.2954 k = 0.2903 0.3497 0.5738 ( 6657 PWs) bands (ev): -20.1032 -20.1032 -7.1515 -7.1386 -6.6881 -6.6525 -5.7393 -5.7240 -5.5069 -5.4583 -5.3527 -5.3049 -4.6334 -4.5527 -4.4704 -4.4556 -0.5634 -0.5534 1.7781 1.7899 1.9484 1.9514 2.3491 2.3500 2.6316 2.6562 2.7274 2.7583 2.9510 2.9691 3.1404 3.1625 3.4074 3.4149 3.4684 3.5065 3.6615 3.6725 3.8636 3.9009 4.1873 4.1880 4.2470 4.2532 4.9529 4.9589 5.0103 5.0684 5.1115 5.1250 5.3375 5.3749 5.4364 5.4383 5.4914 5.4974 6.1137 6.1365 6.2413 6.2511 9.2671 9.2741 10.0396 10.0472 10.0582 10.0649 10.6433 10.6534 11.0650 11.0710 11.2644 11.2779 k = 0.2984 0.3594 0.5586 ( 6663 PWs) bands (ev): -20.1032 -20.1032 -7.1512 -7.1365 -6.6924 -6.6504 -5.7403 -5.7176 -5.5256 -5.4639 -5.3542 -5.2913 -4.6456 -4.5417 -4.4675 -4.4475 -0.5692 -0.5574 1.7686 1.7826 1.9656 1.9689 2.3547 2.3562 2.6272 2.6562 2.7308 2.7657 2.9580 2.9750 3.1391 3.1630 3.4029 3.4132 3.4707 3.5156 3.6669 3.6790 3.8611 3.9042 4.1821 4.1839 4.2458 4.2541 4.9296 4.9392 4.9519 5.0230 5.0994 5.1197 5.3201 5.3643 5.4413 5.4474 5.5023 5.5140 6.1380 6.1622 6.2602 6.2725 9.2549 9.2626 10.0430 10.0518 10.0744 10.0818 10.6552 10.6672 11.0577 11.0640 11.2529 11.2652 k = 0.3065 0.3691 0.5434 ( 6663 PWs) bands (ev): -20.1032 -20.1032 -7.1504 -7.1343 -6.6968 -6.6488 -5.7422 -5.7104 -5.5457 -5.4687 -5.3562 -5.2781 -4.6577 -4.5305 -4.4633 -4.4385 -0.5756 -0.5624 1.7615 1.7774 1.9831 1.9866 2.3614 2.3638 2.6211 2.6541 2.7367 2.7750 2.9659 2.9807 3.1381 3.1626 3.3991 3.4119 3.4727 3.5242 3.6736 3.6865 3.8589 3.9075 4.1748 4.1802 4.2442 4.2548 4.8795 4.9131 4.9152 4.9762 5.0903 5.1153 5.3007 5.3484 5.4437 5.4558 5.5154 5.5324 6.1668 6.1917 6.2777 6.2927 9.2433 9.2514 10.0460 10.0558 10.0935 10.1016 10.6641 10.6774 11.0548 11.0612 11.2473 11.2578 k = 0.3145 0.3788 0.5282 ( 6660 PWs) bands (ev): -20.1032 -20.1032 -7.1491 -7.1318 -6.7013 -6.6477 -5.7454 -5.7028 -5.5667 -5.4724 -5.3589 -5.2657 -4.6694 -4.5196 -4.4573 -4.4288 -0.5827 -0.5682 1.7570 1.7748 2.0005 2.0043 2.3693 2.3726 2.6134 2.6500 2.7446 2.7863 2.9745 2.9859 3.1373 3.1611 3.3961 3.4108 3.4745 3.5320 3.6813 3.6947 3.8569 3.9108 4.1661 4.1760 4.2422 4.2554 4.8152 4.8773 4.8899 4.9349 5.0826 5.1112 5.2802 5.3297 5.4428 5.4598 5.5314 5.5519 6.1991 6.2241 6.2937 6.3114 9.2331 9.2412 10.0485 10.0591 10.1154 10.1240 10.6692 10.6833 11.0567 11.0632 11.2472 11.2556 k = 0.3226 0.3885 0.5130 ( 6664 PWs) bands (ev): -20.1031 -20.1031 -7.1472 -7.1291 -6.7060 -6.6471 -5.7499 -5.6953 -5.5881 -5.4749 -5.3620 -5.2545 -4.6801 -4.5096 -4.4491 -4.4185 -0.5904 -0.5748 1.7552 1.7749 2.0180 2.0219 2.3784 2.3828 2.6044 2.6441 2.7543 2.7991 2.9837 2.9907 3.1368 3.1583 3.3938 3.4101 3.4760 3.5387 3.6900 3.7034 3.8551 3.9147 4.1557 4.1712 4.2398 4.2556 4.7501 4.8319 4.8644 4.9015 5.0758 5.1070 5.2589 5.3095 5.4385 5.4589 5.5497 5.5720 6.2338 6.2584 6.3080 6.3285 9.2249 9.2328 10.0500 10.0615 10.1397 10.1486 10.6704 10.6845 11.0636 11.0700 11.2520 11.2579 k = 0.3306 0.3983 0.4978 ( 6663 PWs) bands (ev): -20.1031 -20.1031 -7.1448 -7.1261 -6.7109 -6.6472 -5.7558 -5.6889 -5.6088 -5.4763 -5.3656 -5.2447 -4.6892 -4.5009 -4.4384 -4.4077 -0.5987 -0.5821 1.7564 1.7779 2.0353 2.0393 2.3886 2.3943 2.5942 2.6367 2.7654 2.8130 2.9932 2.9949 3.1367 3.1541 3.3922 3.4096 3.4773 3.5443 3.6997 3.7119 3.8535 3.9193 4.1437 4.1657 4.2370 4.2555 4.6859 4.7823 4.8384 4.8723 5.0695 5.1025 5.2368 5.2879 5.4310 5.4536 5.5696 5.5926 6.2700 6.2939 6.3210 6.3442 9.2190 9.2264 10.0506 10.0628 10.1661 10.1752 10.6675 10.6807 11.0757 11.0817 11.2604 11.2638 k = 0.3387 0.4080 0.4826 ( 6665 PWs) bands (ev): -20.1031 -20.1031 -7.1417 -7.1228 -6.7159 -6.6479 -5.7630 -5.6859 -5.6264 -5.4769 -5.3693 -5.2364 -4.6963 -4.4934 -4.4256 -4.3966 -0.6073 -0.5901 1.7606 1.7840 2.0525 2.0564 2.4000 2.4071 2.5832 2.6281 2.7775 2.8276 2.9985 3.0028 3.1369 3.1486 3.3912 3.4092 3.4782 3.5484 3.7103 3.7199 3.8521 3.9251 4.1299 4.1592 4.2338 4.2551 4.6236 4.7327 4.8121 4.8446 5.0634 5.0976 5.2139 5.2653 5.4203 5.4444 5.5905 5.6134 6.3041 6.3280 6.3356 6.3606 9.2157 9.2223 10.0503 10.0631 10.1942 10.2035 10.6608 10.6719 11.0929 11.0982 11.2706 11.2717 k = 0.3468 0.4177 0.4674 ( 6663 PWs) bands (ev): -20.1031 -20.1031 -7.1381 -7.1192 -6.7210 -6.6492 -5.7714 -5.6911 -5.6364 -5.4772 -5.3730 -5.2297 -4.7010 -4.4867 -4.4109 -4.3852 -0.6164 -0.5987 1.7679 1.7933 2.0694 2.0733 2.4124 2.4212 2.5713 2.6185 2.7904 2.8425 3.0013 3.0126 3.1376 3.1417 3.3909 3.4089 3.4785 3.5508 3.7217 3.7269 3.8510 3.9326 4.1145 4.1515 4.2301 4.2542 4.5639 4.6850 4.7858 4.8174 5.0573 5.0923 5.1902 5.2416 5.4069 5.4319 5.6120 5.6345 6.3244 6.3520 6.3631 6.3859 9.2151 9.2207 10.0490 10.0625 10.2238 10.2331 10.6501 10.6584 11.1152 11.1191 11.2790 11.2800 k = 0.3548 0.4274 0.4522 ( 6656 PWs) bands (ev): -20.1031 -20.1031 -7.1338 -7.1151 -6.7263 -6.6512 -5.7809 -5.7060 -5.6374 -5.4777 -5.3763 -5.2245 -4.7030 -4.4804 -4.3952 -4.3738 -0.6259 -0.6079 1.7782 1.8057 2.0859 2.0897 2.4258 2.4366 2.5587 2.6082 2.8039 2.8576 3.0032 3.0224 3.1337 3.1389 3.3909 3.4087 3.4782 3.5513 3.7325 3.7336 3.8504 3.9418 4.0976 4.1425 4.2261 4.2528 4.5074 4.6403 4.7598 4.7906 5.0512 5.0866 5.1657 5.2169 5.3910 5.4166 5.6341 5.6559 6.3316 6.3632 6.4024 6.4226 9.2169 9.2213 10.0472 10.0613 10.2545 10.2638 10.6355 10.6401 11.1421 11.1438 11.2827 11.2851 k = 0.3629 0.4371 0.4370 ( 6662 PWs) bands (ev): -20.1031 -20.1031 -7.1289 -7.1108 -6.7316 -6.6539 -5.7911 -5.7262 -5.6341 -5.4790 -5.3790 -5.2205 -4.7020 -4.4742 -4.3787 -4.3623 -0.6356 -0.6176 1.7916 1.8213 2.1020 2.1057 2.4400 2.4530 2.5456 2.5973 2.8180 2.8724 3.0041 3.0317 3.1250 3.1411 3.3914 3.4083 3.4771 3.5496 3.7369 3.7461 3.8502 3.9524 4.0797 4.1319 4.2214 4.2508 4.4547 4.5987 4.7341 4.7640 5.0448 5.0804 5.1404 5.1912 5.3732 5.3989 5.6565 5.6776 6.3336 6.3684 6.4454 6.4636 9.2208 9.2238 10.0451 10.0596 10.2861 10.2954 10.6169 10.6172 11.1708 11.1728 11.2797 11.2815 k = 0.3710 0.4468 0.4218 ( 6661 PWs) bands (ev): -20.1030 -20.1030 -7.1235 -7.1060 -6.7370 -6.6572 -5.8019 -5.7482 -5.6303 -5.4818 -5.3805 -5.2173 -4.6979 -4.4678 -4.3619 -4.3509 -0.6455 -0.6277 1.8079 1.8400 2.1177 2.1211 2.4546 2.4701 2.5325 2.5861 2.8325 2.8868 3.0037 3.0400 3.1165 3.1444 3.3920 3.4078 3.4751 3.5456 3.7403 3.7587 3.8507 3.9637 4.0618 4.1197 4.2162 4.2484 4.4063 4.5606 4.7090 4.7379 5.0378 5.0738 5.1145 5.1645 5.3538 5.3793 5.6793 5.6996 6.3320 6.3700 6.4903 6.5065 9.2262 9.2276 10.0432 10.0581 10.3183 10.3276 10.5902 10.5945 11.1961 11.2062 11.2656 11.2699 k = 0.3790 0.4565 0.4066 ( 6662 PWs) bands (ev): -20.1030 -20.1030 -7.1174 -7.1009 -6.7424 -6.6611 -5.8130 -5.7707 -5.6275 -5.4865 -5.3804 -5.2146 -4.6908 -4.4611 -4.3451 -4.3396 -0.6556 -0.6381 1.8270 1.8618 2.1329 2.1360 2.4692 2.4855 2.5216 2.5751 2.8474 2.9005 3.0021 3.0463 3.1097 3.1489 3.3927 3.4069 3.4722 3.5389 3.7431 3.7711 3.8520 3.9734 4.0458 4.1057 4.2102 4.2455 4.3625 4.5256 4.6845 4.7121 5.0298 5.0667 5.0884 5.1370 5.3333 5.3582 5.7024 5.7218 6.3273 6.3684 6.5366 6.5508 9.2320 9.2323 10.0419 10.0570 10.3510 10.3602 10.5596 10.5687 11.2056 11.2345 11.2427 11.2656 k = 0.3871 0.4662 0.3914 ( 6664 PWs) bands (ev): -20.1030 -20.1030 -7.1108 -7.0955 -6.7477 -6.6657 -5.8243 -5.7930 -5.6266 -5.4937 -5.3786 -5.2118 -4.6808 -4.4539 -4.3286 -4.3285 -0.6659 -0.6489 1.8487 1.8865 2.1475 2.1503 2.4823 2.4886 2.5235 2.5657 2.8626 2.9131 2.9992 3.0485 3.1069 3.1548 3.3933 3.4056 3.4687 3.5297 3.7459 3.7828 3.8542 3.9769 4.0361 4.0901 4.2032 4.2424 4.3237 4.4934 4.6607 4.6868 5.0198 5.0589 5.0630 5.1088 5.3124 5.3362 5.7257 5.7442 6.3198 6.3640 6.5842 6.5963 9.2359 9.2380 10.0415 10.0569 10.3838 10.3930 10.5266 10.5405 11.1850 11.1980 11.2734 11.2815 k = 0.3952 0.4760 0.3762 ( 6659 PWs) bands (ev): -20.1030 -20.1030 -7.1038 -7.0899 -6.7529 -6.6708 -5.8356 -5.8147 -5.6280 -5.5034 -5.3747 -5.2086 -4.6683 -4.4464 -4.3179 -4.3123 -0.6762 -0.6598 1.8730 1.9140 2.1614 2.1638 2.4770 2.4914 2.5407 2.5606 2.8780 2.9241 2.9952 3.0461 3.1097 3.1623 3.3933 3.4037 3.4649 3.5181 3.7490 3.7932 3.8574 3.9695 4.0369 4.0731 4.1951 4.2393 4.2904 4.4637 4.6376 4.6620 5.0052 5.0408 5.0499 5.0805 5.2916 5.3136 5.7491 5.7666 6.3096 6.3568 6.6328 6.6428 9.2382 9.2420 10.0423 10.0580 10.4159 10.4248 10.4939 10.5118 11.1508 11.1556 11.3003 11.3019 k = 0.4032 0.4857 0.3609 ( 6657 PWs) bands (ev): -20.1029 -20.1029 -7.0962 -7.0840 -6.7580 -6.6763 -5.8469 -5.8357 -5.6318 -5.5158 -5.3689 -5.2050 -4.6534 -4.4384 -4.3076 -4.2966 -0.6865 -0.6709 1.8996 1.9441 2.1745 2.1765 2.4616 2.4923 2.5623 2.5636 2.8934 2.9324 2.9905 3.0411 3.1169 3.1712 3.3924 3.4009 3.4614 3.5045 3.7526 3.8018 3.8615 3.9547 4.0441 4.0548 4.1856 4.2368 4.2628 4.4360 4.6151 4.6376 4.9836 5.0243 5.0366 5.0555 5.2714 5.2908 5.7724 5.7889 6.2969 6.3471 6.6824 6.6903 9.2376 9.2430 10.0445 10.0606 10.4427 10.4431 10.4758 10.4891 11.1132 11.1139 11.3162 11.3178 k = 0.4113 0.4954 0.3457 ( 6661 PWs) bands (ev): -20.1029 -20.1029 -7.0883 -7.0780 -6.7627 -6.6824 -5.8579 -5.8558 -5.6379 -5.5306 -5.3612 -5.2008 -4.6364 -4.4300 -4.2977 -4.2815 -0.6968 -0.6821 1.9282 1.9766 2.1866 2.1882 2.4450 2.4851 2.5751 2.5856 2.9081 2.9367 2.9859 3.0369 3.1268 3.1817 3.3901 3.3968 3.4589 3.4897 3.7569 3.8085 3.8660 3.9374 4.0358 4.0520 4.1742 4.2357 4.2414 4.4098 4.5930 4.6137 4.9569 5.0118 5.0123 5.0405 5.2522 5.2684 5.7956 5.8110 6.2821 6.3352 6.7328 6.7386 9.2328 9.2398 10.0478 10.0646 10.4223 10.4415 10.4976 10.5006 11.0737 11.0781 11.3204 11.3228 k = 0.4194 0.5051 0.3305 ( 6661 PWs) bands (ev): -20.1029 -20.1028 -7.0802 -7.0719 -6.7670 -6.6888 -5.8749 -5.8686 -5.6459 -5.5474 -5.3520 -5.1961 -4.6178 -4.4213 -4.2884 -4.2672 -0.7070 -0.6933 1.9586 2.0112 2.1975 2.1987 2.4283 2.4734 2.5916 2.6099 2.9205 2.9359 2.9835 3.0360 3.1381 3.1936 3.3862 3.3910 3.4580 3.4746 3.7618 3.8133 3.8701 3.9199 4.0166 4.0572 4.1608 4.2265 4.2366 4.3849 4.5713 4.5900 4.9278 4.9824 5.0005 5.0301 5.2344 5.2467 5.8183 5.8327 6.2655 6.3213 6.7839 6.7878 9.2229 9.2311 10.0517 10.0696 10.3995 10.4247 10.5277 10.5337 11.0382 11.0451 11.3130 11.3147 k = 0.4274 0.5148 0.3153 ( 6661 PWs) bands (ev): -20.1028 -20.1028 -7.0718 -7.0659 -6.7709 -6.6954 -5.8929 -5.8789 -5.6555 -5.5660 -5.3416 -5.1910 -4.5978 -4.4122 -4.2796 -4.2537 -0.7171 -0.7044 1.9906 2.0477 2.2069 2.2078 2.4121 2.4598 2.6107 2.6346 2.9276 2.9299 2.9865 3.0390 3.1501 3.2068 3.3809 3.3826 3.4590 3.4605 3.7672 3.8163 3.8728 3.9030 3.9977 4.0581 4.1454 4.2177 4.2403 4.3608 4.5498 4.5665 4.8978 4.9512 4.9895 5.0205 5.2181 5.2258 5.8405 5.8538 6.2474 6.3057 6.8356 6.8375 9.2072 9.2164 10.0557 10.0748 10.3845 10.4132 10.5609 10.5677 11.0073 11.0157 11.2951 11.2951 k = 0.4355 0.5245 0.3001 ( 6665 PWs) bands (ev): -20.1028 -20.1028 -7.0634 -7.0601 -6.7742 -6.7022 -5.9096 -5.8888 -5.6664 -5.5857 -5.3304 -5.1858 -4.5767 -4.4029 -4.2715 -4.2412 -0.7271 -0.7155 2.0239 2.0856 2.2141 2.2150 2.3972 2.4461 2.6310 2.6594 2.9199 2.9273 2.9975 3.0450 3.1624 3.2211 3.3710 3.3750 3.4486 3.4618 3.7731 3.8179 3.8734 3.8872 3.9796 4.0541 4.1286 4.2146 4.2469 4.3374 4.5281 4.5431 4.8675 4.9196 4.9784 5.0109 5.2033 5.2061 5.8620 5.8742 6.2282 6.2888 6.8877 6.8877 9.1856 9.1954 10.0591 10.0796 10.3800 10.4114 10.5946 10.6019 10.9811 10.9903 11.2669 11.2687 k = 0.4435 0.5342 0.2849 ( 6670 PWs) bands (ev): -20.1027 -20.1027 -7.0551 -7.0545 -6.7768 -6.7090 -5.9251 -5.8983 -5.6781 -5.6062 -5.3186 -5.1806 -4.5549 -4.3935 -4.2640 -4.2297 -0.7370 -0.7264 2.0581 2.1246 2.2186 2.2199 2.3846 2.4334 2.6518 2.6837 2.9075 2.9218 3.0146 3.0523 3.1746 3.2361 3.3565 3.3695 3.4393 3.4661 3.7791 3.8183 3.8715 3.8726 3.9625 4.0454 4.1109 4.2164 4.2557 4.3146 4.5062 4.5194 4.8374 4.8879 4.9676 5.0013 5.1876 5.1899 5.8826 5.8938 6.2083 6.2709 6.9381 6.9398 9.1583 9.1685 10.0619 10.0835 10.3869 10.4205 10.6283 10.6359 10.9594 10.9690 11.2328 11.2362 k = 0.4516 0.5440 0.2697 ( 6660 PWs) bands (ev): -20.1027 -20.1027 -7.0493 -7.0470 -6.7787 -6.7157 -5.9393 -5.9073 -5.6902 -5.6271 -5.3067 -5.1755 -4.5326 -4.3840 -4.2573 -4.2193 -0.7466 -0.7371 2.0931 2.1641 2.2194 2.2224 2.3755 2.4230 2.6728 2.7071 2.8938 2.9137 3.0355 3.0595 3.1867 3.2513 3.3404 3.3654 3.4325 3.4716 3.7852 3.8173 3.8592 3.8673 3.9467 4.0329 4.0923 4.2226 4.2656 4.2926 4.4837 4.4956 4.8079 4.8565 4.9573 4.9919 5.1701 5.1775 5.9021 5.9123 6.1882 6.2523 6.9885 6.9918 9.1264 9.1368 10.0646 10.0870 10.4047 10.4399 10.6615 10.6693 10.9421 10.9519 11.1949 11.1998 k = 0.4597 0.5537 0.2545 ( 6657 PWs) bands (ev): -20.1027 -20.1027 -7.0447 -7.0394 -6.7797 -6.7221 -5.9521 -5.9159 -5.7025 -5.6478 -5.2947 -5.1708 -4.5102 -4.3746 -4.2513 -4.2101 -0.7560 -0.7476 2.1283 2.2010 2.2162 2.2245 2.3705 2.4156 2.6935 2.7288 2.8796 2.9048 3.0586 3.0653 3.1984 3.2644 3.3256 3.3639 3.4277 3.4780 3.7909 3.8151 3.8471 3.8613 3.9323 4.0174 4.0731 4.2325 4.2659 4.2810 4.4606 4.4715 4.7793 4.8256 4.9477 4.9828 5.1536 5.1656 5.9205 5.9297 6.1683 6.2334 7.0386 7.0433 9.0911 9.1014 10.0681 10.0909 10.4316 10.4683 10.6937 10.7018 10.9291 10.9390 11.1553 11.1615 k = 0.4677 0.5634 0.2393 ( 6660 PWs) bands (ev): -20.1026 -20.1026 -7.0407 -7.0324 -6.7798 -6.7280 -5.9634 -5.9238 -5.7147 -5.6680 -5.2829 -5.1665 -4.4878 -4.3653 -4.2461 -4.2021 -0.7652 -0.7578 2.1632 2.2094 2.2112 2.2494 2.3700 2.4122 2.7135 2.7481 2.8654 2.8960 3.0686 3.0829 3.2099 3.2698 3.3195 3.3659 3.4242 3.4851 3.7960 3.8115 3.8361 3.8543 3.9193 4.0000 4.0533 4.2450 4.2454 4.2905 4.4367 4.4473 4.7520 4.7956 4.9393 4.9741 5.1380 5.1540 5.9377 5.9460 6.1489 6.2146 7.0879 7.0939 9.0537 9.0639 10.0733 10.0964 10.4655 10.5037 10.7244 10.7328 10.9202 10.9303 11.1155 11.1228 k = 0.4758 0.5731 0.2241 ( 6662 PWs) bands (ev): -20.1026 -20.1026 -7.0375 -7.0262 -6.7791 -6.7334 -5.9732 -5.9313 -5.7265 -5.6873 -5.2714 -5.1627 -4.4658 -4.3563 -4.2418 -4.1954 -0.7741 -0.7677 2.1901 2.2044 2.2071 2.2874 2.3735 2.4130 2.7323 2.7641 2.8516 2.8883 3.0686 3.1068 3.2215 3.2631 3.3278 3.3717 3.4220 3.4927 3.7998 3.8064 3.8263 3.8473 3.9075 3.9818 4.0331 4.2224 4.2606 4.3006 4.4121 4.4236 4.7262 4.7668 4.9323 4.9663 5.1228 5.1423 5.9535 5.9609 6.1306 6.1961 7.1362 7.1432 9.0157 9.0257 10.0810 10.1041 10.5042 10.5439 10.7527 10.7615 10.9153 10.9255 11.0772 11.0856 k = 0.4839 0.5828 0.2089 ( 6660 PWs) bands (ev): -20.1026 -20.1026 -7.0350 -7.0210 -6.7775 -6.7381 -5.9815 -5.9381 -5.7378 -5.7056 -5.2605 -5.1595 -4.4443 -4.3476 -4.2382 -4.1901 -0.7828 -0.7772 2.1826 2.1939 2.2366 2.3243 2.3803 2.4186 2.7489 2.7757 2.8389 2.8825 3.0650 3.1275 3.2333 3.2539 3.3436 3.3815 3.4209 3.5006 3.7999 3.8012 3.8181 3.8406 3.8970 3.9639 4.0128 4.1992 4.2771 4.3086 4.3871 4.4017 4.7024 4.7394 4.9268 4.9594 5.1081 5.1301 5.9680 5.9746 6.1136 6.1782 7.1829 7.1907 8.9784 8.9882 10.0915 10.1146 10.5456 10.5870 10.7775 10.7865 10.9141 10.9244 11.0425 11.0518 k = 0.4919 0.5925 0.1937 ( 6664 PWs) bands (ev): -20.1026 -20.1026 -7.0333 -7.0170 -6.7751 -6.7418 -5.9882 -5.9443 -5.7484 -5.7224 -5.2501 -5.1570 -4.4237 -4.3394 -4.2356 -4.1862 -0.7911 -0.7864 2.1691 2.1815 2.2700 2.3571 2.3898 2.4304 2.7620 2.7821 2.8286 2.8795 3.0580 3.1395 3.2455 3.2521 3.3615 3.3947 3.4214 3.5086 3.7924 3.7988 3.8118 3.8344 3.8875 3.9476 3.9928 4.1755 4.2934 4.3111 4.3633 4.3849 4.6809 4.7137 4.9228 4.9535 5.0935 5.1172 5.9810 5.9869 6.0982 6.1612 7.2276 7.2360 8.9430 8.9525 10.1049 10.1281 10.5879 10.6310 10.7971 10.8060 10.9158 10.9266 11.0141 11.0241 k = 0.5000 0.6022 0.1785 ( 6662 PWs) bands (ev): -20.1025 -20.1025 -7.0324 -7.0144 -6.7721 -6.7446 -5.9931 -5.9497 -5.7580 -5.7377 -5.2404 -5.1551 -4.4041 -4.3317 -4.2338 -4.1838 -0.7990 -0.7951 2.1551 2.1681 2.3023 2.3827 2.4017 2.4503 2.7686 2.7830 2.8233 2.8794 3.0479 3.1386 3.2579 3.2631 3.3785 3.4108 3.4248 3.5166 3.7846 3.7928 3.8064 3.8279 3.8795 3.9341 3.9733 4.1512 4.3023 4.3037 4.3475 4.3782 4.6620 4.6901 4.9204 4.9489 5.0791 5.1036 5.9927 5.9980 6.0845 6.1453 7.2698 7.2785 8.9106 8.9196 10.1213 10.1445 10.6295 10.6741 10.8089 10.8170 10.9194 10.9312 10.9958 11.0060 k = 0.5000 0.6022 0.1785 ( 6662 PWs) bands (ev): -20.1025 -20.1025 -7.0324 -7.0144 -6.7721 -6.7446 -5.9931 -5.9497 -5.7580 -5.7377 -5.2404 -5.1551 -4.4041 -4.3317 -4.2338 -4.1838 -0.7990 -0.7951 2.1551 2.1681 2.3023 2.3827 2.4017 2.4503 2.7686 2.7830 2.8233 2.8794 3.0479 3.1386 3.2579 3.2631 3.3785 3.4108 3.4248 3.5166 3.7846 3.7928 3.8064 3.8279 3.8795 3.9341 3.9733 4.1512 4.3023 4.3037 4.3475 4.3782 4.6620 4.6901 4.9204 4.9489 5.0791 5.1036 5.9927 5.9980 6.0845 6.1453 7.2698 7.2785 8.9106 8.9196 10.1213 10.1445 10.6295 10.6741 10.8089 10.8170 10.9194 10.9312 10.9958 11.0060 k = 0.5000 0.6022 0.1586 ( 6662 PWs) bands (ev): -20.1025 -20.1025 -7.0316 -7.0120 -6.7680 -6.7475 -5.9981 -5.9564 -5.7695 -5.7553 -5.2286 -5.1535 -4.3800 -4.3222 -4.2321 -4.1821 -0.8088 -0.8058 2.1370 2.1502 2.3413 2.4054 2.4213 2.4877 2.7646 2.7781 2.8272 2.8827 3.0307 3.1232 3.2742 3.2907 3.3949 3.4347 3.4370 3.5271 3.7749 3.7830 3.7962 3.8175 3.8714 3.9218 3.9503 4.1197 4.2812 4.2865 4.3556 4.3827 4.6408 4.6619 4.9187 4.9442 5.0589 5.0834 6.0062 6.0107 6.0702 6.1269 7.3208 7.3296 8.8721 8.8805 10.1473 10.1704 10.6831 10.7289 10.8095 10.8161 10.9243 10.9380 10.9901 10.9991 k = 0.5000 0.6022 0.1388 ( 6644 PWs) bands (ev): -20.1025 -20.1025 -7.0302 -7.0101 -6.7645 -6.7499 -6.0025 -5.9637 -5.7798 -5.7705 -5.2176 -5.1525 -4.3573 -4.3132 -4.2306 -4.1814 -0.8178 -0.8155 2.1200 2.1327 2.3750 2.4223 2.4464 2.5312 2.7520 2.7691 2.8385 2.8884 3.0096 3.1003 3.2902 3.3233 3.4039 3.4586 3.4605 3.5380 3.7664 3.7725 3.7815 3.8037 3.8662 3.9154 3.9310 4.0891 4.2536 4.2591 4.3768 4.3934 4.6227 4.6361 4.9179 4.9404 5.0362 5.0599 6.0183 6.0221 6.0600 6.1116 7.3673 7.3759 8.8372 8.8448 10.1785 10.2015 10.7360 10.7803 10.7960 10.8004 10.9319 10.9448 10.9999 11.0075 k = 0.5000 0.6022 0.1190 ( 6638 PWs) bands (ev): -20.1025 -20.1025 -7.0283 -7.0087 -6.7616 -6.7519 -6.0062 -5.9712 -5.7888 -5.7832 -5.2074 -5.1522 -4.3366 -4.3048 -4.2291 -4.1816 -0.8259 -0.8243 2.1046 2.1162 2.4024 2.4370 2.4772 2.5755 2.7369 2.7584 2.8513 2.8944 2.9857 3.0740 3.3052 3.3531 3.4134 3.4847 3.4869 3.5497 3.7585 3.7606 3.7643 3.7858 3.8638 3.9135 3.9167 4.0595 4.2253 4.2310 4.4000 4.4060 4.6082 4.6133 4.9176 4.9374 5.0119 5.0339 6.0288 6.0320 6.0536 6.0992 7.4089 7.4170 8.8062 8.8130 10.2146 10.2374 10.7710 10.7746 10.7843 10.8230 10.9488 10.9533 11.0172 11.0242 k = 0.5000 0.6022 0.0991 ( 6632 PWs) bands (ev): -20.1024 -20.1024 -7.0260 -7.0079 -6.7593 -6.7534 -6.0092 -5.9789 -5.7965 -5.7935 -5.1981 -5.1526 -4.3182 -4.2971 -4.2274 -4.1829 -0.8330 -0.8319 2.0912 2.1013 2.4245 2.4506 2.5114 2.6176 2.7224 2.7479 2.8635 2.8994 2.9600 3.0462 3.3191 3.3714 3.4329 3.5117 3.5124 3.5629 3.7429 3.7500 3.7511 3.7648 3.8639 3.9077 3.9142 4.0311 4.1984 4.2045 4.4187 4.4227 4.5939 4.5974 4.9175 4.9351 4.9868 5.0069 6.0378 6.0405 6.0503 6.0892 7.4451 7.4524 8.7796 8.7854 10.2554 10.2777 10.7466 10.7512 10.8087 10.8373 10.9704 10.9823 11.0365 11.0434 k = 0.5000 0.6022 0.0793 ( 6624 PWs) bands (ev): -20.1024 -20.1024 -7.0235 -7.0078 -6.7576 -6.7544 -6.0113 -5.9863 -5.8029 -5.8015 -5.1897 -5.1536 -4.3026 -4.2903 -4.2251 -4.1854 -0.8390 -0.8382 2.0801 2.0885 2.4431 2.4629 2.5460 2.6526 2.7128 2.7390 2.8743 2.9027 2.9342 3.0174 3.3316 3.3775 3.4632 3.5351 3.5376 3.5786 3.7244 3.7350 3.7388 3.7467 3.8669 3.9038 3.9159 4.0038 4.1742 4.1806 4.4307 4.4428 4.5791 4.5902 4.9170 4.9331 4.9623 4.9806 6.0452 6.0474 6.0495 6.0812 7.4756 7.4818 8.7576 8.7623 10.3000 10.3216 10.7242 10.7279 10.8030 10.8233 11.0005 11.0252 11.0563 11.0627 k = 0.5000 0.6022 0.0595 ( 6612 PWs) bands (ev): -20.1024 -20.1024 -7.0208 -7.0082 -6.7565 -6.7550 -6.0123 -5.9933 -5.8079 -5.8075 -5.1823 -5.1553 -4.2904 -4.2845 -4.2219 -4.1889 -0.8437 -0.8433 2.0716 2.0780 2.4587 2.4734 2.5781 2.6671 2.7202 2.7337 2.8827 2.9037 2.9113 2.9883 3.3425 3.3778 3.4976 3.5534 3.5605 3.5968 3.7087 3.7100 3.7255 3.7355 3.8730 3.9038 3.9174 3.9781 4.1539 4.1600 4.4415 4.4582 4.5702 4.5859 4.9155 4.9310 4.9408 4.9578 6.0504 6.0510 6.0528 6.0747 7.4999 7.5048 8.7404 8.7441 10.3472 10.3676 10.7056 10.7083 10.7719 10.7893 11.0304 11.0509 11.0844 11.0846 k = 0.5000 0.6022 0.0397 ( 6604 PWs) bands (ev): -20.1024 -20.1024 -7.0181 -7.0093 -6.7558 -6.7553 -6.0122 -5.9994 -5.8115 -5.8115 -5.1757 -5.1578 -4.2820 -4.2800 -4.2174 -4.1936 -0.8472 -0.8469 2.0657 2.0700 2.4714 2.4812 2.6053 2.6616 2.7339 2.7408 2.8826 2.9016 2.9021 2.9600 3.3519 3.3755 3.5325 3.5678 3.5780 3.6141 3.6847 3.6979 3.7112 3.7242 3.8826 3.9065 3.9178 3.9541 4.1388 4.1437 4.4507 4.4666 4.5681 4.5832 4.9116 4.9204 4.9321 4.9417 6.0526 6.0551 6.0567 6.0693 7.5178 7.5212 8.7282 8.7307 10.3945 10.4122 10.6920 10.6932 10.7304 10.7456 11.0454 11.0564 11.1049 11.1063 k = 0.5000 0.6022 0.0198 ( 6608 PWs) bands (ev): -20.1024 -20.1024 -7.0155 -7.0110 -6.7554 -6.7553 -6.0109 -6.0044 -5.8138 -5.8138 -5.1700 -5.1611 -4.2773 -4.2770 -4.2117 -4.1992 -0.8493 -0.8492 2.0626 2.0647 2.4804 2.4854 2.6257 2.6515 2.7407 2.7529 2.8791 2.8966 2.9071 2.9350 3.3598 3.3716 3.5659 3.5788 3.5875 3.6185 3.6707 3.6919 3.6989 3.7124 3.8956 3.9105 3.9164 3.9324 4.1300 4.1328 4.4585 4.4680 4.5714 4.5805 4.9061 4.9086 4.9312 4.9341 6.0554 6.0575 6.0593 6.0648 7.5290 7.5307 8.7212 8.7224 10.4356 10.4473 10.6829 10.6840 10.6953 10.7041 11.0512 11.0560 11.1142 11.1143 k = 0.5000 0.6022-0.0000 ( 6612 PWs) bands (ev): -20.1024 -20.1024 -7.0131 -7.0131 -6.7553 -6.7553 -6.0083 -6.0083 -5.8146 -5.8146 -5.1651 -5.1651 -4.2759 -4.2759 -4.2054 -4.2054 -0.8499 -0.8499 2.0622 2.0622 2.4853 2.4853 2.6401 2.6401 2.7502 2.7502 2.8866 2.8866 2.9174 2.9174 3.3664 3.3664 3.5849 3.5849 3.5991 3.5991 3.6785 3.6785 3.7022 3.7022 3.9107 3.9107 3.9158 3.9158 4.1279 4.1279 4.4645 4.4645 4.5764 4.5764 4.9039 4.9039 4.9316 4.9316 6.0577 6.0577 6.0614 6.0614 7.5333 7.5333 8.7192 8.7192 10.4577 10.4577 10.6798 10.6798 10.6835 10.6835 11.0541 11.0541 11.1167 11.1167 k = 0.0000 0.0000 0.6499 ( 6636 PWs) bands (ev): -20.1032 -20.1032 -6.9767 -6.9767 -6.8235 -6.8235 -5.8397 -5.8397 -5.5280 -5.5280 -5.3278 -5.3278 -4.5548 -4.5548 -4.3292 -4.3292 -0.5784 -0.5784 1.5043 1.5043 2.1282 2.1282 2.4529 2.4529 2.6641 2.6641 2.7918 2.7918 2.9168 2.9168 3.2059 3.2059 3.3426 3.3426 3.5358 3.5358 3.7126 3.7126 3.8432 3.8432 4.1933 4.1933 4.3197 4.3197 4.7430 4.7430 5.0145 5.0145 5.1467 5.1467 5.3387 5.3387 5.5052 5.5052 5.6186 5.6186 5.6452 5.6452 6.6752 6.6752 9.4800 9.4800 9.7901 9.7901 10.1853 10.1853 10.9017 10.9017 11.0662 11.0662 11.1531 11.1531 k = 0.0125 0.0151 0.6499 ( 6648 PWs) bands (ev): -20.1032 -20.1032 -6.9789 -6.9789 -6.8214 -6.8214 -5.8387 -5.8387 -5.5287 -5.5287 -5.3272 -5.3272 -4.5551 -4.5551 -4.3300 -4.3300 -0.5782 -0.5782 1.5054 1.5054 2.1276 2.1276 2.4522 2.4522 2.6639 2.6639 2.7915 2.7915 2.9169 2.9169 3.2055 3.2055 3.3429 3.3429 3.5355 3.5355 3.7119 3.7119 3.8438 3.8438 4.1931 4.1931 4.3194 4.3194 4.7441 4.7441 5.0153 5.0153 5.1473 5.1473 5.3385 5.3385 5.5051 5.5051 5.6190 5.6190 5.6456 5.6456 6.6731 6.6731 9.4783 9.4783 9.7923 9.7923 10.1832 10.1832 10.9028 10.9028 11.0459 11.0459 11.1756 11.1756 k = 0.0250 0.0301 0.6499 ( 6648 PWs) bands (ev): -20.1032 -20.1032 -6.9850 -6.9850 -6.8156 -6.8156 -5.8357 -5.8357 -5.5308 -5.5307 -5.3253 -5.3253 -4.5557 -4.5557 -4.3325 -4.3325 -0.5777 -0.5777 1.5088 1.5088 2.1258 2.1258 2.4501 2.4501 2.6635 2.6635 2.7904 2.7904 2.9172 2.9172 3.2046 3.2046 3.3440 3.3440 3.5346 3.5346 3.7098 3.7098 3.8457 3.8457 4.1926 4.1926 4.3186 4.3186 4.7474 4.7474 5.0176 5.0176 5.1490 5.1490 5.3381 5.3381 5.5048 5.5048 5.6194 5.6194 5.6477 5.6477 6.6670 6.6670 9.4730 9.4730 9.7988 9.7988 10.1768 10.1768 10.9061 10.9061 11.0091 11.0091 11.2188 11.2188 k = 0.0375 0.0452 0.6499 ( 6656 PWs) bands (ev): -20.1032 -20.1032 -6.9942 -6.9942 -6.8068 -6.8068 -5.8308 -5.8308 -5.5339 -5.5339 -5.3225 -5.3225 -4.5569 -4.5569 -4.3366 -4.3366 -0.5767 -0.5767 1.5144 1.5144 2.1229 2.1229 2.4467 2.4467 2.6628 2.6628 2.7888 2.7888 2.9178 2.9178 3.2029 3.2029 3.3456 3.3456 3.5331 3.5331 3.7065 3.7065 3.8485 3.8485 4.1918 4.1918 4.3172 4.3172 4.7528 4.7528 5.0216 5.0216 5.1518 5.1518 5.3374 5.3374 5.5042 5.5042 5.6182 5.6182 5.6529 5.6529 6.6568 6.6568 9.4646 9.4646 9.8095 9.8095 10.1668 10.1668 10.9110 10.9110 10.9716 10.9716 11.2659 11.2659 k = 0.0500 0.0602 0.6499 ( 6660 PWs) bands (ev): -20.1032 -20.1032 -7.0056 -7.0056 -6.7962 -6.7962 -5.8242 -5.8242 -5.5378 -5.5378 -5.3189 -5.3189 -4.5584 -4.5584 -4.3423 -4.3423 -0.5754 -0.5754 1.5221 1.5221 2.1188 2.1188 2.4420 2.4420 2.6618 2.6618 2.7865 2.7865 2.9186 2.9186 3.2007 3.2007 3.3480 3.3480 3.5310 3.5310 3.7024 3.7024 3.8519 3.8519 4.1908 4.1908 4.3152 4.3152 4.7603 4.7603 5.0270 5.0270 5.1555 5.1555 5.3366 5.3366 5.5032 5.5032 5.6145 5.6145 5.6622 5.6622 6.6428 6.6428 9.4535 9.4535 9.8240 9.8240 10.1539 10.1539 10.9130 10.9130 10.9409 10.9409 11.3090 11.3090 k = 0.0625 0.0753 0.6499 ( 6660 PWs) bands (ev): -20.1032 -20.1032 -7.0182 -7.0182 -6.7844 -6.7844 -5.8161 -5.8161 -5.5421 -5.5421 -5.3149 -5.3149 -4.5603 -4.5603 -4.3494 -4.3494 -0.5738 -0.5738 1.5321 1.5321 2.1134 2.1134 2.4362 2.4362 2.6606 2.6606 2.7836 2.7836 2.9196 2.9196 3.1980 3.1980 3.3509 3.3509 3.5284 3.5284 3.6978 3.6978 3.8558 3.8558 4.1897 4.1897 4.3126 4.3126 4.7697 4.7697 5.0339 5.0339 5.1597 5.1597 5.3358 5.3358 5.5016 5.5016 5.6085 5.6085 5.6754 5.6754 6.6252 6.6252 9.4402 9.4402 9.8416 9.8416 10.1390 10.1390 10.8924 10.8924 10.9372 10.9372 11.3242 11.3242 k = 0.0750 0.0903 0.6499 ( 6664 PWs) bands (ev): -20.1032 -20.1032 -7.0314 -7.0314 -6.7721 -6.7721 -5.8068 -5.8068 -5.5463 -5.5463 -5.3108 -5.3108 -4.5626 -4.5625 -4.3577 -4.3577 -0.5719 -0.5719 1.5440 1.5440 2.1067 2.1067 2.4293 2.4293 2.6592 2.6592 2.7803 2.7803 2.9209 2.9209 3.1948 3.1948 3.3544 3.3544 3.5254 3.5254 3.6929 3.6929 3.8596 3.8596 4.1886 4.1886 4.3096 4.3096 4.7812 4.7812 5.0422 5.0422 5.1644 5.1644 5.3352 5.3352 5.4996 5.4996 5.6005 5.6005 5.6920 5.6920 6.6042 6.6042 9.4255 9.4255 9.8618 9.8618 10.1228 10.1228 10.8622 10.8622 10.9474 10.9474 11.3104 11.3104 k = 0.0875 0.1054 0.6499 ( 6658 PWs) bands (ev): -20.1032 -20.1032 -7.0448 -7.0448 -6.7597 -6.7597 -5.7966 -5.7966 -5.5499 -5.5498 -5.3070 -5.3070 -4.5651 -4.5651 -4.3671 -4.3671 -0.5698 -0.5698 1.5580 1.5580 2.0986 2.0986 2.4216 2.4216 2.6576 2.6576 2.7766 2.7766 2.9223 2.9223 3.1913 3.1913 3.3585 3.3585 3.5219 3.5219 3.6880 3.6880 3.8634 3.8634 4.1876 4.1876 4.3060 4.3060 4.7944 4.7944 5.0518 5.0518 5.1691 5.1691 5.3349 5.3349 5.4970 5.4970 5.5909 5.5909 5.7115 5.7115 6.5802 6.5802 9.4099 9.4099 9.8839 9.8839 10.1063 10.1063 10.8326 10.8326 10.9608 10.9608 11.2909 11.2909 k = 0.1000 0.1204 0.6499 ( 6652 PWs) bands (ev): -20.1032 -20.1032 -7.0581 -7.0581 -6.7476 -6.7476 -5.7861 -5.7861 -5.5522 -5.5522 -5.3038 -5.3038 -4.5678 -4.5678 -4.3774 -4.3774 -0.5675 -0.5675 1.5738 1.5738 2.0891 2.0891 2.4132 2.4132 2.6559 2.6560 2.7725 2.7725 2.9240 2.9240 3.1874 3.1874 3.3630 3.3630 3.5181 3.5181 3.6832 3.6832 3.8668 3.8668 4.1867 4.1867 4.3020 4.3020 4.8092 4.8092 5.0626 5.0626 5.1736 5.1736 5.3349 5.3349 5.4939 5.4939 5.5799 5.5799 5.7336 5.7336 6.5534 6.5534 9.3942 9.3942 9.9069 9.9069 10.0901 10.0901 10.8044 10.8044 10.9759 10.9759 11.2711 11.2711 k = 0.1125 0.1355 0.6499 ( 6640 PWs) bands (ev): -20.1032 -20.1032 -7.0709 -7.0709 -6.7359 -6.7359 -5.7758 -5.7758 -5.5529 -5.5528 -5.3015 -5.3015 -4.5707 -4.5707 -4.3883 -4.3883 -0.5651 -0.5651 1.5914 1.5914 2.0782 2.0782 2.4044 2.4044 2.6542 2.6542 2.7683 2.7683 2.9258 2.9258 3.1833 3.1833 3.3681 3.3681 3.5139 3.5139 3.6786 3.6786 3.8699 3.8699 4.1861 4.1861 4.2976 4.2976 4.8255 4.8255 5.0744 5.0744 5.1776 5.1776 5.3353 5.3353 5.4903 5.4903 5.5677 5.5677 5.7580 5.7580 6.5243 6.5243 9.3790 9.3790 9.9299 9.9299 10.0749 10.0749 10.7776 10.7776 10.9922 10.9922 11.2530 11.2530 k = 0.1250 0.1506 0.6499 ( 6640 PWs) bands (ev): -20.1032 -20.1032 -7.0832 -7.0832 -6.7249 -6.7249 -5.7662 -5.7662 -5.5512 -5.5512 -5.3003 -5.3002 -4.5736 -4.5736 -4.3996 -4.3996 -0.5626 -0.5626 1.6106 1.6106 2.0656 2.0656 2.3953 2.3953 2.6524 2.6524 2.7640 2.7640 2.9278 2.9278 3.1791 3.1791 3.3735 3.3735 3.5095 3.5095 3.6744 3.6744 3.8725 3.8725 4.1859 4.1859 4.2927 4.2927 4.8430 4.8430 5.0871 5.0871 5.1808 5.1808 5.3359 5.3359 5.4863 5.4863 5.5547 5.5547 5.7843 5.7843 6.4931 6.4931 9.3648 9.3648 9.9521 9.9521 10.0612 10.0612 10.7519 10.7519 11.0093 11.0093 11.2381 11.2381 k = 0.1375 0.1656 0.6499 ( 6658 PWs) bands (ev): -20.1032 -20.1032 -7.0946 -7.0946 -6.7146 -6.7146 -5.7579 -5.7579 -5.5469 -5.5469 -5.3004 -5.3004 -4.5765 -4.5765 -4.4110 -4.4110 -0.5602 -0.5602 1.6313 1.6313 2.0516 2.0516 2.3861 2.3861 2.6506 2.6506 2.7597 2.7597 2.9297 2.9297 3.1748 3.1748 3.3793 3.3793 3.5048 3.5048 3.6705 3.6705 3.8747 3.8747 4.1861 4.1861 4.2874 4.2874 4.8616 4.8616 5.1002 5.1002 5.1831 5.1831 5.3368 5.3368 5.4819 5.4819 5.5410 5.5410 5.8125 5.8125 6.4601 6.4601 9.3520 9.3520 9.9726 9.9726 10.0492 10.0492 10.7273 10.7273 11.0267 11.0267 11.2277 11.2277 k = 0.1500 0.1807 0.6499 ( 6650 PWs) bands (ev): -20.1032 -20.1032 -7.1052 -7.1052 -6.7052 -6.7052 -5.7513 -5.7513 -5.5396 -5.5396 -5.3020 -5.3020 -4.5793 -4.5792 -4.4222 -4.4222 -0.5577 -0.5577 1.6534 1.6534 2.0359 2.0359 2.3772 2.3772 2.6489 2.6489 2.7555 2.7555 2.9317 2.9317 3.1707 3.1707 3.3853 3.3853 3.4999 3.4999 3.6670 3.6670 3.8764 3.8764 4.1867 4.1867 4.2820 4.2820 4.8809 4.8809 5.1136 5.1136 5.1845 5.1845 5.3378 5.3378 5.4773 5.4773 5.5269 5.5269 5.8423 5.8423 6.4257 6.4257 9.3408 9.3408 9.9905 9.9905 10.0392 10.0392 10.7038 10.7038 11.0440 11.0440 11.2225 11.2225 k = 0.1625 0.1957 0.6499 ( 6648 PWs) bands (ev): -20.1032 -20.1032 -7.1147 -7.1147 -6.6968 -6.6968 -5.7464 -5.7464 -5.5295 -5.5295 -5.3053 -5.3053 -4.5818 -4.5818 -4.4330 -4.4330 -0.5554 -0.5554 1.6765 1.6765 2.0188 2.0188 2.3688 2.3688 2.6473 2.6473 2.7516 2.7516 2.9337 2.9337 3.1667 3.1667 3.3916 3.3916 3.4948 3.4948 3.6640 3.6640 3.8778 3.8778 4.1878 4.1878 4.2765 4.2765 4.9005 4.9005 5.1264 5.1264 5.1853 5.1853 5.3387 5.3387 5.4726 5.4726 5.5129 5.5129 5.8734 5.8734 6.3901 6.3901 9.3315 9.3315 10.0054 10.0054 10.0315 10.0315 10.6815 10.6815 11.0608 11.0608 11.2234 11.2234 k = 0.1750 0.2108 0.6499 ( 6646 PWs) bands (ev): -20.1032 -20.1032 -7.1231 -7.1231 -6.6894 -6.6894 -5.7431 -5.7431 -5.5170 -5.5170 -5.3102 -5.3102 -4.5841 -4.5841 -4.4431 -4.4431 -0.5533 -0.5533 1.7006 1.7006 2.0002 2.0002 2.3610 2.3610 2.6458 2.6458 2.7480 2.7480 2.9356 2.9356 3.1630 3.1630 3.3981 3.3981 3.4896 3.4896 3.6613 3.6613 3.8788 3.8788 4.1893 4.1893 4.2710 4.2710 4.9202 4.9202 5.1374 5.1374 5.1865 5.1865 5.3394 5.3394 5.4679 5.4679 5.4993 5.4993 5.9058 5.9058 6.3536 6.3536 9.3240 9.3240 10.0166 10.0166 10.0261 10.0261 10.6607 10.6607 11.0766 11.0766 11.2306 11.2306 k = 0.1875 0.2258 0.6499 ( 6638 PWs) bands (ev): -20.1032 -20.1032 -7.1304 -7.1304 -6.6830 -6.6830 -5.7412 -5.7412 -5.5027 -5.5027 -5.3167 -5.3167 -4.5861 -4.5861 -4.4522 -4.4522 -0.5514 -0.5514 1.7254 1.7254 1.9802 1.9802 2.3540 2.3540 2.6445 2.6445 2.7448 2.7448 2.9374 2.9374 3.1597 3.1597 3.4045 3.4045 3.4843 3.4843 3.6591 3.6591 3.8796 3.8796 4.1911 4.1911 4.2656 4.2656 4.9393 4.9393 5.1449 5.1449 5.1897 5.1897 5.3395 5.3395 5.4633 5.4633 5.4865 5.4865 5.9392 5.9392 6.3166 6.3166 9.3183 9.3183 10.0212 10.0212 10.0260 10.0260 10.6419 10.6419 11.0910 11.0910 11.2442 11.2442 k = 0.2000 0.2409 0.6499 ( 6642 PWs) bands (ev): -20.1032 -20.1032 -7.1364 -7.1364 -6.6777 -6.6777 -5.7403 -5.7403 -5.4875 -5.4875 -5.3246 -5.3246 -4.5877 -4.5877 -4.4601 -4.4601 -0.5498 -0.5498 1.7506 1.7506 1.9591 1.9591 2.3480 2.3480 2.6433 2.6433 2.7422 2.7422 2.9389 2.9389 3.1568 3.1568 3.4108 3.4108 3.4790 3.4790 3.6572 3.6572 3.8801 3.8801 4.1931 4.1931 4.2606 4.2606 4.9572 4.9572 5.1472 5.1472 5.1960 5.1960 5.3391 5.3391 5.4590 5.4590 5.4752 5.4752 5.9735 5.9735 6.2792 6.2792 9.3141 9.3141 10.0202 10.0202 10.0302 10.0302 10.6255 10.6255 11.1034 11.1034 11.2637 11.2637 k = 0.2125 0.2560 0.6499 ( 6668 PWs) bands (ev): -20.1032 -20.1032 -7.1411 -7.1411 -6.6736 -6.6736 -5.7400 -5.7400 -5.4725 -5.4725 -5.3332 -5.3332 -4.5889 -4.5889 -4.4666 -4.4666 -0.5485 -0.5485 1.7758 1.7758 1.9371 1.9371 2.3432 2.3432 2.6423 2.6423 2.7400 2.7400 2.9402 2.9402 3.1544 3.1544 3.4166 3.4166 3.4740 3.4740 3.6558 3.6558 3.8804 3.8804 4.1951 4.1951 4.2561 4.2561 4.9732 4.9732 5.1456 5.1456 5.2045 5.2045 5.3378 5.3378 5.4553 5.4553 5.4659 5.4659 6.0082 6.0082 6.2420 6.2420 9.3112 9.3112 10.0204 10.0204 10.0321 10.0321 10.6121 10.6121 11.1137 11.1137 11.2886 11.2886 k = 0.2250 0.2710 0.6499 ( 6682 PWs) bands (ev): -20.1032 -20.1032 -7.1445 -7.1445 -6.6706 -6.6706 -5.7400 -5.7400 -5.4591 -5.4591 -5.3417 -5.3417 -4.5898 -4.5898 -4.4713 -4.4713 -0.5476 -0.5476 1.8004 1.8004 1.9150 1.9150 2.3397 2.3397 2.6417 2.6417 2.7384 2.7384 2.9411 2.9411 3.1526 3.1526 3.4217 3.4217 3.4695 3.4695 3.6548 3.6548 3.8806 3.8806 4.1969 4.1969 4.2526 4.2526 4.9861 4.9861 5.1422 5.1422 5.2126 5.2126 5.3362 5.3362 5.4525 5.4525 5.4589 5.4589 6.0428 6.0428 6.2056 6.2056 9.3093 9.3093 10.0220 10.0220 10.0318 10.0318 10.6020 10.6020 11.1212 11.1212 11.3176 11.3176 k = 0.2375 0.2861 0.6499 ( 6656 PWs) bands (ev): -20.1032 -20.1032 -7.1465 -7.1465 -6.6688 -6.6688 -5.7400 -5.7400 -5.4494 -5.4494 -5.3483 -5.3483 -4.5903 -4.5903 -4.4742 -4.4742 -0.5470 -0.5470 1.8222 1.8222 1.8945 1.8945 2.3376 2.3376 2.6413 2.6413 2.7375 2.7375 2.9417 2.9417 3.1516 3.1516 3.4253 3.4253 3.4663 3.4663 3.6542 3.6542 3.8807 3.8807 4.1982 4.1982 4.2503 4.2503 4.9946 4.9946 5.1391 5.1391 5.2185 5.2185 5.3346 5.3346 5.4510 5.4510 5.4544 5.4544 6.0751 6.0751 6.1722 6.1722 9.3083 9.3083 10.0244 10.0244 10.0300 10.0300 10.5959 10.5959 11.1259 11.1259 11.3481 11.3481 k = 0.2500 0.3011 0.6499 ( 6660 PWs) bands (ev): -20.1032 -20.1032 -7.1472 -7.1472 -6.6682 -6.6682 -5.7401 -5.7401 -5.4458 -5.4458 -5.3509 -5.3509 -4.5905 -4.5905 -4.4752 -4.4752 -0.5468 -0.5468 1.8333 1.8333 1.8839 1.8839 2.3369 2.3369 2.6411 2.6411 2.7371 2.7371 2.9419 2.9419 3.1513 3.1513 3.4267 3.4267 3.4651 3.4651 3.6540 3.6540 3.8808 3.8808 4.1986 4.1986 4.2495 4.2495 4.9977 4.9977 5.1379 5.1379 5.2206 5.2206 5.3340 5.3340 5.4506 5.4506 5.4527 5.4527 6.0930 6.0930 6.1539 6.1539 9.3080 9.3080 10.0271 10.0271 10.0275 10.0275 10.5938 10.5938 11.1274 11.1274 11.3672 11.3672 Writing output data file BaAg2GeS4.save init_run : 1.45s CPU 0.84s WALL ( 1 calls) electrons : 440.71s CPU 356.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 440.71s CPU 356.25s 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 : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.53s CPU 0.29s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.29s CPU 0.43s WALL ( 272 calls) cegterg : 374.24s CPU 318.65s WALL ( 307 calls) Called by sum_band: Called by *egterg: h_psi : 264.38s CPU 192.96s WALL ( 5756 calls) s_psi : 16.07s CPU 12.35s WALL ( 5756 calls) g_psi : 0.20s CPU 0.21s WALL ( 5177 calls) cdiaghg : 122.90s CPU 118.01s WALL ( 5449 calls) cegterg:over : 12.31s CPU 11.81s WALL ( 5177 calls) cegterg:upda : 7.90s CPU 7.39s WALL ( 5177 calls) cegterg:last : 3.86s CPU 3.88s WALL ( 885 calls) cdiaghg:chol : 5.13s CPU 5.12s WALL ( 5449 calls) cdiaghg:inve : 3.76s CPU 3.67s WALL ( 5449 calls) cdiaghg:para : 7.30s CPU 7.18s WALL ( 10898 calls) Called by h_psi: h_psi:vloc : 231.39s CPU 166.83s WALL ( 5756 calls) h_psi:vnl : 32.71s CPU 25.91s WALL ( 5756 calls) add_vuspsi : 19.09s CPU 14.79s WALL ( 5756 calls) General routines calbec : 13.58s CPU 11.10s WALL ( 5756 calls) fft : 0.09s CPU 0.05s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 226.06s CPU 162.50s WALL ( 890060 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.32s CPU 0.75s WALL ( 544 calls) Parallel routines fft_scatter : 119.08s CPU 96.38s WALL ( 890083 calls) PWSCF : 7m59.49s CPU 6m53.92s WALL This run was terminated on: 12:18:50 15Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=