Program PWSCF v.5.4.0 starts on 11Feb2017 at 5:13:47 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Al2Zn3O6.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 45 26 7 2348 1031 164 Max 46 27 8 2352 1049 170 Sum 1633 943 283 84573 37399 6049 bravais-lattice index = 14 lattice parameter (alat) = 6.1263 a.u. unit-cell volume = 858.4642 (a.u.)^3 number of atoms/cell = 11 number of atomic types = 3 number of electrons = 78.00 number of Kohn-Sham states= 94 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.126272 celldm(2)= 1.680279 celldm(3)= 2.360315 celldm(4)= 0.337245 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.680279 0.000000 ) a(3) = ( 0.000000 0.796004 2.222041 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.595139 -0.213197 ) b(3) = ( 0.000000 0.000000 0.450037 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 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 1095 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. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 O 6.00 15.99940 O( 1.00) Al 3.00 26.98150 Al( 1.00) Zn 12.00 65.40900 Zn( 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 [1,0,0] cryst. s( 2) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 [1,0,0] -s -2 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 302 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 2) = ( 0.0000000 0.0000000 0.0102281), wk = 0.0033113 k( 3) = ( 0.0000000 0.0000000 0.0204562), wk = 0.0033113 k( 4) = ( 0.0000000 0.0000000 0.0306843), wk = 0.0033113 k( 5) = ( 0.0000000 0.0000000 0.0409124), wk = 0.0033113 k( 6) = ( 0.0000000 0.0000000 0.0511405), wk = 0.0033113 k( 7) = ( 0.0000000 0.0000000 0.0613687), wk = 0.0033113 k( 8) = ( 0.0000000 0.0000000 0.0715968), wk = 0.0033113 k( 9) = ( 0.0000000 0.0000000 0.0818249), wk = 0.0033113 k( 10) = ( 0.0000000 0.0000000 0.0920530), wk = 0.0033113 k( 11) = ( 0.0000000 0.0000000 0.1022811), wk = 0.0033113 k( 12) = ( 0.0000000 0.0000000 0.1125092), wk = 0.0033113 k( 13) = ( 0.0000000 0.0000000 0.1227373), wk = 0.0033113 k( 14) = ( 0.0000000 0.0000000 0.1329654), wk = 0.0033113 k( 15) = ( 0.0000000 0.0000000 0.1431935), wk = 0.0033113 k( 16) = ( 0.0000000 0.0000000 0.1534216), wk = 0.0033113 k( 17) = ( 0.0000000 0.0000000 0.1636497), wk = 0.0033113 k( 18) = ( 0.0000000 0.0000000 0.1738779), wk = 0.0033113 k( 19) = ( 0.0000000 0.0000000 0.1841060), wk = 0.0033113 k( 20) = ( 0.0000000 0.0000000 0.1943341), wk = 0.0033113 k( 21) = ( 0.0000000 0.0000000 0.2045622), wk = 0.0033113 k( 22) = ( 0.0000000 0.0000000 0.2147903), wk = 0.0033113 k( 23) = ( 0.0000000 0.0000000 0.2250184), wk = 0.0033113 k( 24) = ( 0.0000000 0.0000000 0.2250184), wk = 0.0033113 k( 25) = ( 0.0000000 0.0102059 0.2250184), wk = 0.0033113 k( 26) = ( 0.0000000 0.0204118 0.2250184), wk = 0.0033113 k( 27) = ( 0.0000000 0.0306178 0.2250184), wk = 0.0033113 k( 28) = ( 0.0000000 0.0408237 0.2250184), wk = 0.0033113 k( 29) = ( 0.0000000 0.0510296 0.2250184), wk = 0.0033113 k( 30) = ( 0.0000000 0.0612355 0.2250184), wk = 0.0033113 k( 31) = ( 0.0000000 0.0714415 0.2250184), wk = 0.0033113 k( 32) = ( 0.0000000 0.0816474 0.2250184), wk = 0.0033113 k( 33) = ( 0.0000000 0.0918533 0.2250184), wk = 0.0033113 k( 34) = ( 0.0000000 0.1020592 0.2250184), wk = 0.0033113 k( 35) = ( 0.0000000 0.1122652 0.2250184), wk = 0.0033113 k( 36) = ( 0.0000000 0.1224711 0.2250184), wk = 0.0033113 k( 37) = ( 0.0000000 0.1326770 0.2250184), wk = 0.0033113 k( 38) = ( 0.0000000 0.1428829 0.2250184), wk = 0.0033113 k( 39) = ( 0.0000000 0.1530889 0.2250184), wk = 0.0033113 k( 40) = ( 0.0000000 0.1632948 0.2250184), wk = 0.0033113 k( 41) = ( 0.0000000 0.1735007 0.2250184), wk = 0.0033113 k( 42) = ( 0.0000000 0.1837066 0.2250184), wk = 0.0033113 k( 43) = ( 0.0000000 0.1939126 0.2250184), wk = 0.0033113 k( 44) = ( 0.0000000 0.2041185 0.2250184), wk = 0.0033113 k( 45) = ( 0.0000000 0.2143244 0.2250184), wk = 0.0033113 k( 46) = ( 0.0000000 0.2245303 0.2250184), wk = 0.0033113 k( 47) = ( 0.0000000 0.2347363 0.2250184), wk = 0.0033113 k( 48) = ( 0.0000000 0.2449422 0.2250184), wk = 0.0033113 k( 49) = ( 0.0000000 0.2551481 0.2250184), wk = 0.0033113 k( 50) = ( 0.0000000 0.2551481 0.2250184), wk = 0.0033113 k( 51) = ( 0.0000000 0.2586832 0.2161352), wk = 0.0033113 k( 52) = ( 0.0000000 0.2622184 0.2072519), wk = 0.0033113 k( 53) = ( 0.0000000 0.2657535 0.1983687), wk = 0.0033113 k( 54) = ( 0.0000000 0.2692886 0.1894855), wk = 0.0033113 k( 55) = ( 0.0000000 0.2728238 0.1806023), wk = 0.0033113 k( 56) = ( 0.0000000 0.2763589 0.1717190), wk = 0.0033113 k( 57) = ( 0.0000000 0.2798940 0.1628358), wk = 0.0033113 k( 58) = ( 0.0000000 0.2834292 0.1539526), wk = 0.0033113 k( 59) = ( 0.0000000 0.2869643 0.1450694), wk = 0.0033113 k( 60) = ( 0.0000000 0.2904994 0.1361861), wk = 0.0033113 k( 61) = ( 0.0000000 0.2940346 0.1273029), wk = 0.0033113 k( 62) = ( 0.0000000 0.2975697 0.1184197), wk = 0.0033113 k( 63) = ( 0.0000000 0.2975697 0.1184197), wk = 0.0033113 k( 64) = ( 0.0102041 0.2975697 0.1184197), wk = 0.0033113 k( 65) = ( 0.0204082 0.2975697 0.1184197), wk = 0.0033113 k( 66) = ( 0.0306122 0.2975697 0.1184197), wk = 0.0033113 k( 67) = ( 0.0408163 0.2975697 0.1184197), wk = 0.0033113 k( 68) = ( 0.0510204 0.2975697 0.1184197), wk = 0.0033113 k( 69) = ( 0.0612245 0.2975697 0.1184197), wk = 0.0033113 k( 70) = ( 0.0714286 0.2975697 0.1184197), wk = 0.0033113 k( 71) = ( 0.0816327 0.2975697 0.1184197), wk = 0.0033113 k( 72) = ( 0.0918367 0.2975697 0.1184197), wk = 0.0033113 k( 73) = ( 0.1020408 0.2975697 0.1184197), wk = 0.0033113 k( 74) = ( 0.1122449 0.2975697 0.1184197), wk = 0.0033113 k( 75) = ( 0.1224490 0.2975697 0.1184197), wk = 0.0033113 k( 76) = ( 0.1326531 0.2975697 0.1184197), wk = 0.0033113 k( 77) = ( 0.1428571 0.2975697 0.1184197), wk = 0.0033113 k( 78) = ( 0.1530612 0.2975697 0.1184197), wk = 0.0033113 k( 79) = ( 0.1632653 0.2975697 0.1184197), wk = 0.0033113 k( 80) = ( 0.1734694 0.2975697 0.1184197), wk = 0.0033113 k( 81) = ( 0.1836735 0.2975697 0.1184197), wk = 0.0033113 k( 82) = ( 0.1938776 0.2975697 0.1184197), wk = 0.0033113 k( 83) = ( 0.2040816 0.2975697 0.1184197), wk = 0.0033113 k( 84) = ( 0.2142857 0.2975697 0.1184197), wk = 0.0033113 k( 85) = ( 0.2244898 0.2975697 0.1184197), wk = 0.0033113 k( 86) = ( 0.2346939 0.2975697 0.1184197), wk = 0.0033113 k( 87) = ( 0.2448980 0.2975697 0.1184197), wk = 0.0033113 k( 88) = ( 0.2551020 0.2975697 0.1184197), wk = 0.0033113 k( 89) = ( 0.2653061 0.2975697 0.1184197), wk = 0.0033113 k( 90) = ( 0.2755102 0.2975697 0.1184197), wk = 0.0033113 k( 91) = ( 0.2857143 0.2975697 0.1184197), wk = 0.0033113 k( 92) = ( 0.2959184 0.2975697 0.1184197), wk = 0.0033113 k( 93) = ( 0.3061224 0.2975697 0.1184197), wk = 0.0033113 k( 94) = ( 0.3163265 0.2975697 0.1184197), wk = 0.0033113 k( 95) = ( 0.3265306 0.2975697 0.1184197), wk = 0.0033113 k( 96) = ( 0.3367347 0.2975697 0.1184197), wk = 0.0033113 k( 97) = ( 0.3469388 0.2975697 0.1184197), wk = 0.0033113 k( 98) = ( 0.3571429 0.2975697 0.1184197), wk = 0.0033113 k( 99) = ( 0.3673469 0.2975697 0.1184197), wk = 0.0033113 k( 100) = ( 0.3775510 0.2975697 0.1184197), wk = 0.0033113 k( 101) = ( 0.3877551 0.2975697 0.1184197), wk = 0.0033113 k( 102) = ( 0.3979592 0.2975697 0.1184197), wk = 0.0033113 k( 103) = ( 0.4081633 0.2975697 0.1184197), wk = 0.0033113 k( 104) = ( 0.4183674 0.2975697 0.1184197), wk = 0.0033113 k( 105) = ( 0.4285714 0.2975697 0.1184197), wk = 0.0033113 k( 106) = ( 0.4387755 0.2975697 0.1184197), wk = 0.0033113 k( 107) = ( 0.4489796 0.2975697 0.1184197), wk = 0.0033113 k( 108) = ( 0.4591837 0.2975697 0.1184197), wk = 0.0033113 k( 109) = ( 0.4693878 0.2975697 0.1184197), wk = 0.0033113 k( 110) = ( 0.4795918 0.2975697 0.1184197), wk = 0.0033113 k( 111) = ( 0.4897959 0.2975697 0.1184197), wk = 0.0033113 k( 112) = ( 0.5000000 0.2975697 0.1184197), wk = 0.0033113 k( 113) = ( 0.5000000 0.2975697 0.1184197), wk = 0.0033113 k( 114) = ( 0.5000000 0.3011049 0.1095365), wk = 0.0033113 k( 115) = ( 0.5000000 0.3046400 0.1006532), wk = 0.0033113 k( 116) = ( 0.5000000 0.3081751 0.0917700), wk = 0.0033113 k( 117) = ( 0.5000000 0.3117103 0.0828868), wk = 0.0033113 k( 118) = ( 0.5000000 0.3152454 0.0740036), wk = 0.0033113 k( 119) = ( 0.5000000 0.3187805 0.0651203), wk = 0.0033113 k( 120) = ( 0.5000000 0.3223157 0.0562371), wk = 0.0033113 k( 121) = ( 0.5000000 0.3258508 0.0473539), wk = 0.0033113 k( 122) = ( 0.5000000 0.3293859 0.0384707), wk = 0.0033113 k( 123) = ( 0.5000000 0.3329211 0.0295874), wk = 0.0033113 k( 124) = ( 0.5000000 0.3364562 0.0207042), wk = 0.0033113 k( 125) = ( 0.5000000 0.3399913 0.0118210), wk = 0.0033113 k( 126) = ( 0.5000000 0.3399913 0.0118210), wk = 0.0033113 k( 127) = ( 0.5000000 0.3367281 0.0027118), wk = 0.0033113 k( 128) = ( 0.5000000 0.3334649 -0.0063974), wk = 0.0033113 k( 129) = ( 0.5000000 0.3302017 -0.0155066), wk = 0.0033113 k( 130) = ( 0.5000000 0.3269385 -0.0246158), wk = 0.0033113 k( 131) = ( 0.5000000 0.3236753 -0.0337251), wk = 0.0033113 k( 132) = ( 0.5000000 0.3204121 -0.0428343), wk = 0.0033113 k( 133) = ( 0.5000000 0.3171489 -0.0519435), wk = 0.0033113 k( 134) = ( 0.5000000 0.3138857 -0.0610527), wk = 0.0033113 k( 135) = ( 0.5000000 0.3106225 -0.0701619), wk = 0.0033113 k( 136) = ( 0.5000000 0.3073593 -0.0792711), wk = 0.0033113 k( 137) = ( 0.5000000 0.3040961 -0.0883803), wk = 0.0033113 k( 138) = ( 0.5000000 0.3008329 -0.0974895), wk = 0.0033113 k( 139) = ( 0.5000000 0.2975697 -0.1065987), wk = 0.0033113 k( 140) = ( 0.5000000 0.2975697 -0.1065987), wk = 0.0033113 k( 141) = ( 0.4897959 0.2975697 -0.1065987), wk = 0.0033113 k( 142) = ( 0.4795918 0.2975697 -0.1065987), wk = 0.0033113 k( 143) = ( 0.4693878 0.2975697 -0.1065987), wk = 0.0033113 k( 144) = ( 0.4591837 0.2975697 -0.1065987), wk = 0.0033113 k( 145) = ( 0.4489796 0.2975697 -0.1065987), wk = 0.0033113 k( 146) = ( 0.4387755 0.2975697 -0.1065987), wk = 0.0033113 k( 147) = ( 0.4285714 0.2975697 -0.1065987), wk = 0.0033113 k( 148) = ( 0.4183674 0.2975697 -0.1065987), wk = 0.0033113 k( 149) = ( 0.4081633 0.2975697 -0.1065987), wk = 0.0033113 k( 150) = ( 0.3979592 0.2975697 -0.1065987), wk = 0.0033113 k( 151) = ( 0.3877551 0.2975697 -0.1065987), wk = 0.0033113 k( 152) = ( 0.3775510 0.2975697 -0.1065987), wk = 0.0033113 k( 153) = ( 0.3673469 0.2975697 -0.1065987), wk = 0.0033113 k( 154) = ( 0.3571429 0.2975697 -0.1065987), wk = 0.0033113 k( 155) = ( 0.3469388 0.2975697 -0.1065987), wk = 0.0033113 k( 156) = ( 0.3367347 0.2975697 -0.1065987), wk = 0.0033113 k( 157) = ( 0.3265306 0.2975697 -0.1065987), wk = 0.0033113 k( 158) = ( 0.3163265 0.2975697 -0.1065987), wk = 0.0033113 k( 159) = ( 0.3061224 0.2975697 -0.1065987), wk = 0.0033113 k( 160) = ( 0.2959184 0.2975697 -0.1065987), wk = 0.0033113 k( 161) = ( 0.2857143 0.2975697 -0.1065987), wk = 0.0033113 k( 162) = ( 0.2755102 0.2975697 -0.1065987), wk = 0.0033113 k( 163) = ( 0.2653061 0.2975697 -0.1065987), wk = 0.0033113 k( 164) = ( 0.2551020 0.2975697 -0.1065987), wk = 0.0033113 k( 165) = ( 0.2448980 0.2975697 -0.1065987), wk = 0.0033113 k( 166) = ( 0.2346939 0.2975697 -0.1065987), wk = 0.0033113 k( 167) = ( 0.2244898 0.2975697 -0.1065987), wk = 0.0033113 k( 168) = ( 0.2142857 0.2975697 -0.1065987), wk = 0.0033113 k( 169) = ( 0.2040816 0.2975697 -0.1065987), wk = 0.0033113 k( 170) = ( 0.1938776 0.2975697 -0.1065987), wk = 0.0033113 k( 171) = ( 0.1836735 0.2975697 -0.1065987), wk = 0.0033113 k( 172) = ( 0.1734694 0.2975697 -0.1065987), wk = 0.0033113 k( 173) = ( 0.1632653 0.2975697 -0.1065987), wk = 0.0033113 k( 174) = ( 0.1530612 0.2975697 -0.1065987), wk = 0.0033113 k( 175) = ( 0.1428571 0.2975697 -0.1065987), wk = 0.0033113 k( 176) = ( 0.1326531 0.2975697 -0.1065987), wk = 0.0033113 k( 177) = ( 0.1224490 0.2975697 -0.1065987), wk = 0.0033113 k( 178) = ( 0.1122449 0.2975697 -0.1065987), wk = 0.0033113 k( 179) = ( 0.1020408 0.2975697 -0.1065987), wk = 0.0033113 k( 180) = ( 0.0918367 0.2975697 -0.1065987), wk = 0.0033113 k( 181) = ( 0.0816327 0.2975697 -0.1065987), wk = 0.0033113 k( 182) = ( 0.0714286 0.2975697 -0.1065987), wk = 0.0033113 k( 183) = ( 0.0612245 0.2975697 -0.1065987), wk = 0.0033113 k( 184) = ( 0.0510204 0.2975697 -0.1065987), wk = 0.0033113 k( 185) = ( 0.0408163 0.2975697 -0.1065987), wk = 0.0033113 k( 186) = ( 0.0306122 0.2975697 -0.1065987), wk = 0.0033113 k( 187) = ( 0.0204082 0.2975697 -0.1065987), wk = 0.0033113 k( 188) = ( 0.0102041 0.2975697 -0.1065987), wk = 0.0033113 k( 189) = ( 0.0000000 0.2975697 -0.1065987), wk = 0.0033113 k( 190) = ( 0.0000000 0.2975697 -0.1065987), wk = 0.0033113 k( 191) = ( 0.0000000 0.3008329 -0.0974895), wk = 0.0033113 k( 192) = ( 0.0000000 0.3040961 -0.0883803), wk = 0.0033113 k( 193) = ( 0.0000000 0.3073593 -0.0792711), wk = 0.0033113 k( 194) = ( 0.0000000 0.3106225 -0.0701619), wk = 0.0033113 k( 195) = ( 0.0000000 0.3138857 -0.0610527), wk = 0.0033113 k( 196) = ( 0.0000000 0.3171489 -0.0519435), wk = 0.0033113 k( 197) = ( 0.0000000 0.3204121 -0.0428343), wk = 0.0033113 k( 198) = ( 0.0000000 0.3236753 -0.0337251), wk = 0.0033113 k( 199) = ( 0.0000000 0.3269385 -0.0246158), wk = 0.0033113 k( 200) = ( 0.0000000 0.3302017 -0.0155066), wk = 0.0033113 k( 201) = ( 0.0000000 0.3334649 -0.0063974), wk = 0.0033113 k( 202) = ( 0.0000000 0.3367281 0.0027118), wk = 0.0033113 k( 203) = ( 0.0000000 0.3399913 0.0118210), wk = 0.0033113 k( 204) = ( 0.5000000 0.2551481 0.2250184), wk = 0.0033113 k( 205) = ( 0.5000000 0.2449422 0.2250184), wk = 0.0033113 k( 206) = ( 0.5000000 0.2347363 0.2250184), wk = 0.0033113 k( 207) = ( 0.5000000 0.2245303 0.2250184), wk = 0.0033113 k( 208) = ( 0.5000000 0.2143244 0.2250184), wk = 0.0033113 k( 209) = ( 0.5000000 0.2041185 0.2250184), wk = 0.0033113 k( 210) = ( 0.5000000 0.1939126 0.2250184), wk = 0.0033113 k( 211) = ( 0.5000000 0.1837066 0.2250184), wk = 0.0033113 k( 212) = ( 0.5000000 0.1735007 0.2250184), wk = 0.0033113 k( 213) = ( 0.5000000 0.1632948 0.2250184), wk = 0.0033113 k( 214) = ( 0.5000000 0.1530889 0.2250184), wk = 0.0033113 k( 215) = ( 0.5000000 0.1428829 0.2250184), wk = 0.0033113 k( 216) = ( 0.5000000 0.1326770 0.2250184), wk = 0.0033113 k( 217) = ( 0.5000000 0.1224711 0.2250184), wk = 0.0033113 k( 218) = ( 0.5000000 0.1122652 0.2250184), wk = 0.0033113 k( 219) = ( 0.5000000 0.1020592 0.2250184), wk = 0.0033113 k( 220) = ( 0.5000000 0.0918533 0.2250184), wk = 0.0033113 k( 221) = ( 0.5000000 0.0816474 0.2250184), wk = 0.0033113 k( 222) = ( 0.5000000 0.0714415 0.2250184), wk = 0.0033113 k( 223) = ( 0.5000000 0.0612355 0.2250184), wk = 0.0033113 k( 224) = ( 0.5000000 0.0510296 0.2250184), wk = 0.0033113 k( 225) = ( 0.5000000 0.0408237 0.2250184), wk = 0.0033113 k( 226) = ( 0.5000000 0.0306178 0.2250184), wk = 0.0033113 k( 227) = ( 0.5000000 0.0204118 0.2250184), wk = 0.0033113 k( 228) = ( 0.5000000 0.0102059 0.2250184), wk = 0.0033113 k( 229) = ( 0.5000000 -0.0000000 0.2250184), wk = 0.0033113 k( 230) = ( 0.5000000 -0.0000000 0.2250184), wk = 0.0033113 k( 231) = ( 0.5000000 -0.0000000 0.2147903), wk = 0.0033113 k( 232) = ( 0.5000000 -0.0000000 0.2045622), wk = 0.0033113 k( 233) = ( 0.5000000 -0.0000000 0.1943341), wk = 0.0033113 k( 234) = ( 0.5000000 -0.0000000 0.1841060), wk = 0.0033113 k( 235) = ( 0.5000000 -0.0000000 0.1738779), wk = 0.0033113 k( 236) = ( 0.5000000 -0.0000000 0.1636497), wk = 0.0033113 k( 237) = ( 0.5000000 -0.0000000 0.1534216), wk = 0.0033113 k( 238) = ( 0.5000000 -0.0000000 0.1431935), wk = 0.0033113 k( 239) = ( 0.5000000 -0.0000000 0.1329654), wk = 0.0033113 k( 240) = ( 0.5000000 -0.0000000 0.1227373), wk = 0.0033113 k( 241) = ( 0.5000000 -0.0000000 0.1125092), wk = 0.0033113 k( 242) = ( 0.5000000 -0.0000000 0.1022811), wk = 0.0033113 k( 243) = ( 0.5000000 -0.0000000 0.0920530), wk = 0.0033113 k( 244) = ( 0.5000000 -0.0000000 0.0818249), wk = 0.0033113 k( 245) = ( 0.5000000 -0.0000000 0.0715968), wk = 0.0033113 k( 246) = ( 0.5000000 -0.0000000 0.0613687), wk = 0.0033113 k( 247) = ( 0.5000000 -0.0000000 0.0511405), wk = 0.0033113 k( 248) = ( 0.5000000 -0.0000000 0.0409124), wk = 0.0033113 k( 249) = ( 0.5000000 -0.0000000 0.0306843), wk = 0.0033113 k( 250) = ( 0.5000000 -0.0000000 0.0204562), wk = 0.0033113 k( 251) = ( 0.5000000 -0.0000000 0.0102281), wk = 0.0033113 k( 252) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033113 k( 253) = ( 0.0000000 0.0000000 0.2250184), wk = 0.0033113 k( 254) = ( 0.0102041 -0.0000000 0.2250184), wk = 0.0033113 k( 255) = ( 0.0204082 -0.0000000 0.2250184), wk = 0.0033113 k( 256) = ( 0.0306122 -0.0000000 0.2250184), wk = 0.0033113 k( 257) = ( 0.0408163 -0.0000000 0.2250184), wk = 0.0033113 k( 258) = ( 0.0510204 -0.0000000 0.2250184), wk = 0.0033113 k( 259) = ( 0.0612245 -0.0000000 0.2250184), wk = 0.0033113 k( 260) = ( 0.0714286 -0.0000000 0.2250184), wk = 0.0033113 k( 261) = ( 0.0816327 -0.0000000 0.2250184), wk = 0.0033113 k( 262) = ( 0.0918367 -0.0000000 0.2250184), wk = 0.0033113 k( 263) = ( 0.1020408 -0.0000000 0.2250184), wk = 0.0033113 k( 264) = ( 0.1122449 -0.0000000 0.2250184), wk = 0.0033113 k( 265) = ( 0.1224490 -0.0000000 0.2250184), wk = 0.0033113 k( 266) = ( 0.1326531 -0.0000000 0.2250184), wk = 0.0033113 k( 267) = ( 0.1428571 -0.0000000 0.2250184), wk = 0.0033113 k( 268) = ( 0.1530612 -0.0000000 0.2250184), wk = 0.0033113 k( 269) = ( 0.1632653 -0.0000000 0.2250184), wk = 0.0033113 k( 270) = ( 0.1734694 -0.0000000 0.2250184), wk = 0.0033113 k( 271) = ( 0.1836735 -0.0000000 0.2250184), wk = 0.0033113 k( 272) = ( 0.1938776 -0.0000000 0.2250184), wk = 0.0033113 k( 273) = ( 0.2040816 -0.0000000 0.2250184), wk = 0.0033113 k( 274) = ( 0.2142857 -0.0000000 0.2250184), wk = 0.0033113 k( 275) = ( 0.2244898 -0.0000000 0.2250184), wk = 0.0033113 k( 276) = ( 0.2346939 -0.0000000 0.2250184), wk = 0.0033113 k( 277) = ( 0.2448980 -0.0000000 0.2250184), wk = 0.0033113 k( 278) = ( 0.2551020 -0.0000000 0.2250184), wk = 0.0033113 k( 279) = ( 0.2653061 -0.0000000 0.2250184), wk = 0.0033113 k( 280) = ( 0.2755102 -0.0000000 0.2250184), wk = 0.0033113 k( 281) = ( 0.2857143 -0.0000000 0.2250184), wk = 0.0033113 k( 282) = ( 0.2959184 -0.0000000 0.2250184), wk = 0.0033113 k( 283) = ( 0.3061224 -0.0000000 0.2250184), wk = 0.0033113 k( 284) = ( 0.3163265 -0.0000000 0.2250184), wk = 0.0033113 k( 285) = ( 0.3265306 -0.0000000 0.2250184), wk = 0.0033113 k( 286) = ( 0.3367347 -0.0000000 0.2250184), wk = 0.0033113 k( 287) = ( 0.3469388 -0.0000000 0.2250184), wk = 0.0033113 k( 288) = ( 0.3571429 -0.0000000 0.2250184), wk = 0.0033113 k( 289) = ( 0.3673469 -0.0000000 0.2250184), wk = 0.0033113 k( 290) = ( 0.3775510 -0.0000000 0.2250184), wk = 0.0033113 k( 291) = ( 0.3877551 -0.0000000 0.2250184), wk = 0.0033113 k( 292) = ( 0.3979592 -0.0000000 0.2250184), wk = 0.0033113 k( 293) = ( 0.4081633 -0.0000000 0.2250184), wk = 0.0033113 k( 294) = ( 0.4183674 -0.0000000 0.2250184), wk = 0.0033113 k( 295) = ( 0.4285714 -0.0000000 0.2250184), wk = 0.0033113 k( 296) = ( 0.4387755 -0.0000000 0.2250184), wk = 0.0033113 k( 297) = ( 0.4489796 -0.0000000 0.2250184), wk = 0.0033113 k( 298) = ( 0.4591837 -0.0000000 0.2250184), wk = 0.0033113 k( 299) = ( 0.4693878 -0.0000000 0.2250184), wk = 0.0033113 k( 300) = ( 0.4795918 -0.0000000 0.2250184), wk = 0.0033113 k( 301) = ( 0.4897959 -0.0000000 0.2250184), wk = 0.0033113 k( 302) = ( 0.5000000 -0.0000000 0.2250184), wk = 0.0033113 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 2) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0033113 k( 3) = ( 0.0000000 0.0000000 0.0454545), wk = 0.0033113 k( 4) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0033113 k( 5) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0033113 k( 6) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0033113 k( 7) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0033113 k( 8) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0033113 k( 9) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0033113 k( 10) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0033113 k( 11) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0033113 k( 12) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033113 k( 13) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0033113 k( 14) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0033113 k( 15) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0033113 k( 16) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0033113 k( 17) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0033113 k( 18) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0033113 k( 19) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0033113 k( 20) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0033113 k( 21) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0033113 k( 22) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0033113 k( 23) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033113 k( 24) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033113 k( 25) = ( 0.0000000 0.0171488 0.5081240), wk = 0.0033113 k( 26) = ( 0.0000000 0.0342976 0.5162479), wk = 0.0033113 k( 27) = ( 0.0000000 0.0514464 0.5243719), wk = 0.0033113 k( 28) = ( 0.0000000 0.0685952 0.5324958), wk = 0.0033113 k( 29) = ( 0.0000000 0.0857440 0.5406198), wk = 0.0033113 k( 30) = ( 0.0000000 0.1028928 0.5487437), wk = 0.0033113 k( 31) = ( 0.0000000 0.1200416 0.5568677), wk = 0.0033113 k( 32) = ( 0.0000000 0.1371904 0.5649916), wk = 0.0033113 k( 33) = ( 0.0000000 0.1543392 0.5731156), wk = 0.0033113 k( 34) = ( 0.0000000 0.1714880 0.5812396), wk = 0.0033113 k( 35) = ( 0.0000000 0.1886367 0.5893635), wk = 0.0033113 k( 36) = ( 0.0000000 0.2057855 0.5974875), wk = 0.0033113 k( 37) = ( 0.0000000 0.2229343 0.6056114), wk = 0.0033113 k( 38) = ( 0.0000000 0.2400831 0.6137354), wk = 0.0033113 k( 39) = ( 0.0000000 0.2572319 0.6218593), wk = 0.0033113 k( 40) = ( 0.0000000 0.2743807 0.6299833), wk = 0.0033113 k( 41) = ( 0.0000000 0.2915295 0.6381072), wk = 0.0033113 k( 42) = ( 0.0000000 0.3086783 0.6462312), wk = 0.0033113 k( 43) = ( 0.0000000 0.3258271 0.6543551), wk = 0.0033113 k( 44) = ( 0.0000000 0.3429759 0.6624791), wk = 0.0033113 k( 45) = ( 0.0000000 0.3601247 0.6706031), wk = 0.0033113 k( 46) = ( 0.0000000 0.3772735 0.6787270), wk = 0.0033113 k( 47) = ( 0.0000000 0.3944223 0.6868510), wk = 0.0033113 k( 48) = ( 0.0000000 0.4115711 0.6949749), wk = 0.0033113 k( 49) = ( 0.0000000 0.4287199 0.7030989), wk = 0.0033113 k( 50) = ( 0.0000000 0.4287199 0.7030989), wk = 0.0033113 k( 51) = ( 0.0000000 0.4346599 0.6861740), wk = 0.0033113 k( 52) = ( 0.0000000 0.4405999 0.6692491), wk = 0.0033113 k( 53) = ( 0.0000000 0.4465399 0.6523242), wk = 0.0033113 k( 54) = ( 0.0000000 0.4524799 0.6353993), wk = 0.0033113 k( 55) = ( 0.0000000 0.4584199 0.6184743), wk = 0.0033113 k( 56) = ( 0.0000000 0.4643599 0.6015494), wk = 0.0033113 k( 57) = ( 0.0000000 0.4703000 0.5846245), wk = 0.0033113 k( 58) = ( 0.0000000 0.4762400 0.5676996), wk = 0.0033113 k( 59) = ( 0.0000000 0.4821800 0.5507747), wk = 0.0033113 k( 60) = ( 0.0000000 0.4881200 0.5338498), wk = 0.0033113 k( 61) = ( 0.0000000 0.4940600 0.5169249), wk = 0.0033113 k( 62) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033113 k( 63) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033113 k( 64) = ( 0.0102041 0.5000000 0.5000000), wk = 0.0033113 k( 65) = ( 0.0204082 0.5000000 0.5000000), wk = 0.0033113 k( 66) = ( 0.0306122 0.5000000 0.5000000), wk = 0.0033113 k( 67) = ( 0.0408163 0.5000000 0.5000000), wk = 0.0033113 k( 68) = ( 0.0510204 0.5000000 0.5000000), wk = 0.0033113 k( 69) = ( 0.0612245 0.5000000 0.5000000), wk = 0.0033113 k( 70) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0033113 k( 71) = ( 0.0816327 0.5000000 0.5000000), wk = 0.0033113 k( 72) = ( 0.0918367 0.5000000 0.5000000), wk = 0.0033113 k( 73) = ( 0.1020408 0.5000000 0.5000000), wk = 0.0033113 k( 74) = ( 0.1122449 0.5000000 0.5000000), wk = 0.0033113 k( 75) = ( 0.1224490 0.5000000 0.5000000), wk = 0.0033113 k( 76) = ( 0.1326531 0.5000000 0.5000000), wk = 0.0033113 k( 77) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0033113 k( 78) = ( 0.1530612 0.5000000 0.5000000), wk = 0.0033113 k( 79) = ( 0.1632653 0.5000000 0.5000000), wk = 0.0033113 k( 80) = ( 0.1734694 0.5000000 0.5000000), wk = 0.0033113 k( 81) = ( 0.1836735 0.5000000 0.5000000), wk = 0.0033113 k( 82) = ( 0.1938776 0.5000000 0.5000000), wk = 0.0033113 k( 83) = ( 0.2040816 0.5000000 0.5000000), wk = 0.0033113 k( 84) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0033113 k( 85) = ( 0.2244898 0.5000000 0.5000000), wk = 0.0033113 k( 86) = ( 0.2346939 0.5000000 0.5000000), wk = 0.0033113 k( 87) = ( 0.2448980 0.5000000 0.5000000), wk = 0.0033113 k( 88) = ( 0.2551020 0.5000000 0.5000000), wk = 0.0033113 k( 89) = ( 0.2653061 0.5000000 0.5000000), wk = 0.0033113 k( 90) = ( 0.2755102 0.5000000 0.5000000), wk = 0.0033113 k( 91) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0033113 k( 92) = ( 0.2959184 0.5000000 0.5000000), wk = 0.0033113 k( 93) = ( 0.3061224 0.5000000 0.5000000), wk = 0.0033113 k( 94) = ( 0.3163265 0.5000000 0.5000000), wk = 0.0033113 k( 95) = ( 0.3265306 0.5000000 0.5000000), wk = 0.0033113 k( 96) = ( 0.3367347 0.5000000 0.5000000), wk = 0.0033113 k( 97) = ( 0.3469388 0.5000000 0.5000000), wk = 0.0033113 k( 98) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0033113 k( 99) = ( 0.3673469 0.5000000 0.5000000), wk = 0.0033113 k( 100) = ( 0.3775510 0.5000000 0.5000000), wk = 0.0033113 k( 101) = ( 0.3877551 0.5000000 0.5000000), wk = 0.0033113 k( 102) = ( 0.3979592 0.5000000 0.5000000), wk = 0.0033113 k( 103) = ( 0.4081633 0.5000000 0.5000000), wk = 0.0033113 k( 104) = ( 0.4183674 0.5000000 0.5000000), wk = 0.0033113 k( 105) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0033113 k( 106) = ( 0.4387755 0.5000000 0.5000000), wk = 0.0033113 k( 107) = ( 0.4489796 0.5000000 0.5000000), wk = 0.0033113 k( 108) = ( 0.4591837 0.5000000 0.5000000), wk = 0.0033113 k( 109) = ( 0.4693878 0.5000000 0.5000000), wk = 0.0033113 k( 110) = ( 0.4795918 0.5000000 0.5000000), wk = 0.0033113 k( 111) = ( 0.4897959 0.5000000 0.5000000), wk = 0.0033113 k( 112) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033113 k( 113) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033113 k( 114) = ( 0.5000000 0.5059400 0.4830751), wk = 0.0033113 k( 115) = ( 0.5000000 0.5118800 0.4661502), wk = 0.0033113 k( 116) = ( 0.5000000 0.5178200 0.4492253), wk = 0.0033113 k( 117) = ( 0.5000000 0.5237600 0.4323004), wk = 0.0033113 k( 118) = ( 0.5000000 0.5297001 0.4153755), wk = 0.0033113 k( 119) = ( 0.5000000 0.5356401 0.3984506), wk = 0.0033113 k( 120) = ( 0.5000000 0.5415801 0.3815256), wk = 0.0033113 k( 121) = ( 0.5000000 0.5475201 0.3646007), wk = 0.0033113 k( 122) = ( 0.5000000 0.5534601 0.3476758), wk = 0.0033113 k( 123) = ( 0.5000000 0.5594001 0.3307509), wk = 0.0033113 k( 124) = ( 0.5000000 0.5653401 0.3138260), wk = 0.0033113 k( 125) = ( 0.5000000 0.5712801 0.2969011), wk = 0.0033113 k( 126) = ( 0.5000000 0.5712801 0.2969011), wk = 0.0033113 k( 127) = ( 0.5000000 0.5657970 0.2740626), wk = 0.0033113 k( 128) = ( 0.5000000 0.5603139 0.2512240), wk = 0.0033113 k( 129) = ( 0.5000000 0.5548309 0.2283855), wk = 0.0033113 k( 130) = ( 0.5000000 0.5493478 0.2055469), wk = 0.0033113 k( 131) = ( 0.5000000 0.5438647 0.1827084), wk = 0.0033113 k( 132) = ( 0.5000000 0.5383816 0.1598698), wk = 0.0033113 k( 133) = ( 0.5000000 0.5328985 0.1370313), wk = 0.0033113 k( 134) = ( 0.5000000 0.5274154 0.1141927), wk = 0.0033113 k( 135) = ( 0.5000000 0.5219323 0.0913542), wk = 0.0033113 k( 136) = ( 0.5000000 0.5164493 0.0685156), wk = 0.0033113 k( 137) = ( 0.5000000 0.5109662 0.0456771), wk = 0.0033113 k( 138) = ( 0.5000000 0.5054831 0.0228385), wk = 0.0033113 k( 139) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033113 k( 140) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033113 k( 141) = ( 0.4897959 0.5000000 0.0000000), wk = 0.0033113 k( 142) = ( 0.4795918 0.5000000 0.0000000), wk = 0.0033113 k( 143) = ( 0.4693878 0.5000000 0.0000000), wk = 0.0033113 k( 144) = ( 0.4591837 0.5000000 0.0000000), wk = 0.0033113 k( 145) = ( 0.4489796 0.5000000 0.0000000), wk = 0.0033113 k( 146) = ( 0.4387755 0.5000000 0.0000000), wk = 0.0033113 k( 147) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0033113 k( 148) = ( 0.4183674 0.5000000 0.0000000), wk = 0.0033113 k( 149) = ( 0.4081633 0.5000000 -0.0000000), wk = 0.0033113 k( 150) = ( 0.3979592 0.5000000 -0.0000000), wk = 0.0033113 k( 151) = ( 0.3877551 0.5000000 -0.0000000), wk = 0.0033113 k( 152) = ( 0.3775510 0.5000000 -0.0000000), wk = 0.0033113 k( 153) = ( 0.3673469 0.5000000 -0.0000000), wk = 0.0033113 k( 154) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0033113 k( 155) = ( 0.3469388 0.5000000 -0.0000000), wk = 0.0033113 k( 156) = ( 0.3367347 0.5000000 -0.0000000), wk = 0.0033113 k( 157) = ( 0.3265306 0.5000000 -0.0000000), wk = 0.0033113 k( 158) = ( 0.3163265 0.5000000 -0.0000000), wk = 0.0033113 k( 159) = ( 0.3061224 0.5000000 -0.0000000), wk = 0.0033113 k( 160) = ( 0.2959184 0.5000000 -0.0000000), wk = 0.0033113 k( 161) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0033113 k( 162) = ( 0.2755102 0.5000000 0.0000000), wk = 0.0033113 k( 163) = ( 0.2653061 0.5000000 0.0000000), wk = 0.0033113 k( 164) = ( 0.2551020 0.5000000 0.0000000), wk = 0.0033113 k( 165) = ( 0.2448980 0.5000000 0.0000000), wk = 0.0033113 k( 166) = ( 0.2346939 0.5000000 0.0000000), wk = 0.0033113 k( 167) = ( 0.2244898 0.5000000 0.0000000), wk = 0.0033113 k( 168) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0033113 k( 169) = ( 0.2040816 0.5000000 0.0000000), wk = 0.0033113 k( 170) = ( 0.1938776 0.5000000 0.0000000), wk = 0.0033113 k( 171) = ( 0.1836735 0.5000000 0.0000000), wk = 0.0033113 k( 172) = ( 0.1734694 0.5000000 0.0000000), wk = 0.0033113 k( 173) = ( 0.1632653 0.5000000 0.0000000), wk = 0.0033113 k( 174) = ( 0.1530612 0.5000000 0.0000000), wk = 0.0033113 k( 175) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0033113 k( 176) = ( 0.1326531 0.5000000 0.0000000), wk = 0.0033113 k( 177) = ( 0.1224490 0.5000000 0.0000000), wk = 0.0033113 k( 178) = ( 0.1122449 0.5000000 0.0000000), wk = 0.0033113 k( 179) = ( 0.1020408 0.5000000 0.0000000), wk = 0.0033113 k( 180) = ( 0.0918367 0.5000000 0.0000000), wk = 0.0033113 k( 181) = ( 0.0816327 0.5000000 0.0000000), wk = 0.0033113 k( 182) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0033113 k( 183) = ( 0.0612245 0.5000000 0.0000000), wk = 0.0033113 k( 184) = ( 0.0510204 0.5000000 0.0000000), wk = 0.0033113 k( 185) = ( 0.0408163 0.5000000 0.0000000), wk = 0.0033113 k( 186) = ( 0.0306122 0.5000000 0.0000000), wk = 0.0033113 k( 187) = ( 0.0204082 0.5000000 0.0000000), wk = 0.0033113 k( 188) = ( 0.0102041 0.5000000 0.0000000), wk = 0.0033113 k( 189) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033113 k( 190) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033113 k( 191) = ( 0.0000000 0.5054831 0.0228385), wk = 0.0033113 k( 192) = ( 0.0000000 0.5109662 0.0456771), wk = 0.0033113 k( 193) = ( 0.0000000 0.5164493 0.0685156), wk = 0.0033113 k( 194) = ( 0.0000000 0.5219323 0.0913542), wk = 0.0033113 k( 195) = ( 0.0000000 0.5274154 0.1141927), wk = 0.0033113 k( 196) = ( 0.0000000 0.5328985 0.1370313), wk = 0.0033113 k( 197) = ( 0.0000000 0.5383816 0.1598698), wk = 0.0033113 k( 198) = ( 0.0000000 0.5438647 0.1827084), wk = 0.0033113 k( 199) = ( 0.0000000 0.5493478 0.2055469), wk = 0.0033113 k( 200) = ( 0.0000000 0.5548309 0.2283855), wk = 0.0033113 k( 201) = ( 0.0000000 0.5603139 0.2512240), wk = 0.0033113 k( 202) = ( 0.0000000 0.5657970 0.2740626), wk = 0.0033113 k( 203) = ( 0.0000000 0.5712801 0.2969011), wk = 0.0033113 k( 204) = ( 0.5000000 0.4287199 0.7030989), wk = 0.0033113 k( 205) = ( 0.5000000 0.4115711 0.6949749), wk = 0.0033113 k( 206) = ( 0.5000000 0.3944223 0.6868510), wk = 0.0033113 k( 207) = ( 0.5000000 0.3772735 0.6787270), wk = 0.0033113 k( 208) = ( 0.5000000 0.3601247 0.6706031), wk = 0.0033113 k( 209) = ( 0.5000000 0.3429759 0.6624791), wk = 0.0033113 k( 210) = ( 0.5000000 0.3258271 0.6543551), wk = 0.0033113 k( 211) = ( 0.5000000 0.3086783 0.6462312), wk = 0.0033113 k( 212) = ( 0.5000000 0.2915295 0.6381072), wk = 0.0033113 k( 213) = ( 0.5000000 0.2743807 0.6299833), wk = 0.0033113 k( 214) = ( 0.5000000 0.2572319 0.6218593), wk = 0.0033113 k( 215) = ( 0.5000000 0.2400831 0.6137354), wk = 0.0033113 k( 216) = ( 0.5000000 0.2229343 0.6056114), wk = 0.0033113 k( 217) = ( 0.5000000 0.2057855 0.5974875), wk = 0.0033113 k( 218) = ( 0.5000000 0.1886367 0.5893635), wk = 0.0033113 k( 219) = ( 0.5000000 0.1714880 0.5812396), wk = 0.0033113 k( 220) = ( 0.5000000 0.1543392 0.5731156), wk = 0.0033113 k( 221) = ( 0.5000000 0.1371904 0.5649916), wk = 0.0033113 k( 222) = ( 0.5000000 0.1200416 0.5568677), wk = 0.0033113 k( 223) = ( 0.5000000 0.1028928 0.5487437), wk = 0.0033113 k( 224) = ( 0.5000000 0.0857440 0.5406198), wk = 0.0033113 k( 225) = ( 0.5000000 0.0685952 0.5324958), wk = 0.0033113 k( 226) = ( 0.5000000 0.0514464 0.5243719), wk = 0.0033113 k( 227) = ( 0.5000000 0.0342976 0.5162479), wk = 0.0033113 k( 228) = ( 0.5000000 0.0171488 0.5081240), wk = 0.0033113 k( 229) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033113 k( 230) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033113 k( 231) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0033113 k( 232) = ( 0.5000000 0.0000000 0.4545454), wk = 0.0033113 k( 233) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0033113 k( 234) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0033113 k( 235) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0033113 k( 236) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0033113 k( 237) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0033113 k( 238) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0033113 k( 239) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0033113 k( 240) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0033113 k( 241) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033113 k( 242) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0033113 k( 243) = ( 0.5000000 0.0000000 0.2045454), wk = 0.0033113 k( 244) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0033113 k( 245) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0033113 k( 246) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0033113 k( 247) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0033113 k( 248) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0033113 k( 249) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0033113 k( 250) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0033113 k( 251) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0033113 k( 252) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033113 k( 253) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033113 k( 254) = ( 0.0102041 -0.0000000 0.5000000), wk = 0.0033113 k( 255) = ( 0.0204082 -0.0000000 0.5000000), wk = 0.0033113 k( 256) = ( 0.0306122 -0.0000000 0.5000000), wk = 0.0033113 k( 257) = ( 0.0408163 -0.0000000 0.5000000), wk = 0.0033113 k( 258) = ( 0.0510204 -0.0000000 0.5000000), wk = 0.0033113 k( 259) = ( 0.0612245 0.0000000 0.5000000), wk = 0.0033113 k( 260) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0033113 k( 261) = ( 0.0816327 -0.0000000 0.5000000), wk = 0.0033113 k( 262) = ( 0.0918367 0.0000000 0.5000000), wk = 0.0033113 k( 263) = ( 0.1020408 -0.0000000 0.5000000), wk = 0.0033113 k( 264) = ( 0.1122449 -0.0000000 0.5000000), wk = 0.0033113 k( 265) = ( 0.1224490 0.0000000 0.5000000), wk = 0.0033113 k( 266) = ( 0.1326531 0.0000000 0.5000000), wk = 0.0033113 k( 267) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0033113 k( 268) = ( 0.1530612 -0.0000000 0.5000000), wk = 0.0033113 k( 269) = ( 0.1632653 0.0000000 0.5000000), wk = 0.0033113 k( 270) = ( 0.1734694 0.0000000 0.5000000), wk = 0.0033113 k( 271) = ( 0.1836735 -0.0000000 0.5000000), wk = 0.0033113 k( 272) = ( 0.1938776 0.0000000 0.5000000), wk = 0.0033113 k( 273) = ( 0.2040816 -0.0000000 0.5000000), wk = 0.0033113 k( 274) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0033113 k( 275) = ( 0.2244898 -0.0000000 0.5000000), wk = 0.0033113 k( 276) = ( 0.2346939 -0.0000000 0.5000000), wk = 0.0033113 k( 277) = ( 0.2448980 0.0000000 0.5000000), wk = 0.0033113 k( 278) = ( 0.2551020 -0.0000000 0.5000000), wk = 0.0033113 k( 279) = ( 0.2653061 0.0000000 0.5000000), wk = 0.0033113 k( 280) = ( 0.2755102 -0.0000000 0.5000000), wk = 0.0033113 k( 281) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0033113 k( 282) = ( 0.2959184 0.0000000 0.5000000), wk = 0.0033113 k( 283) = ( 0.3061224 0.0000000 0.5000000), wk = 0.0033113 k( 284) = ( 0.3163265 0.0000000 0.5000000), wk = 0.0033113 k( 285) = ( 0.3265306 0.0000000 0.5000000), wk = 0.0033113 k( 286) = ( 0.3367347 0.0000000 0.5000000), wk = 0.0033113 k( 287) = ( 0.3469388 0.0000000 0.5000000), wk = 0.0033113 k( 288) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0033113 k( 289) = ( 0.3673469 -0.0000000 0.5000000), wk = 0.0033113 k( 290) = ( 0.3775510 0.0000000 0.5000000), wk = 0.0033113 k( 291) = ( 0.3877551 0.0000000 0.5000000), wk = 0.0033113 k( 292) = ( 0.3979592 -0.0000000 0.5000000), wk = 0.0033113 k( 293) = ( 0.4081633 0.0000000 0.5000000), wk = 0.0033113 k( 294) = ( 0.4183674 -0.0000000 0.5000000), wk = 0.0033113 k( 295) = ( 0.4285714 -0.0000000 0.5000000), wk = 0.0033113 k( 296) = ( 0.4387755 0.0000000 0.5000000), wk = 0.0033113 k( 297) = ( 0.4489796 0.0000000 0.5000000), wk = 0.0033113 k( 298) = ( 0.4591837 -0.0000000 0.5000000), wk = 0.0033113 k( 299) = ( 0.4693878 -0.0000000 0.5000000), wk = 0.0033113 k( 300) = ( 0.4795918 -0.0000000 0.5000000), wk = 0.0033113 k( 301) = ( 0.4897959 0.0000000 0.5000000), wk = 0.0033113 k( 302) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033113 Dense grid: 84573 G-vectors FFT dimensions: ( 36, 60, 90) Smooth grid: 37399 G-vectors FFT dimensions: ( 27, 45, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.38 Mb ( 264, 94) NL pseudopotentials 0.51 Mb ( 132, 254) Each V/rho on FFT grid 0.10 Mb ( 6480) Each G-vector array 0.02 Mb ( 2349) G-vector shells 0.02 Mb ( 2302) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.51 Mb ( 264, 376) Each subspace H/S matrix 0.13 Mb ( 94, 94) Each matrix 0.73 Mb ( 254, 2, 94) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Al2Zn3O6.save/charge-density.dat Starting wfc are 118 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 5.5 secs Computing kpt #: 3 total cpu time spent up to now is 6.9 secs Computing kpt #: 4 total cpu time spent up to now is 8.3 secs Computing kpt #: 5 total cpu time spent up to now is 9.6 secs Computing kpt #: 6 total cpu time spent up to now is 11.0 secs Computing kpt #: 7 total cpu time spent up to now is 12.4 secs Computing kpt #: 8 total cpu time spent up to now is 13.7 secs Computing kpt #: 9 total cpu time spent up to now is 15.1 secs Computing kpt #: 10 total cpu time spent up to now is 16.3 secs Computing kpt #: 11 total cpu time spent up to now is 17.5 secs Computing kpt #: 12 total cpu time spent up to now is 18.8 secs Computing kpt #: 13 total cpu time spent up to now is 20.0 secs Computing kpt #: 14 total cpu time spent up to now is 21.3 secs Computing kpt #: 15 total cpu time spent up to now is 22.5 secs Computing kpt #: 16 total cpu time spent up to now is 23.7 secs Computing kpt #: 17 total cpu time spent up to now is 25.4 secs Computing kpt #: 18 total cpu time spent up to now is 26.6 secs Computing kpt #: 19 total cpu time spent up to now is 27.8 secs Computing kpt #: 20 total cpu time spent up to now is 29.0 secs Computing kpt #: 21 total cpu time spent up to now is 30.2 secs Computing kpt #: 22 total cpu time spent up to now is 31.4 secs Computing kpt #: 23 total cpu time spent up to now is 32.5 secs Computing kpt #: 24 total cpu time spent up to now is 33.7 secs Computing kpt #: 25 total cpu time spent up to now is 34.8 secs Computing kpt #: 26 total cpu time spent up to now is 36.0 secs Computing kpt #: 27 total cpu time spent up to now is 37.2 secs Computing kpt #: 28 total cpu time spent up to now is 38.4 secs Computing kpt #: 29 total cpu time spent up to now is 39.6 secs Computing kpt #: 30 total cpu time spent up to now is 40.8 secs Computing kpt #: 31 total cpu time spent up to now is 41.9 secs Computing kpt #: 32 total cpu time spent up to now is 43.0 secs Computing kpt #: 33 total cpu time spent up to now is 44.2 secs Computing kpt #: 34 total cpu time spent up to now is 45.4 secs Computing kpt #: 35 total cpu time spent up to now is 46.6 secs Computing kpt #: 36 total cpu time spent up to now is 47.8 secs Computing kpt #: 37 total cpu time spent up to now is 49.1 secs Computing kpt #: 38 total cpu time spent up to now is 50.2 secs Computing kpt #: 39 total cpu time spent up to now is 51.5 secs Computing kpt #: 40 total cpu time spent up to now is 52.7 secs Computing kpt #: 41 total cpu time spent up to now is 53.9 secs Computing kpt #: 42 total cpu time spent up to now is 55.1 secs Computing kpt #: 43 total cpu time spent up to now is 56.3 secs Computing kpt #: 44 total cpu time spent up to now is 57.7 secs Computing kpt #: 45 total cpu time spent up to now is 58.9 secs Computing kpt #: 46 total cpu time spent up to now is 60.3 secs Computing kpt #: 47 total cpu time spent up to now is 61.6 secs Computing kpt #: 48 total cpu time spent up to now is 63.0 secs Computing kpt #: 49 total cpu time spent up to now is 64.4 secs Computing kpt #: 50 total cpu time spent up to now is 65.8 secs Computing kpt #: 51 total cpu time spent up to now is 67.2 secs Computing kpt #: 52 total cpu time spent up to now is 68.6 secs Computing kpt #: 53 total cpu time spent up to now is 70.0 secs Computing kpt #: 54 total cpu time spent up to now is 71.3 secs Computing kpt #: 55 total cpu time spent up to now is 72.8 secs Computing kpt #: 56 total cpu time spent up to now is 74.2 secs Computing kpt #: 57 total cpu time spent up to now is 75.6 secs Computing kpt #: 58 total cpu time spent up to now is 77.0 secs Computing kpt #: 59 total cpu time spent up to now is 78.4 secs Computing kpt #: 60 total cpu time spent up to now is 79.8 secs Computing kpt #: 61 total cpu time spent up to now is 81.2 secs Computing kpt #: 62 total cpu time spent up to now is 82.6 secs Computing kpt #: 63 total cpu time spent up to now is 84.0 secs Computing kpt #: 64 total cpu time spent up to now is 85.4 secs Computing kpt #: 65 total cpu time spent up to now is 86.8 secs Computing kpt #: 66 total cpu time spent up to now is 88.2 secs Computing kpt #: 67 total cpu time spent up to now is 89.6 secs Computing kpt #: 68 total cpu time spent up to now is 91.0 secs Computing kpt #: 69 total cpu time spent up to now is 92.4 secs Computing kpt #: 70 total cpu time spent up to now is 93.8 secs Computing kpt #: 71 total cpu time spent up to now is 95.2 secs Computing kpt #: 72 total cpu time spent up to now is 96.6 secs Computing kpt #: 73 total cpu time spent up to now is 98.0 secs Computing kpt #: 74 total cpu time spent up to now is 99.4 secs Computing kpt #: 75 total cpu time spent up to now is 100.8 secs Computing kpt #: 76 total cpu time spent up to now is 102.3 secs Computing kpt #: 77 total cpu time spent up to now is 103.7 secs Computing kpt #: 78 total cpu time spent up to now is 105.1 secs Computing kpt #: 79 total cpu time spent up to now is 106.5 secs Computing kpt #: 80 total cpu time spent up to now is 107.9 secs Computing kpt #: 81 total cpu time spent up to now is 109.3 secs Computing kpt #: 82 total cpu time spent up to now is 110.7 secs Computing kpt #: 83 total cpu time spent up to now is 112.1 secs Computing kpt #: 84 total cpu time spent up to now is 113.5 secs Computing kpt #: 85 total cpu time spent up to now is 114.9 secs Computing kpt #: 86 total cpu time spent up to now is 116.3 secs Computing kpt #: 87 total cpu time spent up to now is 117.7 secs Computing kpt #: 88 total cpu time spent up to now is 119.0 secs Computing kpt #: 89 total cpu time spent up to now is 120.3 secs Computing kpt #: 90 total cpu time spent up to now is 121.8 secs Computing kpt #: 91 total cpu time spent up to now is 123.2 secs Computing kpt #: 92 total cpu time spent up to now is 124.6 secs Computing kpt #: 93 total cpu time spent up to now is 125.9 secs Computing kpt #: 94 total cpu time spent up to now is 127.1 secs Computing kpt #: 95 total cpu time spent up to now is 128.4 secs Computing kpt #: 96 total cpu time spent up to now is 129.6 secs Computing kpt #: 97 total cpu time spent up to now is 130.8 secs Computing kpt #: 98 total cpu time spent up to now is 132.0 secs Computing kpt #: 99 total cpu time spent up to now is 133.1 secs Computing kpt #: 100 total cpu time spent up to now is 134.3 secs Computing kpt #: 101 total cpu time spent up to now is 135.5 secs Computing kpt #: 102 total cpu time spent up to now is 136.6 secs Computing kpt #: 103 total cpu time spent up to now is 137.8 secs Computing kpt #: 104 total cpu time spent up to now is 139.0 secs Computing kpt #: 105 total cpu time spent up to now is 140.2 secs Computing kpt #: 106 total cpu time spent up to now is 141.4 secs Computing kpt #: 107 total cpu time spent up to now is 142.6 secs Computing kpt #: 108 total cpu time spent up to now is 143.8 secs Computing kpt #: 109 total cpu time spent up to now is 145.0 secs Computing kpt #: 110 total cpu time spent up to now is 146.2 secs Computing kpt #: 111 total cpu time spent up to now is 147.3 secs Computing kpt #: 112 total cpu time spent up to now is 148.5 secs Computing kpt #: 113 total cpu time spent up to now is 149.7 secs Computing kpt #: 114 total cpu time spent up to now is 150.9 secs Computing kpt #: 115 total cpu time spent up to now is 152.0 secs Computing kpt #: 116 total cpu time spent up to now is 153.2 secs Computing kpt #: 117 total cpu time spent up to now is 154.4 secs Computing kpt #: 118 total cpu time spent up to now is 155.6 secs Computing kpt #: 119 total cpu time spent up to now is 156.8 secs Computing kpt #: 120 total cpu time spent up to now is 158.0 secs Computing kpt #: 121 total cpu time spent up to now is 159.1 secs Computing kpt #: 122 total cpu time spent up to now is 160.3 secs Computing kpt #: 123 total cpu time spent up to now is 161.5 secs Computing kpt #: 124 total cpu time spent up to now is 162.6 secs Computing kpt #: 125 total cpu time spent up to now is 163.8 secs Computing kpt #: 126 total cpu time spent up to now is 165.0 secs Computing kpt #: 127 total cpu time spent up to now is 166.2 secs Computing kpt #: 128 total cpu time spent up to now is 167.4 secs Computing kpt #: 129 total cpu time spent up to now is 168.6 secs Computing kpt #: 130 total cpu time spent up to now is 169.7 secs Computing kpt #: 131 total cpu time spent up to now is 170.9 secs Computing kpt #: 132 total cpu time spent up to now is 172.1 secs Computing kpt #: 133 total cpu time spent up to now is 173.3 secs Computing kpt #: 134 total cpu time spent up to now is 174.5 secs Computing kpt #: 135 total cpu time spent up to now is 175.6 secs Computing kpt #: 136 total cpu time spent up to now is 176.8 secs Computing kpt #: 137 total cpu time spent up to now is 178.0 secs Computing kpt #: 138 total cpu time spent up to now is 179.2 secs Computing kpt #: 139 total cpu time spent up to now is 180.3 secs Computing kpt #: 140 total cpu time spent up to now is 181.5 secs Computing kpt #: 141 total cpu time spent up to now is 182.7 secs Computing kpt #: 142 total cpu time spent up to now is 183.8 secs Computing kpt #: 143 total cpu time spent up to now is 185.0 secs Computing kpt #: 144 total cpu time spent up to now is 186.2 secs Computing kpt #: 145 total cpu time spent up to now is 187.4 secs Computing kpt #: 146 total cpu time spent up to now is 188.6 secs Computing kpt #: 147 total cpu time spent up to now is 189.8 secs Computing kpt #: 148 total cpu time spent up to now is 191.0 secs Computing kpt #: 149 total cpu time spent up to now is 192.3 secs Computing kpt #: 150 total cpu time spent up to now is 193.5 secs Computing kpt #: 151 total cpu time spent up to now is 194.7 secs Computing kpt #: 152 total cpu time spent up to now is 196.0 secs Computing kpt #: 153 total cpu time spent up to now is 197.2 secs Computing kpt #: 154 total cpu time spent up to now is 198.5 secs Computing kpt #: 155 total cpu time spent up to now is 199.8 secs Computing kpt #: 156 total cpu time spent up to now is 201.2 secs Computing kpt #: 157 total cpu time spent up to now is 202.6 secs Computing kpt #: 158 total cpu time spent up to now is 204.0 secs Computing kpt #: 159 total cpu time spent up to now is 205.4 secs Computing kpt #: 160 total cpu time spent up to now is 206.7 secs Computing kpt #: 161 total cpu time spent up to now is 208.1 secs Computing kpt #: 162 total cpu time spent up to now is 209.6 secs Computing kpt #: 163 total cpu time spent up to now is 211.0 secs Computing kpt #: 164 total cpu time spent up to now is 212.5 secs Computing kpt #: 165 total cpu time spent up to now is 213.9 secs Computing kpt #: 166 total cpu time spent up to now is 215.3 secs Computing kpt #: 167 total cpu time spent up to now is 216.8 secs Computing kpt #: 168 total cpu time spent up to now is 218.2 secs Computing kpt #: 169 total cpu time spent up to now is 219.6 secs Computing kpt #: 170 total cpu time spent up to now is 221.0 secs Computing kpt #: 171 total cpu time spent up to now is 222.4 secs Computing kpt #: 172 total cpu time spent up to now is 223.8 secs Computing kpt #: 173 total cpu time spent up to now is 225.2 secs Computing kpt #: 174 total cpu time spent up to now is 226.6 secs Computing kpt #: 175 total cpu time spent up to now is 228.0 secs Computing kpt #: 176 total cpu time spent up to now is 229.4 secs Computing kpt #: 177 total cpu time spent up to now is 230.8 secs Computing kpt #: 178 total cpu time spent up to now is 232.1 secs Computing kpt #: 179 total cpu time spent up to now is 233.5 secs Computing kpt #: 180 total cpu time spent up to now is 234.9 secs Computing kpt #: 181 total cpu time spent up to now is 236.3 secs Computing kpt #: 182 total cpu time spent up to now is 237.7 secs Computing kpt #: 183 total cpu time spent up to now is 239.1 secs Computing kpt #: 184 total cpu time spent up to now is 240.5 secs Computing kpt #: 185 total cpu time spent up to now is 241.9 secs Computing kpt #: 186 total cpu time spent up to now is 243.3 secs Computing kpt #: 187 total cpu time spent up to now is 244.5 secs Computing kpt #: 188 total cpu time spent up to now is 245.9 secs Computing kpt #: 189 total cpu time spent up to now is 247.2 secs Computing kpt #: 190 total cpu time spent up to now is 248.5 secs Computing kpt #: 191 total cpu time spent up to now is 249.9 secs Computing kpt #: 192 total cpu time spent up to now is 251.2 secs Computing kpt #: 193 total cpu time spent up to now is 252.6 secs Computing kpt #: 194 total cpu time spent up to now is 254.0 secs Computing kpt #: 195 total cpu time spent up to now is 255.4 secs Computing kpt #: 196 total cpu time spent up to now is 256.7 secs Computing kpt #: 197 total cpu time spent up to now is 258.1 secs Computing kpt #: 198 total cpu time spent up to now is 259.4 secs Computing kpt #: 199 total cpu time spent up to now is 260.9 secs Computing kpt #: 200 total cpu time spent up to now is 262.3 secs Computing kpt #: 201 total cpu time spent up to now is 263.7 secs Computing kpt #: 202 total cpu time spent up to now is 265.1 secs Computing kpt #: 203 total cpu time spent up to now is 266.5 secs Computing kpt #: 204 total cpu time spent up to now is 267.7 secs Computing kpt #: 205 total cpu time spent up to now is 268.9 secs Computing kpt #: 206 total cpu time spent up to now is 270.1 secs Computing kpt #: 207 total cpu time spent up to now is 271.5 secs Computing kpt #: 208 total cpu time spent up to now is 273.0 secs Computing kpt #: 209 total cpu time spent up to now is 274.2 secs Computing kpt #: 210 total cpu time spent up to now is 275.4 secs Computing kpt #: 211 total cpu time spent up to now is 276.5 secs Computing kpt #: 212 total cpu time spent up to now is 277.7 secs Computing kpt #: 213 total cpu time spent up to now is 278.9 secs Computing kpt #: 214 total cpu time spent up to now is 280.1 secs Computing kpt #: 215 total cpu time spent up to now is 281.3 secs Computing kpt #: 216 total cpu time spent up to now is 282.5 secs Computing kpt #: 217 total cpu time spent up to now is 283.7 secs Computing kpt #: 218 total cpu time spent up to now is 284.9 secs Computing kpt #: 219 total cpu time spent up to now is 286.1 secs Computing kpt #: 220 total cpu time spent up to now is 290.8 secs Computing kpt #: 221 total cpu time spent up to now is 291.9 secs Computing kpt #: 222 total cpu time spent up to now is 293.1 secs Computing kpt #: 223 total cpu time spent up to now is 294.3 secs Computing kpt #: 224 total cpu time spent up to now is 295.6 secs Computing kpt #: 225 total cpu time spent up to now is 296.8 secs Computing kpt #: 226 total cpu time spent up to now is 298.0 secs Computing kpt #: 227 total cpu time spent up to now is 299.2 secs Computing kpt #: 228 total cpu time spent up to now is 300.4 secs Computing kpt #: 229 total cpu time spent up to now is 301.6 secs Computing kpt #: 230 total cpu time spent up to now is 302.8 secs Computing kpt #: 231 total cpu time spent up to now is 304.0 secs Computing kpt #: 232 total cpu time spent up to now is 305.2 secs Computing kpt #: 233 total cpu time spent up to now is 306.4 secs Computing kpt #: 234 total cpu time spent up to now is 307.6 secs Computing kpt #: 235 total cpu time spent up to now is 308.8 secs Computing kpt #: 236 total cpu time spent up to now is 310.0 secs Computing kpt #: 237 total cpu time spent up to now is 311.2 secs Computing kpt #: 238 total cpu time spent up to now is 312.5 secs Computing kpt #: 239 total cpu time spent up to now is 313.7 secs Computing kpt #: 240 total cpu time spent up to now is 315.0 secs Computing kpt #: 241 total cpu time spent up to now is 316.2 secs Computing kpt #: 242 total cpu time spent up to now is 317.4 secs Computing kpt #: 243 total cpu time spent up to now is 318.6 secs Computing kpt #: 244 total cpu time spent up to now is 319.8 secs Computing kpt #: 245 total cpu time spent up to now is 321.0 secs Computing kpt #: 246 total cpu time spent up to now is 322.3 secs Computing kpt #: 247 total cpu time spent up to now is 323.5 secs Computing kpt #: 248 total cpu time spent up to now is 324.8 secs Computing kpt #: 249 total cpu time spent up to now is 326.0 secs Computing kpt #: 250 total cpu time spent up to now is 327.2 secs Computing kpt #: 251 total cpu time spent up to now is 328.4 secs Computing kpt #: 252 total cpu time spent up to now is 329.6 secs Computing kpt #: 253 total cpu time spent up to now is 330.8 secs Computing kpt #: 254 total cpu time spent up to now is 331.9 secs Computing kpt #: 255 total cpu time spent up to now is 333.1 secs Computing kpt #: 256 total cpu time spent up to now is 334.3 secs Computing kpt #: 257 total cpu time spent up to now is 335.6 secs Computing kpt #: 258 total cpu time spent up to now is 336.7 secs Computing kpt #: 259 total cpu time spent up to now is 337.9 secs Computing kpt #: 260 total cpu time spent up to now is 339.1 secs Computing kpt #: 261 total cpu time spent up to now is 340.3 secs Computing kpt #: 262 total cpu time spent up to now is 341.6 secs Computing kpt #: 263 total cpu time spent up to now is 342.8 secs Computing kpt #: 264 total cpu time spent up to now is 344.0 secs Computing kpt #: 265 total cpu time spent up to now is 345.2 secs Computing kpt #: 266 total cpu time spent up to now is 346.4 secs Computing kpt #: 267 total cpu time spent up to now is 347.7 secs Computing kpt #: 268 total cpu time spent up to now is 348.9 secs Computing kpt #: 269 total cpu time spent up to now is 350.2 secs Computing kpt #: 270 total cpu time spent up to now is 351.5 secs Computing kpt #: 271 total cpu time spent up to now is 352.8 secs Computing kpt #: 272 total cpu time spent up to now is 354.1 secs Computing kpt #: 273 total cpu time spent up to now is 355.4 secs Computing kpt #: 274 total cpu time spent up to now is 356.8 secs Computing kpt #: 275 total cpu time spent up to now is 358.1 secs Computing kpt #: 276 total cpu time spent up to now is 359.5 secs Computing kpt #: 277 total cpu time spent up to now is 361.0 secs Computing kpt #: 278 total cpu time spent up to now is 362.4 secs Computing kpt #: 279 total cpu time spent up to now is 363.9 secs Computing kpt #: 280 total cpu time spent up to now is 365.3 secs Computing kpt #: 281 total cpu time spent up to now is 366.8 secs Computing kpt #: 282 total cpu time spent up to now is 368.2 secs Computing kpt #: 283 total cpu time spent up to now is 369.5 secs Computing kpt #: 284 total cpu time spent up to now is 370.9 secs Computing kpt #: 285 total cpu time spent up to now is 372.2 secs Computing kpt #: 286 total cpu time spent up to now is 373.6 secs Computing kpt #: 287 total cpu time spent up to now is 374.8 secs Computing kpt #: 288 total cpu time spent up to now is 376.1 secs Computing kpt #: 289 total cpu time spent up to now is 377.4 secs Computing kpt #: 290 total cpu time spent up to now is 378.6 secs Computing kpt #: 291 total cpu time spent up to now is 379.8 secs Computing kpt #: 292 total cpu time spent up to now is 381.0 secs Computing kpt #: 293 total cpu time spent up to now is 382.3 secs Computing kpt #: 294 total cpu time spent up to now is 383.5 secs Computing kpt #: 295 total cpu time spent up to now is 384.7 secs Computing kpt #: 296 total cpu time spent up to now is 386.0 secs Computing kpt #: 297 total cpu time spent up to now is 387.2 secs Computing kpt #: 298 total cpu time spent up to now is 388.5 secs Computing kpt #: 299 total cpu time spent up to now is 389.6 secs Computing kpt #: 300 total cpu time spent up to now is 390.8 secs Computing kpt #: 301 total cpu time spent up to now is 392.0 secs Computing kpt #: 302 total cpu time spent up to now is 393.2 secs ethr = 1.28E-08, avg # of iterations = 19.3 total cpu time spent up to now is 393.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4659 PWs) bands (ev): -12.3499 -12.3499 -11.5405 -11.5405 -11.3820 -11.3820 -10.9358 -10.9358 -10.5176 -10.5176 -10.3446 -10.3446 0.0111 0.0111 0.3523 0.3523 0.5172 0.5172 0.6249 0.6249 0.6704 0.6704 0.8874 0.8874 0.9589 0.9589 1.1372 1.1372 1.2259 1.2259 1.3242 1.3242 1.3980 1.3980 1.6055 1.6055 1.6715 1.6715 1.7240 1.7240 1.8132 1.8132 1.9872 1.9872 2.1424 2.1424 2.2255 2.2255 2.4519 2.4519 2.6745 2.6745 3.0035 3.0035 3.4532 3.4532 3.6611 3.6611 4.1430 4.1430 4.3953 4.3953 4.5633 4.5633 4.8157 4.8157 5.1183 5.1183 5.1294 5.1294 5.7185 5.7185 5.7632 5.7632 5.9329 5.9329 6.1995 6.1995 7.9943 7.9943 11.1747 11.1747 12.2685 12.2685 12.8663 12.8663 13.3692 13.3692 13.8208 13.8208 14.8723 14.8723 15.7742 15.7742 k = 0.0000 0.0000 0.0102 ( 4658 PWs) bands (ev): -12.3495 -12.3495 -11.5427 -11.5426 -11.3805 -11.3804 -10.9356 -10.9354 -10.5175 -10.5175 -10.3447 -10.3447 0.0103 0.0114 0.3526 0.3528 0.5157 0.5187 0.6228 0.6270 0.6677 0.6736 0.8838 0.8907 0.9578 0.9599 1.1352 1.1376 1.2220 1.2291 1.3206 1.3269 1.3968 1.4023 1.6052 1.6058 1.6687 1.6734 1.7214 1.7265 1.8066 1.8194 1.9809 1.9932 2.1410 2.1436 2.2247 2.2268 2.4488 2.4534 2.6727 2.6737 3.0065 3.0072 3.4481 3.4556 3.6604 3.6606 4.1448 4.1491 4.3959 4.3966 4.5587 4.5628 4.8143 4.8171 5.1175 5.1187 5.1293 5.1306 5.7185 5.7185 5.7621 5.7626 5.9286 5.9286 6.1998 6.1998 7.9996 7.9997 11.1673 11.1676 12.2734 12.2740 12.8672 12.8681 13.3696 13.3697 13.8215 13.8217 14.8674 14.8699 15.7658 15.7697 k = 0.0000 0.0000 0.0205 ( 4657 PWs) bands (ev): -12.3485 -12.3485 -11.5489 -11.5488 -11.3764 -11.3761 -10.9347 -10.9344 -10.5173 -10.5173 -10.3450 -10.3448 0.0090 0.0111 0.3537 0.3540 0.5144 0.5205 0.6207 0.6288 0.6657 0.6771 0.8803 0.8937 0.9566 0.9606 1.1319 1.1364 1.2177 1.2315 1.3164 1.3287 1.3984 1.4094 1.6051 1.6063 1.6652 1.6745 1.7189 1.7286 1.8001 1.8250 1.9747 1.9990 2.1397 2.1447 2.2246 2.2286 2.4443 2.4532 2.6692 2.6706 3.0156 3.0170 3.4409 3.4555 3.6585 3.6589 4.1545 4.1627 4.3983 4.3997 4.5491 4.5571 4.8132 4.8186 5.1156 5.1180 5.1309 5.1334 5.7186 5.7186 5.7593 5.7601 5.9160 5.9161 6.2005 6.2005 8.0156 8.0157 11.1459 11.1465 12.2885 12.2897 12.8710 12.8727 13.3709 13.3712 13.8238 13.8242 14.8556 14.8605 15.7486 15.7543 k = 0.0000 0.0000 0.0307 ( 4661 PWs) bands (ev): -12.3467 -12.3467 -11.5584 -11.5583 -11.3701 -11.3698 -10.9332 -10.9328 -10.5169 -10.5168 -10.3454 -10.3452 0.0072 0.0103 0.3555 0.3558 0.5131 0.5225 0.6184 0.6305 0.6644 0.6809 0.8768 0.8961 0.9557 0.9608 1.1275 1.1334 1.2132 1.2330 1.3117 1.3299 1.4024 1.4187 1.6051 1.6068 1.6611 1.6748 1.7165 1.7300 1.7938 1.8299 1.9685 2.0045 2.1384 2.1456 2.2252 2.2308 2.4385 2.4506 2.6649 2.6658 3.0296 3.0316 3.4332 3.4538 3.6554 3.6560 4.1714 4.1827 4.4025 4.4046 4.5351 4.5465 4.8127 4.8201 5.1120 5.1153 5.1349 5.1382 5.7185 5.7187 5.7545 5.7555 5.8960 5.8961 6.2017 6.2017 8.0416 8.0419 11.1119 11.1127 12.3124 12.3143 12.8774 12.8799 13.3731 13.3735 13.8279 13.8286 14.8376 14.8446 15.7262 15.7326 k = 0.0000 0.0000 0.0409 ( 4655 PWs) bands (ev): -12.3443 -12.3443 -11.5706 -11.5704 -11.3624 -11.3620 -10.9311 -10.9307 -10.5163 -10.5162 -10.3460 -10.3457 0.0050 0.0089 0.3581 0.3582 0.5119 0.5247 0.6160 0.6319 0.6639 0.6850 0.8738 0.8978 0.9550 0.9607 1.1221 1.1287 1.2087 1.2337 1.3070 1.3309 1.4081 1.4296 1.6052 1.6075 1.6563 1.6745 1.7143 1.7305 1.7883 1.8340 1.9624 2.0095 2.1373 2.1463 2.2265 2.2334 2.4313 2.4455 2.6601 2.6610 3.0468 3.0493 3.4270 3.4524 3.6512 3.6521 4.1942 4.2077 4.4084 4.4112 4.5173 4.5316 4.8127 4.8216 5.1068 5.1106 5.1408 5.1446 5.7180 5.7184 5.7472 5.7479 5.8700 5.8705 6.2034 6.2034 8.0771 8.0774 11.0667 11.0678 12.3435 12.3460 12.8863 12.8897 13.3759 13.3766 13.8340 13.8348 14.8144 14.8232 15.6998 15.7065 k = 0.0000 0.0000 0.0511 ( 4660 PWs) bands (ev): -12.3412 -12.3412 -11.5846 -11.5844 -11.3540 -11.3536 -10.9285 -10.9279 -10.5155 -10.5155 -10.3467 -10.3463 0.0024 0.0071 0.3611 0.3613 0.5107 0.5273 0.6136 0.6329 0.6643 0.6892 0.8711 0.8985 0.9549 0.9599 1.1160 1.1226 1.2046 1.2335 1.3025 1.3318 1.4148 1.4414 1.6053 1.6083 1.6513 1.6734 1.7124 1.7297 1.7841 1.8373 1.9567 2.0141 2.1363 2.1468 2.2284 2.2362 2.4226 2.4376 2.6542 2.6580 3.0654 3.0679 3.4246 3.4531 3.6461 3.6472 4.2213 4.2360 4.4156 4.4193 4.4965 4.5132 4.8136 4.8232 5.1001 5.1044 5.1479 5.1521 5.7155 5.7163 5.7369 5.7372 5.8408 5.8423 6.2055 6.2055 8.1212 8.1216 11.0123 11.0136 12.3798 12.3831 12.8975 12.9017 13.3792 13.3802 13.8424 13.8433 14.7871 14.7974 15.6692 15.6760 k = 0.0000 0.0000 0.0614 ( 4668 PWs) bands (ev): -12.3375 -12.3375 -11.5999 -11.5997 -11.3454 -11.3449 -10.9254 -10.9248 -10.5147 -10.5146 -10.3475 -10.3470 -0.0005 0.0048 0.3643 0.3651 0.5095 0.5302 0.6109 0.6338 0.6654 0.6935 0.8689 0.8983 0.9553 0.9586 1.1095 1.1152 1.2006 1.2326 1.2985 1.3327 1.4221 1.4536 1.6055 1.6091 1.6462 1.6716 1.7107 1.7276 1.7814 1.8397 1.9513 2.0181 2.1356 2.1469 2.2309 2.2393 2.4124 2.4272 2.6486 2.6561 3.0840 3.0859 3.4282 3.4581 3.6403 3.6416 4.2507 4.2656 4.4238 4.4288 4.4743 4.4926 4.8153 4.8252 5.0921 5.0970 5.1553 5.1599 5.7043 5.7045 5.7275 5.7279 5.8126 5.8155 6.2079 6.2080 8.1729 8.1733 10.9504 10.9518 12.4199 12.4238 12.9107 12.9157 13.3827 13.3840 13.8534 13.8544 14.7569 14.7684 15.6342 15.6411 k = 0.0000 0.0000 0.0716 ( 4664 PWs) bands (ev): -12.3332 -12.3332 -11.6162 -11.6160 -11.3368 -11.3363 -10.9219 -10.9212 -10.5136 -10.5136 -10.3484 -10.3479 -0.0036 0.0022 0.3677 0.3694 0.5083 0.5334 0.6082 0.6347 0.6672 0.6979 0.8674 0.8973 0.9564 0.9567 1.1029 1.1070 1.1970 1.2307 1.2951 1.3337 1.4297 1.4657 1.6058 1.6098 1.6414 1.6691 1.7093 1.7245 1.7800 1.8412 1.9465 2.0216 2.1352 2.1469 2.2340 2.2426 2.4008 2.4148 2.6431 2.6548 3.1018 3.1020 3.4393 3.4688 3.6338 3.6353 4.2795 4.2937 4.4311 4.4392 4.4546 4.4725 4.8179 4.8277 5.0832 5.0884 5.1626 5.1675 5.6745 5.6771 5.7240 5.7249 5.7896 5.7939 6.2108 6.2108 8.2313 8.2318 10.8823 10.8839 12.4621 12.4668 12.9256 12.9314 13.3861 13.3877 13.8674 13.8684 14.7251 14.7373 15.5946 15.6015 k = 0.0000 0.0000 0.0818 ( 4662 PWs) bands (ev): -12.3284 -12.3284 -11.6329 -11.6327 -11.3285 -11.3280 -10.9180 -10.9172 -10.5125 -10.5124 -10.3495 -10.3489 -0.0069 -0.0007 0.3713 0.3739 0.5072 0.5371 0.6053 0.6357 0.6694 0.7023 0.8666 0.8957 0.9542 0.9579 1.0962 1.0983 1.1934 1.2280 1.2925 1.3347 1.4374 1.4773 1.6060 1.6101 1.6375 1.6661 1.7082 1.7210 1.7798 1.8417 1.9424 2.0246 2.1350 2.1467 2.2375 2.2459 2.3880 2.4009 2.6374 2.6532 3.1164 3.1187 3.4582 3.4859 3.6269 3.6286 4.3025 4.3154 4.4284 4.4486 4.4511 4.4591 4.8216 4.8309 5.0735 5.0790 5.1690 5.1742 5.6329 5.6371 5.7218 5.7243 5.7730 5.7777 6.2140 6.2140 8.2954 8.2960 10.8092 10.8110 12.5055 12.5109 12.9419 12.9483 13.3889 13.3909 13.8849 13.8859 14.6926 14.7052 15.5503 15.5572 k = 0.0000 0.0000 0.0921 ( 4666 PWs) bands (ev): -12.3232 -12.3231 -11.6499 -11.6497 -11.3208 -11.3202 -10.9138 -10.9130 -10.5113 -10.5112 -10.3506 -10.3500 -0.0103 -0.0039 0.3748 0.3786 0.5063 0.5410 0.6023 0.6369 0.6717 0.7066 0.8664 0.8936 0.9511 0.9597 1.0894 1.0898 1.1898 1.2243 1.2908 1.3355 1.4449 1.4879 1.6060 1.6096 1.6349 1.6625 1.7075 1.7176 1.7803 1.8413 1.9390 2.0270 2.1350 2.1464 2.2414 2.2492 2.3743 2.3861 2.6311 2.6506 3.1301 3.1353 3.4843 3.5092 3.6197 3.6216 4.3106 4.3234 4.4271 4.4495 4.4607 4.4667 4.8263 4.8351 5.0631 5.0688 5.1739 5.1793 5.5846 5.5898 5.7193 5.7238 5.7611 5.7650 6.2174 6.2174 8.3645 8.3652 10.7322 10.7341 12.5489 12.5550 12.9592 12.9662 13.3908 13.3932 13.9063 13.9072 14.6603 14.6731 15.5012 15.5082 k = 0.0000 0.0000 0.1023 ( 4664 PWs) bands (ev): -12.3175 -12.3175 -11.6669 -11.6668 -11.3135 -11.3130 -10.9095 -10.9086 -10.5099 -10.5098 -10.3518 -10.3512 -0.0136 -0.0072 0.3783 0.3833 0.5056 0.5452 0.5994 0.6385 0.6741 0.7108 0.8669 0.8914 0.9474 0.9616 1.0805 1.0839 1.1862 1.2197 1.2898 1.3360 1.4524 1.4974 1.6060 1.6080 1.6341 1.6586 1.7072 1.7148 1.7813 1.8401 1.9366 2.0289 2.1354 2.1460 2.2455 2.2523 2.3600 2.3708 2.6238 2.6462 3.1446 3.1526 3.5158 3.5372 3.6124 3.6146 4.2997 4.3142 4.4417 4.4593 4.4727 4.4810 4.8323 4.8403 5.0523 5.0582 5.1762 5.1819 5.5331 5.5392 5.7156 5.7229 5.7522 5.7542 6.2210 6.2211 8.4377 8.4385 10.6521 10.6540 12.5918 12.5985 12.9772 12.9846 13.3914 13.3942 13.9320 13.9328 14.6290 14.6416 15.4477 15.4547 k = 0.0000 0.0000 0.1125 ( 4660 PWs) bands (ev): -12.3116 -12.3115 -11.6837 -11.6835 -11.3069 -11.3064 -10.9050 -10.9041 -10.5085 -10.5084 -10.3531 -10.3524 -0.0170 -0.0106 0.3816 0.3879 0.5051 0.5494 0.5967 0.6406 0.6763 0.7148 0.8680 0.8893 0.9433 0.9634 1.0721 1.0786 1.1824 1.2143 1.2897 1.3363 1.4598 1.5056 1.6056 1.6057 1.6347 1.6546 1.7075 1.7128 1.7825 1.8380 1.9351 2.0302 2.1361 2.1457 2.2497 2.2551 2.3455 2.3555 2.6153 2.6399 3.1612 3.1719 3.5506 3.5679 3.6054 3.6083 4.2781 4.2941 4.4650 4.4755 4.4858 4.4982 4.8397 4.8469 5.0413 5.0473 5.1747 5.1808 5.4816 5.4884 5.7103 5.7211 5.7450 5.7458 6.2247 6.2248 8.5143 8.5153 10.5694 10.5714 12.6335 12.6408 12.9954 13.0032 13.3904 13.3935 13.9622 13.9629 14.5995 14.6116 15.3900 15.3970 k = 0.0000 0.0000 0.1227 ( 4660 PWs) bands (ev): -12.3054 -12.3054 -11.7000 -11.6999 -11.3010 -11.3005 -10.9005 -10.8996 -10.5071 -10.5070 -10.3544 -10.3537 -0.0202 -0.0140 0.3847 0.3921 0.5051 0.5533 0.5945 0.6430 0.6781 0.7184 0.8696 0.8874 0.9389 0.9647 1.0642 1.0739 1.1785 1.2081 1.2903 1.3362 1.4670 1.5124 1.6027 1.6051 1.6363 1.6506 1.7083 1.7115 1.7838 1.8352 1.9345 2.0309 2.1369 2.1453 2.2540 2.2574 2.3312 2.3403 2.6058 2.6315 3.1808 3.1939 3.5848 3.5920 3.6002 3.6099 4.2536 4.2703 4.4882 4.4916 4.5011 4.5176 4.8484 4.8549 5.0303 5.0363 5.1678 5.1743 5.4332 5.4407 5.7034 5.7173 5.7379 5.7413 6.2285 6.2285 8.5938 8.5948 10.4848 10.4869 12.6737 12.6813 13.0137 13.0216 13.3876 13.3910 13.9971 13.9976 14.5721 14.5835 15.3286 15.3357 k = 0.0000 0.0000 0.1330 ( 4663 PWs) bands (ev): -12.2992 -12.2991 -11.7157 -11.7156 -11.2957 -11.2952 -10.8961 -10.8952 -10.5056 -10.5055 -10.3557 -10.3550 -0.0232 -0.0173 0.3875 0.3958 0.5056 0.5563 0.5934 0.6458 0.6797 0.7216 0.8716 0.8858 0.9344 0.9655 1.0572 1.0699 1.1745 1.2015 1.2916 1.3357 1.4741 1.5178 1.6000 1.6041 1.6381 1.6469 1.7098 1.7112 1.7851 1.8319 1.9351 2.0309 2.1380 2.1449 2.2580 2.2587 2.3176 2.3256 2.5955 2.6214 3.2041 3.2191 3.5898 3.5905 3.6233 3.6358 4.2310 4.2475 4.5054 4.5060 4.5203 4.5368 4.8582 4.8644 5.0194 5.0253 5.1532 5.1607 5.3913 5.3991 5.6954 5.7108 5.7334 5.7381 6.2321 6.2323 8.6754 8.6766 10.3988 10.4009 12.7118 12.7196 13.0317 13.0395 13.3828 13.3864 14.0366 14.0369 14.5475 14.5577 15.2641 15.2712 k = 0.0000 0.0000 0.1432 ( 4664 PWs) bands (ev): -12.2930 -12.2929 -11.7305 -11.7304 -11.2910 -11.2906 -10.8918 -10.8910 -10.5042 -10.5041 -10.3569 -10.3563 -0.0261 -0.0206 0.3902 0.3990 0.5066 0.5579 0.5941 0.6487 0.6810 0.7243 0.8738 0.8847 0.9302 0.9653 1.0514 1.0666 1.1704 1.1944 1.2933 1.3347 1.4812 1.5220 1.5975 1.6028 1.6396 1.6436 1.7115 1.7119 1.7864 1.8281 1.9367 2.0301 2.1393 2.1446 2.2584 2.2618 2.3059 2.3116 2.5850 2.6102 3.2309 3.2475 3.5840 3.5847 3.6536 3.6621 4.2134 4.2291 4.5187 4.5189 4.5393 4.5533 4.8687 4.8751 5.0089 5.0146 5.1297 5.1389 5.3586 5.3663 5.6868 5.7023 5.7310 5.7357 6.2357 6.2358 8.7587 8.7599 10.3119 10.3140 12.7476 12.7555 13.0492 13.0569 13.3762 13.3799 14.0804 14.0805 14.5259 14.5346 15.1970 15.2041 k = 0.0000 0.0000 0.1534 ( 4669 PWs) bands (ev): -12.2869 -12.2869 -11.7443 -11.7442 -11.2870 -11.2866 -10.8879 -10.8871 -10.5028 -10.5027 -10.3582 -10.3576 -0.0286 -0.0236 0.3925 0.4014 0.5082 0.5576 0.5967 0.6514 0.6822 0.7262 0.8760 0.8840 0.9264 0.9640 1.0471 1.0639 1.1664 1.1872 1.2954 1.3333 1.4882 1.5251 1.5954 1.6013 1.6406 1.6408 1.7125 1.7144 1.7876 1.8241 1.9395 2.0285 2.1407 2.1445 2.2556 2.2649 2.2971 2.2987 2.5746 2.5984 3.2610 3.2788 3.5783 3.5790 3.6773 3.6816 4.2042 4.2182 4.5304 4.5304 4.5539 4.5653 4.8785 4.8860 4.9989 5.0041 5.0988 5.1104 5.3356 5.3428 5.6781 5.6930 5.7295 5.7338 6.2391 6.2392 8.8430 8.8443 10.2246 10.2267 12.7807 12.7884 13.0661 13.0734 13.3678 13.3715 14.1279 14.1282 14.5076 14.5145 15.1279 15.1351 k = 0.0000 0.0000 0.1636 ( 4675 PWs) bands (ev): -12.2812 -12.2812 -11.7568 -11.7567 -11.2835 -11.2832 -10.8842 -10.8836 -10.5015 -10.5014 -10.3593 -10.3588 -0.0309 -0.0264 0.3946 0.4033 0.5104 0.5557 0.6010 0.6535 0.6838 0.7272 0.8781 0.8837 0.9234 0.9614 1.0444 1.0617 1.1624 1.1800 1.2978 1.3316 1.4950 1.5273 1.5938 1.5996 1.6385 1.6410 1.7140 1.7172 1.7889 1.8200 1.9434 2.0258 2.1423 2.1445 2.2499 2.2663 2.2879 2.2919 2.5651 2.5867 3.2940 3.3126 3.5732 3.5737 3.6912 3.6912 4.2056 4.2174 4.5404 4.5408 4.5628 4.5720 4.8859 4.8955 4.9897 4.9939 5.0655 5.0799 5.3204 5.3269 5.6699 5.6836 5.7284 5.7322 6.2422 6.2423 8.9276 8.9290 10.1376 10.1396 12.8107 12.8180 13.0823 13.0890 13.3581 13.3617 14.1783 14.1793 14.4932 14.4977 15.0575 15.0647 k = 0.0000 0.0000 0.1739 ( 4679 PWs) bands (ev): -12.2760 -12.2760 -11.7678 -11.7678 -11.2806 -11.2803 -10.8810 -10.8805 -10.5004 -10.5003 -10.3603 -10.3599 -0.0328 -0.0290 0.3965 0.4044 0.5132 0.5528 0.6065 0.6543 0.6864 0.7272 0.8799 0.8837 0.9217 0.9576 1.0433 1.0599 1.1587 1.1731 1.3005 1.3295 1.5015 1.5288 1.5926 1.5978 1.6367 1.6407 1.7158 1.7199 1.7902 1.8159 1.9485 2.0221 2.1439 2.1446 2.2427 2.2635 2.2819 2.2895 2.5567 2.5755 3.3292 3.3482 3.5687 3.5691 3.6896 3.6937 4.2186 4.2280 4.5478 4.5491 4.5656 4.5732 4.8878 4.8999 4.9813 4.9839 5.0373 5.0535 5.3104 5.3160 5.6624 5.6746 5.7277 5.7308 6.2449 6.2450 9.0116 9.0130 10.0517 10.0537 12.8372 12.8438 13.0975 13.1035 13.3474 13.3507 14.2305 14.2324 14.4831 14.4847 14.9865 14.9939 k = 0.0000 0.0000 0.1841 ( 4678 PWs) bands (ev): -12.2715 -12.2714 -11.7772 -11.7771 -11.2783 -11.2781 -10.8783 -10.8778 -10.4994 -10.4993 -10.3612 -10.3608 -0.0343 -0.0312 0.3983 0.4051 0.5164 0.5492 0.6126 0.6535 0.6900 0.7261 0.8813 0.8838 0.9212 0.9528 1.0436 1.0584 1.1555 1.1667 1.3034 1.3271 1.5077 1.5295 1.5918 1.5962 1.6355 1.6400 1.7179 1.7222 1.7917 1.8119 1.9546 2.0171 2.1449 2.1454 2.2356 2.2559 2.2813 2.2885 2.5499 2.5654 3.3659 3.3848 3.5651 3.5652 3.6776 3.6852 4.2422 4.2493 4.5491 4.5512 4.5655 4.5716 4.8825 4.8950 4.9743 4.9750 5.0207 5.0363 5.3036 5.3081 5.6561 5.6664 5.7271 5.7296 6.2472 6.2473 9.0935 9.0949 9.9684 9.9702 12.8599 12.8656 13.1117 13.1166 13.3365 13.3394 14.2822 14.2857 14.4767 14.4787 14.9160 14.9234 k = 0.0000 0.0000 0.1943 ( 4676 PWs) bands (ev): -12.2677 -12.2677 -11.7847 -11.7847 -11.2765 -11.2763 -10.8761 -10.8758 -10.4985 -10.4984 -10.3619 -10.3616 -0.0354 -0.0331 0.3998 0.4052 0.5201 0.5452 0.6191 0.6512 0.6947 0.7238 0.8824 0.8841 0.9221 0.9475 1.0449 1.0569 1.1530 1.1612 1.3064 1.3245 1.5133 1.5296 1.5913 1.5947 1.6347 1.6389 1.7200 1.7239 1.7933 1.8083 1.9618 2.0110 2.1454 2.1465 2.2301 2.2472 2.2826 2.2881 2.5448 2.5568 3.4029 3.4211 3.5622 3.5624 3.6576 3.6676 4.2733 4.2786 4.5386 4.5400 4.5692 4.5727 4.8717 4.8816 4.9689 4.9691 5.0158 5.0284 5.2988 5.3023 5.6511 5.6593 5.7267 5.7286 6.2491 6.2492 9.1709 9.1722 9.8899 9.8916 12.8783 12.8828 13.1242 13.1280 13.3262 13.3285 14.3292 14.3348 14.4765 14.4828 14.8473 14.8547 k = 0.0000 0.0000 0.2046 ( 4683 PWs) bands (ev): -12.2650 -12.2649 -11.7902 -11.7902 -11.2753 -11.2751 -10.8745 -10.8743 -10.4979 -10.4978 -10.3624 -10.3622 -0.0361 -0.0345 0.4012 0.4049 0.5240 0.5410 0.6255 0.6476 0.7000 0.7204 0.8831 0.8842 0.9242 0.9420 1.0469 1.0553 1.1513 1.1566 1.3095 1.3217 1.5181 1.5290 1.5911 1.5934 1.6344 1.6376 1.7219 1.7249 1.7950 1.8049 1.9698 2.0037 2.1460 2.1472 2.2269 2.2393 2.2842 2.2878 2.5417 2.5498 3.4386 3.4547 3.5603 3.5607 3.6336 3.6443 4.3076 4.3114 4.5189 4.5202 4.5735 4.5754 4.8603 4.8665 4.9651 4.9653 5.0175 5.0262 5.2956 5.2980 5.6479 5.6535 5.7265 5.7277 6.2505 6.2505 9.2393 9.2405 9.8209 9.8223 12.8919 12.8951 13.1344 13.1371 13.3175 13.3191 14.3645 14.3712 14.4901 14.4994 14.7832 14.7903 k = 0.0000 0.0000 0.2148 ( 4685 PWs) bands (ev): -12.2632 -12.2632 -11.7936 -11.7935 -11.2745 -11.2744 -10.8735 -10.8734 -10.4975 -10.4975 -10.3627 -10.3626 -0.0364 -0.0356 0.4024 0.4043 0.5281 0.5367 0.6318 0.6430 0.7056 0.7161 0.8837 0.8842 0.9275 0.9366 1.0491 1.0535 1.1507 1.1533 1.3126 1.3188 1.5222 1.5276 1.5912 1.5923 1.6346 1.6363 1.7235 1.7252 1.7970 1.8019 1.9783 1.9956 2.1466 2.1474 2.2263 2.2328 2.2855 2.2874 2.5406 2.5447 3.4693 3.4803 3.5598 3.5602 3.6122 3.6204 4.3381 4.3403 4.4977 4.4988 4.5765 4.5774 4.8526 4.8555 4.9629 4.9631 5.0212 5.0256 5.2939 5.2951 5.6465 5.6493 5.7265 5.7271 6.2513 6.2513 9.2901 9.2908 9.7702 9.7710 12.9006 12.9023 13.1415 13.1428 13.3117 13.3126 14.3840 14.3884 14.5178 14.5252 14.7311 14.7364 k = 0.0000 0.0000 0.2250 ( 4682 PWs) bands (ev): -12.2626 -12.2626 -11.7947 -11.7947 -11.2742 -11.2742 -10.8731 -10.8731 -10.4974 -10.4974 -10.3628 -10.3628 -0.0362 -0.0362 0.4035 0.4035 0.5323 0.5323 0.6377 0.6377 0.7111 0.7111 0.8841 0.8841 0.9317 0.9317 1.0514 1.0514 1.1514 1.1514 1.3157 1.3157 1.5254 1.5254 1.5916 1.5916 1.6353 1.6353 1.7247 1.7247 1.7993 1.7993 1.9871 1.9871 2.1471 2.1471 2.2284 2.2284 2.2866 2.2866 2.5416 2.5416 3.4866 3.4866 3.5604 3.5604 3.6056 3.6056 4.3523 4.3523 4.4879 4.4879 4.5778 4.5778 4.8508 4.8508 4.9622 4.9622 5.0242 5.0242 5.2937 5.2937 5.6470 5.6470 5.7267 5.7267 6.2516 6.2516 9.3099 9.3099 9.7510 9.7510 12.9041 12.9041 13.1444 13.1444 13.3099 13.3099 14.3912 14.3912 14.5374 14.5374 14.7102 14.7102 k = 0.0000 0.0000 0.2250 ( 4682 PWs) bands (ev): -12.2626 -12.2626 -11.7947 -11.7947 -11.2742 -11.2742 -10.8731 -10.8731 -10.4974 -10.4974 -10.3628 -10.3628 -0.0362 -0.0362 0.4035 0.4035 0.5323 0.5323 0.6377 0.6377 0.7111 0.7111 0.8841 0.8841 0.9317 0.9317 1.0514 1.0514 1.1514 1.1514 1.3157 1.3157 1.5254 1.5254 1.5916 1.5916 1.6353 1.6353 1.7247 1.7247 1.7993 1.7993 1.9871 1.9871 2.1471 2.1471 2.2284 2.2284 2.2866 2.2866 2.5416 2.5416 3.4866 3.4866 3.5604 3.5604 3.6056 3.6056 4.3523 4.3523 4.4879 4.4879 4.5778 4.5778 4.8508 4.8508 4.9622 4.9622 5.0242 5.0242 5.2937 5.2937 5.6470 5.6470 5.7267 5.7267 6.2516 6.2516 9.3099 9.3099 9.7510 9.7510 12.9041 12.9041 13.1444 13.1444 13.3099 13.3099 14.3912 14.3912 14.5374 14.5374 14.7102 14.7102 k = 0.0000 0.0102 0.2250 ( 4687 PWs) bands (ev): -12.2624 -12.2624 -11.7945 -11.7945 -11.2747 -11.2747 -10.8733 -10.8732 -10.4973 -10.4973 -10.3629 -10.3629 -0.0369 -0.0354 0.4032 0.4035 0.5310 0.5324 0.6325 0.6414 0.7070 0.7176 0.8783 0.8881 0.9280 0.9353 1.0424 1.0618 1.1513 1.1515 1.3148 1.3159 1.5217 1.5250 1.5877 1.5959 1.6342 1.6352 1.7227 1.7259 1.7839 1.8150 1.9695 2.0086 2.1461 2.1490 2.2233 2.2381 2.2861 2.2879 2.5413 2.5425 3.4858 3.4876 3.5604 3.5606 3.6058 3.6063 4.3464 4.3490 4.4857 4.4881 4.5775 4.5783 4.8526 4.8537 4.9622 4.9623 5.0211 5.0251 5.2941 5.2961 5.6463 5.6480 5.7261 5.7263 6.2515 6.2516 9.3114 9.3117 9.7531 9.7534 12.8979 12.8982 13.1336 13.1352 13.3206 13.3229 14.3890 14.3918 14.5358 14.5395 14.7116 14.7136 k = 0.0000 0.0204 0.2250 ( 4689 PWs) bands (ev): -12.2616 -12.2615 -11.7939 -11.7938 -11.2761 -11.2760 -10.8737 -10.8736 -10.4970 -10.4970 -10.3631 -10.3631 -0.0374 -0.0344 0.4026 0.4032 0.5285 0.5312 0.6268 0.6430 0.7059 0.7258 0.8708 0.8905 0.9248 0.9376 1.0361 1.0729 1.1514 1.1516 1.3132 1.3153 1.5149 1.5197 1.5841 1.6003 1.6327 1.6338 1.7195 1.7267 1.7723 1.8269 1.9601 2.0304 2.1457 2.1521 2.2242 2.2520 2.2865 2.2902 2.5414 2.5439 3.4851 3.4887 3.5606 3.5610 3.6072 3.6082 4.3318 4.3366 4.4814 4.4857 4.5775 4.5791 4.8587 4.8610 4.9623 4.9624 5.0162 5.0240 5.2972 5.3009 5.6460 5.6494 5.7245 5.7249 6.2515 6.2516 9.3161 9.3167 9.7598 9.7603 12.8795 12.8801 13.1102 13.1124 13.3486 13.3525 14.3855 14.3908 14.5351 14.5417 14.7179 14.7215 k = 0.0000 0.0306 0.2250 ( 4691 PWs) bands (ev): -12.2602 -12.2601 -11.7928 -11.7928 -11.2784 -11.2783 -10.8743 -10.8743 -10.4966 -10.4966 -10.3635 -10.3635 -0.0378 -0.0332 0.4017 0.4025 0.5247 0.5287 0.6210 0.6424 0.7079 0.7348 0.8618 0.8916 0.9225 0.9374 1.0334 1.0837 1.1516 1.1521 1.3107 1.3141 1.5053 1.5091 1.5809 1.6042 1.6312 1.6320 1.7149 1.7273 1.7660 1.8318 1.9614 2.0490 2.1459 2.1561 2.2328 2.2692 2.2877 2.2938 2.5422 2.5459 3.4845 3.4898 3.5611 3.5617 3.6096 3.6111 4.3101 4.3164 4.4746 4.4802 4.5776 4.5800 4.8684 4.8718 4.9625 4.9626 5.0103 5.0213 5.3025 5.3076 5.6461 5.6512 5.7218 5.7224 6.2513 6.2516 9.3241 9.3251 9.7709 9.7716 12.8491 12.8500 13.0833 13.0857 13.3843 13.3892 14.3811 14.3881 14.5353 14.5436 14.7292 14.7339 k = 0.0000 0.0408 0.2250 ( 4684 PWs) bands (ev): -12.2583 -12.2581 -11.7914 -11.7914 -11.2815 -11.2815 -10.8753 -10.8752 -10.4960 -10.4959 -10.3640 -10.3640 -0.0379 -0.0319 0.4005 0.4016 0.5199 0.5250 0.6156 0.6400 0.7124 0.7444 0.8519 0.8915 0.9208 0.9343 1.0347 1.0932 1.1518 1.1539 1.3075 1.3125 1.4933 1.4935 1.5780 1.6074 1.6280 1.6330 1.7098 1.7278 1.7647 1.8304 1.9721 2.0624 2.1467 2.1602 2.2506 2.2869 2.2900 2.3015 2.5435 2.5486 3.4840 3.4910 3.5617 3.5625 3.6132 3.6152 4.2827 4.2901 4.4646 4.4710 4.5780 4.5811 4.8805 4.8847 4.9629 4.9629 5.0043 5.0178 5.3096 5.3155 5.6465 5.6533 5.7182 5.7191 6.2512 6.2515 9.3354 9.3366 9.7864 9.7874 12.8076 12.8087 13.0572 13.0596 13.4223 13.4281 14.3759 14.3838 14.5364 14.5450 14.7453 14.7506 k = 0.0000 0.0510 0.2250 ( 4688 PWs) bands (ev): -12.2558 -12.2557 -11.7896 -11.7896 -11.2856 -11.2855 -10.8765 -10.8763 -10.4952 -10.4952 -10.3646 -10.3646 -0.0379 -0.0305 0.3990 0.4003 0.5141 0.5200 0.6108 0.6368 0.7181 0.7541 0.8415 0.8900 0.9197 0.9288 1.0394 1.1002 1.1521 1.1578 1.3034 1.3104 1.4741 1.4793 1.5755 1.6097 1.6246 1.6355 1.7051 1.7280 1.7670 1.8261 1.9880 2.0706 2.1480 2.1638 2.2762 2.2942 2.2965 2.3215 2.5453 2.5518 3.4834 3.4920 3.5626 3.5636 3.6180 3.6204 4.2509 4.2589 4.4515 4.4584 4.5786 4.5825 4.8931 4.8977 4.9636 4.9636 4.9998 5.0148 5.3178 5.3241 5.6471 5.6556 5.7135 5.7148 6.2510 6.2514 9.3499 9.3515 9.8063 9.8075 12.7568 12.7580 13.0325 13.0348 13.4603 13.4669 14.3700 14.3782 14.5380 14.5457 14.7661 14.7715 k = 0.0000 0.0612 0.2250 ( 4688 PWs) bands (ev): -12.2529 -12.2527 -11.7874 -11.7874 -11.2904 -11.2904 -10.8779 -10.8777 -10.4943 -10.4943 -10.3654 -10.3654 -0.0377 -0.0289 0.3973 0.3987 0.5074 0.5140 0.6067 0.6333 0.7241 0.7637 0.8311 0.8866 0.9190 0.9224 1.0464 1.1039 1.1527 1.1641 1.2985 1.3082 1.4527 1.4636 1.5733 1.6116 1.6215 1.6386 1.7014 1.7281 1.7718 1.8216 2.0055 2.0749 2.1500 2.1670 2.2931 2.3022 2.3146 2.3490 2.5479 2.5560 3.4826 3.4928 3.5636 3.5648 3.6239 3.6269 4.2158 4.2243 4.4354 4.4425 4.5793 4.5839 4.9041 4.9077 4.9647 4.9653 4.9986 5.0140 5.3265 5.3328 5.6479 5.6581 5.7080 5.7096 6.2508 6.2513 9.3678 9.3695 9.8304 9.8319 12.6985 12.6998 13.0087 13.0109 13.4967 13.5041 14.3636 14.3714 14.5399 14.5458 14.7912 14.7965 k = 0.0000 0.0714 0.2250 ( 4688 PWs) bands (ev): -12.2495 -12.2493 -11.7849 -11.7848 -11.2960 -11.2959 -10.8796 -10.8794 -10.4933 -10.4933 -10.3663 -10.3663 -0.0373 -0.0271 0.3952 0.3968 0.4999 0.5071 0.6032 0.6300 0.7295 0.7727 0.8214 0.8808 0.9168 0.9186 1.0543 1.1043 1.1539 1.1726 1.2927 1.3060 1.4309 1.4469 1.5715 1.6134 1.6190 1.6415 1.6990 1.7280 1.7786 1.8181 2.0224 2.0768 2.1529 2.1701 2.2985 2.3079 2.3514 2.3797 2.5512 2.5611 3.4816 3.4931 3.5649 3.5662 3.6311 3.6345 4.1783 4.1871 4.4165 4.4238 4.5802 4.5854 4.9112 4.9117 4.9663 4.9685 5.0029 5.0173 5.3351 5.3411 5.6487 5.6605 5.7016 5.7037 6.2506 6.2511 9.3889 9.3909 9.8586 9.8604 12.6343 12.6357 12.9851 12.9873 13.5309 13.5391 14.3566 14.3638 14.5418 14.5456 14.8205 14.8255 k = 0.0000 0.0816 0.2250 ( 4688 PWs) bands (ev): -12.2456 -12.2454 -11.7820 -11.7820 -11.3022 -11.3022 -10.8815 -10.8813 -10.4923 -10.4922 -10.3673 -10.3673 -0.0366 -0.0252 0.3928 0.3945 0.4918 0.4995 0.6003 0.6270 0.7332 0.7811 0.8131 0.8724 0.9127 0.9185 1.0619 1.1020 1.1559 1.1822 1.2860 1.3042 1.4103 1.4300 1.5701 1.6151 1.6173 1.6436 1.6979 1.7278 1.7869 1.8161 2.0377 2.0773 2.1571 2.1733 2.3036 2.3138 2.3912 2.4121 2.5556 2.5677 3.4802 3.4930 3.5663 3.5678 3.6395 3.6432 4.1391 4.1481 4.3955 4.4030 4.5810 4.5869 4.9093 4.9130 4.9685 4.9724 5.0138 5.0256 5.3432 5.3488 5.6492 5.6627 5.6945 5.6971 6.2503 6.2509 9.4133 9.4154 9.8908 9.8929 12.5656 12.5671 12.9613 12.9635 13.5621 13.5711 14.3491 14.3554 14.5437 14.5451 14.8536 14.8583 k = 0.0000 0.0919 0.2250 ( 4688 PWs) bands (ev): -12.2414 -12.2411 -11.7788 -11.7787 -11.3091 -11.3091 -10.8836 -10.8834 -10.4912 -10.4911 -10.3683 -10.3683 -0.0358 -0.0232 0.3901 0.3919 0.4833 0.4914 0.5979 0.6243 0.7341 0.7885 0.8073 0.8622 0.9101 0.9186 1.0683 1.0977 1.1589 1.1916 1.2786 1.3031 1.3921 1.4137 1.5690 1.6162 1.6168 1.6447 1.6980 1.7276 1.7964 1.8155 2.0507 2.0771 2.1627 2.1770 2.3091 2.3200 2.4313 2.4446 2.5616 2.5765 3.4783 3.4921 3.5679 3.5694 3.6489 3.6529 4.0989 4.1080 4.3729 4.3806 4.5819 4.5883 4.9024 4.9100 4.9712 4.9761 5.0296 5.0385 5.3505 5.3556 5.6490 5.6641 5.6870 5.6902 6.2500 6.2506 9.4408 9.4431 9.9269 9.9293 12.4930 12.4946 12.9370 12.9393 13.5897 13.5995 14.3410 14.3466 14.5447 14.5456 14.8903 14.8947 k = 0.0000 0.1021 0.2250 ( 4687 PWs) bands (ev): -12.2367 -12.2365 -11.7753 -11.7752 -11.3165 -11.3165 -10.8859 -10.8857 -10.4901 -10.4900 -10.3694 -10.3693 -0.0347 -0.0209 0.3872 0.3888 0.4745 0.4830 0.5958 0.6219 0.7315 0.7942 0.8047 0.8514 0.9084 0.9189 1.0727 1.0920 1.1629 1.1998 1.2708 1.3028 1.3770 1.3990 1.5683 1.6158 1.6184 1.6448 1.6991 1.7273 1.8067 1.8162 2.0613 2.0765 2.1699 2.1812 2.3151 2.3266 2.4694 2.4754 2.5705 2.5886 3.4757 3.4905 3.5697 3.5712 3.6592 3.6634 4.0584 4.0676 4.3494 4.3574 4.5826 4.5896 4.8930 4.9035 4.9745 4.9800 5.0479 5.0543 5.3569 5.3614 5.6478 5.6634 5.6803 5.6834 6.2496 6.2503 9.4716 9.4739 9.9667 9.9693 12.4174 12.4189 12.9121 12.9145 13.6131 13.6238 14.3326 14.3375 14.5447 14.5476 14.9304 14.9346 k = 0.0000 0.1123 0.2250 ( 4683 PWs) bands (ev): -12.2318 -12.2315 -11.7715 -11.7714 -11.3244 -11.3244 -10.8885 -10.8882 -10.4890 -10.4888 -10.3705 -10.3704 -0.0333 -0.0185 0.3839 0.3855 0.4655 0.4744 0.5940 0.6199 0.7256 0.7974 0.8050 0.8416 0.9073 0.9194 1.0747 1.0853 1.1673 1.2059 1.2634 1.3031 1.3656 1.3872 1.5680 1.6159 1.6196 1.6444 1.7009 1.7271 1.8177 1.8182 2.0695 2.0758 2.1787 2.1861 2.3215 2.3335 2.5019 2.5021 2.5850 2.6059 3.4723 3.4878 3.5716 3.5731 3.6699 3.6743 4.0183 4.0275 4.3257 4.3340 4.5831 4.5906 4.8821 4.8946 4.9785 4.9844 5.0672 5.0716 5.3623 5.3663 5.6447 5.6587 5.6763 5.6771 6.2492 6.2499 9.5054 9.5078 10.0100 10.0129 12.3390 12.3406 12.8868 12.8893 13.6319 13.6433 14.3238 14.3283 14.5454 14.5499 14.9736 14.9778 k = 0.0000 0.1225 0.2250 ( 4682 PWs) bands (ev): -12.2266 -12.2263 -11.7674 -11.7673 -11.3326 -11.3326 -10.8912 -10.8909 -10.4879 -10.4878 -10.3716 -10.3715 -0.0317 -0.0159 0.3804 0.3817 0.4565 0.4658 0.5924 0.6182 0.7171 0.7961 0.8074 0.8350 0.9065 0.9200 1.0746 1.0778 1.1709 1.2096 1.2574 1.3032 1.3582 1.3794 1.5679 1.6165 1.6204 1.6436 1.7032 1.7267 1.8212 1.8289 2.0750 2.0756 2.1889 2.1918 2.3282 2.3407 2.5226 2.5256 2.6080 2.6292 3.4678 3.4839 3.5735 3.5750 3.6804 3.6849 3.9794 3.9885 4.3027 4.3113 4.5835 4.5913 4.8703 4.8842 4.9833 4.9895 5.0864 5.0892 5.3667 5.3702 5.6392 5.6500 5.6720 5.6746 6.2487 6.2495 9.5422 9.5446 10.0566 10.0598 12.2584 12.2599 12.8610 12.8637 13.6453 13.6574 14.3149 14.3194 14.5472 14.5527 15.0198 15.0239 k = 0.0000 0.1327 0.2250 ( 4680 PWs) bands (ev): -12.2212 -12.2209 -11.7631 -11.7630 -11.3412 -11.3411 -10.8941 -10.8938 -10.4870 -10.4868 -10.3727 -10.3725 -0.0298 -0.0132 0.3766 0.3777 0.4475 0.4571 0.5910 0.6167 0.7072 0.7894 0.8108 0.8327 0.9059 0.9207 1.0699 1.0725 1.1727 1.2108 1.2535 1.3017 1.3549 1.3772 1.5680 1.6175 1.6206 1.6429 1.7057 1.7263 1.8254 1.8403 2.0743 2.0799 2.1983 2.2004 2.3352 2.3479 2.5378 2.5404 2.6388 2.6579 3.4620 3.4785 3.5756 3.5770 3.6901 3.6945 3.9426 3.9516 4.2812 4.2901 4.5835 4.5916 4.8578 4.8727 4.9890 4.9955 5.1051 5.1065 5.3702 5.3732 5.6312 5.6392 5.6679 5.6735 6.2482 6.2490 9.5819 9.5842 10.1063 10.1097 12.1758 12.1773 12.8350 12.8378 13.6530 13.6657 14.3062 14.3109 14.5503 14.5565 15.0687 15.0728 k = 0.0000 0.1429 0.2250 ( 4675 PWs) bands (ev): -12.2157 -12.2153 -11.7585 -11.7584 -11.3499 -11.3498 -10.8971 -10.8968 -10.4862 -10.4860 -10.3737 -10.3734 -0.0277 -0.0103 0.3726 0.3733 0.4387 0.4486 0.5897 0.6154 0.6965 0.7789 0.8147 0.8332 0.9054 0.9215 1.0619 1.0691 1.1722 1.2102 1.2516 1.2978 1.3558 1.3805 1.5682 1.6188 1.6201 1.6425 1.7083 1.7257 1.8307 1.8516 2.0736 2.0828 2.2057 2.2126 2.3424 2.3553 2.5491 2.5501 2.6731 2.6895 3.4547 3.4714 3.5776 3.5789 3.6976 3.7019 3.9092 3.9179 4.2622 4.2712 4.5831 4.5915 4.8448 4.8605 4.9958 5.0023 5.1228 5.1230 5.3729 5.3755 5.6212 5.6273 5.6642 5.6717 6.2476 6.2484 9.6243 9.6266 10.1587 10.1624 12.0918 12.0932 12.8088 12.8119 13.6545 13.6677 14.2979 14.3032 14.5549 14.5613 15.1201 15.1241 k = 0.0000 0.1531 0.2250 ( 4681 PWs) bands (ev): -12.2101 -12.2097 -11.7538 -11.7537 -11.3587 -11.3586 -10.9002 -10.8999 -10.4856 -10.4853 -10.3745 -10.3742 -0.0254 -0.0073 0.3683 0.3686 0.4301 0.4402 0.5885 0.6143 0.6855 0.7667 0.8183 0.8347 0.9049 0.9223 1.0541 1.0648 1.1698 1.2082 1.2508 1.2922 1.3608 1.3882 1.5685 1.6187 1.6204 1.6426 1.7108 1.7249 1.8371 1.8627 2.0730 2.0846 2.2140 2.2253 2.3497 2.3625 2.5574 2.5581 2.7078 2.7221 3.4455 3.4623 3.5797 3.5808 3.7015 3.7057 3.8807 3.8889 4.2466 4.2558 4.5824 4.5909 4.8314 4.8477 5.0035 5.0101 5.1384 5.1392 5.3748 5.3771 5.6098 5.6146 5.6605 5.6692 6.2470 6.2478 9.6692 9.6714 10.2136 10.2176 12.0065 12.0078 12.7827 12.7860 13.6497 13.6632 14.2903 14.2962 14.5611 14.5675 15.1737 15.1777 k = 0.0000 0.1633 0.2250 ( 4675 PWs) bands (ev): -12.2046 -12.2042 -11.7489 -11.7487 -11.3674 -11.3674 -10.9035 -10.9032 -10.4852 -10.4849 -10.3752 -10.3749 -0.0228 -0.0042 0.3638 0.3639 0.4217 0.4321 0.5873 0.6133 0.6746 0.7539 0.8217 0.8361 0.9044 0.9229 1.0469 1.0603 1.1666 1.2054 1.2502 1.2858 1.3697 1.3986 1.5688 1.6168 1.6223 1.6430 1.7133 1.7239 1.8446 1.8734 2.0726 2.0857 2.2232 2.2382 2.3569 2.3697 2.5635 2.5658 2.7413 2.7543 3.4341 3.4507 3.5819 3.5827 3.7002 3.7042 3.8588 3.8659 4.2355 4.2446 4.5813 4.5898 4.8177 4.8344 5.0123 5.0190 5.1524 5.1543 5.3760 5.3781 5.5975 5.6012 5.6564 5.6656 6.2463 6.2471 9.7165 9.7185 10.2707 10.2749 11.9206 11.9218 12.7567 12.7602 13.6386 13.6523 14.2833 14.2901 14.5691 14.5750 15.2293 15.2332 k = 0.0000 0.1735 0.2250 ( 4677 PWs) bands (ev): -12.1991 -12.1988 -11.7438 -11.7436 -11.3761 -11.3761 -10.9068 -10.9065 -10.4850 -10.4846 -10.3758 -10.3754 -0.0200 -0.0009 0.3587 0.3594 0.4137 0.4243 0.5862 0.6124 0.6640 0.7410 0.8247 0.8372 0.9039 0.9233 1.0405 1.0558 1.1631 1.2021 1.2490 1.2792 1.3815 1.4104 1.5691 1.6144 1.6245 1.6438 1.7156 1.7224 1.8534 1.8837 2.0722 2.0863 2.2332 2.2511 2.3640 2.3767 2.5689 2.5728 2.7725 2.7848 3.4203 3.4367 3.5839 3.5846 3.6928 3.6968 3.8443 3.8497 4.2298 4.2383 4.5798 4.5882 4.8037 4.8207 5.0221 5.0287 5.1650 5.1677 5.3766 5.3785 5.5844 5.5874 5.6517 5.6612 6.2456 6.2463 9.7657 9.7676 10.3294 10.3339 11.8345 11.8355 12.7309 12.7347 13.6216 13.6353 14.2769 14.2845 14.5786 14.5839 15.2865 15.2902 k = 0.0000 0.1837 0.2250 ( 4681 PWs) bands (ev): -12.1939 -12.1935 -11.7385 -11.7383 -11.3846 -11.3846 -10.9102 -10.9099 -10.4851 -10.4847 -10.3761 -10.3757 -0.0170 0.0024 0.3536 0.3547 0.4061 0.4169 0.5850 0.6115 0.6538 0.7284 0.8271 0.8376 0.9033 0.9234 1.0351 1.0517 1.1599 1.1987 1.2472 1.2729 1.3954 1.4225 1.5694 1.6117 1.6269 1.6447 1.7178 1.7207 1.8632 1.8936 2.0719 2.0864 2.2439 2.2638 2.3709 2.3834 2.5740 2.5792 2.8007 2.8130 3.4042 3.4202 3.5859 3.5863 3.6802 3.6843 3.8364 3.8396 4.2297 4.2376 4.5778 4.5861 4.7895 4.8067 5.0328 5.0394 5.1760 5.1796 5.3765 5.3783 5.5709 5.5732 5.6465 5.6560 6.2448 6.2455 9.8165 9.8183 10.3892 10.3940 11.7488 11.7496 12.7055 12.7096 13.5992 13.6128 14.2710 14.2793 14.5894 14.5941 15.3451 15.3484 k = 0.0000 0.1939 0.2250 ( 4683 PWs) bands (ev): -12.1890 -12.1886 -11.7331 -11.7328 -11.3928 -11.3927 -10.9136 -10.9133 -10.4854 -10.4850 -10.3763 -10.3758 -0.0138 0.0058 0.3483 0.3499 0.3989 0.4099 0.5838 0.6107 0.6441 0.7162 0.8291 0.8376 0.9026 0.9232 1.0310 1.0483 1.1572 1.1953 1.2450 1.2671 1.4106 1.4343 1.5697 1.6087 1.6295 1.6456 1.7186 1.7197 1.8743 1.9031 2.0718 2.0863 2.2551 2.2760 2.3775 2.3896 2.5787 2.5854 2.8253 2.8382 3.3859 3.4016 3.5879 3.5880 3.6644 3.6685 3.8336 3.8341 4.2355 4.2423 4.5755 4.5836 4.7752 4.7926 5.0445 5.0509 5.1853 5.1897 5.3756 5.3773 5.5570 5.5588 5.6411 5.6503 6.2439 6.2446 9.8685 9.8701 10.4495 10.4546 11.6645 11.6651 12.6806 12.6850 13.5721 13.5854 14.2652 14.2742 14.6013 14.6052 15.4045 15.4074 k = 0.0000 0.2041 0.2250 ( 4685 PWs) bands (ev): -12.1845 -12.1841 -11.7275 -11.7272 -11.4006 -11.4005 -10.9170 -10.9168 -10.4860 -10.4855 -10.3762 -10.3757 -0.0104 0.0092 0.3431 0.3452 0.3923 0.4033 0.5826 0.6098 0.6352 0.7046 0.8307 0.8371 0.9020 0.9225 1.0281 1.0456 1.1550 1.1921 1.2426 1.2617 1.4264 1.4454 1.5701 1.6056 1.6323 1.6466 1.7161 1.7215 1.8864 1.9122 2.0717 2.0860 2.2667 2.2876 2.3837 2.3955 2.5832 2.5914 2.8457 2.8596 3.3660 3.3814 3.5895 3.5897 3.6472 3.6512 3.8321 3.8343 4.2466 4.2520 4.5728 4.5806 4.7610 4.7786 5.0570 5.0632 5.1931 5.1983 5.3737 5.3754 5.5430 5.5442 5.6356 5.6445 6.2430 6.2437 9.9211 9.9225 10.5095 10.5148 11.5827 11.5830 12.6563 12.6610 13.5411 13.5541 14.2593 14.2689 14.6136 14.6168 15.4643 15.4665 k = 0.0000 0.2143 0.2250 ( 4680 PWs) bands (ev): -12.1805 -12.1802 -11.7217 -11.7214 -11.4080 -11.4079 -10.9205 -10.9202 -10.4869 -10.4864 -10.3759 -10.3754 -0.0068 0.0126 0.3380 0.3405 0.3861 0.3972 0.5814 0.6087 0.6273 0.6937 0.8319 0.8361 0.9015 0.9217 1.0266 1.0437 1.1535 1.1891 1.2401 1.2570 1.4422 1.4554 1.5705 1.6025 1.6352 1.6475 1.7134 1.7231 1.8995 1.9211 2.0718 2.0856 2.2784 2.2983 2.3894 2.4007 2.5874 2.5971 2.8612 2.8765 3.3453 3.3605 3.5907 3.5912 3.6302 3.6338 3.8330 3.8377 4.2620 4.2660 4.5698 4.5773 4.7469 4.7647 5.0701 5.0761 5.1994 5.2052 5.3705 5.3722 5.5289 5.5297 5.6306 5.6390 6.2421 6.2427 9.9732 9.9745 10.5679 10.5735 11.5049 11.5050 12.6327 12.6377 13.5070 13.5197 14.2530 14.2631 14.6260 14.6285 15.5238 15.5252 k = 0.0000 0.2245 0.2250 ( 4690 PWs) bands (ev): -12.1771 -12.1768 -11.7157 -11.7154 -11.4149 -11.4147 -10.9238 -10.9236 -10.4880 -10.4874 -10.3754 -10.3748 -0.0032 0.0159 0.3330 0.3358 0.3805 0.3917 0.5802 0.6069 0.6207 0.6836 0.8329 0.8348 0.9010 0.9205 1.0262 1.0425 1.1525 1.1864 1.2377 1.2528 1.4574 1.4638 1.5712 1.5994 1.6383 1.6484 1.7105 1.7245 1.9134 1.9296 2.0720 2.0851 2.2898 2.3080 2.3945 2.4053 2.5912 2.6027 2.8714 2.8883 3.3246 3.3396 3.5911 3.5920 3.6148 3.6178 3.8368 3.8436 4.2807 4.2832 4.5665 4.5736 4.7332 4.7511 5.0837 5.0895 5.2043 5.2107 5.3657 5.3674 5.5151 5.5154 5.6264 5.6343 6.2410 6.2416 10.0239 10.0249 10.6232 10.6291 11.4332 11.4337 12.6099 12.6153 13.4707 13.4829 14.2461 14.2566 14.6378 14.6397 15.5822 15.5826 k = 0.0000 0.2347 0.2250 ( 4685 PWs) bands (ev): -12.1744 -12.1741 -11.7094 -11.7091 -11.4212 -11.4210 -10.9271 -10.9269 -10.4893 -10.4888 -10.3747 -10.3741 0.0005 0.0192 0.3282 0.3313 0.3756 0.3867 0.5789 0.6040 0.6162 0.6744 0.8334 0.8336 0.9006 0.9193 1.0269 1.0421 1.1522 1.1840 1.2354 1.2492 1.4706 1.4717 1.5722 1.5964 1.6414 1.6494 1.7075 1.7258 1.9280 1.9380 2.0725 2.0846 2.3008 2.3164 2.3990 2.4092 2.5946 2.6080 2.8759 2.8944 3.3048 3.3193 3.5884 3.5898 3.6042 3.6062 3.8437 3.8523 4.3012 4.3022 4.5629 4.5696 4.7202 4.7382 5.0976 5.1031 5.2078 5.2148 5.3592 5.3608 5.5015 5.5016 5.6234 5.6308 6.2400 6.2405 10.0714 10.0722 10.6734 10.6797 11.3710 11.3719 12.5882 12.5939 13.4329 13.4447 14.2386 14.2494 14.6486 14.6499 15.6378 15.6386 k = 0.0000 0.2449 0.2250 ( 4689 PWs) bands (ev): -12.1725 -12.1722 -11.7030 -11.7026 -11.4270 -11.4268 -10.9303 -10.9301 -10.4909 -10.4903 -10.3738 -10.3731 0.0043 0.0223 0.3237 0.3270 0.3713 0.3824 0.5776 0.5999 0.6137 0.6661 0.8318 0.8343 0.9004 0.9180 1.0286 1.0421 1.1524 1.1819 1.2334 1.2461 1.4754 1.4847 1.5737 1.5934 1.6445 1.6504 1.7045 1.7270 1.9431 1.9463 2.0731 2.0841 2.3110 2.3233 2.4027 2.4124 2.5976 2.6130 2.8746 2.8945 3.2861 3.2999 3.5799 3.5820 3.6016 3.6025 3.8537 3.8636 4.3217 4.3223 4.5591 4.5654 4.7082 4.7263 5.1116 5.1167 5.2100 5.2175 5.3511 5.3525 5.4883 5.4887 5.6220 5.6289 6.2388 6.2394 10.1134 10.1141 10.7163 10.7227 11.3226 11.3239 12.5677 12.5737 13.3944 13.4057 14.2303 14.2413 14.6577 14.6586 15.6898 15.6917 k = 0.0000 0.2551 0.2250 ( 4690 PWs) bands (ev): -12.1714 -12.1711 -11.6962 -11.6958 -11.4321 -11.4319 -10.9334 -10.9331 -10.4926 -10.4920 -10.3727 -10.3720 0.0080 0.0252 0.3195 0.3230 0.3678 0.3787 0.5764 0.5955 0.6124 0.6588 0.8301 0.8349 0.9003 0.9169 1.0311 1.0427 1.1532 1.1801 1.2317 1.2436 1.4782 1.4961 1.5755 1.5907 1.6474 1.6514 1.7017 1.7281 1.9543 1.9586 2.0740 2.0837 2.3201 2.3286 2.4056 2.4147 2.5999 2.6175 2.8678 2.8888 3.2686 3.2812 3.5707 3.5743 3.6024 3.6028 3.8670 3.8777 4.3405 4.3425 4.5550 4.5610 4.6975 4.7157 5.1253 5.1300 5.2108 5.2188 5.3417 5.3428 5.4761 5.4766 5.6223 5.6287 6.2376 6.2381 10.1465 10.1471 10.7500 10.7564 11.2923 11.2939 12.5488 12.5551 13.3557 13.3666 14.2212 14.2323 14.6648 14.6652 15.7374 15.7404 k = 0.0000 0.2551 0.2250 ( 4690 PWs) bands (ev): -12.1714 -12.1711 -11.6962 -11.6958 -11.4321 -11.4319 -10.9334 -10.9331 -10.4926 -10.4920 -10.3727 -10.3720 0.0080 0.0252 0.3195 0.3230 0.3678 0.3787 0.5764 0.5955 0.6124 0.6588 0.8301 0.8349 0.9003 0.9169 1.0311 1.0427 1.1532 1.1801 1.2317 1.2436 1.4782 1.4961 1.5755 1.5907 1.6474 1.6514 1.7017 1.7281 1.9543 1.9586 2.0740 2.0837 2.3201 2.3286 2.4056 2.4147 2.5999 2.6175 2.8678 2.8888 3.2686 3.2812 3.5707 3.5743 3.6024 3.6028 3.8670 3.8777 4.3405 4.3425 4.5550 4.5610 4.6975 4.7157 5.1253 5.1300 5.2108 5.2188 5.3417 5.3428 5.4761 5.4766 5.6223 5.6287 6.2376 6.2381 10.1465 10.1471 10.7500 10.7564 11.2923 11.2939 12.5488 12.5551 13.3557 13.3666 14.2212 14.2323 14.6648 14.6652 15.7374 15.7404 k = 0.0000 0.2587 0.2161 ( 4680 PWs) bands (ev): -12.1694 -12.1691 -11.6997 -11.6994 -11.4289 -11.4287 -10.9370 -10.9367 -10.4889 -10.4883 -10.3747 -10.3740 0.0090 0.0253 0.3247 0.3279 0.3717 0.3818 0.5719 0.5882 0.6112 0.6545 0.8241 0.8320 0.9026 0.9169 1.0275 1.0391 1.1531 1.1781 1.2313 1.2428 1.4810 1.5006 1.5775 1.5900 1.6500 1.6524 1.7020 1.7296 1.9485 1.9528 2.0733 2.0826 2.3162 2.3247 2.4064 2.4144 2.6086 2.6285 2.8635 2.8817 3.2740 3.2853 3.5653 3.5697 3.6044 3.6045 3.8848 3.8937 4.3628 4.3635 4.5480 4.5535 4.6987 4.7161 5.1303 5.1351 5.1912 5.1995 5.3344 5.3346 5.4794 5.4797 5.6133 5.6198 6.2339 6.2343 10.1484 10.1487 10.7626 10.7689 11.3213 11.3225 12.5466 12.5536 13.3135 13.3247 14.1942 14.2056 14.6527 14.6530 15.7843 15.7872 k = 0.0000 0.2622 0.2073 ( 4679 PWs) bands (ev): -12.1676 -12.1673 -11.7029 -11.7026 -11.4257 -11.4255 -10.9407 -10.9405 -10.4851 -10.4845 -10.3768 -10.3761 0.0101 0.0254 0.3301 0.3331 0.3759 0.3852 0.5664 0.5792 0.6107 0.6497 0.8190 0.8292 0.9048 0.9171 1.0244 1.0358 1.1532 1.1762 1.2310 1.2418 1.4844 1.5051 1.5791 1.5892 1.6524 1.6533 1.7022 1.7302 1.9431 1.9472 2.0728 2.0815 2.3128 2.3211 2.4070 2.4140 2.6174 2.6391 2.8573 2.8725 3.2803 3.2900 3.5572 3.5624 3.6064 3.6065 3.9055 3.9127 4.3862 4.3867 4.5412 4.5462 4.6995 4.7158 5.1345 5.1394 5.1702 5.1782 5.3277 5.3290 5.4834 5.4834 5.6036 5.6100 6.2300 6.2304 10.1478 10.1479 10.7719 10.7778 11.3591 11.3598 12.5411 12.5487 13.2727 13.2842 14.1646 14.1760 14.6428 14.6436 15.8280 15.8308 k = 0.0000 0.2658 0.1984 ( 4679 PWs) bands (ev): -12.1660 -12.1658 -11.7057 -11.7054 -11.4225 -11.4223 -10.9445 -10.9443 -10.4813 -10.4807 -10.3789 -10.3782 0.0114 0.0256 0.3357 0.3384 0.3805 0.3889 0.5600 0.5692 0.6104 0.6444 0.8152 0.8266 0.9069 0.9175 1.0217 1.0327 1.1534 1.1745 1.2307 1.2408 1.4884 1.5097 1.5804 1.5883 1.6540 1.6545 1.7024 1.7299 1.9382 1.9419 2.0722 2.0804 2.3101 2.3181 2.4075 2.4136 2.6264 2.6493 2.8496 2.8616 3.2873 3.2952 3.5473 3.5533 3.6085 3.6086 3.9278 3.9335 4.4101 4.4117 4.5349 4.5393 4.6997 4.7149 5.1354 5.1425 5.1502 5.1557 5.3231 5.3253 5.4875 5.4878 5.5932 5.5995 6.2261 6.2265 10.1456 10.1457 10.7778 10.7833 11.4045 11.4047 12.5312 12.5394 13.2348 13.2464 14.1335 14.1445 14.6352 14.6362 15.8676 15.8701 k = 0.0000 0.2693 0.1895 ( 4670 PWs) bands (ev): -12.1647 -12.1645 -11.7081 -11.7078 -11.4193 -11.4192 -10.9482 -10.9480 -10.4776 -10.4770 -10.3810 -10.3804 0.0128 0.0257 0.3413 0.3438 0.3856 0.3929 0.5524 0.5582 0.6103 0.6393 0.8123 0.8243 0.9090 0.9179 1.0195 1.0299 1.1539 1.1729 1.2306 1.2397 1.4929 1.5141 1.5814 1.5875 1.6547 1.6565 1.7025 1.7289 1.9337 1.9371 2.0718 2.0793 2.3080 2.3154 2.4080 2.4133 2.6356 2.6592 2.8408 2.8495 3.2946 3.3008 3.5365 3.5430 3.6106 3.6106 3.9507 3.9552 4.4349 4.4374 4.5291 4.5328 4.6993 4.7132 5.1196 5.1297 5.1452 5.1472 5.3205 5.3234 5.4919 5.4924 5.5823 5.5883 6.2222 6.2226 10.1425 10.1428 10.7808 10.7858 11.4556 11.4561 12.5162 12.5248 13.2010 13.2124 14.1021 14.1124 14.6292 14.6304 15.9025 15.9047 k = 0.0000 0.2728 0.1806 ( 4676 PWs) bands (ev): -12.1636 -12.1634 -11.7102 -11.7099 -11.4163 -11.4162 -10.9518 -10.9516 -10.4739 -10.4733 -10.3832 -10.3826 0.0143 0.0259 0.3467 0.3490 0.3913 0.3973 0.5437 0.5465 0.6104 0.6343 0.8104 0.8221 0.9109 0.9183 1.0177 1.0273 1.1545 1.1714 1.2306 1.2386 1.4977 1.5181 1.5821 1.5867 1.6553 1.6581 1.7025 1.7270 1.9298 1.9327 2.0714 2.0783 2.3064 2.3132 2.4084 2.4129 2.6450 2.6689 2.8311 2.8365 3.3021 3.3065 3.5254 3.5323 3.6126 3.6126 3.9734 3.9769 4.4597 4.4634 4.5241 4.5269 4.6981 4.7107 5.0960 5.1052 5.1470 5.1492 5.3198 5.3232 5.4962 5.4972 5.5710 5.5765 6.2186 6.2189 10.1390 10.1394 10.7817 10.7860 11.5108 11.5118 12.4955 12.5043 13.1722 13.1832 14.0713 14.0808 14.6246 14.6258 15.9325 15.9343 k = 0.0000 0.2764 0.1717 ( 4682 PWs) bands (ev): -12.1627 -12.1625 -11.7120 -11.7117 -11.4135 -11.4134 -10.9552 -10.9550 -10.4705 -10.4699 -10.3853 -10.3847 0.0158 0.0259 0.3518 0.3539 0.3978 0.4024 0.5339 0.5344 0.6105 0.6299 0.8092 0.8201 0.9126 0.9188 1.0164 1.0250 1.1552 1.1699 1.2306 1.2375 1.5026 1.5218 1.5826 1.5861 1.6559 1.6595 1.7025 1.7246 1.9264 1.9288 2.0711 2.0772 2.3053 2.3113 2.4087 2.4125 2.6547 2.6783 2.8208 2.8230 3.3093 3.3121 3.5147 3.5215 3.6145 3.6145 3.9950 3.9976 4.4837 4.4888 4.5205 4.5216 4.6964 4.7074 5.0720 5.0805 5.1489 5.1509 5.3209 5.3247 5.5004 5.5018 5.5597 5.5646 6.2151 6.2154 10.1356 10.1360 10.7811 10.7848 11.5683 11.5698 12.4693 12.4779 13.1492 13.1593 14.0422 14.0507 14.6210 14.6221 15.9575 15.9590 k = 0.0000 0.2799 0.1628 ( 4683 PWs) bands (ev): -12.1620 -12.1618 -11.7134 -11.7132 -11.4110 -11.4109 -10.9582 -10.9581 -10.4672 -10.4667 -10.3873 -10.3868 0.0173 0.0259 0.3563 0.3582 0.4050 0.4082 0.5221 0.5233 0.6108 0.6260 0.8087 0.8183 0.9142 0.9192 1.0154 1.0229 1.1560 1.1685 1.2307 1.2365 1.5076 1.5248 1.5830 1.5855 1.6565 1.6605 1.7026 1.7219 1.9236 1.9254 2.0710 2.0762 2.3047 2.3097 2.4090 2.4121 2.6647 2.6874 2.8096 2.8104 3.3160 3.3176 3.5048 3.5114 3.6161 3.6161 4.0148 4.0167 4.5027 4.5118 4.5185 4.5219 4.6940 4.7036 5.0489 5.0566 5.1505 5.1522 5.3233 5.3272 5.5041 5.5062 5.5489 5.5528 6.2120 6.2123 10.1325 10.1329 10.7797 10.7828 11.6262 11.6281 12.4384 12.4465 13.1317 13.1407 14.0159 14.0232 14.6182 14.6192 15.9779 15.9790 k = 0.0000 0.2834 0.1540 ( 4682 PWs) bands (ev): -12.1614 -12.1613 -11.7146 -11.7144 -11.4088 -11.4087 -10.9608 -10.9607 -10.4644 -10.4639 -10.3891 -10.3886 0.0188 0.0257 0.3601 0.3619 0.4130 0.4149 0.5098 0.5120 0.6112 0.6228 0.8086 0.8167 0.9156 0.9195 1.0148 1.0210 1.1570 1.1671 1.2309 1.2355 1.5125 1.5271 1.5833 1.5851 1.6571 1.6612 1.7028 1.7188 1.9212 1.9226 2.0710 2.0752 2.3043 2.3084 2.4093 2.4118 2.6748 2.6961 2.7966 2.8000 3.3220 3.3226 3.4962 3.5021 3.6175 3.6176 4.0321 4.0335 4.5071 4.5123 4.5367 4.5370 4.6913 4.6993 5.0277 5.0344 5.1518 5.1532 5.3268 5.3306 5.5071 5.5100 5.5392 5.5417 6.2094 6.2096 10.1297 10.1301 10.7780 10.7804 11.6823 11.6844 12.4045 12.4117 13.1195 13.1270 13.9931 13.9991 14.6161 14.6169 15.9940 15.9947 k = 0.0000 0.2870 0.1451 ( 4682 PWs) bands (ev): -12.1610 -12.1609 -11.7155 -11.7153 -11.4070 -11.4069 -10.9630 -10.9629 -10.4620 -10.4616 -10.3906 -10.3902 0.0201 0.0254 0.3632 0.3647 0.4217 0.4224 0.4979 0.5006 0.6118 0.6201 0.8090 0.8152 0.9168 0.9196 1.0146 1.0193 1.1581 1.1658 1.2311 1.2346 1.5170 1.5286 1.5835 1.5847 1.6578 1.6614 1.7034 1.7158 1.9194 1.9203 2.0711 2.0743 2.3043 2.3074 2.4096 2.4114 2.6850 2.7039 2.7846 2.7899 3.3269 3.3270 3.4892 3.4942 3.6187 3.6187 4.0463 4.0473 4.5061 4.5093 4.5557 4.5564 4.6885 4.6948 5.0095 5.0150 5.1527 5.1538 5.3307 5.3340 5.5090 5.5129 5.5315 5.5319 6.2072 6.2074 10.1276 10.1278 10.7763 10.7782 11.7337 11.7358 12.3704 12.3764 13.1115 13.1173 13.9746 13.9793 14.6146 14.6152 16.0060 16.0065 k = 0.0000 0.2905 0.1362 ( 4683 PWs) bands (ev): -12.1607 -12.1606 -11.7161 -11.7160 -11.4057 -11.4056 -10.9645 -10.9645 -10.4601 -10.4599 -10.3918 -10.3915 0.0214 0.0249 0.3655 0.3665 0.4302 0.4304 0.4870 0.4897 0.6125 0.6179 0.8096 0.8138 0.9178 0.9196 1.0147 1.0179 1.1593 1.1644 1.2315 1.2338 1.5210 1.5290 1.5837 1.5844 1.6586 1.6613 1.7044 1.7128 1.9181 1.9187 2.0713 2.0735 2.3044 2.3065 2.4099 2.4111 2.6950 2.7099 2.7749 2.7807 3.3303 3.3307 3.4843 3.4878 3.6195 3.6195 4.0569 4.0575 4.5049 4.5069 4.5715 4.5722 4.6860 4.6905 4.9957 4.9996 5.1534 5.1541 5.3344 5.3369 5.5095 5.5143 5.5248 5.5264 6.2057 6.2058 10.1260 10.1262 10.7751 10.7763 11.7766 11.7784 12.3402 12.3446 13.1070 13.1109 13.9611 13.9643 14.6135 14.6140 16.0144 16.0147 k = 0.0000 0.2940 0.1273 ( 4680 PWs) bands (ev): -12.1605 -12.1605 -11.7164 -11.7164 -11.4049 -11.4049 -10.9655 -10.9655 -10.4589 -10.4588 -10.3925 -10.3924 0.0225 0.0243 0.3670 0.3675 0.4373 0.4379 0.4785 0.4803 0.6134 0.6161 0.8104 0.8126 0.9186 0.9195 1.0151 1.0167 1.1605 1.1631 1.2319 1.2331 1.5243 1.5284 1.5839 1.5842 1.6594 1.6608 1.7058 1.7101 1.9174 1.9177 2.0717 2.0728 2.3048 2.3058 2.4102 2.4108 2.7039 2.7126 2.7689 2.7730 3.3326 3.3329 3.4816 3.4835 3.6200 3.6200 4.0635 4.0638 4.5043 4.5052 4.5822 4.5825 4.6845 4.6869 4.9872 4.9892 5.1539 5.1542 5.3373 5.3387 5.5095 5.5127 5.5222 5.5237 6.2047 6.2048 10.1250 10.1251 10.7744 10.7750 11.8060 11.8070 12.3190 12.3214 13.1050 13.1070 13.9532 13.9548 14.6130 14.6132 16.0194 16.0195 k = 0.0000 0.2976 0.1184 ( 4674 PWs) bands (ev): -12.1604 -12.1604 -11.7166 -11.7166 -11.4046 -11.4046 -10.9658 -10.9658 -10.4585 -10.4585 -10.3927 -10.3927 0.0235 0.0235 0.3677 0.3677 0.4409 0.4409 0.4756 0.4756 0.6146 0.6146 0.8115 0.8115 0.9192 0.9192 1.0158 1.0158 1.1618 1.1618 1.2325 1.2325 1.5268 1.5268 1.5841 1.5841 1.6602 1.6602 1.7078 1.7078 1.9172 1.9172 2.0722 2.0722 2.3052 2.3052 2.4105 2.4105 2.7104 2.7104 2.7685 2.7685 3.3335 3.3335 3.4814 3.4814 3.6202 3.6202 4.0658 4.0658 4.5044 4.5044 4.5861 4.5861 4.6847 4.6847 4.9850 4.9850 5.1541 5.1541 5.3389 5.3389 5.5104 5.5104 5.5225 5.5225 6.2044 6.2044 10.1247 10.1247 10.7743 10.7743 11.8169 11.8169 12.3121 12.3121 13.1051 13.1051 13.9510 13.9510 14.6128 14.6128 16.0211 16.0211 k = 0.0000 0.2976 0.1184 ( 4674 PWs) bands (ev): -12.1604 -12.1604 -11.7166 -11.7166 -11.4046 -11.4046 -10.9658 -10.9658 -10.4585 -10.4585 -10.3927 -10.3927 0.0235 0.0235 0.3677 0.3677 0.4409 0.4409 0.4756 0.4756 0.6146 0.6146 0.8115 0.8115 0.9192 0.9192 1.0158 1.0158 1.1618 1.1618 1.2325 1.2325 1.5268 1.5268 1.5841 1.5841 1.6602 1.6602 1.7078 1.7078 1.9172 1.9172 2.0722 2.0722 2.3052 2.3052 2.4105 2.4105 2.7104 2.7104 2.7685 2.7685 3.3335 3.3335 3.4814 3.4814 3.6202 3.6202 4.0658 4.0658 4.5044 4.5044 4.5861 4.5861 4.6847 4.6847 4.9850 4.9850 5.1541 5.1541 5.3389 5.3389 5.5104 5.5104 5.5225 5.5225 6.2044 6.2044 10.1247 10.1247 10.7743 10.7743 11.8169 11.8169 12.3121 12.3121 13.1051 13.1051 13.9510 13.9510 14.6128 14.6128 16.0211 16.0211 k = 0.0102 0.2976 0.1184 ( 4676 PWs) bands (ev): -12.1599 -12.1599 -11.7163 -11.7162 -11.4045 -11.4043 -10.9656 -10.9655 -10.4586 -10.4585 -10.3926 -10.3926 0.0224 0.0251 0.3664 0.3698 0.4404 0.4412 0.4737 0.4782 0.6113 0.6180 0.8071 0.8152 0.9139 0.9249 1.0147 1.0170 1.1593 1.1637 1.2308 1.2337 1.5235 1.5291 1.5804 1.5877 1.6573 1.6632 1.7033 1.7122 1.9125 1.9226 2.0687 2.0757 2.3034 2.3070 2.4053 2.4109 2.7095 2.7112 2.7695 2.7702 3.3333 3.3340 3.4739 3.4797 3.6211 3.6263 4.0645 4.0652 4.4996 4.5028 4.5860 4.5884 4.6841 4.6875 4.9837 4.9845 5.1492 5.1514 5.3387 5.3403 5.5057 5.5157 5.5179 5.5273 6.2031 6.2035 10.1271 10.1272 10.7763 10.7768 11.8182 11.8184 12.3135 12.3138 13.1065 13.1068 13.9518 13.9525 14.6149 14.6150 16.0203 16.0205 k = 0.0204 0.2976 0.1184 ( 4680 PWs) bands (ev): -12.1583 -12.1582 -11.7153 -11.7153 -11.4039 -11.4037 -10.9649 -10.9648 -10.4589 -10.4587 -10.3924 -10.3923 0.0217 0.0271 0.3659 0.3727 0.4396 0.4412 0.4725 0.4812 0.6080 0.6215 0.8025 0.8184 0.9092 0.9309 1.0135 1.0182 1.1563 1.1649 1.2286 1.2346 1.5190 1.5307 1.5771 1.5912 1.6546 1.6664 1.6988 1.7165 1.9086 1.9284 2.0652 2.0791 2.3015 2.3087 2.3956 2.4068 2.7084 2.7117 2.7732 2.7744 3.3332 3.3348 3.4592 3.4694 3.6285 3.6376 4.0612 4.0626 4.4893 4.4953 4.5882 4.5926 4.6856 4.6919 4.9804 4.9821 5.1373 5.1416 5.3393 5.3424 5.5006 5.5126 5.5226 5.5331 6.1995 6.2003 10.1343 10.1345 10.7827 10.7836 11.8222 11.8225 12.3180 12.3186 13.1110 13.1116 13.9547 13.9561 14.6212 14.6214 16.0180 16.0184 k = 0.0306 0.2976 0.1184 ( 4682 PWs) bands (ev): -12.1556 -12.1555 -11.7138 -11.7137 -11.4030 -11.4027 -10.9637 -10.9636 -10.4593 -10.4591 -10.3920 -10.3918 0.0214 0.0296 0.3660 0.3764 0.4386 0.4409 0.4722 0.4848 0.6049 0.6250 0.7976 0.8206 0.9054 0.9371 1.0124 1.0194 1.1527 1.1656 1.2260 1.2350 1.5129 1.5316 1.5745 1.5943 1.6521 1.6694 1.6946 1.7207 1.9054 1.9345 2.0616 2.0826 2.2994 2.3102 2.3821 2.3989 2.7065 2.7114 2.7793 2.7811 3.3333 3.3356 3.4401 3.4530 3.6404 3.6516 4.0557 4.0579 4.4748 4.4831 4.5917 4.5978 4.6889 4.6974 4.9746 4.9774 5.1205 5.1268 5.3397 5.3440 5.4944 5.5061 5.5312 5.5406 6.1937 6.1949 10.1462 10.1465 10.7934 10.7947 11.8290 11.8294 12.3256 12.3265 13.1185 13.1195 13.9597 13.9618 14.6318 14.6321 16.0142 16.0148 k = 0.0408 0.2976 0.1184 ( 4684 PWs) bands (ev): -12.1518 -12.1517 -11.7116 -11.7115 -11.4017 -11.4012 -10.9621 -10.9619 -10.4598 -10.4595 -10.3914 -10.3912 0.0216 0.0324 0.3668 0.3807 0.4374 0.4404 0.4727 0.4887 0.6020 0.6286 0.7927 0.8217 0.9026 0.9434 1.0111 1.0208 1.1487 1.1656 1.2229 1.2351 1.5052 1.5319 1.5729 1.5974 1.6496 1.6720 1.6910 1.7246 1.9031 1.9407 2.0579 2.0862 2.2969 2.3112 2.3658 2.3883 2.7035 2.7099 2.7873 2.7897 3.3333 3.3365 3.4186 3.4331 3.6544 3.6668 4.0478 4.0510 4.4575 4.4674 4.5958 4.6034 4.6934 4.7035 4.9656 4.9698 5.1010 5.1091 5.3386 5.3440 5.4868 5.4983 5.5416 5.5499 6.1857 6.1873 10.1628 10.1631 10.8084 10.8101 11.8383 11.8389 12.3362 12.3374 13.1290 13.1303 13.9667 13.9695 14.6466 14.6471 16.0088 16.0096 k = 0.0510 0.2976 0.1184 ( 4692 PWs) bands (ev): -12.1469 -12.1468 -11.7088 -11.7087 -11.4000 -11.3995 -10.9600 -10.9597 -10.4605 -10.4602 -10.3907 -10.3904 0.0221 0.0356 0.3681 0.3855 0.4363 0.4396 0.4741 0.4929 0.5994 0.6322 0.7877 0.8217 0.9008 0.9495 1.0098 1.0221 1.1442 1.1651 1.2193 1.2347 1.4959 1.5315 1.5723 1.6004 1.6471 1.6733 1.6888 1.7284 1.9014 1.9466 2.0543 2.0899 2.2935 2.3107 2.3486 2.3763 2.6990 2.7068 2.7968 2.7997 3.3327 3.3370 3.3963 3.4118 3.6692 3.6822 4.0372 4.0414 4.4384 4.4495 4.6000 4.6089 4.6985 4.7097 4.9521 4.9586 5.0814 5.0910 5.3353 5.3415 5.4780 5.4893 5.5534 5.5606 6.1757 6.1777 10.1839 10.1843 10.8274 10.8295 11.8501 11.8508 12.3496 12.3512 13.1424 13.1440 13.9755 13.9791 14.6657 14.6663 16.0016 16.0026 k = 0.0612 0.2976 0.1184 ( 4692 PWs) bands (ev): -12.1410 -12.1409 -11.7054 -11.7053 -11.3980 -11.3973 -10.9574 -10.9571 -10.4614 -10.4610 -10.3898 -10.3894 0.0230 0.0392 0.3697 0.3905 0.4355 0.4387 0.4763 0.4974 0.5972 0.6361 0.7828 0.8205 0.9001 0.9556 1.0082 1.0234 1.1394 1.1641 1.2152 1.2340 1.4854 1.5305 1.5729 1.6036 1.6445 1.6726 1.6890 1.7320 1.9002 1.9520 2.0509 2.0939 2.2885 2.3057 2.3341 2.3645 2.6925 2.7020 2.8070 2.8104 3.3303 3.3366 3.3755 3.3912 3.6840 3.6974 4.0236 4.0289 4.4184 4.4305 4.6034 4.6138 4.7040 4.7155 4.9334 4.9429 5.0637 5.0746 5.3293 5.3363 5.4684 5.4795 5.5660 5.5723 6.1637 6.1661 10.2094 10.2098 10.8502 10.8527 11.8643 11.8652 12.3659 12.3678 13.1585 13.1604 13.9861 13.9904 14.6892 14.6899 15.9924 15.9937 k = 0.0714 0.2976 0.1184 ( 4680 PWs) bands (ev): -12.1340 -12.1339 -11.7015 -11.7013 -11.3955 -11.3948 -10.9543 -10.9540 -10.4625 -10.4621 -10.3887 -10.3882 0.0243 0.0431 0.3712 0.3952 0.4347 0.4383 0.4794 0.5021 0.5956 0.6401 0.7781 0.8182 0.9003 0.9614 1.0064 1.0247 1.1342 1.1628 1.2107 1.2330 1.4740 1.5288 1.5745 1.6071 1.6420 1.6705 1.6910 1.7356 1.8994 1.9567 2.0478 2.0980 2.2806 2.2923 2.3273 2.3546 2.6839 2.6953 2.8173 2.8213 3.3232 3.3332 3.3594 3.3743 3.6985 3.7122 4.0066 4.0131 4.3984 4.4111 4.6054 4.6174 4.7094 4.7208 4.9097 4.9229 5.0489 5.0608 5.3204 5.3282 5.4583 5.4691 5.5789 5.5843 6.1498 6.1527 10.2390 10.2395 10.8767 10.8795 11.8807 11.8817 12.3848 12.3870 13.1771 13.1794 13.9982 14.0032 14.7168 14.7176 15.9811 15.9827 k = 0.0816 0.2976 0.1184 ( 4676 PWs) bands (ev): -12.1260 -12.1258 -11.6969 -11.6967 -11.3928 -11.3919 -10.9509 -10.9505 -10.4638 -10.4633 -10.3874 -10.3869 0.0258 0.0471 0.3725 0.3990 0.4331 0.4398 0.4832 0.5068 0.5946 0.6443 0.7735 0.8151 0.9011 0.9668 1.0043 1.0258 1.1289 1.1613 1.2056 1.2315 1.4621 1.5263 1.5769 1.6111 1.6395 1.6676 1.6940 1.7389 1.8987 1.9605 2.0453 2.1020 2.2678 2.2756 2.3253 2.3476 2.6728 2.6863 2.8271 2.8318 3.3096 3.3230 3.3519 3.3645 3.7121 3.7263 3.9861 3.9939 4.3791 4.3922 4.6053 4.6188 4.7144 4.7251 4.8824 4.8998 5.0369 5.0495 5.3088 5.3173 5.4483 5.4585 5.5916 5.5962 6.1343 6.1376 10.2725 10.2731 10.9065 10.9096 11.8991 11.9003 12.4061 12.4086 13.1981 13.2007 14.0117 14.0174 14.7486 14.7496 15.9675 15.9695 k = 0.0918 0.2976 0.1184 ( 4670 PWs) bands (ev): -12.1169 -12.1167 -11.6918 -11.6916 -11.3897 -11.3887 -10.9470 -10.9465 -10.4653 -10.4648 -10.3860 -10.3854 0.0276 0.0514 0.3730 0.4016 0.4305 0.4438 0.4878 0.5117 0.5945 0.6489 0.7691 0.8114 0.9022 0.9716 1.0020 1.0266 1.1234 1.1597 1.2002 1.2296 1.4499 1.5230 1.5798 1.6155 1.6372 1.6646 1.6973 1.7421 1.8978 1.9629 2.0436 2.1057 2.2493 2.2609 2.3247 2.3433 2.6592 2.6750 2.8361 2.8414 3.2927 3.3076 3.3500 3.3607 3.7247 3.7396 3.9621 3.9711 4.3608 4.3743 4.6020 4.6171 4.7185 4.7280 4.8538 4.8758 5.0268 5.0401 5.2947 5.3040 5.4384 5.4479 5.6038 5.6077 6.1172 6.1210 10.3098 10.3104 10.9394 10.9428 11.9194 11.9208 12.4297 12.4324 13.2213 13.2241 14.0264 14.0328 14.7845 14.7856 15.9514 15.9538 k = 0.1020 0.2976 0.1184 ( 4670 PWs) bands (ev): -12.1069 -12.1067 -11.6861 -11.6859 -11.3862 -11.3851 -10.9427 -10.9422 -10.4671 -10.4665 -10.3844 -10.3837 0.0295 0.0558 0.3723 0.4029 0.4274 0.4498 0.4933 0.5166 0.5953 0.6537 0.7650 0.8073 0.9031 0.9755 0.9998 1.0270 1.1180 1.1580 1.1944 1.2274 1.4379 1.5189 1.5830 1.6203 1.6355 1.6617 1.7008 1.7452 1.8967 1.9641 2.0428 2.1083 2.2301 2.2462 2.3243 2.3410 2.6429 2.6613 2.8439 2.8499 3.2760 3.2915 3.3499 3.3597 3.7357 3.7520 3.9350 3.9451 4.3440 4.3577 4.5948 4.6113 4.7205 4.7283 4.8268 4.8536 5.0177 5.0317 5.2788 5.2888 5.4287 5.4373 5.6151 5.6185 6.0988 6.1030 10.3505 10.3512 10.9750 10.9787 11.9413 11.9428 12.4552 12.4582 13.2463 13.2494 14.0421 14.0492 14.8242 14.8254 15.9326 15.9355 k = 0.1122 0.2976 0.1184 ( 4672 PWs) bands (ev): -12.0958 -12.0956 -11.6799 -11.6797 -11.3825 -11.3813 -10.9380 -10.9375 -10.4691 -10.4684 -10.3826 -10.3819 0.0316 0.0601 0.3700 0.4031 0.4242 0.4573 0.4995 0.5215 0.5973 0.6590 0.7611 0.8029 0.9037 0.9779 0.9981 1.0268 1.1128 1.1566 1.1885 1.2249 1.4262 1.5142 1.5859 1.6254 1.6349 1.6590 1.7044 1.7482 1.8952 1.9638 2.0432 2.1091 2.2129 2.2313 2.3240 2.3394 2.6241 2.6453 2.8503 2.8570 3.2610 3.2769 3.3502 3.3596 3.7442 3.7628 3.9057 3.9168 4.3286 4.3424 4.5830 4.6004 4.7182 4.7248 4.8054 4.8362 5.0089 5.0237 5.2617 5.2724 5.4193 5.4269 5.6255 5.6284 6.0791 6.0838 10.3945 10.3952 11.0131 11.0170 11.9646 11.9663 12.4824 12.4857 13.2729 13.2763 14.0587 14.0665 14.8674 14.8687 15.9111 15.9145 k = 0.1224 0.2976 0.1184 ( 4672 PWs) bands (ev): -12.0838 -12.0836 -11.6732 -11.6729 -11.3784 -11.3771 -10.9329 -10.9324 -10.4713 -10.4706 -10.3807 -10.3799 0.0337 0.0644 0.3660 0.4013 0.4220 0.4654 0.5065 0.5264 0.6005 0.6647 0.7574 0.7985 0.9036 0.9779 0.9977 1.0261 1.1080 1.1554 1.1825 1.2223 1.4152 1.5090 1.5879 1.6306 1.6359 1.6568 1.7080 1.7511 1.8934 1.9624 2.0447 2.1066 2.1991 2.2169 2.3234 2.3377 2.6030 2.6274 2.8550 2.8625 3.2483 3.2646 3.3504 3.3597 3.7481 3.7707 3.8762 3.8884 4.3146 4.3284 4.5664 4.5839 4.7088 4.7163 4.7930 4.8254 4.9999 5.0155 5.2441 5.2555 5.4098 5.4165 5.6347 5.6373 6.0584 6.0635 10.4413 10.4421 11.0533 11.0574 11.9890 11.9910 12.5112 12.5147 13.3007 13.3044 14.0762 14.0846 14.9137 14.9152 15.8868 15.8907 k = 0.1327 0.2976 0.1184 ( 4674 PWs) bands (ev): -12.0708 -12.0706 -11.6659 -11.6657 -11.3741 -11.3727 -10.9275 -10.9269 -10.4739 -10.4731 -10.3786 -10.3778 0.0358 0.0686 0.3604 0.3966 0.4218 0.4737 0.5143 0.5312 0.6050 0.6709 0.7540 0.7942 0.9027 0.9757 0.9985 1.0248 1.1037 1.1547 1.1765 1.2197 1.4049 1.5034 1.5884 1.6352 1.6387 1.6557 1.7117 1.7538 1.8913 1.9600 2.0468 2.0998 2.1890 2.2044 2.3220 2.3351 2.5804 2.6082 2.8578 2.8661 3.2379 3.2549 3.3504 3.3595 3.7436 3.7718 3.8507 3.8647 4.3016 4.3153 4.5453 4.5623 4.6928 4.7030 4.7895 4.8210 4.9904 5.0069 5.2269 5.2387 5.4004 5.4060 5.6428 5.6451 6.0368 6.0425 10.4909 10.4918 11.0953 11.0996 12.0145 12.0166 12.5410 12.5448 13.3295 13.3334 14.0943 14.1035 14.9625 14.9641 15.8597 15.8643 k = 0.1429 0.2976 0.1184 ( 4674 PWs) bands (ev): -12.0569 -12.0567 -11.6582 -11.6580 -11.3695 -11.3680 -10.9218 -10.9211 -10.4767 -10.4760 -10.3764 -10.3756 0.0378 0.0725 0.3533 0.3892 0.4234 0.4816 0.5227 0.5359 0.6108 0.6777 0.7507 0.7900 0.9007 0.9719 0.9999 1.0230 1.1000 1.1544 1.1709 1.2173 1.3955 1.4975 1.5873 1.6370 1.6442 1.6571 1.7156 1.7565 1.8891 1.9571 2.0494 2.0894 2.1799 2.1965 2.3189 2.3313 2.5572 2.5888 2.8587 2.8676 3.2297 3.2477 3.3499 3.3590 3.7265 3.7582 3.8369 3.8512 4.2892 4.3026 4.5207 4.5369 4.6732 4.6860 4.7911 4.8210 4.9803 4.9976 5.2106 5.2226 5.3907 5.3955 5.6496 5.6517 6.0145 6.0208 10.5430 10.5440 11.1388 11.1433 12.0407 12.0430 12.5716 12.5757 13.3589 13.3630 14.1131 14.1229 15.0131 15.0149 15.8301 15.8352 k = 0.1531 0.2976 0.1184 ( 4670 PWs) bands (ev): -12.0422 -12.0419 -11.6501 -11.6498 -11.3646 -11.3631 -10.9157 -10.9150 -10.4799 -10.4791 -10.3740 -10.3732 0.0398 0.0761 0.3447 0.3795 0.4260 0.4889 0.5316 0.5405 0.6180 0.6849 0.7477 0.7861 0.8977 0.9673 1.0011 1.0209 1.0970 1.1545 1.1658 1.2154 1.3871 1.4914 1.5846 1.6356 1.6517 1.6615 1.7196 1.7590 1.8870 1.9539 2.0513 2.0771 2.1692 2.1941 2.3132 2.3258 2.5346 2.5701 2.8573 2.8669 3.2231 3.2426 3.3490 3.3581 3.6978 3.7291 3.8359 3.8482 4.2769 4.2899 4.4943 4.5094 4.6516 4.6665 4.7948 4.8234 4.9696 4.9878 5.1957 5.2076 5.3808 5.3847 5.6552 5.6573 5.9918 5.9985 10.5973 10.5984 11.1835 11.1882 12.0674 12.0700 12.6028 12.6070 13.3885 13.3928 14.1325 14.1430 15.0645 15.0665 15.7981 15.8038 k = 0.1633 0.2976 0.1184 ( 4676 PWs) bands (ev): -12.0265 -12.0262 -11.6415 -11.6413 -11.3595 -11.3579 -10.9094 -10.9087 -10.4833 -10.4825 -10.3716 -10.3707 0.0415 0.0793 0.3348 0.3680 0.4293 0.4955 0.5406 0.5449 0.6265 0.6925 0.7447 0.7824 0.8939 0.9623 1.0017 1.0187 1.0947 1.1545 1.1617 1.2140 1.3796 1.4851 1.5808 1.6324 1.6600 1.6680 1.7239 1.7613 1.8854 1.9509 2.0497 2.0669 2.1581 2.1944 2.3042 2.3179 2.5143 2.5535 2.8535 2.8637 3.2174 3.2391 3.3477 3.3568 3.6623 3.6923 3.8406 3.8511 4.2641 4.2767 4.4674 4.4819 4.6286 4.6448 4.7991 4.8267 4.9584 4.9773 5.1824 5.1939 5.3706 5.3738 5.6595 5.6618 5.9688 5.9760 10.6536 10.6548 11.2291 11.2339 12.0944 12.0972 12.6340 12.6385 13.4180 13.4225 14.1524 14.1636 15.1155 15.1176 15.7643 15.7703 k = 0.1735 0.2976 0.1184 ( 4676 PWs) bands (ev): -12.0101 -12.0097 -11.6325 -11.6323 -11.3543 -11.3526 -10.9028 -10.9021 -10.4872 -10.4864 -10.3690 -10.3681 0.0430 0.0820 0.3237 0.3549 0.4328 0.5012 0.5491 0.5494 0.6361 0.7002 0.7418 0.7791 0.8896 0.9571 1.0015 1.0164 1.0933 1.1527 1.1607 1.2134 1.3729 1.4787 1.5762 1.6283 1.6674 1.6767 1.7287 1.7636 1.8845 1.9481 2.0400 2.0635 2.1476 2.1946 2.2922 2.3068 2.4978 2.5401 2.8471 2.8580 3.2118 3.2363 3.3458 3.3556 3.6241 3.6532 3.8468 3.8565 4.2505 4.2624 4.4417 4.4560 4.6041 4.6211 4.8029 4.8298 4.9469 4.9664 5.1708 5.1817 5.3602 5.3628 5.6627 5.6652 5.9456 5.9534 10.7116 10.7130 11.2753 11.2802 12.1214 12.1245 12.6650 12.6697 13.4469 13.4515 14.1727 14.1845 15.1643 15.1665 15.7293 15.7354 k = 0.1837 0.2976 0.1184 ( 4680 PWs) bands (ev): -11.9928 -11.9924 -11.6232 -11.6230 -11.3488 -11.3471 -10.8960 -10.8952 -10.4914 -10.4905 -10.3663 -10.3655 0.0442 0.0842 0.3113 0.3403 0.4365 0.5060 0.5533 0.5575 0.6467 0.7076 0.7389 0.7763 0.8855 0.9522 1.0004 1.0142 1.0927 1.1494 1.1623 1.2136 1.3670 1.4721 1.5711 1.6236 1.6733 1.6872 1.7339 1.7660 1.8845 1.9459 2.0266 2.0627 2.1378 2.1926 2.2788 2.2921 2.4862 2.5304 2.8380 2.8496 3.2052 3.2333 3.3437 3.3547 3.5857 3.6140 3.8529 3.8624 4.2356 4.2469 4.4184 4.4328 4.5782 4.5954 4.8057 4.8322 4.9354 4.9553 5.1608 5.1710 5.3495 5.3516 5.6648 5.6676 5.9225 5.9308 10.7713 10.7728 11.3218 11.3269 12.1484 12.1517 12.6954 12.7003 13.4749 13.4797 14.1933 14.2058 15.2087 15.2109 15.6939 15.6999 k = 0.1939 0.2976 0.1184 ( 4680 PWs) bands (ev): -11.9748 -11.9744 -11.6135 -11.6133 -11.3432 -11.3414 -10.8890 -10.8882 -10.4959 -10.4951 -10.3636 -10.3627 0.0451 0.0858 0.2979 0.3243 0.4402 0.5100 0.5572 0.5648 0.6580 0.7140 0.7359 0.7744 0.8820 0.9477 0.9987 1.0118 1.0931 1.1462 1.1651 1.2146 1.3618 1.4653 1.5656 1.6187 1.6779 1.6983 1.7398 1.7689 1.8855 1.9445 2.0127 2.0607 2.1283 2.1863 2.2649 2.2762 2.4796 2.5244 2.8261 2.8383 3.1965 3.2287 3.3414 3.3545 3.5488 3.5763 3.8581 3.8677 4.2194 4.2302 4.3983 4.4130 4.5512 4.5683 4.8069 4.8332 4.9241 4.9440 5.1522 5.1615 5.3387 5.3403 5.6660 5.6690 5.8997 5.9084 10.8323 10.8340 11.3684 11.3736 12.1751 12.1787 12.7249 12.7300 13.5015 13.5065 14.2142 14.2274 15.2458 15.2478 15.6594 15.6649 k = 0.2041 0.2976 0.1184 ( 4678 PWs) bands (ev): -11.9561 -11.9556 -11.6034 -11.6033 -11.3375 -11.3356 -10.8819 -10.8811 -10.5008 -10.5000 -10.3608 -10.3599 0.0456 0.0868 0.2834 0.3071 0.4438 0.5132 0.5611 0.5709 0.6697 0.7187 0.7326 0.7737 0.8799 0.9441 0.9967 1.0092 1.0943 1.1437 1.1685 1.2163 1.3572 1.4583 1.5600 1.6138 1.6814 1.7090 1.7461 1.7727 1.8873 1.9441 1.9993 2.0563 2.1179 2.1755 2.2465 2.2667 2.4776 2.5219 2.8112 2.8242 3.1848 3.2213 3.3395 3.3551 3.5149 3.5414 3.8620 3.8717 4.2025 4.2129 4.3815 4.3964 4.5235 4.5399 4.8063 4.8324 4.9132 4.9327 5.1446 5.1532 5.3278 5.3291 5.6661 5.6694 5.8772 5.8864 10.8945 10.8964 11.4148 11.4201 12.2013 12.2052 12.7532 12.7584 13.5266 13.5316 14.2350 14.2489 15.2721 15.2742 15.6268 15.6318 k = 0.2143 0.2976 0.1184 ( 4680 PWs) bands (ev): -11.9367 -11.9362 -11.5932 -11.5930 -11.3316 -11.3298 -10.8746 -10.8738 -10.5061 -10.5053 -10.3580 -10.3571 0.0457 0.0870 0.2680 0.2889 0.4472 0.5154 0.5648 0.5759 0.6809 0.7208 0.7291 0.7745 0.8799 0.9417 0.9947 1.0063 1.0963 1.1423 1.1724 1.2186 1.3532 1.4509 1.5545 1.6090 1.6837 1.7183 1.7528 1.7783 1.8897 1.9449 1.9866 2.0487 2.1045 2.1633 2.2250 2.2641 2.4792 2.5223 2.7934 2.8073 3.1692 3.2098 3.3382 3.3562 3.4853 3.5105 3.8640 3.8738 4.1856 4.1957 4.3678 4.3827 4.4956 4.5111 4.8034 4.8294 4.9029 4.9214 5.1379 5.1457 5.3170 5.3181 5.6655 5.6690 5.8553 5.8649 10.9578 10.9598 11.4609 11.4663 12.2268 12.2310 12.7798 12.7853 13.5497 13.5548 14.2556 14.2702 15.2837 15.2871 15.5967 15.6027 k = 0.2245 0.2976 0.1184 ( 4680 PWs) bands (ev): -11.9167 -11.9162 -11.5826 -11.5825 -11.3257 -11.3238 -10.8673 -10.8665 -10.5118 -10.5109 -10.3551 -10.3542 0.0452 0.0864 0.2520 0.2698 0.4504 0.5168 0.5683 0.5796 0.6901 0.7200 0.7266 0.7767 0.8822 0.9408 0.9930 1.0031 1.0989 1.1420 1.1765 1.2215 1.3495 1.4432 1.5494 1.6044 1.6847 1.7252 1.7597 1.7864 1.8924 1.9466 1.9748 2.0372 2.0875 2.1520 2.2048 2.2650 2.4835 2.5250 2.7728 2.7876 3.1494 3.1933 3.3375 3.3570 3.4611 3.4848 3.8637 3.8736 4.1697 4.1795 4.3565 4.3711 4.4685 4.4824 4.7980 4.8239 4.8933 4.9103 5.1316 5.1388 5.3065 5.3074 5.6640 5.6678 5.8341 5.8441 11.0220 11.0242 11.5063 11.5118 12.2517 12.2562 12.8046 12.8103 13.5705 13.5757 14.2757 14.2910 15.2788 15.2845 15.5692 15.5780 k = 0.2347 0.2976 0.1184 ( 4684 PWs) bands (ev): -11.8961 -11.8956 -11.5718 -11.5717 -11.3197 -11.3178 -10.8599 -10.8592 -10.5178 -10.5170 -10.3522 -10.3513 0.0441 0.0850 0.2355 0.2501 0.4531 0.5173 0.5713 0.5822 0.6937 0.7190 0.7260 0.7795 0.8870 0.9415 0.9920 0.9998 1.1019 1.1430 1.1807 1.2248 1.3463 1.4351 1.5449 1.6001 1.6845 1.7296 1.7667 1.7969 1.8950 1.9482 1.9649 2.0212 2.0694 2.1403 2.1899 2.2676 2.4898 2.5297 2.7495 2.7655 3.1255 3.1719 3.3367 3.3563 3.4435 3.4648 3.8608 3.8707 4.1557 4.1651 4.3469 4.3607 4.4430 4.4547 4.7900 4.8158 4.8841 4.8992 5.1256 5.1322 5.2964 5.2971 5.6619 5.6659 5.8138 5.8240 11.0869 11.0893 11.5509 11.5565 12.2756 12.2804 12.8273 12.8332 13.5888 13.5941 14.2949 14.3109 15.2582 15.2662 15.5441 15.5564 k = 0.2449 0.2976 0.1184 ( 4686 PWs) bands (ev): -11.8750 -11.8744 -11.5609 -11.5608 -11.3137 -11.3117 -10.8526 -10.8518 -10.5242 -10.5234 -10.3493 -10.3484 0.0423 0.0825 0.2188 0.2301 0.4554 0.5169 0.5733 0.5839 0.6886 0.7197 0.7286 0.7827 0.8939 0.9441 0.9919 0.9968 1.1053 1.1452 1.1850 1.2284 1.3433 1.4267 1.5412 1.5964 1.6831 1.7317 1.7738 1.8089 1.8972 1.9455 1.9600 2.0012 2.0533 2.1261 2.1820 2.2710 2.4976 2.5359 2.7239 2.7412 3.0979 3.1460 3.3352 3.3529 3.4330 3.4513 3.8552 3.8649 4.1442 4.1530 4.3378 4.3505 4.4204 4.4291 4.7794 4.8051 4.8751 4.8883 5.1194 5.1256 5.2871 5.2876 5.6591 5.6632 5.7945 5.8049 11.1524 11.1550 11.5944 11.6001 12.2986 12.3037 12.8476 12.8537 13.6045 13.6098 14.3127 14.3295 15.2247 15.2342 15.5212 15.5362 k = 0.2551 0.2976 0.1184 ( 4686 PWs) bands (ev): -11.8535 -11.8529 -11.5498 -11.5497 -11.3077 -11.3057 -10.8454 -10.8446 -10.5310 -10.5302 -10.3464 -10.3455 0.0397 0.0788 0.2024 0.2102 0.4572 0.5157 0.5737 0.5849 0.6782 0.7186 0.7348 0.7861 0.9023 0.9484 0.9924 0.9951 1.1090 1.1484 1.1894 1.2322 1.3406 1.4181 1.5384 1.5932 1.6801 1.7321 1.7809 1.8211 1.8985 1.9374 1.9577 1.9817 2.0406 2.1110 2.1796 2.2747 2.5064 2.5433 2.6964 2.7153 3.0673 3.1165 3.3322 3.3468 3.4286 3.4439 3.8469 3.8563 4.1353 4.1437 4.3278 4.3395 4.4020 4.4068 4.7663 4.7921 4.8659 4.8772 5.1128 5.1187 5.2786 5.2790 5.6557 5.6599 5.7763 5.7868 11.2185 11.2212 11.6368 11.6426 12.3205 12.3260 12.8655 12.8719 13.6174 13.6227 14.3287 14.3461 15.1813 15.1914 15.5002 15.5172 k = 0.2653 0.2976 0.1184 ( 4682 PWs) bands (ev): -11.8315 -11.8309 -11.5386 -11.5385 -11.3016 -11.2997 -10.8383 -10.8375 -10.5381 -10.5373 -10.3436 -10.3427 0.0361 0.0738 0.1867 0.1909 0.4585 0.5139 0.5717 0.5854 0.6654 0.7164 0.7414 0.7900 0.9112 0.9543 0.9927 0.9966 1.1131 1.1526 1.1936 1.2361 1.3380 1.4094 1.5366 1.5907 1.6757 1.7312 1.7880 1.8318 1.8983 1.9279 1.9478 1.9712 2.0324 2.0978 2.1800 2.2787 2.5158 2.5518 2.6675 2.6883 3.0344 3.0843 3.3280 3.3392 3.4281 3.4419 3.8360 3.8452 4.1291 4.1370 4.3157 4.3273 4.3878 4.3897 4.7511 4.7770 4.8561 4.8659 5.1054 5.1112 5.2711 5.2716 5.6518 5.6560 5.7595 5.7698 11.2850 11.2879 11.6778 11.6837 12.3414 12.3472 12.8808 12.8874 13.6274 13.6327 14.3423 14.3604 15.1303 15.1404 15.4820 15.5001 k = 0.2755 0.2976 0.1184 ( 4682 PWs) bands (ev): -11.8093 -11.8087 -11.5273 -11.5272 -11.2956 -11.2937 -10.8314 -10.8306 -10.5455 -10.5447 -10.3408 -10.3398 0.0313 0.0670 0.1720 0.1726 0.4592 0.5113 0.5671 0.5846 0.6521 0.7134 0.7473 0.7943 0.9196 0.9616 0.9939 1.0006 1.1174 1.1575 1.1978 1.2401 1.3356 1.4007 1.5360 1.5888 1.6694 1.7291 1.7949 1.8381 1.8953 1.9175 1.9371 1.9649 2.0293 2.0881 2.1818 2.2827 2.5254 2.5611 2.6379 2.6609 2.9999 3.0503 3.3229 3.3313 3.4296 3.4436 3.8229 3.8318 4.1252 4.1328 4.3017 4.3139 4.3757 4.3795 4.7342 4.7601 4.8453 4.8541 5.0971 5.1029 5.2646 5.2657 5.6475 5.6515 5.7440 5.7540 11.3518 11.3549 11.7172 11.7233 12.3612 12.3673 12.8933 12.9002 13.6345 13.6398 14.3530 14.3717 15.0737 15.0831 15.4678 15.4864 k = 0.2857 0.2976 0.1184 ( 4674 PWs) bands (ev): -11.7868 -11.7862 -11.5160 -11.5158 -11.2897 -11.2878 -10.8248 -10.8240 -10.5531 -10.5524 -10.3380 -10.3371 0.0251 0.0583 0.1557 0.1590 0.4594 0.5082 0.5598 0.5810 0.6402 0.7098 0.7526 0.7990 0.9272 0.9699 0.9972 1.0067 1.1218 1.1630 1.2018 1.2441 1.3332 1.3924 1.5363 1.5876 1.6611 1.7259 1.8016 1.8366 1.8897 1.9088 1.9334 1.9576 2.0293 2.0837 2.1843 2.2866 2.5345 2.5707 2.6086 2.6338 2.9645 3.0152 3.3175 3.3239 3.4320 3.4472 3.8082 3.8167 4.1233 4.1308 4.2874 4.3001 4.3671 4.3725 4.7160 4.7419 4.8336 4.8416 5.0877 5.0936 5.2596 5.2612 5.6427 5.6465 5.7300 5.7396 11.4188 11.4221 11.7550 11.7612 12.3799 12.3862 12.9032 12.9104 13.6387 13.6439 14.3603 14.3795 15.0132 15.0216 15.4584 15.4777 k = 0.2959 0.2976 0.1184 ( 4672 PWs) bands (ev): -11.7642 -11.7635 -11.5046 -11.5044 -11.2838 -11.2819 -10.8185 -10.8178 -10.5610 -10.5602 -10.3353 -10.3344 0.0174 0.0475 0.1410 0.1477 0.4591 0.5045 0.5497 0.5728 0.6314 0.7055 0.7575 0.8038 0.9337 0.9787 1.0023 1.0148 1.1265 1.1689 1.2059 1.2478 1.3308 1.3845 1.5377 1.5871 1.6508 1.7214 1.8079 1.8271 1.8822 1.9045 1.9340 1.9517 2.0289 2.0856 2.1870 2.2904 2.5406 2.5773 2.5856 2.6080 2.9287 2.9797 3.3120 3.3174 3.4348 3.4515 3.7922 3.8005 4.1228 4.1304 4.2743 4.2871 4.3609 4.3667 4.6971 4.7227 4.8207 4.8282 5.0770 5.0830 5.2559 5.2581 5.6376 5.6410 5.7175 5.7265 11.4860 11.4894 11.7909 11.7972 12.3975 12.4042 12.9103 12.9179 13.6400 13.6451 14.3639 14.3834 14.9504 14.9577 15.4521 15.4745 k = 0.3061 0.2976 0.1184 ( 4666 PWs) bands (ev): -11.7415 -11.7408 -11.4933 -11.4930 -11.2781 -11.2762 -10.8127 -10.8120 -10.5690 -10.5682 -10.3327 -10.3318 0.0082 0.0350 0.1285 0.1382 0.4582 0.5001 0.5368 0.5602 0.6265 0.7005 0.7625 0.8087 0.9394 0.9878 1.0089 1.0247 1.1311 1.1751 1.2100 1.2513 1.3284 1.3773 1.5399 1.5872 1.6385 1.7152 1.8119 1.8163 1.8727 1.9023 1.9351 1.9509 2.0269 2.0932 2.1898 2.2941 2.5328 2.5669 2.5838 2.5941 2.8930 2.9443 3.3067 3.3121 3.4376 3.4557 3.7754 3.7834 4.1236 4.1315 4.2634 4.2760 4.3555 4.3610 4.6779 4.7032 4.8068 4.8139 5.0652 5.0713 5.2535 5.2563 5.6321 5.6351 5.7066 5.7147 11.5532 11.5568 11.8248 11.8313 12.4142 12.4211 12.9147 12.9227 13.6384 13.6434 14.3631 14.3828 14.8869 14.8932 15.4102 15.4173 k = 0.3163 0.2976 0.1184 ( 4660 PWs) bands (ev): -11.7189 -11.7181 -11.4820 -11.4816 -11.2724 -11.2706 -10.8074 -10.8067 -10.5770 -10.5763 -10.3301 -10.3293 -0.0024 0.0210 0.1181 0.1301 0.4569 0.4948 0.5213 0.5450 0.6241 0.6949 0.7677 0.8133 0.9449 0.9971 1.0165 1.0358 1.1357 1.1815 1.2143 1.2543 1.3259 1.3709 1.5426 1.5878 1.6243 1.7070 1.8019 1.8192 1.8629 1.8992 1.9356 1.9552 2.0247 2.1041 2.1927 2.2975 2.5094 2.5553 2.5783 2.6039 2.8577 2.9094 3.3016 3.3078 3.4401 3.4595 3.7581 3.7659 4.1254 4.1336 4.2552 4.2675 4.3495 4.3546 4.6592 4.6839 4.7917 4.7987 5.0523 5.0584 5.2524 5.2556 5.6263 5.6288 5.6970 5.7043 11.6204 11.6242 11.8566 11.8633 12.4299 12.4370 12.9166 12.9250 13.6340 13.6389 14.3577 14.3774 14.8245 14.8301 15.3388 15.3427 k = 0.3265 0.2976 0.1184 ( 4658 PWs) bands (ev): -11.6964 -11.6955 -11.4707 -11.4703 -11.2669 -11.2651 -10.8028 -10.8021 -10.5849 -10.5843 -10.3277 -10.3269 -0.0139 0.0062 0.1097 0.1232 0.4549 0.4880 0.5037 0.5295 0.6229 0.6886 0.7732 0.8176 0.9505 1.0063 1.0246 1.0477 1.1402 1.1878 1.2188 1.2568 1.3235 1.3655 1.5454 1.5891 1.6086 1.6970 1.7928 1.8215 1.8549 1.8946 1.9366 1.9605 2.0237 2.1164 2.1955 2.3005 2.4837 2.5367 2.5853 2.6143 2.8231 2.8753 3.2968 3.3045 3.4422 3.4629 3.7406 3.7482 4.1281 4.1366 4.2499 4.2616 4.3416 4.3468 4.6416 4.6656 4.7756 4.7825 5.0384 5.0444 5.2523 5.2558 5.6204 5.6224 5.6888 5.6952 11.6876 11.6914 11.8863 11.8933 12.4448 12.4522 12.9161 12.9249 13.6268 13.6315 14.3473 14.3666 14.7652 14.7703 15.2683 15.2710 k = 0.3367 0.2976 0.1184 ( 4650 PWs) bands (ev): -11.6741 -11.6733 -11.4595 -11.4590 -11.2615 -11.2598 -10.7990 -10.7983 -10.5927 -10.5921 -10.3254 -10.3246 -0.0260 -0.0089 0.1026 0.1170 0.4517 0.4780 0.4859 0.5157 0.6221 0.6819 0.7789 0.8216 0.9567 1.0155 1.0331 1.0596 1.1444 1.1940 1.2239 1.2584 1.3213 1.3611 1.5475 1.5904 1.5928 1.6855 1.7864 1.8197 1.8511 1.8896 1.9384 1.9643 2.0253 2.1285 2.1984 2.3028 2.4595 2.5200 2.5937 2.6245 2.7897 2.8424 3.2927 3.3020 3.4442 3.4659 3.7231 3.7304 4.1315 4.1405 4.2476 4.2582 4.3310 4.3371 4.6257 4.6491 4.7586 4.7655 5.0237 5.0295 5.2530 5.2569 5.6144 5.6160 5.6818 5.6873 11.7545 11.7582 11.9139 11.9212 12.4589 12.4666 12.9133 12.9226 13.6165 13.6211 14.3316 14.3501 14.7108 14.7158 15.2003 15.2022 k = 0.3469 0.2976 0.1184 ( 4650 PWs) bands (ev): -11.6523 -11.6514 -11.4485 -11.4479 -11.2563 -11.2546 -10.7961 -10.7954 -10.6002 -10.5996 -10.3232 -10.3224 -0.0380 -0.0236 0.0965 0.1113 0.4448 0.4643 0.4708 0.5050 0.6211 0.6746 0.7847 0.8253 0.9634 1.0244 1.0417 1.0713 1.1484 1.1998 1.2295 1.2591 1.3196 1.3576 1.5475 1.5766 1.5935 1.6736 1.7824 1.8136 1.8516 1.8847 1.9403 1.9653 2.0298 2.1394 2.2014 2.3043 2.4382 2.5065 2.6017 2.6341 2.7577 2.8109 3.2890 3.3002 3.4465 3.4690 3.7057 3.7126 4.1357 4.1451 4.2478 4.2568 4.3174 4.3247 4.6123 4.6351 4.7408 4.7478 5.0082 5.0138 5.2545 5.2585 5.6083 5.6096 5.6757 5.6804 11.8208 11.8242 11.9394 11.9475 12.4725 12.4804 12.9085 12.9182 13.6028 13.6074 14.3105 14.3277 14.6631 14.6680 15.1349 15.1363 k = 0.3571 0.2976 0.1184 ( 4644 PWs) bands (ev): -11.6310 -11.6300 -11.4376 -11.4369 -11.2511 -11.2496 -10.7943 -10.7936 -10.6071 -10.6065 -10.3211 -10.3204 -0.0497 -0.0376 0.0909 0.1057 0.4300 0.4508 0.4601 0.4974 0.6197 0.6669 0.7906 0.8287 0.9709 1.0328 1.0504 1.0823 1.1521 1.2051 1.2357 1.2591 1.3187 1.3550 1.5418 1.5650 1.5966 1.6621 1.7799 1.8059 1.8538 1.8807 1.9420 1.9641 2.0368 2.1479 2.2047 2.3046 2.4211 2.4966 2.6088 2.6428 2.7276 2.7811 3.2859 3.2989 3.4493 3.4725 3.6885 3.6949 4.1406 4.1505 4.2500 4.2557 4.3020 4.3095 4.6015 4.6239 4.7225 4.7295 4.9921 4.9974 5.2564 5.2606 5.6024 5.6036 5.6705 5.6745 11.8858 11.8881 11.9638 11.9733 12.4856 12.4937 12.9020 12.9121 13.5855 13.5902 14.2848 14.3000 14.6231 14.6277 15.0720 15.0730 k = 0.3673 0.2976 0.1184 ( 4636 PWs) bands (ev): -11.6104 -11.6094 -11.4268 -11.4261 -11.2462 -11.2447 -10.7936 -10.7929 -10.6135 -10.6129 -10.3192 -10.3185 -0.0607 -0.0506 0.0852 0.1000 0.4109 0.4348 0.4554 0.4918 0.6177 0.6588 0.7963 0.8317 0.9789 1.0406 1.0591 1.0923 1.1558 1.2097 1.2417 1.2589 1.3187 1.3532 1.5290 1.5586 1.6003 1.6522 1.7780 1.7985 1.8555 1.8783 1.9433 1.9611 2.0451 2.1531 2.2085 2.3037 2.4089 2.4902 2.6142 2.6504 2.7000 2.7533 3.2835 3.2980 3.4533 3.4768 3.6716 3.6773 4.1459 4.1565 4.2492 4.2534 4.2896 4.2924 4.5934 4.6157 4.7039 4.7111 4.9754 4.9805 5.2587 5.2629 5.5967 5.5978 5.6661 5.6695 11.9439 11.9468 11.9906 12.0034 12.4983 12.5067 12.8939 12.9044 13.5640 13.5689 14.2558 14.2686 14.5909 14.5950 15.0117 15.0126 k = 0.3776 0.2976 0.1184 ( 4648 PWs) bands (ev): -11.5906 -11.5896 -11.4162 -11.4155 -11.2414 -11.2400 -10.7942 -10.7934 -10.6191 -10.6185 -10.3173 -10.3167 -0.0708 -0.0624 0.0792 0.0939 0.3914 0.4181 0.4527 0.4872 0.6150 0.6503 0.8018 0.8344 0.9875 1.0478 1.0678 1.1011 1.1596 1.2134 1.2457 1.2606 1.3195 1.3520 1.5132 1.5530 1.6039 1.6447 1.7754 1.7927 1.8555 1.8778 1.9440 1.9572 2.0540 2.1545 2.2127 2.3019 2.4020 2.4871 2.6168 2.6565 2.6759 2.7278 3.2817 3.2975 3.4588 3.4823 3.6551 3.6599 4.1513 4.1630 4.2330 4.2496 4.2802 4.2867 4.5877 4.6100 4.6855 4.6930 4.9583 4.9631 5.2613 5.2654 5.5913 5.5924 5.6622 5.6652 11.9824 11.9863 12.0352 12.0491 12.5108 12.5195 12.8846 12.8955 13.5378 13.5430 14.2256 14.2358 14.5654 14.5690 14.9538 14.9549 k = 0.3878 0.2976 0.1184 ( 4654 PWs) bands (ev): -11.5718 -11.5708 -11.4059 -11.4051 -11.2367 -11.2355 -10.7960 -10.7952 -10.6238 -10.6233 -10.3157 -10.3151 -0.0797 -0.0727 0.0726 0.0873 0.3729 0.4019 0.4508 0.4833 0.6115 0.6415 0.8071 0.8368 0.9965 1.0543 1.0762 1.1084 1.1637 1.2160 1.2462 1.2659 1.3212 1.3516 1.4971 1.5460 1.6066 1.6404 1.7711 1.7899 1.8541 1.8788 1.9442 1.9528 2.0628 2.1520 2.2176 2.2998 2.4002 2.4867 2.6141 2.6547 2.6632 2.7056 3.2807 3.2974 3.4660 3.4892 3.6392 3.6431 4.1552 4.1686 4.2095 4.2321 4.2818 4.2910 4.5834 4.6055 4.6683 4.6757 4.9409 4.9455 5.2640 5.2680 5.5863 5.5874 5.6589 5.6615 12.0041 12.0074 12.0960 12.1083 12.5232 12.5322 12.8744 12.8856 13.5064 13.5120 14.1965 14.2042 14.5454 14.5485 14.8986 14.9000 k = 0.3980 0.2976 0.1184 ( 4654 PWs) bands (ev): -11.5542 -11.5532 -11.3958 -11.3949 -11.2322 -11.2311 -10.7990 -10.7983 -10.6277 -10.6271 -10.3141 -10.3136 -0.0873 -0.0815 0.0651 0.0799 0.3563 0.3870 0.4494 0.4799 0.6072 0.6326 0.8121 0.8389 1.0059 1.0602 1.0843 1.1139 1.1685 1.2173 1.2453 1.2732 1.3234 1.3519 1.4816 1.5371 1.6079 1.6393 1.7654 1.7894 1.8521 1.8806 1.9434 1.9486 2.0712 2.1463 2.2231 2.2980 2.4025 2.4884 2.6040 2.6431 2.6644 2.6885 3.2805 3.2977 3.4750 3.4976 3.6239 3.6276 4.1520 4.1663 4.1915 4.2122 4.2902 4.2988 4.5794 4.6001 4.6543 4.6605 4.9232 4.9277 5.2667 5.2706 5.5818 5.5828 5.6561 5.6583 12.0193 12.0225 12.1598 12.1716 12.5356 12.5451 12.8637 12.8751 13.4696 13.4756 14.1704 14.1759 14.5296 14.5322 14.8461 14.8479 k = 0.4082 0.2976 0.1184 ( 4652 PWs) bands (ev): -11.5379 -11.5369 -11.3860 -11.3852 -11.2279 -11.2268 -10.8031 -10.8024 -10.6306 -10.6301 -10.3127 -10.3122 -0.0936 -0.0886 0.0567 0.0716 0.3420 0.3735 0.4483 0.4769 0.6023 0.6237 0.8167 0.8407 1.0157 1.0657 1.0918 1.1177 1.1739 1.2170 1.2448 1.2809 1.3262 1.3529 1.4670 1.5269 1.6079 1.6406 1.7595 1.7904 1.8501 1.8822 1.9412 1.9453 2.0786 2.1383 2.2295 2.2970 2.4078 2.4915 2.5893 2.6326 2.6629 2.6794 3.2812 3.2985 3.4850 3.5069 3.6096 3.6148 4.1302 4.1467 4.1919 4.2039 4.3008 4.3083 4.5738 4.5909 4.6460 4.6490 4.9053 4.9099 5.2693 5.2730 5.5777 5.5786 5.6537 5.6556 12.0313 12.0344 12.2234 12.2354 12.5484 12.5584 12.8527 12.8643 13.4274 13.4338 14.1486 14.1522 14.5171 14.5193 14.7965 14.7986 k = 0.4184 0.2976 0.1184 ( 4644 PWs) bands (ev): -11.5231 -11.5221 -11.3767 -11.3759 -11.2236 -11.2228 -10.8081 -10.8074 -10.6328 -10.6323 -10.3115 -10.3110 -0.0985 -0.0941 0.0475 0.0625 0.3303 0.3617 0.4477 0.4742 0.5968 0.6149 0.8210 0.8421 1.0256 1.0707 1.0985 1.1200 1.1797 1.2155 1.2452 1.2879 1.3296 1.3548 1.4536 1.5159 1.6073 1.6427 1.7543 1.7919 1.8484 1.8835 1.9377 1.9428 2.0849 2.1292 2.2367 2.2968 2.4152 2.4949 2.5746 2.6197 2.6599 2.6766 3.2829 3.2999 3.4945 3.5158 3.5976 3.6065 4.0974 4.1172 4.1979 4.2073 4.3127 4.3191 4.5650 4.5769 4.6424 4.6446 4.8874 4.8921 5.2719 5.2753 5.5741 5.5749 5.6517 5.6533 12.0409 12.0439 12.2859 12.2983 12.5620 12.5727 12.8417 12.8535 13.3802 13.3867 14.1317 14.1338 14.5071 14.5089 14.7501 14.7525 k = 0.4286 0.2976 0.1184 ( 4644 PWs) bands (ev): -11.5099 -11.5090 -11.3679 -11.3671 -11.2196 -11.2189 -10.8136 -10.8129 -10.6343 -10.6338 -10.3104 -10.3100 -0.1020 -0.0979 0.0377 0.0524 0.3211 0.3516 0.4474 0.4717 0.5909 0.6063 0.8249 0.8432 1.0356 1.0754 1.1041 1.1209 1.1853 1.2132 1.2467 1.2938 1.3333 1.3576 1.4415 1.5043 1.6066 1.6442 1.7504 1.7934 1.8471 1.8844 1.9341 1.9399 2.0896 2.1201 2.2446 2.2972 2.4238 2.4978 2.5621 2.6056 2.6577 2.6751 3.2856 3.3019 3.5010 3.5213 3.5916 3.6050 4.0614 4.0828 4.2055 4.2144 4.3252 4.3307 4.5525 4.5597 4.6414 4.6474 4.8696 4.8746 5.2743 5.2774 5.5709 5.5717 5.6499 5.6514 12.0487 12.0515 12.3459 12.3591 12.5772 12.5888 12.8312 12.8431 13.3286 13.3350 14.1196 14.1207 14.4992 14.5006 14.7071 14.7097 k = 0.4388 0.2976 0.1184 ( 4646 PWs) bands (ev): -11.4983 -11.4975 -11.3598 -11.3591 -11.2158 -11.2152 -10.8194 -10.8188 -10.6352 -10.6348 -10.3094 -10.3091 -0.1043 -0.1002 0.0277 0.0418 0.3146 0.3430 0.4476 0.4695 0.5849 0.5981 0.8284 0.8440 1.0455 1.0798 1.1085 1.1209 1.1903 1.2108 1.2492 1.2979 1.3374 1.3612 1.4309 1.4926 1.6061 1.6442 1.7485 1.7945 1.8465 1.8851 1.9308 1.9363 2.0928 2.1119 2.2530 2.2980 2.4327 2.4990 2.5530 2.5920 2.6559 2.6732 3.2892 3.3044 3.5020 3.5201 3.5956 3.6123 4.0245 4.0465 4.2136 4.2222 4.3381 4.3430 4.5374 4.5413 4.6446 4.6530 4.8522 4.8575 5.2765 5.2792 5.5681 5.5688 5.6485 5.6498 12.0550 12.0574 12.4016 12.4153 12.5959 12.6084 12.8215 12.8335 13.2732 13.2794 14.1118 14.1123 14.4929 14.4939 14.6679 14.6707 k = 0.4490 0.2976 0.1184 ( 4650 PWs) bands (ev): -11.4885 -11.4878 -11.3526 -11.3520 -11.2122 -11.2118 -10.8252 -10.8246 -10.6357 -10.6354 -10.3086 -10.3083 -0.1052 -0.1012 0.0178 0.0309 0.3103 0.3358 0.4483 0.4674 0.5792 0.5905 0.8316 0.8445 1.0552 1.0839 1.1114 1.1202 1.1942 1.2087 1.2527 1.2999 1.3418 1.3654 1.4223 1.4811 1.6062 1.6425 1.7486 1.7945 1.8472 1.8857 1.9277 1.9319 2.0944 2.1052 2.2617 2.2990 2.4416 2.4978 2.5480 2.5800 2.6543 2.6706 3.2936 3.3074 3.4977 3.5127 3.6095 3.6273 3.9875 4.0095 4.2216 4.2297 4.3512 4.3557 4.5209 4.5227 4.6506 4.6602 4.8354 4.8410 5.2784 5.2807 5.5658 5.5665 5.6474 5.6484 12.0599 12.0620 12.4501 12.4636 12.6210 12.6337 12.8130 12.8252 13.2149 13.2207 14.1075 14.1081 14.4880 14.4886 14.6329 14.6357 k = 0.4592 0.2976 0.1184 ( 4650 PWs) bands (ev): -11.4805 -11.4799 -11.3464 -11.3459 -11.2091 -11.2087 -10.8304 -10.8300 -10.6360 -10.6357 -10.3079 -10.3077 -0.1050 -0.1011 0.0087 0.0202 0.3081 0.3297 0.4494 0.4654 0.5742 0.5836 0.8344 0.8447 1.0646 1.0877 1.1128 1.1188 1.1969 1.2073 1.2574 1.2997 1.3465 1.3692 1.4165 1.4697 1.6070 1.6391 1.7509 1.7929 1.8495 1.8859 1.9246 1.9271 2.0947 2.1003 2.2701 2.2998 2.4498 2.4945 2.5462 2.5699 2.6530 2.6675 3.2986 3.3105 3.4908 3.5027 3.6297 3.6474 3.9515 3.9728 4.2291 4.2363 4.3643 4.3688 4.5036 4.5050 4.6583 4.6680 4.8197 4.8253 5.2801 5.2820 5.5640 5.5645 5.6465 5.6474 12.0636 12.0654 12.4884 12.5000 12.6553 12.6675 12.8066 12.8192 13.1545 13.1597 14.1060 14.1067 14.4845 14.4847 14.6028 14.6055 k = 0.4694 0.2976 0.1184 ( 4648 PWs) bands (ev): -11.4742 -11.4737 -11.3414 -11.3410 -11.2064 -11.2062 -10.8349 -10.8346 -10.6360 -10.6358 -10.3074 -10.3072 -0.1040 -0.1004 0.0009 0.0104 0.3076 0.3245 0.4509 0.4634 0.5702 0.5776 0.8369 0.8445 1.0734 1.0910 1.1129 1.1170 1.1986 1.2063 1.2630 1.2976 1.3513 1.3714 1.4142 1.4588 1.6087 1.6345 1.7548 1.7895 1.8537 1.8854 1.9212 1.9231 2.0938 2.0975 2.2780 2.3001 2.4573 2.4901 2.5463 2.5621 2.6521 2.6640 3.3038 3.3133 3.4835 3.4925 3.6529 3.6697 3.9178 3.9375 4.2357 4.2415 4.3772 4.3818 4.4864 4.4885 4.6668 4.6757 4.8057 4.8111 5.2814 5.2829 5.5626 5.5630 5.6459 5.6465 12.0664 12.0678 12.5151 12.5236 12.6971 12.7091 12.8040 12.8176 13.0930 13.0972 14.1064 14.1071 14.4819 14.4822 14.5781 14.5805 k = 0.4796 0.2976 0.1184 ( 4650 PWs) bands (ev): -11.4697 -11.4694 -11.3377 -11.3374 -11.2044 -11.2042 -10.8384 -10.8381 -10.6360 -10.6359 -10.3070 -10.3069 -0.1024 -0.0997 -0.0048 0.0021 0.3084 0.3200 0.4527 0.4614 0.5675 0.5726 0.8389 0.8440 1.0814 1.0935 1.1120 1.1147 1.1999 1.2052 1.2693 1.2938 1.3560 1.3712 1.4162 1.4483 1.6112 1.6293 1.7601 1.7846 1.8595 1.8832 1.9179 1.9203 2.0928 2.0957 2.2850 2.2996 2.4638 2.4852 2.5472 2.5566 2.6519 2.6604 3.3086 3.3154 3.4777 3.4838 3.6766 3.6911 3.8889 3.9055 4.2411 4.2452 4.3899 4.3941 4.4707 4.4734 4.6751 4.6822 4.7944 4.7990 5.2825 5.2835 5.5616 5.5618 5.6455 5.6459 12.0684 12.0693 12.5319 12.5373 12.7370 12.7486 12.8130 12.8265 13.0312 13.0342 14.1076 14.1082 14.4803 14.4807 14.5597 14.5616 k = 0.4898 0.2976 0.1184 ( 4654 PWs) bands (ev): -11.4670 -11.4668 -11.3354 -11.3352 -11.2031 -11.2030 -10.8405 -10.8404 -10.6359 -10.6359 -10.3068 -10.3067 -0.1008 -0.0993 -0.0077 -0.0041 0.3102 0.3161 0.4548 0.4592 0.5664 0.5690 0.8407 0.8432 1.0881 1.0945 1.1110 1.1124 1.2012 1.2040 1.2760 1.2886 1.3607 1.3687 1.4216 1.4384 1.6146 1.6239 1.7661 1.7788 1.8661 1.8789 1.9163 1.9180 2.0926 2.0943 2.2907 2.2979 2.4696 2.4802 2.5485 2.5528 2.6527 2.6572 3.3126 3.3162 3.4743 3.4774 3.6973 3.7063 3.8695 3.8797 4.2449 4.2471 4.4010 4.4040 4.4585 4.4608 4.6821 4.6861 4.7874 4.7901 5.2832 5.2837 5.5610 5.5612 5.6453 5.6455 12.0696 12.0701 12.5415 12.5440 12.7605 12.7663 12.8493 12.8566 12.9710 12.9723 14.1089 14.1092 14.4797 14.4800 14.5484 14.5494 k = 0.5000 0.2976 0.1184 ( 4656 PWs) bands (ev): -11.4660 -11.4660 -11.3346 -11.3346 -11.2026 -11.2026 -10.8412 -10.8412 -10.6359 -10.6359 -10.3067 -10.3067 -0.0997 -0.0997 -0.0075 -0.0075 0.3128 0.3128 0.4570 0.4570 0.5669 0.5669 0.8421 0.8421 1.0928 1.0928 1.1109 1.1109 1.2026 1.2026 1.2826 1.2826 1.3650 1.3650 1.4293 1.4293 1.6190 1.6190 1.7724 1.7724 1.8729 1.8729 1.9165 1.9165 2.0932 2.0932 2.2950 2.2950 2.4750 2.4750 2.5503 2.5503 2.6545 2.6545 3.3152 3.3152 3.4742 3.4742 3.7090 3.7090 3.8658 3.8658 4.2470 4.2470 4.4071 4.4071 4.4544 4.4544 4.6862 4.6862 4.7859 4.7859 5.2837 5.2837 5.5609 5.5609 5.6453 5.6453 12.0702 12.0702 12.5453 12.5453 12.7678 12.7678 12.8915 12.8915 12.9263 12.9263 14.1095 14.1095 14.4797 14.4797 14.5449 14.5449 k = 0.5000 0.2976 0.1184 ( 4656 PWs) bands (ev): -11.4660 -11.4660 -11.3346 -11.3346 -11.2026 -11.2026 -10.8412 -10.8412 -10.6359 -10.6359 -10.3067 -10.3067 -0.0997 -0.0997 -0.0075 -0.0075 0.3128 0.3128 0.4570 0.4570 0.5669 0.5669 0.8421 0.8421 1.0928 1.0928 1.1109 1.1109 1.2026 1.2026 1.2826 1.2826 1.3650 1.3650 1.4293 1.4293 1.6190 1.6190 1.7724 1.7724 1.8729 1.8729 1.9165 1.9165 2.0932 2.0932 2.2950 2.2950 2.4750 2.4750 2.5503 2.5503 2.6545 2.6545 3.3152 3.3152 3.4742 3.4742 3.7090 3.7090 3.8658 3.8658 4.2470 4.2470 4.4071 4.4071 4.4544 4.4544 4.6862 4.6862 4.7859 4.7859 5.2837 5.2837 5.5609 5.5609 5.6453 5.6453 12.0702 12.0702 12.5453 12.5453 12.7678 12.7678 12.8915 12.8915 12.9263 12.9263 14.1095 14.1095 14.4797 14.4797 14.5449 14.5449 k = 0.5000 0.3011 0.1095 ( 4654 PWs) bands (ev): -11.4661 -11.4660 -11.3345 -11.3345 -11.2027 -11.2027 -10.8412 -10.8412 -10.6359 -10.6359 -10.3067 -10.3066 -0.1001 -0.0993 -0.0075 -0.0064 0.3115 0.3131 0.4561 0.4572 0.5671 0.5674 0.8415 0.8428 1.0896 1.0944 1.1083 1.1138 1.2022 1.2027 1.2768 1.2891 1.3561 1.3739 1.4205 1.4383 1.6181 1.6192 1.7722 1.7732 1.8700 1.8763 1.9103 1.9231 2.0912 2.0950 2.2938 2.2958 2.4723 2.4780 2.5466 2.5527 2.6531 2.6615 3.3147 3.3157 3.4677 3.4710 3.7104 3.7166 3.8623 3.8638 4.2463 4.2475 4.4090 4.4098 4.4538 4.4556 4.6849 4.6849 4.7855 4.7864 5.2833 5.2836 5.5596 5.5601 5.6456 5.6457 12.0698 12.0699 12.5410 12.5423 12.7658 12.7672 12.8952 12.8962 12.9283 12.9291 14.1081 14.1082 14.4814 14.4816 14.5445 14.5446 k = 0.5000 0.3046 0.1007 ( 4654 PWs) bands (ev): -11.4661 -11.4661 -11.3343 -11.3343 -11.2029 -11.2029 -10.8411 -10.8411 -10.6359 -10.6359 -10.3066 -10.3066 -0.1004 -0.0988 -0.0064 -0.0042 0.3091 0.3123 0.4547 0.4568 0.5680 0.5687 0.8411 0.8436 1.0846 1.0951 1.1065 1.1160 1.2016 1.2026 1.2720 1.2962 1.3475 1.3824 1.4122 1.4474 1.6167 1.6189 1.7727 1.7743 1.8677 1.8799 1.9048 1.9297 2.0892 2.0966 2.2921 2.2961 2.4698 2.4809 2.5426 2.5535 2.6577 2.6731 3.3141 3.3162 3.4533 3.4589 3.7201 3.7317 3.8535 3.8564 4.2456 4.2479 4.4151 4.4168 4.4537 4.4573 4.6812 4.6812 4.7853 4.7872 5.2826 5.2833 5.5563 5.5572 5.6467 5.6469 12.0686 12.0689 12.5300 12.5325 12.7615 12.7642 12.9069 12.9087 12.9348 12.9362 14.1042 14.1044 14.4866 14.4869 14.5436 14.5438 k = 0.5000 0.3082 0.0918 ( 4652 PWs) bands (ev): -11.4662 -11.4662 -11.3341 -11.3340 -11.2033 -11.2033 -10.8411 -10.8411 -10.6359 -10.6359 -10.3065 -10.3065 -0.1007 -0.0984 -0.0042 -0.0008 0.3059 0.3105 0.4526 0.4558 0.5697 0.5706 0.8407 0.8445 1.0781 1.0952 1.1054 1.1168 1.2010 1.2022 1.2684 1.3034 1.3394 1.3889 1.4060 1.4563 1.6148 1.6180 1.7737 1.7757 1.8661 1.8828 1.9011 1.9361 2.0873 2.0979 2.2900 2.2959 2.4673 2.4832 2.5392 2.5533 2.6682 2.6883 3.3133 3.3166 3.4334 3.4403 3.7356 3.7514 3.8400 3.8442 4.2448 4.2483 4.4249 4.4273 4.4541 4.4596 4.6752 4.6753 4.7855 4.7882 5.2815 5.2825 5.5509 5.5522 5.6485 5.6488 12.0667 12.0672 12.5139 12.5173 12.7557 12.7594 12.9253 12.9272 12.9455 12.9469 14.0982 14.0984 14.4950 14.4955 14.5421 14.5425 k = 0.5000 0.3117 0.0829 ( 4650 PWs) bands (ev): -11.4663 -11.4663 -11.3337 -11.3337 -11.2039 -11.2039 -10.8410 -10.8410 -10.6358 -10.6358 -10.3063 -10.3063 -0.1009 -0.0979 -0.0009 0.0035 0.3018 0.3077 0.4500 0.4542 0.5719 0.5730 0.8405 0.8454 1.0708 1.0951 1.1045 1.1156 1.2006 1.2016 1.2660 1.3099 1.3324 1.3881 1.4072 1.4650 1.6126 1.6166 1.7755 1.7772 1.8652 1.8834 1.9010 1.9421 2.0858 2.0988 2.2877 2.2952 2.4647 2.4841 2.5371 2.5534 2.6837 2.7065 3.3123 3.3169 3.4104 3.4178 3.7542 3.7730 3.8227 3.8283 4.2442 4.2489 4.4371 4.4402 4.4551 4.4622 4.6673 4.6676 4.7860 4.7897 5.2800 5.2813 5.5436 5.5453 5.6509 5.6514 12.0642 12.0648 12.4941 12.4983 12.7490 12.7536 12.9481 12.9489 12.9608 12.9610 14.0903 14.0906 14.5062 14.5067 14.5401 14.5407 k = 0.5000 0.3152 0.0740 ( 4648 PWs) bands (ev): -11.4664 -11.4664 -11.3332 -11.3332 -11.2046 -11.2046 -10.8409 -10.8409 -10.6358 -10.6358 -10.3062 -10.3061 -0.1011 -0.0973 0.0034 0.0089 0.2971 0.3042 0.4470 0.4521 0.5747 0.5756 0.8405 0.8464 1.0629 1.0949 1.1038 1.1124 1.2003 1.2008 1.2649 1.3130 1.3292 1.3816 1.4141 1.4734 1.6102 1.6149 1.7777 1.7786 1.8651 1.8815 1.9046 1.9476 2.0848 2.0995 2.2852 2.2940 2.4616 2.4830 2.5366 2.5550 2.7034 2.7273 3.3107 3.3169 3.3862 3.3938 3.7730 3.7911 3.8032 3.8134 4.2440 4.2498 4.4483 4.4537 4.4585 4.4654 4.6582 4.6589 4.7870 4.7917 5.2781 5.2796 5.5342 5.5363 5.6540 5.6545 12.0611 12.0619 12.4722 12.4769 12.7421 12.7473 12.9685 12.9703 12.9813 12.9839 14.0810 14.0814 14.5197 14.5200 14.5377 14.5389 k = 0.5000 0.3188 0.0651 ( 4646 PWs) bands (ev): -11.4665 -11.4665 -11.3327 -11.3326 -11.2054 -11.2054 -10.8408 -10.8408 -10.6358 -10.6358 -10.3059 -10.3059 -0.1012 -0.0968 0.0087 0.0152 0.2919 0.2999 0.4436 0.4495 0.5777 0.5784 0.8407 0.8473 1.0548 1.0945 1.1030 1.1074 1.1999 1.2000 1.2650 1.3096 1.3329 1.3742 1.4220 1.4812 1.6079 1.6129 1.7799 1.7804 1.8656 1.8790 1.9102 1.9525 2.0844 2.1001 2.2825 2.2924 2.4578 2.4797 2.5380 2.5586 2.7267 2.7506 3.3083 3.3165 3.3623 3.3699 3.7748 3.7810 3.7981 3.8235 4.2443 4.2512 4.4523 4.4636 4.4686 4.4715 4.6491 4.6504 4.7887 4.7944 5.2758 5.2775 5.5229 5.5254 5.6575 5.6581 12.0575 12.0584 12.4491 12.4543 12.7357 12.7412 12.9862 12.9882 13.0097 13.0127 14.0708 14.0713 14.5317 14.5341 14.5359 14.5400 k = 0.5000 0.3223 0.0562 ( 4646 PWs) bands (ev): -11.4667 -11.4667 -11.3320 -11.3320 -11.2063 -11.2063 -10.8407 -10.8407 -10.6357 -10.6357 -10.3057 -10.3056 -0.1012 -0.0962 0.0149 0.0223 0.2865 0.2952 0.4397 0.4465 0.5809 0.5810 0.8410 0.8483 1.0466 1.0926 1.1021 1.1021 1.1991 1.1997 1.2660 1.3033 1.3395 1.3668 1.4298 1.4883 1.6058 1.6109 1.7810 1.7833 1.8670 1.8768 1.9167 1.9569 2.0847 2.1006 2.2798 2.2904 2.4532 2.4743 2.5409 2.5640 2.7529 2.7760 3.3039 3.3146 3.3403 3.3482 3.7522 3.7581 3.8145 3.8432 4.2452 4.2531 4.4529 4.4675 4.4792 4.4804 4.6416 4.6439 4.7913 4.7980 5.2730 5.2750 5.5098 5.5127 5.6614 5.6621 12.0535 12.0546 12.4257 12.4313 12.7299 12.7357 13.0039 13.0056 13.0409 13.0438 14.0602 14.0607 14.5317 14.5320 14.5519 14.5542 k = 0.5000 0.3259 0.0474 ( 4638 PWs) bands (ev): -11.4669 -11.4669 -11.3313 -11.3313 -11.2073 -11.2073 -10.8405 -10.8405 -10.6357 -10.6357 -10.3054 -10.3053 -0.1011 -0.0956 0.0219 0.0302 0.2809 0.2903 0.4356 0.4432 0.5835 0.5842 0.8415 0.8494 1.0385 1.0865 1.0999 1.1012 1.1983 1.1992 1.2677 1.2965 1.3466 1.3599 1.4371 1.4945 1.6040 1.6091 1.7819 1.7863 1.8693 1.8755 1.9237 1.9608 2.0857 2.1011 2.2771 2.2882 2.4479 2.4674 2.5451 2.5707 2.7819 2.8035 3.2954 3.3063 3.3259 3.3315 3.7272 3.7331 3.8307 3.8618 4.2468 4.2555 4.4526 4.4696 4.4850 4.4853 4.6383 4.6417 4.7949 4.8026 5.2698 5.2719 5.4949 5.4981 5.6655 5.6663 12.0493 12.0506 12.4027 12.4085 12.7251 12.7309 13.0220 13.0231 13.0733 13.0759 14.0495 14.0500 14.5291 14.5293 14.5698 14.5719 k = 0.5000 0.3294 0.0385 ( 4644 PWs) bands (ev): -11.4671 -11.4671 -11.3306 -11.3305 -11.2084 -11.2084 -10.8403 -10.8403 -10.6356 -10.6356 -10.3051 -10.3050 -0.1010 -0.0949 0.0295 0.0387 0.2754 0.2852 0.4312 0.4396 0.5856 0.5873 0.8421 0.8504 1.0305 1.0771 1.1001 1.1002 1.1977 1.1985 1.2696 1.2897 1.3536 1.3536 1.4437 1.4995 1.6028 1.6076 1.7825 1.7890 1.8723 1.8749 1.9308 1.9644 2.0873 2.1017 2.2745 2.2857 2.4421 2.4594 2.5500 2.5779 2.8131 2.8329 3.2818 3.2897 3.3214 3.3214 3.7017 3.7075 3.8447 3.8781 4.2489 4.2579 4.4518 4.4703 4.4832 4.4837 4.6412 4.6457 4.7997 4.8082 5.2661 5.2683 5.4783 5.4819 5.6698 5.6707 12.0452 12.0465 12.3805 12.3865 12.7212 12.7270 13.0402 13.0407 13.1059 13.1082 14.0390 14.0396 14.5263 14.5266 14.5883 14.5905 k = 0.5000 0.3329 0.0296 ( 4650 PWs) bands (ev): -11.4674 -11.4674 -11.3298 -11.3298 -11.2096 -11.2096 -10.8401 -10.8401 -10.6356 -10.6356 -10.3047 -10.3046 -0.1007 -0.0942 0.0377 0.0476 0.2702 0.2803 0.4265 0.4357 0.5871 0.5901 0.8428 0.8514 1.0229 1.0662 1.0991 1.1012 1.1971 1.1977 1.2714 1.2832 1.3482 1.3603 1.4497 1.5033 1.6021 1.6067 1.7829 1.7915 1.8752 1.8761 1.9378 1.9678 2.0893 2.1025 2.2719 2.2830 2.4358 2.4505 2.5553 2.5851 2.8465 2.8639 3.2659 3.2724 3.3154 3.3195 3.6764 3.6820 3.8564 3.8917 4.2509 4.2599 4.4505 4.4651 4.4738 4.4803 4.6507 4.6558 4.8056 4.8150 5.2619 5.2643 5.4601 5.4640 5.6741 5.6750 12.0412 12.0427 12.3595 12.3657 12.7184 12.7240 13.0582 13.0584 13.1382 13.1401 14.0291 14.0296 14.5237 14.5242 14.6073 14.6096 k = 0.5000 0.3365 0.0207 ( 4654 PWs) bands (ev): -11.4677 -11.4677 -11.3291 -11.3290 -11.2108 -11.2108 -10.8399 -10.8399 -10.6355 -10.6355 -10.3044 -10.3043 -0.1003 -0.0934 0.0463 0.0568 0.2655 0.2758 0.4218 0.4317 0.5881 0.5925 0.8436 0.8526 1.0155 1.0546 1.0981 1.1028 1.1967 1.1969 1.2726 1.2771 1.3438 1.3666 1.4550 1.5056 1.6020 1.6066 1.7831 1.7935 1.8763 1.8808 1.9448 1.9711 2.0917 2.1035 2.2696 2.2803 2.4294 2.4411 2.5605 2.5918 2.8815 2.8963 3.2508 3.2572 3.3106 3.3179 3.6520 3.6571 3.8655 3.9025 4.2521 4.2609 4.4456 4.4493 4.4617 4.4817 4.6650 4.6706 4.8127 4.8229 5.2573 5.2597 5.4404 5.4446 5.6782 5.6791 12.0376 12.0393 12.3401 12.3463 12.7164 12.7219 13.0755 13.0762 13.1696 13.1711 14.0199 14.0204 14.5215 14.5222 14.6265 14.6288 k = 0.5000 0.3400 0.0118 ( 4650 PWs) bands (ev): -11.4680 -11.4680 -11.3283 -11.3282 -11.2120 -11.2119 -10.8397 -10.8397 -10.6354 -10.6354 -10.3040 -10.3039 -0.0997 -0.0924 0.0552 0.0661 0.2615 0.2718 0.4169 0.4276 0.5885 0.5945 0.8444 0.8538 1.0085 1.0426 1.0970 1.1047 1.1962 1.1964 1.2715 1.2729 1.3407 1.3725 1.4597 1.5064 1.6026 1.6073 1.7832 1.7951 1.8780 1.8861 1.9515 1.9746 2.0943 2.1047 2.2674 2.2777 2.4229 2.4313 2.5654 2.5977 2.9180 2.9297 3.2381 3.2447 3.3059 3.3160 3.6290 3.6334 3.8723 3.9108 4.2519 4.2603 4.4272 4.4284 4.4583 4.4856 4.6824 4.6880 4.8211 4.8319 5.2522 5.2547 5.4194 5.4238 5.6821 5.6831 12.0347 12.0367 12.3223 12.3286 12.7151 12.7204 13.0923 13.0937 13.1996 13.2008 14.0116 14.0122 14.5200 14.5208 14.6456 14.6481 k = 0.5000 0.3400 0.0118 ( 4650 PWs) bands (ev): -11.4680 -11.4680 -11.3283 -11.3282 -11.2120 -11.2119 -10.8397 -10.8397 -10.6354 -10.6354 -10.3040 -10.3039 -0.0997 -0.0924 0.0552 0.0661 0.2615 0.2718 0.4169 0.4276 0.5885 0.5945 0.8444 0.8538 1.0085 1.0426 1.0970 1.1047 1.1962 1.1964 1.2715 1.2729 1.3407 1.3725 1.4597 1.5064 1.6026 1.6073 1.7832 1.7951 1.8780 1.8861 1.9515 1.9746 2.0943 2.1047 2.2674 2.2777 2.4229 2.4313 2.5654 2.5977 2.9180 2.9297 3.2381 3.2447 3.3059 3.3160 3.6290 3.6334 3.8723 3.9108 4.2519 4.2603 4.4272 4.4284 4.4583 4.4856 4.6824 4.6880 4.8211 4.8319 5.2522 5.2547 5.4194 5.4238 5.6821 5.6831 12.0347 12.0367 12.3223 12.3286 12.7151 12.7204 13.0923 13.0937 13.1996 13.2008 14.0116 14.0122 14.5200 14.5208 14.6456 14.6481 k = 0.5000 0.3367 0.0027 ( 4656 PWs) bands (ev): -11.4681 -11.4681 -11.3275 -11.3274 -11.2128 -11.2128 -10.8392 -10.8392 -10.6356 -10.6356 -10.3039 -10.3038 -0.1021 -0.0951 0.0623 0.0732 0.2555 0.2643 0.4079 0.4178 0.5817 0.5897 0.8458 0.8547 1.0030 1.0334 1.0958 1.1041 1.1959 1.1965 1.2689 1.2727 1.3371 1.3735 1.4627 1.5032 1.6034 1.6106 1.7824 1.7970 1.8823 1.8928 1.9586 1.9762 2.0962 2.1060 2.2654 2.2747 2.4225 2.4302 2.5764 2.6099 2.9541 2.9645 3.2377 3.2439 3.3107 3.3212 3.6046 3.6090 3.8851 3.9247 4.2647 4.2706 4.3900 4.3919 4.4515 4.4829 4.7058 4.7109 4.8288 4.8402 5.2527 5.2550 5.3912 5.3959 5.6853 5.6862 12.0492 12.0513 12.3228 12.3288 12.7034 12.7086 13.0735 13.0752 13.1963 13.1975 14.0091 14.0098 14.5285 14.5294 14.6597 14.6622 k = 0.5000 0.3335-0.0064 ( 4650 PWs) bands (ev): -11.4683 -11.4682 -11.3267 -11.3266 -11.2135 -11.2135 -10.8388 -10.8388 -10.6358 -10.6358 -10.3038 -10.3037 -0.1045 -0.0977 0.0697 0.0803 0.2498 0.2572 0.3991 0.4083 0.5747 0.5845 0.8473 0.8555 0.9975 1.0242 1.0949 1.1037 1.1958 1.1970 1.2666 1.2727 1.3331 1.3734 1.4649 1.4995 1.6044 1.6137 1.7822 1.7986 1.8874 1.9002 1.9652 1.9780 2.0983 2.1073 2.2637 2.2721 2.4218 2.4290 2.5867 2.6205 2.9911 3.0000 3.2402 3.2461 3.3159 3.3265 3.5829 3.5871 3.8969 3.9372 4.2731 4.2770 4.3489 4.3511 4.4489 4.4832 4.7296 4.7342 4.8373 4.8490 5.2527 5.2548 5.3617 5.3666 5.6882 5.6890 12.0649 12.0672 12.3240 12.3297 12.6916 12.6966 13.0542 13.0561 13.1923 13.1933 14.0073 14.0080 14.5371 14.5382 14.6741 14.6765 k = 0.5000 0.3302-0.0155 ( 4652 PWs) bands (ev): -11.4684 -11.4684 -11.3259 -11.3259 -11.2143 -11.2143 -10.8383 -10.8383 -10.6360 -10.6360 -10.3037 -10.3036 -0.1067 -0.1003 0.0771 0.0873 0.2445 0.2506 0.3905 0.3992 0.5677 0.5790 0.8491 0.8563 0.9922 1.0151 1.0941 1.1033 1.1959 1.1977 1.2645 1.2730 1.3288 1.3720 1.4666 1.4956 1.6056 1.6166 1.7825 1.7997 1.8930 1.9078 1.9712 1.9800 2.1002 2.1087 2.2624 2.2699 2.4211 2.4279 2.5960 2.6291 3.0282 3.0356 3.2459 3.2512 3.3214 3.3319 3.5645 3.5685 3.9074 3.9480 4.2765 4.2794 4.3053 4.3077 4.4501 4.4858 4.7530 4.7572 4.8468 4.8587 5.2523 5.2542 5.3313 5.3363 5.6906 5.6915 12.0817 12.0842 12.3257 12.3310 12.6795 12.6844 13.0349 13.0371 13.1877 13.1887 14.0059 14.0066 14.5457 14.5468 14.6885 14.6909 k = 0.5000 0.3269-0.0246 ( 4658 PWs) bands (ev): -11.4686 -11.4686 -11.3252 -11.3252 -11.2150 -11.2150 -10.8379 -10.8379 -10.6361 -10.6361 -10.3036 -10.3035 -0.1088 -0.1028 0.0844 0.0939 0.2398 0.2445 0.3824 0.3905 0.5608 0.5732 0.8509 0.8569 0.9871 1.0065 1.0936 1.1030 1.1963 1.1987 1.2628 1.2737 1.3240 1.3694 1.4678 1.4917 1.6071 1.6191 1.7833 1.8005 1.8990 1.9153 1.9766 1.9822 2.1021 2.1101 2.2615 2.2681 2.4204 2.4267 2.6039 2.6355 3.0644 3.0703 3.2544 3.2590 3.3268 3.3371 3.5506 3.5543 3.9166 3.9569 4.2567 4.2577 4.2805 4.2816 4.4544 4.4900 4.7756 4.7793 4.8575 4.8695 5.2515 5.2533 5.3002 5.3053 5.6927 5.6935 12.0992 12.1018 12.3277 12.3327 12.6672 12.6719 13.0163 13.0185 13.1829 13.1838 14.0048 14.0056 14.5540 14.5551 14.7028 14.7051 k = 0.5000 0.3237-0.0337 ( 4664 PWs) bands (ev): -11.4688 -11.4688 -11.3246 -11.3245 -11.2156 -11.2156 -10.8374 -10.8374 -10.6363 -10.6363 -10.3035 -10.3034 -0.1108 -0.1053 0.0915 0.1002 0.2358 0.2392 0.3749 0.3825 0.5542 0.5672 0.8526 0.8575 0.9823 0.9983 1.0934 1.1026 1.1969 1.1998 1.2615 1.2749 1.3188 1.3654 1.4687 1.4880 1.6088 1.6212 1.7844 1.8009 1.9052 1.9223 1.9815 1.9846 2.1040 2.1115 2.2609 2.2667 2.4197 2.4255 2.6105 2.6399 3.0987 3.1033 3.2652 3.2690 3.3318 3.3419 3.5424 3.5458 3.9244 3.9637 4.2087 4.2103 4.2774 4.2794 4.4605 4.4949 4.7968 4.8002 4.8697 4.8814 5.2498 5.2519 5.2694 5.2742 5.6945 5.6952 12.1172 12.1198 12.3299 12.3345 12.6546 12.6591 12.9986 13.0009 13.1780 13.1788 14.0040 14.0048 14.5618 14.5629 14.7168 14.7189 k = 0.5000 0.3204-0.0428 ( 4666 PWs) bands (ev): -11.4689 -11.4689 -11.3240 -11.3240 -11.2163 -11.2163 -10.8370 -10.8370 -10.6364 -10.6364 -10.3033 -10.3033 -0.1125 -0.1076 0.0981 0.1058 0.2324 0.2346 0.3681 0.3752 0.5480 0.5612 0.8543 0.8580 0.9779 0.9907 1.0935 1.1023 1.1976 1.2011 1.2605 1.2767 1.3132 1.3604 1.4695 1.4847 1.6106 1.6229 1.7856 1.8011 1.9114 1.9287 1.9858 1.9872 2.1058 2.1128 2.2607 2.2656 2.4191 2.4244 2.6157 2.6425 3.1301 3.1334 3.2779 3.2806 3.3358 3.3455 3.5413 3.5443 3.9306 3.9681 4.1588 4.1603 4.2742 4.2767 4.4675 4.4995 4.8164 4.8193 4.8836 4.8949 5.2350 5.2407 5.2517 5.2525 5.6959 5.6965 12.1353 12.1378 12.3321 12.3363 12.6418 12.6460 12.9823 12.9846 13.1733 13.1740 14.0034 14.0041 14.5691 14.5701 14.7301 14.7320 k = 0.5000 0.3171-0.0519 ( 4662 PWs) bands (ev): -11.4691 -11.4691 -11.3235 -11.3235 -11.2168 -11.2168 -10.8366 -10.8366 -10.6366 -10.6366 -10.3032 -10.3032 -0.1141 -0.1097 0.1040 0.1106 0.2298 0.2309 0.3622 0.3686 0.5424 0.5552 0.8559 0.8585 0.9740 0.9840 1.0938 1.1020 1.1985 1.2023 1.2602 1.2793 1.3074 1.3544 1.4701 1.4820 1.6125 1.6242 1.7871 1.8009 1.9176 1.9341 1.9896 1.9899 2.1075 2.1139 2.2607 2.2648 2.4186 2.4233 2.6198 2.6434 3.1573 3.1596 3.2914 3.2930 3.3386 3.3477 3.5487 3.5514 3.9354 3.9702 4.1079 4.1092 4.2711 4.2738 4.4744 4.5032 4.8341 4.8366 4.8991 4.9099 5.2045 5.2102 5.2496 5.2504 5.6970 5.6976 12.1529 12.1554 12.3343 12.3381 12.6291 12.6329 12.9679 12.9700 13.1690 13.1696 14.0029 14.0035 14.5756 14.5766 14.7425 14.7442 k = 0.5000 0.3139-0.0611 ( 4662 PWs) bands (ev): -11.4692 -11.4692 -11.3231 -11.3230 -11.2173 -11.2173 -10.8363 -10.8363 -10.6367 -10.6367 -10.3031 -10.3031 -0.1154 -0.1116 0.1093 0.1147 0.2279 0.2281 0.3572 0.3629 0.5375 0.5494 0.8572 0.8589 0.9706 0.9781 1.0943 1.1017 1.1995 1.2034 1.2604 1.2826 1.3014 1.3477 1.4707 1.4797 1.6144 1.6249 1.7886 1.8005 1.9235 1.9385 1.9924 1.9929 2.1091 2.1148 2.2609 2.2643 2.4182 2.4223 2.6230 2.6430 3.1798 3.1812 3.3049 3.3052 3.3399 3.3484 3.5651 3.5673 3.9386 3.9698 4.0569 4.0578 4.2685 4.2712 4.4808 4.5058 4.8495 4.8516 4.9165 4.9266 5.1736 5.1793 5.2484 5.2490 5.6978 5.6983 12.1697 12.1720 12.3364 12.3396 12.6166 12.6200 12.9554 12.9574 13.1651 13.1656 14.0025 14.0031 14.5813 14.5821 14.7537 14.7552 k = 0.5000 0.3106-0.0702 ( 4672 PWs) bands (ev): -11.4694 -11.4694 -11.3227 -11.3227 -11.2177 -11.2177 -10.8360 -10.8360 -10.6368 -10.6368 -10.3030 -10.3030 -0.1164 -0.1134 0.1136 0.1178 0.2262 0.2265 0.3532 0.3580 0.5337 0.5440 0.8583 0.8593 0.9677 0.9732 1.0949 1.1012 1.2005 1.2042 1.2614 1.2866 1.2954 1.3404 1.4712 1.4778 1.6163 1.6252 1.7901 1.7999 1.9289 1.9418 1.9948 1.9955 2.1106 2.1154 2.2611 2.2638 2.4180 2.4213 2.6255 2.6418 3.1973 3.1981 3.3160 3.3168 3.3404 3.3483 3.5897 3.5914 3.9399 3.9665 4.0072 4.0078 4.2666 4.2691 4.4865 4.5071 4.8625 4.8643 4.9355 4.9449 5.1432 5.1490 5.2474 5.2479 5.6984 5.6988 12.1850 12.1870 12.3383 12.3409 12.6050 12.6079 12.9452 12.9468 13.1618 13.1622 14.0021 14.0026 14.5860 14.5867 14.7634 14.7646 k = 0.5000 0.3074-0.0793 ( 4676 PWs) bands (ev): -11.4695 -11.4695 -11.3224 -11.3224 -11.2180 -11.2180 -10.8358 -10.8358 -10.6369 -10.6369 -10.3030 -10.3029 -0.1171 -0.1148 0.1170 0.1201 0.2250 0.2256 0.3502 0.3539 0.5308 0.5391 0.8591 0.8596 0.9654 0.9692 1.0957 1.1006 1.2015 1.2047 1.2632 1.2886 1.2923 1.3328 1.4717 1.4763 1.6182 1.6251 1.7916 1.7991 1.9337 1.9439 1.9968 1.9976 2.1119 2.1157 2.2615 2.2635 2.4179 2.4204 2.6276 2.6400 3.2101 3.2105 3.3240 3.3254 3.3420 3.3485 3.6206 3.6218 3.9337 3.9480 3.9658 3.9729 4.2656 4.2676 4.4913 4.5072 4.8729 4.8742 4.9562 4.9649 5.1137 5.1196 5.2465 5.2469 5.6989 5.6992 12.1981 12.1997 12.3399 12.3419 12.5949 12.5973 12.9372 12.9385 13.1592 13.1595 14.0019 14.0023 14.5898 14.5903 14.7713 14.7722 k = 0.5000 0.3041-0.0884 ( 4676 PWs) bands (ev): -11.4695 -11.4695 -11.3222 -11.3222 -11.2182 -11.2182 -10.8356 -10.8356 -10.6369 -10.6369 -10.3029 -10.3029 -0.1176 -0.1160 0.1196 0.1215 0.2244 0.2250 0.3483 0.3508 0.5292 0.5350 0.8596 0.8598 0.9639 0.9662 1.0965 1.0999 1.2025 1.2049 1.2658 1.2834 1.2974 1.3251 1.4722 1.4751 1.6199 1.6247 1.7931 1.7981 1.9378 1.9448 1.9984 1.9990 2.1132 2.1158 2.2619 2.2632 2.4179 2.4197 2.6296 2.6378 3.2187 3.2189 3.3282 3.3290 3.3459 3.3501 3.6544 3.6552 3.9017 3.9054 3.9539 3.9649 4.2651 4.2665 4.4955 4.5063 4.8805 4.8814 4.9783 4.9862 5.0854 5.0913 5.2459 5.2461 5.6992 5.6994 12.2082 12.2094 12.3412 12.3426 12.5871 12.5888 12.9316 12.9325 13.1573 13.1575 14.0018 14.0020 14.5925 14.5929 14.7772 14.7778 k = 0.5000 0.3008-0.0975 ( 4676 PWs) bands (ev): -11.4696 -11.4696 -11.3221 -11.3221 -11.2183 -11.2183 -10.8355 -10.8355 -10.6370 -10.6370 -10.3029 -10.3029 -0.1177 -0.1169 0.1213 0.1222 0.2242 0.2246 0.3474 0.3487 0.5289 0.5319 0.8599 0.8600 0.9632 0.9642 1.0974 1.0992 1.2034 1.2047 1.2692 1.2782 1.3035 1.3176 1.4728 1.4742 1.6214 1.6239 1.7945 1.7970 1.9410 1.9446 1.9995 1.9998 2.1142 2.1156 2.2623 2.2630 2.4182 2.4190 2.6315 2.6357 3.2236 3.2237 3.3296 3.3298 3.3501 3.3519 3.6850 3.6853 3.8666 3.8681 3.9542 3.9604 4.2651 4.2658 4.4990 4.5045 4.8852 4.8857 5.0013 5.0080 5.0591 5.0649 5.2455 5.2456 5.6993 5.6995 12.2148 12.2154 12.3421 12.3428 12.5823 12.5831 12.9284 12.9288 13.1562 13.1563 14.0017 14.0018 14.5942 14.5944 14.7808 14.7811 k = 0.5000 0.2976-0.1066 ( 4676 PWs) bands (ev): -11.4696 -11.4696 -11.3220 -11.3220 -11.2184 -11.2184 -10.8355 -10.8355 -10.6370 -10.6370 -10.3029 -10.3029 -0.1174 -0.1174 0.1221 0.1221 0.2243 0.2243 0.3475 0.3475 0.5298 0.5298 0.8601 0.8601 0.9632 0.9632 1.0983 1.0983 1.2042 1.2042 1.2734 1.2734 1.3103 1.3103 1.4734 1.4734 1.6228 1.6228 1.7958 1.7958 1.9433 1.9433 2.0000 2.0000 2.1150 2.1150 2.2627 2.2627 2.4185 2.4185 2.6335 2.6335 3.2253 3.2253 3.3298 3.3298 3.3522 3.3522 3.6989 3.6989 3.8515 3.8515 3.9568 3.9568 4.2653 4.2653 4.5020 4.5020 4.8870 4.8870 5.0198 5.0198 5.0455 5.0455 5.2454 5.2454 5.6994 5.6994 12.2172 12.2172 12.3427 12.3427 12.5809 12.5809 12.9274 12.9274 13.1558 13.1558 14.0017 14.0017 14.5949 14.5949 14.7822 14.7822 k = 0.5000 0.2976-0.1066 ( 4676 PWs) bands (ev): -11.4696 -11.4696 -11.3220 -11.3220 -11.2184 -11.2184 -10.8355 -10.8355 -10.6370 -10.6370 -10.3029 -10.3029 -0.1174 -0.1174 0.1221 0.1221 0.2243 0.2243 0.3475 0.3475 0.5298 0.5298 0.8601 0.8601 0.9632 0.9632 1.0983 1.0983 1.2042 1.2042 1.2734 1.2734 1.3103 1.3103 1.4734 1.4734 1.6228 1.6228 1.7958 1.7958 1.9433 1.9433 2.0000 2.0000 2.1150 2.1150 2.2627 2.2627 2.4185 2.4185 2.6335 2.6335 3.2253 3.2253 3.3298 3.3298 3.3522 3.3522 3.6989 3.6989 3.8515 3.8515 3.9568 3.9568 4.2653 4.2653 4.5020 4.5020 4.8870 4.8870 5.0198 5.0198 5.0455 5.0455 5.2454 5.2454 5.6994 5.6994 12.2172 12.2172 12.3427 12.3427 12.5809 12.5809 12.9274 12.9274 13.1558 13.1558 14.0017 14.0017 14.5949 14.5949 14.7822 14.7822 k = 0.4898 0.2976-0.1066 ( 4674 PWs) bands (ev): -11.4709 -11.4707 -11.3223 -11.3220 -11.2191 -11.2190 -10.8348 -10.8347 -10.6370 -10.6369 -10.3030 -10.3030 -0.1177 -0.1167 0.1231 0.1247 0.2211 0.2267 0.3460 0.3504 0.5282 0.5315 0.8574 0.8624 0.9605 0.9659 1.0915 1.1047 1.2029 1.2047 1.2675 1.2796 1.3043 1.3157 1.4704 1.4768 1.6171 1.6286 1.7922 1.8002 1.9385 1.9486 1.9921 2.0069 2.1114 2.1181 2.2600 2.2635 2.4186 2.4213 2.6333 2.6373 3.2214 3.2260 3.3193 3.3330 3.3509 3.3547 3.6980 3.7023 3.8527 3.8561 3.9566 3.9595 4.2655 4.2660 4.5014 4.5021 4.8845 4.8854 5.0198 5.0207 5.0460 5.0469 5.2464 5.2468 5.6997 5.7001 12.2107 12.2168 12.3415 12.3481 12.5752 12.5759 12.9200 12.9245 13.1657 13.1697 14.0022 14.0022 14.5923 14.5957 14.7842 14.7873 k = 0.4796 0.2976-0.1066 ( 4674 PWs) bands (ev): -11.4744 -11.4742 -11.3230 -11.3224 -11.2211 -11.2209 -10.8329 -10.8327 -10.6368 -10.6366 -10.3034 -10.3034 -0.1174 -0.1156 0.1276 0.1307 0.2172 0.2281 0.3458 0.3545 0.5267 0.5335 0.8546 0.8646 0.9577 0.9684 1.0844 1.1105 1.2007 1.2044 1.2619 1.2858 1.2979 1.3201 1.4678 1.4806 1.6115 1.6345 1.7893 1.8052 1.9340 1.9539 1.9838 2.0127 2.1073 2.1207 2.2558 2.2622 2.4212 2.4268 2.6367 2.6447 3.2142 3.2229 3.3051 3.3280 3.3520 3.3560 3.6991 3.7072 3.8597 3.8665 3.9592 3.9651 4.2666 4.2676 4.5001 4.5015 4.8783 4.8801 5.0203 5.0216 5.0487 5.0503 5.2496 5.2503 5.7010 5.7018 12.1985 12.2090 12.3447 12.3564 12.5594 12.5606 12.9063 12.9139 13.1962 13.2028 14.0037 14.0038 14.5885 14.5948 14.7934 14.7992 k = 0.4694 0.2976-0.1066 ( 4674 PWs) bands (ev): -11.4803 -11.4799 -11.3239 -11.3231 -11.2243 -11.2241 -10.8297 -10.8294 -10.6366 -10.6362 -10.3041 -10.3041 -0.1165 -0.1138 0.1355 0.1399 0.2130 0.2287 0.3470 0.3595 0.5255 0.5355 0.8516 0.8665 0.9549 0.9708 1.0769 1.1156 1.1977 1.2034 1.2567 1.2902 1.2930 1.3233 1.4656 1.4849 1.6062 1.6405 1.7874 1.8106 1.9302 1.9586 1.9757 2.0172 2.1027 2.1228 2.2505 2.2589 2.4261 2.4349 2.6437 2.6555 3.2027 3.2139 3.2914 3.3199 3.3529 3.3555 3.7013 3.7124 3.8721 3.8824 3.9645 3.9736 4.2685 4.2699 4.4982 4.5004 4.8691 4.8715 5.0200 5.0214 5.0542 5.0566 5.2550 5.2560 5.7033 5.7044 12.1816 12.1950 12.3512 12.3661 12.5346 12.5361 12.8922 12.9014 13.2400 13.2482 14.0065 14.0066 14.5843 14.5930 14.8091 14.8171 k = 0.4592 0.2976-0.1066 ( 4676 PWs) bands (ev): -11.4884 -11.4878 -11.3252 -11.3241 -11.2286 -11.2284 -10.8255 -10.8251 -10.6361 -10.6356 -10.3050 -10.3050 -0.1148 -0.1113 0.1465 0.1515 0.2089 0.2289 0.3495 0.3653 0.5244 0.5376 0.8483 0.8681 0.9521 0.9730 1.0691 1.1200 1.1938 1.2021 1.2516 1.2851 1.2972 1.3255 1.4640 1.4898 1.6012 1.6465 1.7864 1.8163 1.9269 1.9587 1.9720 2.0203 2.0977 2.1245 2.2446 2.2538 2.4331 2.4455 2.6541 2.6694 3.1862 3.1967 3.2819 3.3122 3.3525 3.3537 3.7033 3.7166 3.8888 3.9028 3.9732 3.9857 4.2712 4.2731 4.4958 4.4989 4.8576 4.8606 5.0183 5.0201 5.0624 5.0656 5.2624 5.2635 5.7065 5.7080 12.1610 12.1758 12.3593 12.3761 12.5028 12.5045 12.8805 12.8906 13.2917 13.3008 14.0107 14.0108 14.5806 14.5912 14.8304 14.8401 k = 0.4490 0.2976-0.1066 ( 4676 PWs) bands (ev): -11.4985 -11.4979 -11.3269 -11.3256 -11.2339 -11.2336 -10.8206 -10.8201 -10.6353 -10.6347 -10.3062 -10.3062 -0.1121 -0.1078 0.1598 0.1644 0.2061 0.2293 0.3529 0.3716 0.5235 0.5399 0.8449 0.8695 0.9494 0.9750 1.0613 1.1236 1.1888 1.2007 1.2465 1.2798 1.3003 1.3270 1.4630 1.4953 1.5965 1.6527 1.7863 1.8220 1.9240 1.9517 1.9754 2.0218 2.0926 2.1261 2.2384 2.2472 2.4418 2.4582 2.6678 2.6863 3.1644 3.1720 3.2776 3.3065 3.3507 3.3510 3.7046 3.7196 3.9079 3.9256 3.9859 4.0018 4.2745 4.2768 4.4930 4.4970 4.8445 4.8478 5.0155 5.0179 5.0725 5.0765 5.2716 5.2727 5.7106 5.7125 12.1369 12.1521 12.3679 12.3854 12.4662 12.4683 12.8721 12.8825 13.3478 13.3575 14.0167 14.0169 14.5782 14.5902 14.8566 14.8675 k = 0.4388 0.2976-0.1066 ( 4670 PWs) bands (ev): -11.5106 -11.5099 -11.3290 -11.3275 -11.2400 -11.2397 -10.8152 -10.8147 -10.6342 -10.6335 -10.3076 -10.3076 -0.1084 -0.1033 0.1737 0.1755 0.2076 0.2316 0.3571 0.3782 0.5227 0.5421 0.8413 0.8705 0.9468 0.9769 1.0535 1.1261 1.1826 1.1996 1.2411 1.2757 1.3007 1.3289 1.4625 1.5017 1.5922 1.6594 1.7869 1.8275 1.9210 1.9435 1.9805 2.0216 2.0874 2.1277 2.2324 2.2393 2.4522 2.4726 2.6845 2.7060 3.1373 3.1432 3.2770 3.3033 3.3469 3.3487 3.7050 3.7214 3.9274 3.9480 4.0042 4.0227 4.2784 4.2811 4.4899 4.4950 4.8301 4.8338 5.0121 5.0151 5.0841 5.0888 5.2823 5.2833 5.7156 5.7178 12.1092 12.1243 12.3760 12.3923 12.4279 12.4303 12.8663 12.8769 13.4061 13.4162 14.0250 14.0253 14.5776 14.5907 14.8871 14.8990 k = 0.4286 0.2976-0.1066 ( 4672 PWs) bands (ev): -11.5244 -11.5237 -11.3315 -11.3298 -11.2468 -11.2465 -10.8097 -10.8091 -10.6326 -10.6319 -10.3093 -10.3092 -0.1036 -0.0976 0.1782 0.1874 0.2173 0.2391 0.3618 0.3850 0.5221 0.5443 0.8374 0.8711 0.9444 0.9786 1.0457 1.1273 1.1753 1.1989 1.2355 1.2726 1.2978 1.3312 1.4623 1.5089 1.5882 1.6667 1.7880 1.8327 1.9166 1.9369 1.9856 2.0198 2.0824 2.1295 2.2269 2.2305 2.4641 2.4885 2.7041 2.7280 3.1055 3.1132 3.2787 3.3024 3.3426 3.3459 3.7047 3.7223 3.9460 3.9679 4.0289 4.0480 4.2828 4.2858 4.4867 4.4932 4.8150 4.8189 5.0085 5.0120 5.0967 5.1020 5.2944 5.2952 5.7216 5.7240 12.0777 12.0923 12.3787 12.3812 12.3925 12.4087 12.8624 12.8731 13.4649 13.4752 14.0362 14.0366 14.5793 14.5933 14.9214 14.9342 k = 0.4184 0.2976-0.1066 ( 4674 PWs) bands (ev): -11.5398 -11.5391 -11.3344 -11.3326 -11.2542 -11.2538 -10.8044 -10.8037 -10.6305 -10.6297 -10.3112 -10.3111 -0.0974 -0.0906 0.1766 0.1947 0.2344 0.2544 0.3668 0.3918 0.5216 0.5465 0.8334 0.8714 0.9422 0.9801 1.0383 1.1270 1.1668 1.1985 1.2298 1.2707 1.2923 1.3338 1.4625 1.5172 1.5844 1.6747 1.7893 1.8375 1.9098 1.9333 1.9898 2.0165 2.0776 2.1318 2.2210 2.2222 2.4773 2.5054 2.7261 2.7522 3.0712 3.0824 3.2821 3.3032 3.3380 3.3430 3.7040 3.7227 3.9632 3.9851 4.0586 4.0769 4.2875 4.2908 4.4836 4.4917 4.7993 4.8034 5.0052 5.0090 5.1098 5.1157 5.3077 5.3081 5.7283 5.7310 12.0422 12.0560 12.3422 12.3494 12.3910 12.4114 12.8596 12.8704 13.5229 13.5331 14.0510 14.0517 14.5839 14.5986 14.9592 14.9727 k = 0.4082 0.2976-0.1066 ( 4672 PWs) bands (ev): -11.5568 -11.5560 -11.3378 -11.3359 -11.2620 -11.2616 -10.7995 -10.7988 -10.6277 -10.6269 -10.3132 -10.3132 -0.0899 -0.0822 0.1731 0.1970 0.2561 0.2761 0.3719 0.3986 0.5212 0.5486 0.8293 0.8713 0.9404 0.9815 1.0312 1.1249 1.1577 1.1972 1.2249 1.2695 1.2856 1.3362 1.4629 1.5265 1.5806 1.6837 1.7906 1.8416 1.9010 1.9324 1.9919 2.0132 2.0732 2.1348 2.2109 2.2185 2.4916 2.5233 2.7503 2.7782 3.0360 3.0511 3.2868 3.3053 3.3333 3.3406 3.7033 3.7231 3.9795 4.0008 4.0909 4.1079 4.2924 4.2958 4.4810 4.4909 4.7832 4.7876 5.0022 5.0062 5.1234 5.1297 5.3217 5.3220 5.7358 5.7387 12.0027 12.0157 12.3039 12.3122 12.3950 12.4149 12.8572 12.8681 13.5788 13.5888 14.0701 14.0714 14.5916 14.6069 15.0002 15.0145 k = 0.3980 0.2976-0.1066 ( 4666 PWs) bands (ev): -11.5749 -11.5742 -11.3416 -11.3396 -11.2702 -11.2698 -10.7953 -10.7946 -10.6242 -10.6234 -10.3155 -10.3154 -0.0810 -0.0724 0.1693 0.1969 0.2809 0.3016 0.3770 0.4051 0.5210 0.5506 0.8249 0.8708 0.9389 0.9826 1.0248 1.1209 1.1482 1.1935 1.2221 1.2678 1.2795 1.3380 1.4633 1.5369 1.5770 1.6938 1.7915 1.8450 1.8914 1.9327 1.9900 2.0120 2.0690 2.1387 2.2005 2.2163 2.5070 2.5417 2.7762 2.8055 3.0009 3.0198 3.2927 3.3082 3.3289 3.3391 3.7029 3.7236 3.9950 4.0159 4.1238 4.1395 4.2974 4.3008 4.4791 4.4911 4.7671 4.7716 5.0000 5.0040 5.1372 5.1440 5.3363 5.3370 5.7441 5.7472 11.9593 11.9715 12.2670 12.2763 12.3972 12.4165 12.8546 12.8656 13.6317 13.6410 14.0941 14.0964 14.6027 14.6185 15.0443 15.0593 k = 0.3878 0.2976-0.1066 ( 4664 PWs) bands (ev): -11.5942 -11.5935 -11.3459 -11.3438 -11.2786 -11.2784 -10.7920 -10.7912 -10.6200 -10.6192 -10.3179 -10.3179 -0.0708 -0.0611 0.1655 0.1958 0.3075 0.3292 0.3821 0.4115 0.5209 0.5526 0.8204 0.8698 0.9378 0.9834 1.0192 1.1146 1.1393 1.1864 1.2216 1.2637 1.2770 1.3392 1.4637 1.5484 1.5734 1.7048 1.7919 1.8473 1.8818 1.9333 1.9840 2.0137 2.0650 2.1435 2.1899 2.2158 2.5231 2.5604 2.8035 2.8336 2.9664 2.9890 3.2996 3.3110 3.3252 3.3396 3.7031 3.7246 4.0101 4.0307 4.1561 4.1705 4.3023 4.3055 4.4783 4.4927 4.7511 4.7557 4.9986 5.0026 5.1512 5.1583 5.3514 5.3526 5.7531 5.7563 11.9125 11.9238 12.2316 12.2417 12.3972 12.4159 12.8513 12.8624 13.6806 13.6889 14.1237 14.1272 14.6176 14.6338 15.0911 15.1069 k = 0.3776 0.2976-0.1066 ( 4668 PWs) bands (ev): -11.6145 -11.6138 -11.3505 -11.3483 -11.2874 -11.2871 -10.7897 -10.7889 -10.6151 -10.6143 -10.3205 -10.3205 -0.0594 -0.0486 0.1619 0.1945 0.3353 0.3582 0.3874 0.4175 0.5208 0.5544 0.8157 0.8683 0.9370 0.9836 1.0149 1.1057 1.1313 1.1761 1.2218 1.2588 1.2777 1.3398 1.4640 1.5607 1.5701 1.7167 1.7914 1.8483 1.8729 1.9332 1.9762 2.0165 2.0610 2.1490 2.1793 2.2172 2.5395 2.5791 2.8317 2.8613 2.9335 2.9596 3.3068 3.3132 3.3230 3.3429 3.7042 3.7263 4.0249 4.0451 4.1867 4.1998 4.3072 4.3098 4.4790 4.4958 4.7356 4.7402 4.9985 5.0023 5.1652 5.1727 5.3669 5.3688 5.7628 5.7661 11.8626 11.8733 12.1975 12.2081 12.3945 12.4126 12.8472 12.8583 13.7251 13.7322 14.1588 14.1637 14.6365 14.6531 15.1405 15.1571 k = 0.3673 0.2976-0.1066 ( 4664 PWs) bands (ev): -11.6356 -11.6348 -11.3556 -11.3533 -11.2964 -11.2962 -10.7884 -10.7876 -10.6095 -10.6087 -10.3232 -10.3232 -0.0468 -0.0347 0.1587 0.1934 0.3630 0.3866 0.3949 0.4232 0.5209 0.5561 0.8109 0.8666 0.9364 0.9831 1.0123 1.0947 1.1243 1.1636 1.2204 1.2564 1.2799 1.3400 1.4643 1.5654 1.5755 1.7295 1.7899 1.8468 1.8659 1.9314 1.9689 2.0196 2.0573 2.1554 2.1689 2.2209 2.5559 2.5973 2.8602 2.8817 2.9069 2.9340 3.3118 3.3153 3.3250 3.3494 3.7063 3.7291 4.0394 4.0593 4.2146 4.2265 4.3120 4.3140 4.4813 4.5005 4.7209 4.7253 4.9997 5.0034 5.1791 5.1869 5.3828 5.3853 5.7732 5.7765 11.8105 11.8205 12.1643 12.1751 12.3889 12.4063 12.8418 12.8531 13.7651 13.7708 14.1988 14.2054 14.6598 14.6768 15.1920 15.2096 k = 0.3571 0.2976-0.1066 ( 4668 PWs) bands (ev): -11.6573 -11.6566 -11.3610 -11.3587 -11.3055 -11.3054 -10.7881 -10.7873 -10.6034 -10.6026 -10.3260 -10.3260 -0.0333 -0.0198 0.1559 0.1926 0.3851 0.4038 0.4197 0.4288 0.5212 0.5579 0.8058 0.8644 0.9359 0.9819 1.0116 1.0825 1.1177 1.1493 1.2167 1.2573 1.2828 1.3399 1.4645 1.5621 1.5899 1.7428 1.7872 1.8415 1.8623 1.9267 1.9638 2.0224 2.0538 2.1573 2.1639 2.2266 2.5719 2.6145 2.8638 2.8888 2.8963 2.9333 3.3127 3.3179 3.3334 3.3589 3.7098 3.7329 4.0535 4.0730 4.2390 4.2495 4.3172 4.3187 4.4852 4.5063 4.7076 4.7114 5.0025 5.0060 5.1929 5.2010 5.3989 5.4021 5.7842 5.7875 11.7564 11.7658 12.1312 12.1421 12.3801 12.3968 12.8353 12.8465 13.8010 13.8054 14.2429 14.2511 14.6876 14.7050 15.2452 15.2640 k = 0.3469 0.2976-0.1066 ( 4668 PWs) bands (ev): -11.6795 -11.6788 -11.3667 -11.3645 -11.3149 -11.3148 -10.7888 -10.7880 -10.5967 -10.5960 -10.3289 -10.3288 -0.0189 -0.0039 0.1537 0.1924 0.3939 0.4268 0.4360 0.4493 0.5218 0.5597 0.8006 0.8620 0.9351 0.9805 1.0128 1.0698 1.1113 1.1338 1.2115 1.2606 1.2862 1.3399 1.4647 1.5588 1.6054 1.7565 1.7833 1.8333 1.8610 1.9193 1.9613 2.0242 2.0510 2.1479 2.1717 2.2343 2.5866 2.6301 2.8365 2.8737 2.9169 2.9571 3.3139 3.3207 3.3455 3.3709 3.7148 3.7380 4.0673 4.0862 4.2588 4.2674 4.3233 4.3257 4.4902 4.5124 4.6960 4.6993 5.0071 5.0105 5.2065 5.2148 5.4151 5.4190 5.7958 5.7991 11.7010 11.7099 12.0980 12.1087 12.3678 12.3837 12.8276 12.8387 13.8331 13.8368 14.2895 14.2990 14.7203 14.7380 15.2994 15.3197 k = 0.3367 0.2976-0.1066 ( 4676 PWs) bands (ev): -11.7021 -11.7015 -11.3728 -11.3705 -11.3244 -11.3243 -10.7905 -10.7897 -10.5898 -10.5892 -10.3318 -10.3318 -0.0041 0.0126 0.1519 0.1929 0.3984 0.4362 0.4603 0.4775 0.5234 0.5619 0.7951 0.8592 0.9334 0.9798 1.0153 1.0573 1.1048 1.1175 1.2057 1.2649 1.2899 1.3403 1.4650 1.5555 1.6217 1.7700 1.7782 1.8241 1.8603 1.9107 1.9606 2.0247 2.0495 2.1386 2.1811 2.2435 2.5992 2.6432 2.8108 2.8522 2.9431 2.9826 3.3168 3.3250 3.3601 3.3853 3.7214 3.7444 4.0806 4.0988 4.2726 4.2790 4.3318 4.3362 4.4954 4.5176 4.6866 4.6900 5.0137 5.0172 5.2199 5.2284 5.4313 5.4359 5.8080 5.8113 11.6445 11.6529 12.0642 12.0746 12.3516 12.3668 12.8188 12.8298 13.8621 13.8656 14.3371 14.3476 14.7579 14.7760 15.3530 15.3759 k = 0.3265 0.2976-0.1066 ( 4680 PWs) bands (ev): -11.7250 -11.7244 -11.3792 -11.3769 -11.3340 -11.3339 -10.7930 -10.7922 -10.5828 -10.5822 -10.3347 -10.3347 0.0110 0.0295 0.1509 0.1943 0.4017 0.4404 0.4897 0.5007 0.5284 0.5649 0.7896 0.8562 0.9303 0.9808 1.0187 1.0452 1.0982 1.1013 1.2000 1.2693 1.2935 1.3414 1.4653 1.5526 1.6385 1.7714 1.7832 1.8147 1.8596 1.9028 1.9611 2.0232 2.0498 2.1300 2.1916 2.2538 2.6087 2.6523 2.7890 2.8338 2.9674 3.0063 3.3222 3.3311 3.3771 3.4021 3.7297 3.7521 4.0934 4.1109 4.2800 4.2854 4.3438 4.3499 4.4999 4.5208 4.6796 4.6848 5.0226 5.0261 5.2330 5.2416 5.4475 5.4528 5.8208 5.8240 11.5872 11.5952 12.0295 12.0394 12.3315 12.3459 12.8092 12.8199 13.8885 13.8922 14.3839 14.3950 14.8004 14.8189 15.3904 15.4110 k = 0.3163 0.2976-0.1066 ( 4680 PWs) bands (ev): -11.7481 -11.7475 -11.3858 -11.3835 -11.3437 -11.3436 -10.7962 -10.7953 -10.5757 -10.5751 -10.3376 -10.3376 0.0258 0.0462 0.1506 0.1966 0.4045 0.4439 0.5120 0.5191 0.5413 0.5709 0.7842 0.8528 0.9254 0.9840 1.0221 1.0344 1.0853 1.0921 1.1946 1.2732 1.2969 1.3437 1.4657 1.5501 1.6555 1.7640 1.7935 1.8063 1.8583 1.8973 1.9624 2.0204 2.0515 2.1225 2.2030 2.2649 2.6140 2.6555 2.7732 2.8193 2.9892 3.0272 3.3303 3.3392 3.3967 3.4215 3.7395 3.7610 4.1057 4.1224 4.2824 4.2887 4.3582 4.3654 4.5024 4.5209 4.6757 4.6841 5.0337 5.0374 5.2458 5.2545 5.4635 5.4695 5.8342 5.8373 11.5295 11.5369 11.9936 12.0030 12.3072 12.3209 12.7989 12.8094 13.9127 13.9167 14.4284 14.4398 14.8475 14.8662 15.3646 15.3733 k = 0.3061 0.2976-0.1066 ( 4676 PWs) bands (ev): -11.7712 -11.7706 -11.3927 -11.3904 -11.3535 -11.3534 -10.8000 -10.7991 -10.5687 -10.5682 -10.3405 -10.3405 0.0401 0.0623 0.1514 0.2002 0.4067 0.4468 0.5156 0.5475 0.5534 0.5841 0.7790 0.8489 0.9186 0.9898 1.0204 1.0287 1.0721 1.0859 1.1896 1.2764 1.2999 1.3472 1.4663 1.5480 1.6720 1.7557 1.7929 1.8063 1.8569 1.8958 1.9646 2.0168 2.0541 2.1163 2.2151 2.2765 2.6140 2.6514 2.7650 2.8094 3.0079 3.0445 3.3411 3.3492 3.4195 3.4437 3.7509 3.7710 4.1176 4.1335 4.2822 4.2903 4.3736 4.3813 4.5022 4.5180 4.6756 4.6874 5.0470 5.0511 5.2582 5.2669 5.4793 5.4859 5.8481 5.8512 11.4714 11.4784 11.9564 11.9652 12.2786 12.2917 12.7881 12.7983 13.9348 13.9391 14.4691 14.4805 14.8985 14.9174 15.3321 15.3398 k = 0.2959 0.2976-0.1066 ( 4678 PWs) bands (ev): -11.7943 -11.7938 -11.3998 -11.3974 -11.3633 -11.3632 -10.8043 -10.8035 -10.5620 -10.5615 -10.3433 -10.3432 0.0532 0.0769 0.1538 0.2052 0.4085 0.4491 0.5172 0.5595 0.5747 0.6034 0.7744 0.8443 0.9106 0.9977 1.0112 1.0279 1.0639 1.0805 1.1850 1.2786 1.3026 1.3521 1.4671 1.5464 1.6865 1.7468 1.7856 1.8096 1.8565 1.8987 1.9677 2.0130 2.0569 2.1119 2.2276 2.2880 2.6087 2.6405 2.7639 2.8038 3.0236 3.0583 3.3542 3.3607 3.4455 3.4689 3.7634 3.7818 4.1291 4.1444 4.2809 4.2910 4.3892 4.3968 4.4994 4.5129 4.6792 4.6940 5.0625 5.0670 5.2703 5.2789 5.4948 5.5020 5.8625 5.8655 11.4130 11.4196 11.9177 11.9260 12.2459 12.2584 12.7771 12.7869 13.9545 13.9591 14.5045 14.5159 14.9525 14.9713 15.3066 15.3144 k = 0.2857 0.2976-0.1066 ( 4680 PWs) bands (ev): -11.8173 -11.8168 -11.4070 -11.4047 -11.3731 -11.3730 -10.8091 -10.8082 -10.5555 -10.5552 -10.3459 -10.3459 0.0648 0.0892 0.1582 0.2117 0.4098 0.4508 0.5186 0.5632 0.6000 0.6234 0.7709 0.8388 0.9019 1.0005 1.0077 1.0240 1.0620 1.0772 1.1810 1.2795 1.3053 1.3581 1.4681 1.5453 1.6968 1.7381 1.7800 1.8090 1.8583 1.9056 1.9720 2.0096 2.0597 2.1096 2.2403 2.2995 2.5986 2.6256 2.7672 2.8014 3.0362 3.0685 3.3687 3.3736 3.4751 3.4973 3.7768 3.7929 4.1403 4.1553 4.2796 4.2915 4.4042 4.4112 4.4949 4.5069 4.6861 4.7031 5.0800 5.0849 5.2820 5.2904 5.5098 5.5177 5.8774 5.8803 11.3545 11.3608 11.8775 11.8852 12.2092 12.2210 12.7658 12.7752 13.9716 13.9762 14.5335 14.5449 15.0080 15.0259 15.2917 15.2991 k = 0.2755 0.2976-0.1066 ( 4676 PWs) bands (ev): -11.8401 -11.8396 -11.4143 -11.4120 -11.3830 -11.3828 -10.8143 -10.8134 -10.5495 -10.5492 -10.3484 -10.3483 0.0745 0.0985 0.1651 0.2198 0.4107 0.4519 0.5201 0.5664 0.6223 0.6422 0.7688 0.8322 0.8930 0.9898 1.0144 1.0224 1.0618 1.0790 1.1775 1.2792 1.3083 1.3650 1.4696 1.5449 1.7002 1.7299 1.7780 1.8055 1.8627 1.9149 1.9777 2.0071 2.0625 2.1099 2.2529 2.3104 2.5851 2.6091 2.7725 2.8011 3.0460 3.0758 3.3834 3.3879 3.5082 3.5289 3.7905 3.8038 4.1514 4.1663 4.2787 4.2920 4.4175 4.4239 4.4902 4.5019 4.6959 4.7140 5.0990 5.1045 5.2933 5.3015 5.5245 5.5329 5.8928 5.8956 11.2960 11.3019 11.8358 11.8429 12.1686 12.1799 12.7545 12.7635 13.9855 13.9901 14.5551 14.5668 15.0632 15.0787 15.2905 15.2963 k = 0.2653 0.2976-0.1066 ( 4676 PWs) bands (ev): -11.8626 -11.8621 -11.4218 -11.4195 -11.3928 -11.3926 -10.8197 -10.8188 -10.5439 -10.5437 -10.3507 -10.3506 0.0821 0.1045 0.1742 0.2291 0.4111 0.4522 0.5220 0.5697 0.6396 0.6603 0.7688 0.8248 0.8845 0.9792 1.0110 1.0306 1.0620 1.0862 1.1746 1.2778 1.3114 1.3724 1.4714 1.5452 1.6962 1.7218 1.7789 1.8013 1.8703 1.9248 1.9842 2.0065 2.0655 2.1127 2.2651 2.3206 2.5694 2.5921 2.7782 2.8017 3.0534 3.0806 3.3973 3.4032 3.5445 3.5637 3.8038 3.8142 4.1625 4.1775 4.2786 4.2927 4.4272 4.4340 4.4877 4.5003 4.7082 4.7267 5.1192 5.1253 5.3042 5.3121 5.5387 5.5476 5.9086 5.9113 11.2376 11.2430 11.7927 11.7993 12.1245 12.1352 12.7430 12.7516 13.9957 14.0001 14.5691 14.5813 15.1158 15.1267 15.3048 15.3078 k = 0.2551 0.2976-0.1066 ( 4674 PWs) bands (ev): -11.8847 -11.8843 -11.4292 -11.4270 -11.4025 -11.4023 -10.8254 -10.8245 -10.5389 -10.5387 -10.3528 -10.3527 0.0877 0.1079 0.1849 0.2394 0.4110 0.4518 0.5243 0.5732 0.6508 0.6779 0.7707 0.8172 0.8765 0.9695 1.0071 1.0353 1.0679 1.0961 1.1724 1.2756 1.3148 1.3800 1.4738 1.5462 1.6879 1.7132 1.7786 1.7986 1.8816 1.9340 1.9896 2.0099 2.0699 2.1181 2.2767 2.3299 2.5530 2.5755 2.7835 2.8024 3.0589 3.0835 3.4104 3.4186 3.5835 3.6011 3.8162 3.8234 4.1739 4.1887 4.2794 4.2936 4.4316 4.4405 4.4898 4.5040 4.7226 4.7409 5.1402 5.1469 5.3149 5.3223 5.5523 5.5617 5.9248 5.9274 11.1792 11.1842 11.7483 11.7543 12.0773 12.0875 12.7313 12.7395 14.0016 14.0057 14.5763 14.5891 15.1638 15.1686 15.3313 15.3362 k = 0.2449 0.2976-0.1066 ( 4676 PWs) bands (ev): -11.9065 -11.9060 -11.4368 -11.4346 -11.4122 -11.4119 -10.8313 -10.8303 -10.5344 -10.5343 -10.3547 -10.3545 0.0914 0.1095 0.1959 0.2502 0.4103 0.4506 0.5269 0.5772 0.6568 0.6937 0.7740 0.8106 0.8694 0.9617 1.0040 1.0339 1.0808 1.1070 1.1711 1.2728 1.3183 1.3878 1.4770 1.5478 1.6776 1.7039 1.7748 1.7975 1.8967 1.9419 1.9922 2.0182 2.0766 2.1259 2.2876 2.3380 2.5368 2.5594 2.7879 2.8028 3.0629 3.0851 3.4230 3.4334 3.6247 3.6407 3.8269 3.8312 4.1854 4.1995 4.2811 4.2946 4.4326 4.4428 4.4980 4.5127 4.7392 4.7568 5.1615 5.1689 5.3254 5.3321 5.5654 5.5752 5.9414 5.9439 11.1209 11.1256 11.7027 11.7081 12.0274 12.0371 12.7195 12.7273 14.0025 14.0063 14.5779 14.5913 15.2048 15.2085 15.3655 15.3749 k = 0.2347 0.2976-0.1066 ( 4676 PWs) bands (ev): -11.9277 -11.9273 -11.4443 -11.4421 -11.4217 -11.4214 -10.8372 -10.8363 -10.5305 -10.5304 -10.3563 -10.3561 0.0934 0.1098 0.2066 0.2609 0.4090 0.4486 0.5299 0.5814 0.6592 0.7055 0.7779 0.8067 0.8637 0.9559 1.0017 1.0300 1.0968 1.1179 1.1712 1.2695 1.3220 1.3953 1.4811 1.5501 1.6667 1.6944 1.7689 1.7963 1.9141 1.9490 1.9937 2.0288 2.0870 2.1358 2.2977 2.3447 2.5215 2.5441 2.7910 2.8027 3.0656 3.0856 3.4348 3.4470 3.6676 3.6818 3.8349 3.8376 4.1965 4.2092 4.2836 4.2959 4.4334 4.4433 4.5106 4.5248 4.7581 4.7747 5.1826 5.1908 5.3357 5.3417 5.5778 5.5880 5.9583 5.9608 11.0629 11.0672 11.6561 11.6610 11.9751 11.9843 12.7075 12.7149 13.9981 14.0016 14.5759 14.5896 15.2402 15.2486 15.3984 15.4095 k = 0.2245 0.2976-0.1066 ( 4672 PWs) bands (ev): -11.9485 -11.9481 -11.4518 -11.4496 -11.4310 -11.4307 -10.8432 -10.8423 -10.5272 -10.5272 -10.3576 -10.3574 0.0940 0.1092 0.2166 0.2711 0.4071 0.4459 0.5329 0.5860 0.6593 0.7116 0.7824 0.8060 0.8606 0.9522 1.0000 1.0253 1.1136 1.1276 1.1735 1.2658 1.3259 1.4026 1.4863 1.5530 1.6558 1.6851 1.7623 1.7941 1.9315 1.9565 1.9956 2.0391 2.1015 2.1478 2.3068 2.3497 2.5077 2.5299 2.7929 2.8020 3.0674 3.0855 3.4458 3.4594 3.7113 3.7236 3.8393 3.8435 4.2065 4.2169 4.2865 4.2974 4.4368 4.4454 4.5256 4.5388 4.7792 4.7947 5.2030 5.2122 5.3460 5.3511 5.5897 5.6002 5.9755 5.9779 11.0051 11.0090 11.6086 11.6130 11.9209 11.9297 12.6952 12.7023 13.9880 13.9914 14.5720 14.5858 15.2737 15.2863 15.4133 15.4221 k = 0.2143 0.2976-0.1066 ( 4668 PWs) bands (ev): -11.9686 -11.9682 -11.4592 -11.4571 -11.4401 -11.4398 -10.8493 -10.8484 -10.5245 -10.5244 -10.3587 -10.3585 0.0935 0.1079 0.2254 0.2805 0.4046 0.4425 0.5358 0.5906 0.6580 0.7112 0.7885 0.8066 0.8616 0.9504 0.9990 1.0205 1.1295 1.1355 1.1788 1.2619 1.3301 1.4094 1.4927 1.5565 1.6454 1.6762 1.7554 1.7909 1.9449 1.9671 1.9989 2.0490 2.1193 2.1620 2.3150 2.3529 2.4959 2.5170 2.7933 2.8010 3.0686 3.0850 3.4558 3.4704 3.7549 3.7648 3.8414 3.8482 4.2142 4.2223 4.2892 4.2990 4.4444 4.4519 4.5420 4.5540 4.8027 4.8170 5.2224 5.2326 5.3564 5.3604 5.6010 5.6118 5.9929 5.9952 10.9477 10.9512 11.5606 11.5646 11.8652 11.8736 12.6827 12.6894 13.9725 13.9757 14.5675 14.5813 15.3014 15.3175 15.4037 15.4105 k = 0.2041 0.2976-0.1066 ( 4664 PWs) bands (ev): -11.9882 -11.9878 -11.4665 -11.4644 -11.4491 -11.4487 -10.8553 -10.8544 -10.5224 -10.5223 -10.3595 -10.3592 0.0920 0.1059 0.2331 0.2887 0.4013 0.4386 0.5386 0.5952 0.6557 0.7061 0.7959 0.8069 0.8673 0.9500 0.9987 1.0160 1.1379 1.1473 1.1873 1.2577 1.3345 1.4158 1.5001 1.5605 1.6356 1.6678 1.7486 1.7868 1.9528 1.9810 2.0047 2.0591 2.1390 2.1779 2.3223 2.3544 2.4863 2.5055 2.7925 2.7997 3.0694 3.0843 3.4648 3.4800 3.7953 3.8026 3.8434 3.8538 4.2186 4.2257 4.2912 4.3002 4.4568 4.4650 4.5593 4.5700 4.8286 4.8416 5.2403 5.2517 5.3670 5.3697 5.6117 5.6227 6.0104 6.0126 10.8907 10.8939 11.5123 11.5158 11.8085 11.8165 12.6698 12.6762 13.9519 13.9550 14.5632 14.5767 15.3066 15.3209 15.3996 15.4024 k = 0.1939 0.2976-0.1066 ( 4672 PWs) bands (ev): -12.0070 -12.0067 -11.4737 -11.4717 -11.4578 -11.4574 -10.8613 -10.8604 -10.5208 -10.5207 -10.3600 -10.3597 0.0899 0.1033 0.2395 0.2955 0.3974 0.4343 0.5411 0.5993 0.6526 0.6985 0.8016 0.8089 0.8768 0.9504 0.9986 1.0122 1.1403 1.1615 1.1979 1.2533 1.3394 1.4219 1.5085 1.5649 1.6266 1.6601 1.7418 1.7821 1.9579 1.9926 2.0154 2.0698 2.1588 2.1954 2.3288 2.3547 2.4793 2.4956 2.7907 2.7982 3.0699 3.0835 3.4728 3.4881 3.8201 3.8263 3.8576 3.8697 4.2197 4.2280 4.2921 4.3004 4.4740 4.4850 4.5772 4.5868 4.8567 4.8685 5.2564 5.2690 5.3777 5.3792 5.6219 5.6330 6.0280 6.0302 10.8342 10.8370 11.4639 11.4670 11.7511 11.7588 12.6567 12.6627 13.9267 13.9297 14.5596 14.5725 15.2767 15.2847 15.4191 15.4243 k = 0.1837 0.2976-0.1066 ( 4672 PWs) bands (ev): -12.0251 -12.0248 -11.4807 -11.4788 -11.4662 -11.4657 -10.8672 -10.8663 -10.5197 -10.5195 -10.3603 -10.3600 0.0872 0.1003 0.2448 0.3008 0.3928 0.4296 0.5436 0.6031 0.6489 0.6900 0.8026 0.8156 0.8887 0.9513 0.9980 1.0106 1.1411 1.1745 1.2093 1.2488 1.3448 1.4278 1.5175 1.5696 1.6186 1.6531 1.7351 1.7769 1.9624 2.0004 2.0305 2.0818 2.1774 2.2134 2.3344 2.3552 2.4745 2.4874 2.7882 2.7965 3.0704 3.0829 3.4797 3.4948 3.8228 3.8286 3.8919 3.8997 4.2192 4.2301 4.2916 4.2995 4.4958 4.5105 4.5956 4.6049 4.8870 4.8976 5.2706 5.2843 5.3883 5.3891 5.6315 5.6426 6.0456 6.0477 10.7783 10.7808 11.4157 11.4184 11.6935 11.7008 12.6433 12.6490 13.8979 13.9008 14.5564 14.5685 15.2301 15.2351 15.4473 15.4558 k = 0.1735 0.2976-0.1066 ( 4668 PWs) bands (ev): -12.0425 -12.0422 -11.4875 -11.4857 -11.4742 -11.4738 -10.8729 -10.8721 -10.5190 -10.5188 -10.3604 -10.3601 0.0840 0.0968 0.2490 0.3047 0.3876 0.4245 0.5460 0.6063 0.6445 0.6816 0.8032 0.8232 0.9016 0.9521 0.9960 1.0122 1.1413 1.1860 1.2204 1.2442 1.3511 1.4337 1.5267 1.5744 1.6117 1.6471 1.7287 1.7715 1.9669 2.0067 2.0472 2.0953 2.1932 2.2305 2.3387 2.3586 2.4718 2.4809 2.7855 2.7946 3.0710 3.0826 3.4857 3.5003 3.8178 3.8241 3.9268 3.9318 4.2192 4.2334 4.2898 4.2980 4.5209 4.5396 4.6146 4.6253 4.9193 4.9287 5.2828 5.2976 5.3982 5.3996 5.6407 5.6518 6.0632 6.0652 10.7232 10.7254 11.3681 11.3704 11.6361 11.6431 12.6297 12.6350 13.8662 13.8690 14.5533 14.5645 15.1789 15.1821 15.4765 15.4865 k = 0.1633 0.2976-0.1066 ( 4668 PWs) bands (ev): -12.0590 -12.0588 -11.4942 -11.4924 -11.4820 -11.4815 -10.8785 -10.8777 -10.5187 -10.5185 -10.3603 -10.3600 0.0805 0.0929 0.2523 0.3071 0.3821 0.4191 0.5484 0.6090 0.6397 0.6738 0.8045 0.8303 0.9144 0.9527 0.9933 1.0170 1.1410 1.1958 1.2303 1.2398 1.3583 1.4399 1.5357 1.5792 1.6060 1.6419 1.7224 1.7659 1.9717 2.0126 2.0645 2.1102 2.2051 2.2444 2.3428 2.3665 2.4703 2.4764 2.7828 2.7926 3.0719 3.0827 3.4908 3.5047 3.8101 3.8166 3.9554 3.9609 4.2216 4.2389 4.2869 4.2973 4.5470 4.5694 4.6353 4.6490 4.9532 4.9613 5.2930 5.3088 5.4077 5.4101 5.6494 5.6603 6.0807 6.0826 10.6690 10.6709 11.3212 11.3232 11.5792 11.5859 12.6160 12.6210 13.8325 13.8351 14.5498 14.5599 15.1273 15.1292 15.5037 15.5145 k = 0.1531 0.2976-0.1066 ( 4674 PWs) bands (ev): -12.0748 -12.0745 -11.5006 -11.4989 -11.4894 -11.4889 -10.8839 -10.8831 -10.5188 -10.5186 -10.3601 -10.3598 0.0767 0.0888 0.2547 0.3080 0.3762 0.4133 0.5510 0.6110 0.6347 0.6667 0.8069 0.8367 0.9257 0.9530 0.9912 1.0238 1.1407 1.2038 1.2347 1.2394 1.3666 1.4462 1.5440 1.5837 1.6018 1.6379 1.7164 1.7602 1.9768 2.0185 2.0821 2.1266 2.2125 2.2526 2.3498 2.3778 2.4691 2.4744 2.7803 2.7907 3.0733 3.0835 3.4950 3.5080 3.8007 3.8071 3.9759 3.9836 4.2271 4.2469 4.2839 4.3001 4.5717 4.5967 4.6605 4.6771 4.9883 4.9951 5.3015 5.3181 5.4166 5.4198 5.6576 5.6684 6.0979 6.0998 10.6159 10.6175 11.2755 11.2771 11.5233 11.5297 12.6022 12.6069 13.7976 13.8001 14.5452 14.5541 15.0775 15.0783 15.5279 15.5390 k = 0.1429 0.2976-0.1066 ( 4678 PWs) bands (ev): -12.0896 -12.0894 -11.5067 -11.5051 -11.4963 -11.4958 -10.8891 -10.8883 -10.5191 -10.5189 -10.3597 -10.3594 0.0727 0.0844 0.2564 0.3077 0.3703 0.4072 0.5538 0.6123 0.6301 0.6605 0.8102 0.8423 0.9341 0.9533 0.9908 1.0322 1.1405 1.2098 1.2312 1.2457 1.3760 1.4529 1.5511 1.5877 1.5992 1.6350 1.7107 1.7545 1.9825 2.0245 2.1002 2.1445 2.2158 2.2543 2.3610 2.3913 2.4677 2.4749 2.7782 2.7891 3.0753 3.0849 3.4986 3.5105 3.7901 3.7960 3.9885 3.9977 4.2334 4.2548 4.2848 4.3099 4.5934 4.6184 4.6921 4.7098 5.0242 5.0297 5.3084 5.3257 5.4247 5.4285 5.6655 5.6760 6.1149 6.1167 10.5642 10.5655 11.2311 11.2325 11.4688 11.4749 12.5885 12.5929 13.7622 13.7645 14.5389 14.5465 15.0306 15.0311 15.5485 15.5596 k = 0.1327 0.2976-0.1066 ( 4686 PWs) bands (ev): -12.1036 -12.1033 -11.5126 -11.5111 -11.5029 -11.5023 -10.8940 -10.8933 -10.5197 -10.5195 -10.3593 -10.3589 0.0687 0.0798 0.2575 0.3062 0.3645 0.4008 0.5568 0.6122 0.6266 0.6552 0.8140 0.8472 0.9381 0.9536 0.9937 1.0417 1.1404 1.2130 1.2287 1.2504 1.3864 1.4599 1.5564 1.5902 1.5993 1.6335 1.7052 1.7488 1.9885 2.0304 2.1190 2.1636 2.2156 2.2511 2.3749 2.4054 2.4669 2.4771 2.7766 2.7877 3.0781 3.0873 3.5017 3.5125 3.7784 3.7838 3.9937 4.0032 4.2360 4.2560 4.2985 4.3284 4.6117 4.6349 4.7294 4.7466 5.0602 5.0647 5.3140 5.3319 5.4316 5.4358 5.6731 5.6831 6.1314 6.1332 10.5140 10.5151 11.1884 11.1896 11.4159 11.4217 12.5750 12.5791 13.7269 13.7290 14.5302 14.5365 14.9876 14.9888 15.5655 15.5764 k = 0.1224 0.2976-0.1066 ( 4692 PWs) bands (ev): -12.1166 -12.1164 -11.5182 -11.5168 -11.5090 -11.5084 -10.8987 -10.8980 -10.5204 -10.5202 -10.3587 -10.3584 0.0647 0.0752 0.2580 0.3037 0.3589 0.3941 0.5601 0.6105 0.6249 0.6507 0.8183 0.8514 0.9385 0.9529 1.0001 1.0516 1.1407 1.2130 1.2281 1.2536 1.3976 1.4670 1.5598 1.5908 1.6022 1.6333 1.7000 1.7433 1.9950 2.0362 2.1382 2.1839 2.2129 2.2450 2.3890 2.4184 2.4674 2.4802 2.7757 2.7868 3.0819 3.0907 3.5045 3.5141 3.7659 3.7705 3.9931 4.0019 4.2343 4.2510 4.3240 4.3538 4.6268 4.6479 4.7702 4.7864 5.0957 5.0997 5.3186 5.3370 5.4370 5.4414 5.6802 5.6898 6.1475 6.1491 10.4657 10.4665 11.1476 11.1486 11.3652 11.3707 12.5617 12.5655 13.6923 13.6943 14.5188 14.5238 14.9498 14.9518 15.5790 15.5895 k = 0.1122 0.2976-0.1066 ( 4688 PWs) bands (ev): -12.1287 -12.1285 -11.5235 -11.5221 -11.5146 -11.5141 -10.9030 -10.9024 -10.5212 -10.5210 -10.3582 -10.3579 0.0607 0.0706 0.2583 0.3004 0.3536 0.3874 0.5636 0.6076 0.6246 0.6471 0.8228 0.8550 0.9370 0.9508 1.0089 1.0616 1.1416 1.2107 1.2285 1.2554 1.4094 1.4742 1.5614 1.5903 1.6067 1.6344 1.6953 1.7381 2.0018 2.0419 2.1575 2.2039 2.2097 2.2381 2.4017 2.4291 2.4697 2.4841 2.7753 2.7864 3.0867 3.0952 3.5071 3.5156 3.7525 3.7563 3.9882 3.9959 4.2300 4.2440 4.3550 4.3831 4.6395 4.6584 4.8126 4.8278 5.1298 5.1345 5.3222 5.3412 5.4406 5.4451 5.6870 5.6960 6.1630 6.1645 10.4195 10.4201 11.1091 11.1099 11.3170 11.3221 12.5489 12.5524 13.6590 13.6608 14.5046 14.5083 14.9176 14.9204 15.5893 15.5993 k = 0.1020 0.2976-0.1066 ( 4690 PWs) bands (ev): -12.1398 -12.1396 -11.5284 -11.5272 -11.5198 -11.5192 -10.9071 -10.9065 -10.5221 -10.5219 -10.3576 -10.3574 0.0569 0.0661 0.2581 0.2966 0.3488 0.3805 0.5672 0.6045 0.6248 0.6444 0.8273 0.8581 0.9345 0.9476 1.0188 1.0711 1.1431 1.2075 1.2286 1.2561 1.4215 1.4813 1.5617 1.5893 1.6116 1.6365 1.6910 1.7331 2.0090 2.0475 2.1745 2.2032 2.2250 2.2351 2.4120 2.4364 2.4739 2.4885 2.7754 2.7864 3.0926 3.1009 3.5096 3.5173 3.7384 3.7415 3.9805 3.9869 4.2245 4.2363 4.3881 4.4142 4.6502 4.6673 4.8555 4.8698 5.1622 5.1686 5.3252 5.3447 5.4425 5.4468 5.6933 5.7017 6.1777 6.1792 10.3757 10.3762 11.0730 11.0737 11.2715 11.2763 12.5367 12.5398 13.6272 13.6288 14.4877 14.4903 14.8913 14.8946 15.5969 15.6062 k = 0.0918 0.2976-0.1066 ( 4690 PWs) bands (ev): -12.1499 -12.1497 -11.5329 -11.5318 -11.5245 -11.5239 -10.9108 -10.9103 -10.5231 -10.5229 -10.3571 -10.3568 0.0533 0.0617 0.2578 0.2923 0.3444 0.3738 0.5708 0.6015 0.6251 0.6425 0.8319 0.8607 0.9315 0.9438 1.0289 1.0796 1.1457 1.2044 1.2280 1.2558 1.4336 1.4882 1.5612 1.5878 1.6164 1.6393 1.6873 1.7285 2.0163 2.0530 2.1835 2.1991 2.2313 2.2524 2.4196 2.4406 2.4793 2.4931 2.7760 2.7866 3.0996 3.1077 3.5122 3.5194 3.7236 3.7263 3.9712 3.9762 4.2185 4.2286 4.4214 4.4453 4.6592 4.6747 4.8982 4.9117 5.1924 5.2010 5.3276 5.3478 5.4424 5.4465 5.6992 5.7069 6.1917 6.1930 10.3347 10.3351 11.0395 11.0401 11.2293 11.2337 12.5251 12.5279 13.5974 13.5989 14.4686 14.4704 14.8704 14.8740 15.6021 15.6107 k = 0.0816 0.2976-0.1066 ( 4690 PWs) bands (ev): -12.1590 -12.1588 -11.5370 -11.5361 -11.5287 -11.5282 -10.9142 -10.9137 -10.5240 -10.5238 -10.3565 -10.3563 0.0499 0.0575 0.2574 0.2879 0.3406 0.3673 0.5743 0.5988 0.6253 0.6413 0.8363 0.8628 0.9283 0.9398 1.0387 1.0866 1.1494 1.2016 1.2265 1.2546 1.4456 1.4949 1.5601 1.5857 1.6207 1.6425 1.6842 1.7243 2.0239 2.0582 2.1816 2.1940 2.2444 2.2750 2.4245 2.4428 2.4845 2.4974 2.7767 2.7869 3.1076 3.1154 3.5151 3.5224 3.7081 3.7108 3.9610 3.9649 4.2124 4.2210 4.4536 4.4753 4.6668 4.6808 4.9399 4.9527 5.2199 5.2313 5.3296 5.3505 5.4405 5.4441 5.7046 5.7116 6.2047 6.2058 10.2968 10.2971 11.0090 11.0095 11.1905 11.1945 12.5144 12.5169 13.5699 13.5712 14.4484 14.4495 14.8543 14.8580 15.6055 15.6132 k = 0.0714 0.2976-0.1066 ( 4690 PWs) bands (ev): -12.1670 -12.1669 -11.5407 -11.5399 -11.5324 -11.5319 -10.9172 -10.9168 -10.5249 -10.5247 -10.3560 -10.3558 0.0469 0.0537 0.2569 0.2834 0.3373 0.3611 0.5775 0.5966 0.6256 0.6406 0.8406 0.8647 0.9250 0.9357 1.0481 1.0919 1.1543 1.1993 1.2243 1.2526 1.4572 1.5013 1.5587 1.5832 1.6246 1.6456 1.6820 1.7204 2.0316 2.0633 2.1756 2.1862 2.2639 2.2978 2.4270 2.4441 2.4884 2.5009 2.7776 2.7872 3.1163 3.1237 3.5185 3.5262 3.6919 3.6953 3.9506 3.9535 4.2066 4.2139 4.4838 4.5034 4.6733 4.6859 4.9801 4.9922 5.2443 5.2587 5.3318 5.3532 5.4369 5.4398 5.7094 5.7156 6.2165 6.2176 10.2624 10.2626 10.9816 10.9820 11.1555 11.1591 12.5046 12.5068 13.5450 13.5462 14.4279 14.4286 14.8422 14.8458 15.6074 15.6142 k = 0.0612 0.2976-0.1066 ( 4694 PWs) bands (ev): -12.1741 -12.1739 -11.5439 -11.5432 -11.5356 -11.5352 -10.9198 -10.9194 -10.5257 -10.5256 -10.3556 -10.3554 0.0442 0.0501 0.2565 0.2790 0.3347 0.3553 0.5803 0.5948 0.6260 0.6400 0.8448 0.8661 0.9219 0.9317 1.0568 1.0955 1.1600 1.1979 1.2215 1.2499 1.4684 1.5072 1.5569 1.5802 1.6279 1.6480 1.6810 1.7169 2.0393 2.0681 2.1686 2.1775 2.2852 2.3202 2.4272 2.4449 2.4909 2.5033 2.7784 2.7872 3.1253 3.1322 3.5228 3.5312 3.6754 3.6796 3.9405 3.9427 4.2013 4.2074 4.5114 4.5288 4.6786 4.6900 5.0181 5.0296 5.2651 5.2819 5.3347 5.3559 5.4318 5.4338 5.7137 5.7190 6.2272 6.2281 10.2318 10.2319 10.9574 10.9578 11.1246 11.1278 12.4958 12.4977 13.5230 13.5240 14.4082 14.4086 14.8333 14.8367 15.6083 15.6141 k = 0.0510 0.2976-0.1066 ( 4690 PWs) bands (ev): -12.1800 -12.1799 -11.5467 -11.5461 -11.5383 -11.5379 -10.9220 -10.9217 -10.5265 -10.5263 -10.3552 -10.3550 0.0420 0.0469 0.2563 0.2749 0.3327 0.3501 0.5827 0.5933 0.6268 0.6396 0.8487 0.8671 0.9191 0.9279 1.0648 1.0976 1.1662 1.1973 1.2185 1.2465 1.4789 1.5125 1.5550 1.5768 1.6308 1.6493 1.6815 1.7135 2.0471 2.0725 2.1616 2.1687 2.3066 2.3417 2.4257 2.4452 2.4920 2.5044 2.7791 2.7869 3.1342 3.1405 3.5281 3.5373 3.6586 3.6640 3.9313 3.9328 4.1967 4.2016 4.5359 4.5510 4.6830 4.6931 5.0535 5.0640 5.2818 5.2991 5.3402 5.3591 5.4250 5.4270 5.7173 5.7218 6.2364 6.2372 10.2052 10.2054 10.9367 10.9371 11.0981 11.1007 12.4883 12.4898 13.5040 13.5049 14.3902 14.3905 14.8269 14.8299 15.6085 15.6134 k = 0.0408 0.2976-0.1066 ( 4694 PWs) bands (ev): -12.1849 -12.1848 -11.5490 -11.5485 -11.5405 -11.5402 -10.9239 -10.9236 -10.5271 -10.5270 -10.3548 -10.3547 0.0402 0.0442 0.2563 0.2710 0.3313 0.3453 0.5846 0.5922 0.6279 0.6390 0.8525 0.8676 0.9168 0.9243 1.0719 1.0985 1.1723 1.1975 1.2157 1.2425 1.4888 1.5171 1.5531 1.5729 1.6334 1.6494 1.6834 1.7103 2.0547 2.0764 2.1549 2.1604 2.3272 2.3618 2.4227 2.4444 2.4922 2.5042 2.7797 2.7863 3.1425 3.1480 3.5347 3.5447 3.6420 3.6485 3.9232 3.9243 4.1928 4.1967 4.5569 4.5695 4.6866 4.6952 5.0853 5.0948 5.2939 5.3084 5.3496 5.3629 5.4165 5.4203 5.7204 5.7240 6.2442 6.2448 10.1831 10.1832 10.9196 10.9199 11.0761 11.0782 12.4819 12.4832 13.4883 13.4889 14.3745 14.3748 14.8225 14.8250 15.6083 15.6122 k = 0.0306 0.2976-0.1066 ( 4696 PWs) bands (ev): -12.1887 -12.1886 -11.5507 -11.5504 -11.5422 -11.5420 -10.9253 -10.9251 -10.5276 -10.5275 -10.3545 -10.3545 0.0389 0.0419 0.2567 0.2676 0.3306 0.3412 0.5861 0.5912 0.6294 0.6382 0.8559 0.8676 0.9151 0.9211 1.0782 1.0982 1.1780 1.1978 1.2139 1.2380 1.4977 1.5205 1.5518 1.5687 1.6359 1.6485 1.6862 1.7071 2.0620 2.0794 2.1489 2.1531 2.3465 2.3802 2.4180 2.4423 2.4922 2.5028 2.7802 2.7854 3.1498 3.1542 3.5429 3.5532 3.6257 3.6333 3.9166 3.9173 4.1898 4.1926 4.5741 4.5839 4.6896 4.6965 5.1129 5.1209 5.3018 5.3117 5.3603 5.3680 5.4072 5.4138 5.7228 5.7256 6.2504 6.2508 10.1656 10.1657 10.9061 10.9063 11.0589 11.0605 12.4770 12.4779 13.4759 13.4764 14.3618 14.3621 14.8195 14.8214 15.6080 15.6110 k = 0.0204 0.2976-0.1066 ( 4692 PWs) bands (ev): -12.1914 -12.1914 -11.5520 -11.5518 -11.5434 -11.5433 -10.9263 -10.9262 -10.5280 -10.5279 -10.3543 -10.3543 0.0381 0.0401 0.2574 0.2646 0.3307 0.3377 0.5873 0.5904 0.6310 0.6372 0.8591 0.8671 0.9141 0.9184 1.0837 1.0970 1.1829 1.1971 1.2146 1.2330 1.5057 1.5221 1.5516 1.5644 1.6382 1.6469 1.6897 1.7039 2.0688 2.0812 2.1441 2.1471 2.3639 2.3964 2.4119 2.4382 2.4925 2.5006 2.7808 2.7844 3.1556 3.1587 3.5524 3.5626 3.6104 3.6187 3.9118 3.9122 4.1877 4.1896 4.5872 4.5940 4.6920 4.6969 5.1349 5.1408 5.3061 5.3118 5.3679 5.3760 5.3981 5.4077 5.7247 5.7266 6.2549 6.2552 10.1529 10.1530 10.8965 10.8966 11.0465 11.0476 12.4734 12.4741 13.4670 13.4673 14.3525 14.3527 14.8177 14.8190 15.6078 15.6098 k = 0.0102 0.2976-0.1066 ( 4696 PWs) bands (ev): -12.1930 -12.1930 -11.5527 -11.5526 -11.5442 -11.5441 -10.9269 -10.9269 -10.5282 -10.5281 -10.3542 -10.3542 0.0378 0.0388 0.2585 0.2621 0.3314 0.3349 0.5882 0.5897 0.6327 0.6359 0.8618 0.8659 0.9140 0.9162 1.0883 1.0949 1.1872 1.1946 1.2177 1.2277 1.5125 1.5211 1.5531 1.5600 1.6405 1.6449 1.6933 1.7005 2.0747 2.0812 2.1412 2.1429 2.3792 2.4023 2.4117 2.4318 2.4935 2.4980 2.7815 2.7833 3.1596 3.1612 3.5630 3.5716 3.5976 3.6052 3.9088 3.9090 4.1866 4.1875 4.5959 4.5994 4.6940 4.6965 5.1498 5.1530 5.3082 5.3107 5.3737 5.3827 5.3919 5.4016 5.7260 5.7269 6.2577 6.2578 10.1453 10.1453 10.8906 10.8907 11.0392 11.0397 12.4714 12.4717 13.4617 13.4618 14.3468 14.3469 14.8168 14.8175 15.6078 15.6088 k = 0.0000 0.2976-0.1066 ( 4690 PWs) bands (ev): -12.1936 -12.1936 -11.5529 -11.5529 -11.5444 -11.5444 -10.9271 -10.9271 -10.5282 -10.5282 -10.3542 -10.3542 0.0380 0.0380 0.2601 0.2601 0.3328 0.3328 0.5890 0.5890 0.6344 0.6344 0.8641 0.8641 0.9148 0.9148 1.0920 1.0920 1.1912 1.1912 1.2224 1.2224 1.5178 1.5178 1.5561 1.5561 1.6428 1.6428 1.6970 1.6970 2.0790 2.0790 2.1408 2.1408 2.3922 2.3922 2.4228 2.4228 2.4955 2.4955 2.7824 2.7824 3.1615 3.1615 3.5724 3.5724 3.5951 3.5951 3.9079 3.9079 4.1866 4.1866 4.6000 4.6000 4.6955 4.6955 5.1562 5.1562 5.3094 5.3094 5.3795 5.3795 5.3955 5.3955 5.7268 5.7268 6.2586 6.2586 10.1427 10.1427 10.8887 10.8887 11.0369 11.0369 12.4708 12.4708 13.4599 13.4599 14.3449 14.3449 14.8168 14.8168 15.6081 15.6081 k = 0.0000 0.2976-0.1066 ( 4690 PWs) bands (ev): -12.1936 -12.1936 -11.5529 -11.5529 -11.5444 -11.5444 -10.9271 -10.9271 -10.5282 -10.5282 -10.3542 -10.3542 0.0380 0.0380 0.2601 0.2601 0.3328 0.3328 0.5890 0.5890 0.6344 0.6344 0.8641 0.8641 0.9148 0.9148 1.0920 1.0920 1.1912 1.1912 1.2224 1.2224 1.5178 1.5178 1.5561 1.5561 1.6428 1.6428 1.6970 1.6970 2.0790 2.0790 2.1408 2.1408 2.3922 2.3922 2.4228 2.4228 2.4955 2.4955 2.7824 2.7824 3.1615 3.1615 3.5724 3.5724 3.5951 3.5951 3.9079 3.9079 4.1866 4.1866 4.6000 4.6000 4.6955 4.6955 5.1562 5.1562 5.3094 5.3094 5.3795 5.3795 5.3955 5.3955 5.7268 5.7268 6.2586 6.2586 10.1427 10.1427 10.8887 10.8887 11.0369 11.0369 12.4708 12.4708 13.4599 13.4599 14.3449 14.3449 14.8168 14.8168 15.6081 15.6081 k = 0.0000 0.3008-0.0975 ( 4693 PWs) bands (ev): -12.1934 -12.1934 -11.5611 -11.5606 -11.5370 -11.5365 -10.9271 -10.9271 -10.5280 -10.5280 -10.3543 -10.3542 0.0365 0.0391 0.2600 0.2611 0.3323 0.3338 0.5889 0.5893 0.6335 0.6352 0.8626 0.8657 0.9127 0.9162 1.0915 1.0917 1.1883 1.1932 1.2224 1.2231 1.5135 1.5202 1.5566 1.5572 1.6423 1.6434 1.6958 1.6985 2.0783 2.0793 2.1368 2.1409 2.3907 2.3939 2.4202 2.4259 2.4944 2.4974 2.7806 2.7873 3.1607 3.1635 3.5724 3.5726 3.5951 3.5953 3.9044 3.9080 4.1881 4.1902 4.5991 4.6002 4.6941 4.6961 5.1557 5.1562 5.3090 5.3094 5.3786 5.3806 5.3949 5.3959 5.7256 5.7262 6.2585 6.2585 10.1432 10.1435 10.8867 10.8885 11.0374 11.0390 12.4710 12.4714 13.4592 13.4599 14.3438 14.3445 14.8154 14.8163 15.6084 15.6094 k = 0.0000 0.3041-0.0884 ( 4691 PWs) bands (ev): -12.1929 -12.1928 -11.5724 -11.5719 -11.5265 -11.5261 -10.9271 -10.9271 -10.5274 -10.5273 -10.3547 -10.3545 0.0347 0.0398 0.2607 0.2630 0.3324 0.3354 0.5890 0.5899 0.6326 0.6362 0.8611 0.8673 0.9101 0.9171 1.0901 1.0905 1.1848 1.1941 1.2229 1.2246 1.5080 1.5206 1.5582 1.5599 1.6421 1.6441 1.6948 1.7003 2.0771 2.0791 2.1293 2.1371 2.3893 2.3956 2.4180 2.4290 2.4948 2.5001 2.7820 2.7949 3.1611 3.1666 3.5724 3.5727 3.5951 3.5957 3.8981 3.9050 4.1947 4.1986 4.5975 4.5997 4.6919 4.6959 5.1549 5.1560 5.3080 5.3088 5.3777 5.3818 5.3945 5.3967 5.7228 5.7238 6.2581 6.2582 10.1448 10.1454 10.8825 10.8860 11.0408 11.0437 12.4722 12.4729 13.4577 13.4592 14.3410 14.3424 14.8121 14.8139 15.6103 15.6122 k = 0.0000 0.3074-0.0793 ( 4688 PWs) bands (ev): -12.1919 -12.1918 -11.5842 -11.5837 -11.5162 -11.5157 -10.9271 -10.9270 -10.5263 -10.5261 -10.3552 -10.3550 0.0325 0.0400 0.2624 0.2656 0.3330 0.3375 0.5891 0.5907 0.6316 0.6372 0.8595 0.8688 0.9068 0.9176 1.0879 1.0883 1.1809 1.1941 1.2236 1.2266 1.5021 1.5196 1.5603 1.5636 1.6420 1.6450 1.6942 1.7025 2.0752 2.0784 2.1192 2.1301 2.3875 2.3967 2.4159 2.4313 2.4979 2.5041 2.7863 2.8048 3.1629 3.1709 3.5725 3.5730 3.5952 3.5961 3.8899 3.8997 4.2055 4.2109 4.5952 4.5984 4.6891 4.6951 5.1537 5.1553 5.3064 5.3076 5.3761 5.3822 5.3950 5.3983 5.7183 5.7199 6.2574 6.2576 10.1475 10.1484 10.8761 10.8808 11.0472 11.0512 12.4742 12.4753 13.4553 13.4576 14.3367 14.3389 14.8070 14.8095 15.6138 15.6165 k = 0.0000 0.3106-0.0702 ( 4683 PWs) bands (ev): -12.1907 -12.1905 -11.5962 -11.5957 -11.5062 -11.5057 -10.9272 -10.9270 -10.5248 -10.5245 -10.3560 -10.3556 0.0300 0.0397 0.2650 0.2690 0.3343 0.3401 0.5892 0.5917 0.6304 0.6386 0.8580 0.8702 0.9030 0.9177 1.0850 1.0852 1.1768 1.1934 1.2246 1.2290 1.4962 1.5176 1.5627 1.5678 1.6422 1.6459 1.6938 1.7049 2.0719 2.0767 2.1079 2.1207 2.3851 2.3962 2.4138 2.4319 2.5046 2.5099 2.7931 2.8163 3.1661 3.1763 3.5725 3.5732 3.5955 3.5966 3.8809 3.8931 4.2193 4.2258 4.5924 4.5965 4.6859 4.6939 5.1522 5.1542 5.3040 5.3057 5.3736 5.3808 5.3976 5.4013 5.7123 5.7144 6.2565 6.2567 10.1511 10.1522 10.8675 10.8730 11.0571 11.0616 12.4772 12.4787 13.4519 13.4550 14.3310 14.3339 14.7999 14.8030 15.6189 15.6224 k = 0.0000 0.3139-0.0611 ( 4683 PWs) bands (ev): -12.1891 -12.1889 -11.6082 -11.6077 -11.4965 -11.4960 -10.9273 -10.9271 -10.5229 -10.5225 -10.3569 -10.3565 0.0274 0.0390 0.2684 0.2730 0.3360 0.3431 0.5892 0.5929 0.6290 0.6402 0.8563 0.8711 0.8990 0.9176 1.0811 1.0814 1.1729 1.1922 1.2256 1.2315 1.4907 1.5151 1.5650 1.5720 1.6425 1.6469 1.6937 1.7076 2.0660 2.0735 2.0974 2.1105 2.3817 2.3934 2.4119 2.4309 2.5148 2.5177 2.8018 2.8286 3.1709 3.1830 3.5723 3.5733 3.5959 3.5971 3.8720 3.8862 4.2349 4.2423 4.5891 4.5941 4.6826 4.6926 5.1503 5.1528 5.3007 5.3029 5.3700 5.3776 5.4024 5.4058 5.7049 5.7074 6.2553 6.2556 10.1553 10.1566 10.8565 10.8625 11.0704 11.0752 12.4812 12.4831 13.4474 13.4513 14.3239 14.3277 14.7908 14.7943 15.6258 15.6298 k = 0.0000 0.3171-0.0519 ( 4683 PWs) bands (ev): -12.1872 -12.1870 -11.6203 -11.6198 -11.4871 -11.4867 -10.9274 -10.9273 -10.5204 -10.5200 -10.3581 -10.3577 0.0247 0.0379 0.2727 0.2776 0.3383 0.3465 0.5889 0.5943 0.6274 0.6422 0.8545 0.8709 0.8952 0.9172 1.0762 1.0773 1.1691 1.1907 1.2265 1.2339 1.4859 1.5125 1.5671 1.5758 1.6429 1.6478 1.6938 1.7106 2.0561 2.0673 2.0898 2.1012 2.3771 2.3880 2.4106 2.4288 2.5273 2.5275 2.8117 2.8410 3.1774 3.1909 3.5719 3.5734 3.5964 3.5977 3.8643 3.8799 4.2512 4.2592 4.5854 4.5910 4.6797 4.6915 5.1481 5.1509 5.2962 5.2990 5.3657 5.3733 5.4086 5.4116 5.6963 5.6993 6.2539 6.2542 10.1598 10.1613 10.8436 10.8498 11.0873 11.0920 12.4862 12.4886 13.4416 13.4463 14.3156 14.3203 14.7799 14.7835 15.6343 15.6387 k = 0.0000 0.3204-0.0428 ( 4682 PWs) bands (ev): -12.1851 -12.1849 -11.6323 -11.6318 -11.4781 -11.4777 -10.9277 -10.9275 -10.5176 -10.5171 -10.3595 -10.3590 0.0220 0.0365 0.2777 0.2828 0.3411 0.3504 0.5884 0.5957 0.6256 0.6446 0.8525 0.8689 0.8927 0.9168 1.0706 1.0727 1.1656 1.1890 1.2275 1.2361 1.4821 1.5099 1.5689 1.5791 1.6434 1.6486 1.6941 1.7136 2.0426 2.0569 2.0852 2.0948 2.3715 2.3804 2.4097 2.4264 2.5382 2.5416 2.8221 2.8528 3.1856 3.2001 3.5714 3.5733 3.5970 3.5983 3.8584 3.8748 4.2674 4.2757 4.5814 4.5875 4.6775 4.6912 5.1455 5.1487 5.2902 5.2937 5.3610 5.3683 5.4161 5.4186 5.6866 5.6902 6.2523 6.2526 10.1641 10.1657 10.8290 10.8352 11.1077 11.1120 12.4923 12.4952 13.4342 13.4399 14.3061 14.3119 14.7670 14.7705 15.6445 15.6492 k = 0.0000 0.3237-0.0337 ( 4681 PWs) bands (ev): -12.1828 -12.1826 -11.6442 -11.6437 -11.4695 -11.4691 -10.9282 -10.9280 -10.5143 -10.5138 -10.3612 -10.3606 0.0193 0.0349 0.2834 0.2885 0.3444 0.3545 0.5875 0.5970 0.6235 0.6473 0.8502 0.8646 0.8919 0.9165 1.0643 1.0677 1.1626 1.1873 1.2283 1.2380 1.4793 1.5075 1.5705 1.5820 1.6440 1.6493 1.6947 1.7166 2.0273 2.0431 2.0823 2.0910 2.3651 2.3714 2.4091 2.4240 2.5497 2.5563 2.8325 2.8636 3.1957 3.2106 3.5707 3.5732 3.5976 3.5990 3.8546 3.8713 4.2828 4.2911 4.5772 4.5836 4.6765 4.6919 5.1426 5.1461 5.2823 5.2867 5.3564 5.3631 5.4246 5.4267 5.6762 5.6803 6.2504 6.2507 10.1676 10.1693 10.8134 10.8196 11.1313 11.1352 12.4994 12.5028 13.4253 13.4319 14.2955 14.3023 14.7523 14.7556 15.6564 15.6612 k = 0.0000 0.3269-0.0246 ( 4685 PWs) bands (ev): -12.1804 -12.1802 -11.6557 -11.6552 -11.4613 -11.4609 -10.9288 -10.9286 -10.5106 -10.5101 -10.3631 -10.3624 0.0167 0.0331 0.2898 0.2947 0.3481 0.3589 0.5863 0.5982 0.6211 0.6502 0.8477 0.8584 0.8925 0.9161 1.0576 1.0626 1.1599 1.1856 1.2291 1.2396 1.4774 1.5051 1.5718 1.5845 1.6447 1.6500 1.6955 1.7195 2.0114 2.0271 2.0801 2.0886 2.3581 2.3615 2.4085 2.4219 2.5612 2.5707 2.8422 2.8727 3.2076 3.2224 3.5699 3.5730 3.5984 3.5997 3.8530 3.8696 4.2968 4.3047 4.5729 4.5794 4.6771 4.6939 5.1394 5.1432 5.2723 5.2777 5.3522 5.3580 5.4339 5.4357 5.6653 5.6699 6.2482 6.2486 10.1697 10.1713 10.7975 10.8036 11.1581 11.1615 12.5076 12.5116 13.4147 13.4221 14.2837 14.2915 14.7362 14.7390 15.6699 15.6746 k = 0.0000 0.3302-0.0155 ( 4682 PWs) bands (ev): -12.1780 -12.1778 -11.6668 -11.6663 -11.4534 -11.4531 -10.9296 -10.9294 -10.5065 -10.5060 -10.3652 -10.3645 0.0142 0.0312 0.2967 0.3013 0.3523 0.3636 0.5845 0.5990 0.6186 0.6530 0.8448 0.8512 0.8940 0.9160 1.0506 1.0574 1.1576 1.1841 1.2299 1.2409 1.4766 1.5028 1.5729 1.5865 1.6454 1.6505 1.6966 1.7222 1.9957 2.0102 2.0784 2.0870 2.3508 2.3512 2.4079 2.4199 2.5723 2.5844 2.8509 2.8800 3.2211 3.2356 3.5694 3.5729 3.5993 3.6003 3.8538 3.8696 4.3094 4.3165 4.5685 4.5750 4.6795 4.6974 5.1360 5.1400 5.2600 5.2664 5.3486 5.3533 5.4439 5.4453 5.6542 5.6593 6.2459 6.2463 10.1696 10.1710 10.7822 10.7883 11.1878 11.1906 12.5168 12.5213 13.4023 13.4107 14.2706 14.2794 14.7188 14.7211 15.6849 15.6894 k = 0.0000 0.3335-0.0064 ( 4681 PWs) bands (ev): -12.1757 -12.1754 -11.6773 -11.6769 -11.4459 -11.4456 -10.9307 -10.9304 -10.5022 -10.5016 -10.3675 -10.3668 0.0119 0.0292 0.3040 0.3082 0.3570 0.3684 0.5824 0.5992 0.6161 0.6556 0.8418 0.8437 0.8960 0.9161 1.0437 1.0522 1.1558 1.1826 1.2306 1.2420 1.4765 1.5006 1.5738 1.5882 1.6461 1.6509 1.6980 1.7247 1.9808 1.9929 2.0768 2.0858 2.3408 2.3433 2.4072 2.4181 2.5826 2.5969 2.8583 2.8851 3.2361 3.2499 3.5691 3.5731 3.6002 3.6011 3.8566 3.8711 4.3206 4.3265 4.5640 4.5704 4.6839 4.7024 5.1325 5.1367 5.2456 5.2528 5.3457 5.3491 5.4543 5.4554 5.6431 5.6487 6.2433 6.2437 10.1662 10.1675 10.7685 10.7746 11.2202 11.2226 12.5268 12.5319 13.3883 13.3976 14.2560 14.2657 14.7008 14.7025 15.7013 15.7054 k = 0.0000 0.3367 0.0027 ( 4688 PWs) bands (ev): -12.1734 -12.1731 -11.6872 -11.6867 -11.4388 -11.4386 -10.9319 -10.9317 -10.4975 -10.4969 -10.3700 -10.3693 0.0098 0.0272 0.3117 0.3155 0.3621 0.3734 0.5797 0.5981 0.6139 0.6576 0.8365 0.8384 0.8981 0.9164 1.0371 1.0473 1.1543 1.1813 1.2312 1.2429 1.4772 1.4984 1.5747 1.5896 1.6468 1.6512 1.6997 1.7266 1.9668 1.9756 2.0754 2.0847 2.3304 2.3359 2.4065 2.4164 2.5919 2.6080 2.8640 2.8880 3.2521 3.2652 3.5695 3.5735 3.6013 3.6019 3.8611 3.8739 4.3308 4.3349 4.5595 4.5657 4.6900 4.7086 5.1289 5.1334 5.2291 5.2369 5.3434 5.3456 5.4651 5.4659 5.6324 5.6384 6.2405 6.2410 10.1588 10.1598 10.7575 10.7637 11.2551 11.2570 12.5375 12.5432 13.3727 13.3828 14.2396 14.2501 14.6826 14.6836 15.7189 15.7225 k = 0.0000 0.3400 0.0118 ( 4690 PWs) bands (ev): -12.1714 -12.1711 -11.6962 -11.6958 -11.4321 -11.4319 -10.9334 -10.9331 -10.4926 -10.4920 -10.3727 -10.3720 0.0080 0.0252 0.3195 0.3230 0.3678 0.3787 0.5764 0.5955 0.6124 0.6588 0.8301 0.8349 0.9003 0.9169 1.0311 1.0427 1.1532 1.1801 1.2317 1.2436 1.4782 1.4961 1.5755 1.5907 1.6474 1.6514 1.7017 1.7281 1.9543 1.9586 2.0740 2.0837 2.3201 2.3286 2.4056 2.4147 2.5999 2.6175 2.8678 2.8888 3.2686 3.2812 3.5707 3.5743 3.6024 3.6028 3.8670 3.8777 4.3405 4.3425 4.5550 4.5610 4.6975 4.7157 5.1253 5.1300 5.2108 5.2188 5.3417 5.3428 5.4761 5.4766 5.6223 5.6287 6.2376 6.2381 10.1465 10.1471 10.7500 10.7564 11.2923 11.2939 12.5488 12.5551 13.3557 13.3666 14.2212 14.2323 14.6648 14.6652 15.7374 15.7404 k = 0.5000 0.2551 0.2250 ( 4650 PWs) bands (ev): -11.4680 -11.4680 -11.3283 -11.3282 -11.2120 -11.2119 -10.8397 -10.8397 -10.6354 -10.6354 -10.3040 -10.3039 -0.0997 -0.0924 0.0552 0.0661 0.2615 0.2718 0.4169 0.4276 0.5885 0.5945 0.8444 0.8538 1.0085 1.0426 1.0970 1.1047 1.1962 1.1964 1.2715 1.2729 1.3407 1.3725 1.4597 1.5064 1.6026 1.6073 1.7832 1.7951 1.8780 1.8861 1.9515 1.9746 2.0943 2.1047 2.2674 2.2777 2.4229 2.4313 2.5654 2.5977 2.9180 2.9297 3.2381 3.2447 3.3059 3.3160 3.6290 3.6334 3.8723 3.9108 4.2519 4.2603 4.4272 4.4284 4.4583 4.4856 4.6824 4.6880 4.8211 4.8319 5.2522 5.2547 5.4194 5.4238 5.6821 5.6831 12.0347 12.0367 12.3223 12.3286 12.7151 12.7204 13.0923 13.0937 13.1996 13.2008 14.0116 14.0122 14.5200 14.5208 14.6456 14.6481 k = 0.5000 0.2449 0.2250 ( 4648 PWs) bands (ev): -11.4683 -11.4683 -11.3285 -11.3284 -11.2126 -11.2125 -10.8399 -10.8399 -10.6351 -10.6351 -10.3034 -10.3033 -0.0944 -0.0864 0.0585 0.0700 0.2660 0.2781 0.4231 0.4362 0.5991 0.6045 0.8442 0.8543 1.0065 1.0381 1.0971 1.1087 1.1958 1.1961 1.2678 1.2726 1.3428 1.3785 1.4615 1.5109 1.6032 1.6044 1.7850 1.7940 1.8748 1.8851 1.9506 1.9776 2.0952 2.1047 2.2676 2.2784 2.4132 2.4171 2.5556 2.5865 2.9202 2.9291 3.2237 3.2310 3.2914 3.3054 3.6347 3.6380 3.8594 3.8978 4.2253 4.2367 4.4419 4.4439 4.4751 4.5015 4.6763 4.6828 4.8230 4.8340 5.2421 5.2449 5.4273 5.4316 5.6824 5.6834 12.0121 12.0140 12.2982 12.3048 12.7326 12.7376 13.1466 13.1483 13.2483 13.2491 14.0043 14.0048 14.5050 14.5060 14.6540 14.6566 k = 0.5000 0.2347 0.2250 ( 4646 PWs) bands (ev): -11.4687 -11.4687 -11.3289 -11.3288 -11.2132 -11.2131 -10.8402 -10.8401 -10.6346 -10.6346 -10.3027 -10.3026 -0.0881 -0.0793 0.0624 0.0742 0.2721 0.2856 0.4300 0.4457 0.6106 0.6159 0.8444 0.8552 1.0042 1.0337 1.0973 1.1124 1.1955 1.1958 1.2646 1.2713 1.3461 1.3843 1.4634 1.5158 1.6019 1.6041 1.7865 1.7927 1.8709 1.8840 1.9501 1.9802 2.0959 2.1042 2.2678 2.2790 2.4022 2.4024 2.5458 2.5750 2.9204 2.9263 3.2091 3.2171 3.2762 3.2942 3.6437 3.6460 3.8432 3.8812 4.1952 4.2093 4.4562 4.4589 4.4942 4.5195 4.6702 4.6776 4.8238 4.8350 5.2301 5.2331 5.4355 5.4397 5.6820 5.6829 11.9923 11.9942 12.2769 12.2839 12.7528 12.7575 13.2041 13.2061 13.2974 13.2977 13.9973 13.9976 14.4886 14.4897 14.6627 14.6655 k = 0.5000 0.2245 0.2250 ( 4646 PWs) bands (ev): -11.4692 -11.4692 -11.3294 -11.3293 -11.2137 -11.2137 -10.8404 -10.8404 -10.6341 -10.6341 -10.3019 -10.3018 -0.0807 -0.0712 0.0668 0.0787 0.2796 0.2942 0.4376 0.4561 0.6230 0.6286 0.8450 0.8563 1.0019 1.0296 1.0976 1.1158 1.1953 1.1956 1.2619 1.2693 1.3502 1.3898 1.4654 1.5209 1.5998 1.6052 1.7877 1.7914 1.8664 1.8829 1.9498 1.9824 2.0963 2.1033 2.2679 2.2793 2.3865 2.3905 2.5358 2.5631 2.9187 2.9215 3.1944 3.2027 3.2607 3.2827 3.6557 3.6572 3.8243 3.8614 4.1635 4.1795 4.4698 4.4731 4.5136 4.5379 4.6641 4.6725 4.8237 4.8352 5.2162 5.2195 5.4441 5.4482 5.6808 5.6818 11.9754 11.9774 12.2587 12.2659 12.7753 12.7798 13.2644 13.2668 13.3460 13.3462 13.9908 13.9909 14.4709 14.4719 14.6717 14.6747 k = 0.5000 0.2143 0.2250 ( 4648 PWs) bands (ev): -11.4698 -11.4698 -11.3301 -11.3299 -11.2143 -11.2143 -10.8406 -10.8406 -10.6336 -10.6336 -10.3011 -10.3009 -0.0724 -0.0620 0.0716 0.0835 0.2884 0.3037 0.4459 0.4672 0.6362 0.6425 0.8461 0.8577 0.9997 1.0258 1.0979 1.1189 1.1951 1.1955 1.2596 1.2668 1.3547 1.3948 1.4675 1.5263 1.5982 1.6067 1.7885 1.7900 1.8612 1.8815 1.9496 1.9841 2.0963 2.1018 2.2682 2.2792 2.3702 2.3776 2.5257 2.5510 2.9153 2.9156 3.1795 3.1880 3.2450 3.2710 3.6703 3.6713 3.8031 3.8389 4.1308 4.1483 4.4824 4.4862 4.5322 4.5556 4.6579 4.6674 4.8230 4.8348 5.2008 5.2043 5.4529 5.4570 5.6790 5.6799 11.9617 11.9638 12.2435 12.2510 12.8000 12.8041 13.3270 13.3299 13.3937 13.3944 13.9849 13.9849 14.4517 14.4527 14.6807 14.6839 k = 0.5000 0.2041 0.2250 ( 4650 PWs) bands (ev): -11.4705 -11.4704 -11.3309 -11.3307 -11.2149 -11.2149 -10.8408 -10.8408 -10.6330 -10.6330 -10.3001 -10.2999 -0.0631 -0.0520 0.0769 0.0887 0.2985 0.3140 0.4549 0.4792 0.6501 0.6575 0.8477 0.8593 0.9976 1.0225 1.0982 1.1216 1.1950 1.1954 1.2578 1.2642 1.3595 1.3995 1.4699 1.5320 1.5971 1.6083 1.7886 1.7889 1.8557 1.8799 1.9496 1.9855 2.0959 2.0997 2.2686 2.2783 2.3536 2.3635 2.5156 2.5387 2.9081 2.9114 3.1643 3.1727 3.2294 3.2594 3.6871 3.6877 3.7804 3.8145 4.0975 4.1159 4.4939 4.4982 4.5494 4.5718 4.6518 4.6625 4.8218 4.8340 5.1841 5.1877 5.4621 5.4661 5.6764 5.6774 11.9512 11.9534 12.2314 12.2392 12.8263 12.8301 13.3914 13.3950 13.4400 13.4413 13.9796 13.9799 14.4313 14.4322 14.6897 14.6929 k = 0.5000 0.1939 0.2250 ( 4656 PWs) bands (ev): -11.4712 -11.4712 -11.3318 -11.3316 -11.2155 -11.2154 -10.8410 -10.8410 -10.6324 -10.6324 -10.2990 -10.2989 -0.0531 -0.0412 0.0826 0.0941 0.3095 0.3251 0.4645 0.4919 0.6646 0.6735 0.8497 0.8613 0.9959 1.0197 1.0983 1.1237 1.1949 1.1954 1.2564 1.2616 1.3644 1.4036 1.4724 1.5378 1.5966 1.6101 1.7874 1.7886 1.8500 1.8780 1.9495 1.9866 2.0951 2.0970 2.2693 2.2760 2.3373 2.3482 2.5054 2.5262 2.9003 2.9066 3.1489 3.1569 3.2142 3.2481 3.7058 3.7060 3.7569 3.7892 4.0636 4.0826 4.5039 4.5087 4.5647 4.5862 4.6457 4.6577 4.8205 4.8330 5.1664 5.1701 5.4714 5.4755 5.6733 5.6743 11.9440 11.9462 12.2224 12.2304 12.8538 12.8573 13.4568 13.4613 13.4847 13.4869 13.9756 13.9760 14.4099 14.4106 14.6983 14.7017 k = 0.5000 0.1837 0.2250 ( 4662 PWs) bands (ev): -11.4720 -11.4719 -11.3328 -11.3325 -11.2160 -11.2160 -10.8412 -10.8412 -10.6318 -10.6318 -10.2979 -10.2977 -0.0423 -0.0297 0.0887 0.0998 0.3214 0.3366 0.4747 0.5051 0.6794 0.6904 0.8523 0.8637 0.9945 1.0175 1.0983 1.1253 1.1948 1.1955 1.2555 1.2592 1.3692 1.4073 1.4751 1.5436 1.5968 1.6121 1.7862 1.7874 1.8443 1.8756 1.9494 1.9872 2.0936 2.0938 2.2703 2.2711 2.3225 2.3319 2.4951 2.5136 2.8922 2.9015 3.1329 3.1405 3.1996 3.2372 3.7234 3.7249 3.7358 3.7647 4.0290 4.0483 4.5122 4.5174 4.5777 4.5982 4.6400 4.6532 4.8194 4.8323 5.1480 5.1517 5.4809 5.4849 5.6697 5.6706 11.9400 11.9423 12.2165 12.2245 12.8821 12.8853 13.5178 13.5214 13.5340 13.5350 13.9731 13.9738 14.3878 14.3882 14.7064 14.7099 k = 0.5000 0.1735 0.2250 ( 4674 PWs) bands (ev): -11.4728 -11.4727 -11.3338 -11.3336 -11.2165 -11.2165 -10.8414 -10.8414 -10.6311 -10.6311 -10.2968 -10.2966 -0.0309 -0.0176 0.0951 0.1057 0.3339 0.3484 0.4853 0.5190 0.6944 0.7080 0.8553 0.8664 0.9936 1.0161 1.0980 1.1261 1.1947 1.1958 1.2550 1.2570 1.3738 1.4106 1.4780 1.5492 1.5976 1.6143 1.7851 1.7851 1.8390 1.8728 1.9492 1.9876 2.0894 2.0919 2.2618 2.2714 2.3110 2.3145 2.4848 2.5011 2.8844 2.8964 3.1165 3.1235 3.1861 3.2269 3.7081 3.7306 3.7494 3.7551 3.9937 4.0131 4.5186 4.5241 4.5882 4.6075 4.6347 4.6492 4.8189 4.8319 5.1291 5.1328 5.4905 5.4945 5.6656 5.6664 11.9391 11.9415 12.2134 12.2215 12.9109 12.9136 13.5612 13.5615 13.5974 13.6006 13.9727 13.9737 14.3653 14.3655 14.7138 14.7173 k = 0.5000 0.1633 0.2250 ( 4674 PWs) bands (ev): -11.4736 -11.4736 -11.3350 -11.3347 -11.2170 -11.2170 -10.8416 -10.8416 -10.6305 -10.6304 -10.2956 -10.2954 -0.0189 -0.0051 0.1017 0.1119 0.3469 0.3604 0.4965 0.5334 0.7094 0.7260 0.8589 0.8696 0.9934 1.0156 1.0975 1.1262 1.1946 1.1963 1.2549 1.2553 1.3781 1.4134 1.4811 1.5546 1.5994 1.6165 1.7815 1.7842 1.8343 1.8694 1.9487 1.9877 2.0847 2.0894 2.2476 2.2721 2.2970 2.3035 2.4745 2.4888 2.8769 2.8915 3.0994 3.1058 3.1737 3.2173 3.6860 3.7099 3.7717 3.7740 3.9577 3.9772 4.5228 4.5282 4.5961 4.6138 4.6302 4.6460 4.8193 4.8322 5.1100 5.1137 5.5001 5.5040 5.6611 5.6620 11.9412 11.9436 12.2130 12.2212 12.9395 12.9419 13.5945 13.5959 13.6643 13.6691 13.9750 13.9762 14.3429 14.3432 14.7203 14.7238 k = 0.5000 0.1531 0.2250 ( 4678 PWs) bands (ev): -11.4745 -11.4744 -11.3361 -11.3359 -11.2175 -11.2175 -10.8417 -10.8417 -10.6298 -10.6298 -10.2944 -10.2942 -0.0066 0.0078 0.1087 0.1182 0.3600 0.3724 0.5080 0.5482 0.7241 0.7442 0.8630 0.8732 0.9940 1.0160 1.0967 1.1253 1.1945 1.1971 1.2541 1.2553 1.3823 1.4159 1.4845 1.5595 1.6023 1.6189 1.7765 1.7836 1.8303 1.8653 1.9480 1.9876 2.0794 2.0861 2.2297 2.2675 2.2842 2.2988 2.4641 2.4769 2.8702 2.8870 3.0819 3.0876 3.1627 3.2086 3.6650 3.6877 3.7949 3.7967 3.9212 3.9406 4.5246 4.5297 4.6011 4.6168 4.6268 4.6435 4.8207 4.8333 5.0911 5.0946 5.5097 5.5135 5.6564 5.6572 11.9461 11.9486 12.2153 12.2234 12.9678 12.9698 13.6223 13.6242 13.7305 13.7366 13.9804 13.9818 14.3216 14.3225 14.7257 14.7293 k = 0.5000 0.1429 0.2250 ( 4674 PWs) bands (ev): -11.4753 -11.4753 -11.3373 -11.3371 -11.2180 -11.2179 -10.8419 -10.8419 -10.6291 -10.6291 -10.2932 -10.2930 0.0060 0.0208 0.1158 0.1247 0.3731 0.3842 0.5200 0.5632 0.7383 0.7622 0.8677 0.8772 0.9954 1.0176 1.0956 1.1235 1.1945 1.1982 1.2536 1.2561 1.3863 1.4182 1.4882 1.5636 1.6062 1.6212 1.7702 1.7833 1.8269 1.8605 1.9469 1.9872 2.0736 2.0817 2.2102 2.2510 2.2830 2.2952 2.4538 2.4655 2.8642 2.8830 3.0640 3.0690 3.1531 3.2006 3.6458 3.6673 3.8186 3.8196 3.8848 3.9037 4.5240 4.5283 4.6032 4.6169 4.6245 4.6417 4.8232 4.8353 5.0726 5.0759 5.5190 5.5227 5.6516 5.6523 11.9536 11.9561 12.2199 12.2280 12.9953 12.9969 13.6443 13.6464 13.7940 13.8014 13.9894 13.9908 14.3031 14.3048 14.7301 14.7335 k = 0.5000 0.1327 0.2250 ( 4670 PWs) bands (ev): -11.4762 -11.4762 -11.3385 -11.3383 -11.2184 -11.2184 -10.8421 -10.8421 -10.6284 -10.6284 -10.2920 -10.2918 0.0188 0.0339 0.1229 0.1312 0.3860 0.3957 0.5322 0.5785 0.7517 0.7796 0.8729 0.8815 0.9977 1.0203 1.0941 1.1206 1.1947 1.1996 1.2538 1.2574 1.3902 1.4204 1.4921 1.5669 1.6113 1.6236 1.7629 1.7832 1.8239 1.8550 1.9453 1.9864 2.0674 2.0759 2.1906 2.2306 2.2853 2.2917 2.4435 2.4548 2.8592 2.8795 3.0461 3.0503 3.1449 3.1935 3.6286 3.6491 3.8348 3.8422 3.8562 3.8670 4.5210 4.5242 4.6029 4.6147 4.6231 4.6399 4.8268 4.8381 5.0547 5.0579 5.5281 5.5317 5.6467 5.6473 11.9634 11.9659 12.2266 12.2346 13.0216 13.0229 13.6604 13.6626 13.8519 13.8609 14.0018 14.0029 14.2898 14.2924 14.7332 14.7365 k = 0.5000 0.1225 0.2250 ( 4674 PWs) bands (ev): -11.4770 -11.4770 -11.3397 -11.3395 -11.2188 -11.2188 -10.8422 -10.8422 -10.6278 -10.6278 -10.2908 -10.2906 0.0316 0.0469 0.1301 0.1377 0.3984 0.4067 0.5447 0.5938 0.7642 0.7960 0.8786 0.8860 1.0008 1.0240 1.0923 1.1166 1.1952 1.2014 1.2546 1.2592 1.3940 1.4226 1.4964 1.5695 1.6174 1.6258 1.7548 1.7835 1.8211 1.8486 1.9430 1.9851 2.0611 2.0682 2.1722 2.2092 2.2877 2.2884 2.4333 2.4450 2.8551 2.8764 3.0284 3.0317 3.1382 3.1871 3.6133 3.6335 3.8059 3.8289 3.8675 3.8718 4.5160 4.5177 4.6005 4.6107 4.6218 4.6376 4.8312 4.8417 5.0377 5.0407 5.5369 5.5403 5.6418 5.6424 11.9751 11.9777 12.2352 12.2429 13.0466 13.0476 13.6710 13.6732 13.9007 13.9112 14.0170 14.0178 14.2853 14.2888 14.7351 14.7382 k = 0.5000 0.1123 0.2250 ( 4684 PWs) bands (ev): -11.4779 -11.4778 -11.3409 -11.3407 -11.2192 -11.2192 -10.8424 -10.8423 -10.6271 -10.6271 -10.2896 -10.2895 0.0442 0.0595 0.1372 0.1441 0.4102 0.4170 0.5575 0.6089 0.7756 0.8110 0.8847 0.8905 1.0046 1.0288 1.0904 1.1118 1.1961 1.2035 1.2560 1.2615 1.3978 1.4248 1.5009 1.5714 1.6242 1.6279 1.7461 1.7841 1.8181 1.8413 1.9401 1.9830 2.0549 2.0581 2.1561 2.1877 2.2831 2.2918 2.4232 2.4362 2.8519 2.8737 3.0115 3.0138 3.1330 3.1814 3.6000 3.6203 3.7694 3.7929 3.8912 3.8950 4.5091 4.5095 4.5966 4.6053 4.6203 4.6348 4.8364 4.8458 5.0218 5.0245 5.5453 5.5485 5.6371 5.6376 11.9885 11.9910 12.2452 12.2527 13.0700 13.0707 13.6769 13.6790 13.9362 13.9479 14.0341 14.0345 14.2940 14.2981 14.7358 14.7387 k = 0.5000 0.1021 0.2250 ( 4684 PWs) bands (ev): -11.4786 -11.4786 -11.3420 -11.3418 -11.2196 -11.2195 -10.8425 -10.8425 -10.6265 -10.6265 -10.2885 -10.2884 0.0566 0.0717 0.1441 0.1503 0.4213 0.4266 0.5705 0.6238 0.7859 0.8243 0.8912 0.8949 1.0089 1.0342 1.0887 1.1064 1.1976 1.2060 1.2581 1.2643 1.4018 1.4275 1.5059 1.5728 1.6299 1.6316 1.7372 1.7852 1.8147 1.8333 1.9363 1.9793 2.0460 2.0488 2.1431 2.1666 2.2778 2.2949 2.4135 2.4285 2.8495 2.8714 2.9956 2.9969 3.1290 3.1764 3.5884 3.6096 3.7331 3.7579 3.9147 3.9185 4.4999 4.5009 4.5914 4.5988 4.6184 4.6315 4.8418 4.8502 5.0073 5.0097 5.5531 5.5562 5.6327 5.6331 12.0031 12.0055 12.2564 12.2636 13.0917 13.0920 13.6791 13.6810 13.9562 13.9679 14.0517 14.0521 14.3186 14.3228 14.7355 14.7382 k = 0.5000 0.0919 0.2250 ( 4690 PWs) bands (ev): -11.4794 -11.4794 -11.3430 -11.3429 -11.2199 -11.2199 -10.8426 -10.8426 -10.6260 -10.6259 -10.2875 -10.2873 0.0686 0.0832 0.1508 0.1563 0.4313 0.4353 0.5836 0.6382 0.7952 0.8358 0.8976 0.8989 1.0131 1.0394 1.0874 1.1011 1.1997 1.2086 1.2606 1.2675 1.4061 1.4306 1.5112 1.5738 1.6315 1.6394 1.7283 1.7867 1.8108 1.8244 1.9316 1.9728 2.0332 2.0431 2.1332 2.1465 2.2719 2.2975 2.4043 2.4219 2.8479 2.8693 2.9811 2.9814 3.1264 3.1720 3.5781 3.6013 3.6977 3.7246 3.9376 3.9414 4.4895 4.4916 4.5853 4.5915 4.6159 4.6275 4.8474 4.8548 4.9941 4.9963 5.5604 5.5633 5.6286 5.6289 12.0185 12.0208 12.2684 12.2751 13.1113 13.1115 13.6784 13.6801 13.9619 13.9726 14.0691 14.0697 14.3576 14.3612 14.7343 14.7367 k = 0.5000 0.0816 0.2250 ( 4686 PWs) bands (ev): -11.4801 -11.4801 -11.3440 -11.3439 -11.2202 -11.2202 -10.8427 -10.8427 -10.6254 -10.6254 -10.2865 -10.2864 0.0799 0.0938 0.1571 0.1620 0.4404 0.4432 0.5968 0.6518 0.8035 0.8453 0.9025 0.9039 1.0169 1.0433 1.0871 1.0969 1.2025 1.2115 1.2635 1.2711 1.4108 1.4343 1.5170 1.5746 1.6329 1.6470 1.7198 1.7887 1.8064 1.8151 1.9259 1.9622 2.0222 2.0379 2.1258 2.1280 2.2658 2.2991 2.3961 2.4162 2.8470 2.8674 2.9676 2.9683 3.1250 3.1680 3.5687 3.5949 3.6638 3.6939 3.9597 3.9635 4.4787 4.4817 4.5787 4.5837 4.6128 4.6230 4.8529 4.8593 4.9825 4.9844 5.5671 5.5697 5.6248 5.6251 12.0342 12.0364 12.2807 12.2869 13.1289 13.1290 13.6758 13.6772 13.9573 13.9667 14.0856 14.0865 14.4059 14.4086 14.7325 14.7346 k = 0.5000 0.0714 0.2250 ( 4682 PWs) bands (ev): -11.4807 -11.4807 -11.3449 -11.3448 -11.2205 -11.2204 -10.8428 -10.8428 -10.6249 -10.6249 -10.2857 -10.2855 0.0906 0.1035 0.1630 0.1673 0.4483 0.4501 0.6100 0.6643 0.8111 0.8531 0.9056 0.9095 1.0197 1.0447 1.0878 1.0949 1.2060 1.2144 1.2669 1.2750 1.4160 1.4387 1.5230 1.5750 1.6340 1.6539 1.7125 1.7910 1.8014 1.8053 1.9192 1.9468 2.0145 2.0329 2.1119 2.1201 2.2598 2.2992 2.3893 2.4113 2.8467 2.8656 2.9558 2.9574 3.1247 3.1643 3.5595 3.5904 3.6319 3.6666 3.9806 3.9844 4.4679 4.4714 4.5718 4.5759 4.6092 4.6181 4.8581 4.8636 4.9725 4.9741 5.5731 5.5754 5.6215 5.6218 12.0497 12.0517 12.2930 12.2986 13.1443 13.1446 13.6719 13.6730 13.9468 13.9548 14.1009 14.1019 14.4583 14.4603 14.7302 14.7320 k = 0.5000 0.0612 0.2250 ( 4686 PWs) bands (ev): -11.4813 -11.4813 -11.3457 -11.3456 -11.2207 -11.2207 -10.8429 -10.8429 -10.6245 -10.6245 -10.2849 -10.2848 0.1003 0.1121 0.1684 0.1720 0.4551 0.4561 0.6232 0.6753 0.8180 0.8590 0.9083 0.9142 1.0212 1.0429 1.0896 1.0954 1.2100 1.2173 1.2705 1.2787 1.4218 1.4435 1.5294 1.5752 1.6347 1.6584 1.7081 1.7924 1.7960 1.7968 1.9114 1.9280 2.0097 2.0280 2.0989 2.1151 2.2547 2.2974 2.3842 2.4071 2.8469 2.8639 2.9461 2.9483 3.1253 3.1609 3.5499 3.5873 3.6026 3.6436 4.0001 4.0037 4.4574 4.4613 4.5651 4.5683 4.6053 4.6129 4.8629 4.8675 4.9640 4.9654 5.5782 5.5802 5.6187 5.6190 12.0646 12.0664 12.3048 12.3098 13.1576 13.1580 13.6673 13.6682 13.9335 13.9402 14.1145 14.1156 14.5108 14.5122 14.7276 14.7293 k = 0.5000 0.0510 0.2250 ( 4676 PWs) bands (ev): -11.4818 -11.4817 -11.3464 -11.3463 -11.2209 -11.2209 -10.8430 -10.8430 -10.6241 -10.6241 -10.2842 -10.2841 0.1090 0.1193 0.1732 0.1762 0.4607 0.4611 0.6360 0.6843 0.8247 0.8634 0.9107 0.9177 1.0217 1.0389 1.0924 1.0976 1.2142 1.2200 1.2744 1.2823 1.4284 1.4488 1.5360 1.5751 1.6349 1.6587 1.7084 1.7846 1.7905 1.7980 1.9027 1.9079 2.0068 2.0232 2.0894 2.1105 2.2509 2.2936 2.3812 2.4032 2.8475 2.8622 2.9385 2.9410 3.1268 3.1577 3.5395 3.5761 3.5858 3.6256 4.0178 4.0211 4.4477 4.4515 4.5588 4.5613 4.6014 4.6077 4.8672 4.8710 4.9570 4.9582 5.5826 5.5842 5.6165 5.6167 12.0782 12.0798 12.3157 12.3200 13.1688 13.1692 13.6626 13.6634 13.9198 13.9253 14.1263 14.1273 14.5605 14.5615 14.7251 14.7266 k = 0.5000 0.0408 0.2250 ( 4678 PWs) bands (ev): -11.4822 -11.4822 -11.3470 -11.3469 -11.2211 -11.2211 -10.8430 -10.8430 -10.6238 -10.6238 -10.2836 -10.2836 0.1166 0.1252 0.1772 0.1796 0.4652 0.4652 0.6485 0.6908 0.8313 0.8659 0.9127 0.9198 1.0215 1.0340 1.0956 1.1002 1.2183 1.2225 1.2782 1.2853 1.4354 1.4539 1.5427 1.5748 1.6346 1.6546 1.7139 1.7755 1.7855 1.8009 1.8882 1.8932 2.0050 2.0184 2.0834 2.1058 2.2488 2.2880 2.3801 2.3996 2.8484 2.8606 2.9329 2.9353 3.1290 3.1546 3.5288 3.5535 3.5850 3.6124 4.0333 4.0362 4.4391 4.4426 4.5533 4.5551 4.5978 4.6028 4.8708 4.8738 4.9514 4.9524 5.5860 5.5873 5.6148 5.6150 12.0902 12.0915 12.3253 12.3289 13.1780 13.1783 13.6582 13.6588 13.9071 13.9115 14.1360 14.1369 14.6049 14.6057 14.7228 14.7241 k = 0.5000 0.0306 0.2250 ( 4678 PWs) bands (ev): -11.4825 -11.4825 -11.3475 -11.3474 -11.2212 -11.2212 -10.8431 -10.8431 -10.6236 -10.6236 -10.2832 -10.2831 0.1229 0.1295 0.1805 0.1823 0.4684 0.4686 0.6602 0.6945 0.8380 0.8667 0.9144 0.9207 1.0209 1.0294 1.0986 1.1025 1.2217 1.2245 1.2819 1.2876 1.4428 1.4583 1.5494 1.5740 1.6340 1.6483 1.7226 1.7673 1.7818 1.8028 1.8712 1.8834 2.0041 2.0140 2.0808 2.1009 2.2487 2.2812 2.3805 2.3962 2.8496 2.8590 2.9290 2.9311 3.1317 3.1514 3.5188 3.5348 3.5851 3.6032 4.0461 4.0485 4.4320 4.4350 4.5487 4.5500 4.5947 4.5985 4.8738 4.8760 4.9473 4.9480 5.5886 5.5896 5.6137 5.6138 12.1001 12.1011 12.3334 12.3361 13.1850 13.1853 13.6544 13.6548 13.8964 13.8997 14.1436 14.1443 14.6419 14.6426 14.7208 14.7220 k = 0.5000 0.0204 0.2250 ( 4680 PWs) bands (ev): -11.4827 -11.4827 -11.3478 -11.3477 -11.2213 -11.2213 -10.8431 -10.8431 -10.6234 -10.6234 -10.2829 -10.2828 0.1278 0.1323 0.1830 0.1842 0.4707 0.4709 0.6709 0.6951 0.8449 0.8655 0.9159 0.9205 1.0205 1.0256 1.1013 1.1040 1.2244 1.2260 1.2851 1.2891 1.4498 1.4612 1.5558 1.5726 1.6332 1.6418 1.7324 1.7602 1.7802 1.8018 1.8595 1.8738 2.0038 2.0102 2.0808 2.0958 2.2507 2.2738 2.3820 2.3930 2.8510 2.8574 2.9266 2.9282 3.1347 3.1481 3.5111 3.5207 3.5859 3.5969 4.0558 4.0575 4.4268 4.4289 4.5454 4.5462 4.5924 4.5950 4.8760 4.8775 4.9444 4.9449 5.5904 5.5910 5.6130 5.6132 12.1075 12.1082 12.3394 12.3413 13.1900 13.1903 13.6515 13.6518 13.8884 13.8906 14.1490 14.1496 14.6698 14.6705 14.7194 14.7205 k = 0.5000 0.0102 0.2250 ( 4684 PWs) bands (ev): -11.4829 -11.4829 -11.3480 -11.3479 -11.2214 -11.2214 -10.8431 -10.8431 -10.6233 -10.6233 -10.2827 -10.2826 0.1313 0.1336 0.1847 0.1852 0.4721 0.4722 0.6801 0.6926 0.8516 0.8624 0.9172 0.9196 1.0206 1.0229 1.1033 1.1047 1.2261 1.2268 1.2875 1.2896 1.4559 1.4619 1.5617 1.5702 1.6328 1.6368 1.7414 1.7543 1.7823 1.7962 1.8555 1.8650 2.0041 2.0073 2.0829 2.0908 2.2545 2.2665 2.3842 2.3898 2.8525 2.8557 2.9255 2.9263 3.1380 3.1448 3.5067 3.5112 3.5874 3.5926 4.0620 4.0629 4.4238 4.4249 4.5434 4.5437 4.5912 4.5925 4.8775 4.8783 4.9427 4.9430 5.5914 5.5917 5.6127 5.6128 12.1121 12.1125 12.3434 12.3443 13.1931 13.1932 13.6497 13.6498 13.8837 13.8848 14.1524 14.1526 14.6872 14.6877 14.7187 14.7195 k = 0.5000-0.0000 0.2250 ( 4692 PWs) bands (ev): -11.4829 -11.4829 -11.3480 -11.3480 -11.2214 -11.2214 -10.8431 -10.8431 -10.6233 -10.6233 -10.2826 -10.2826 0.1332 0.1332 0.1854 0.1854 0.4726 0.4726 0.6875 0.6875 0.8576 0.8576 0.9185 0.9185 1.0213 1.0213 1.1044 1.1044 1.2268 1.2268 1.2891 1.2891 1.4601 1.4601 1.5666 1.5666 1.6338 1.6338 1.7485 1.7485 1.7883 1.7883 1.8583 1.8583 2.0052 2.0052 2.0864 2.0864 2.2599 2.2599 2.3868 2.3868 2.8541 2.8541 2.9254 2.9254 3.1414 3.1414 3.5066 3.5066 3.5895 3.5895 4.0644 4.0644 4.4231 4.4231 4.5428 4.5428 4.5912 4.5912 4.8783 4.8783 4.9423 4.9423 5.5918 5.5918 5.6127 5.6127 12.1138 12.1138 12.3450 12.3450 13.1941 13.1941 13.6491 13.6491 13.8825 13.8825 14.1536 14.1536 14.6933 14.6933 14.7188 14.7188 k = 0.5000-0.0000 0.2250 ( 4692 PWs) bands (ev): -11.4829 -11.4829 -11.3480 -11.3480 -11.2214 -11.2214 -10.8431 -10.8431 -10.6233 -10.6233 -10.2826 -10.2826 0.1332 0.1332 0.1854 0.1854 0.4726 0.4726 0.6875 0.6875 0.8576 0.8576 0.9185 0.9185 1.0213 1.0213 1.1044 1.1044 1.2268 1.2268 1.2891 1.2891 1.4601 1.4601 1.5666 1.5666 1.6338 1.6338 1.7485 1.7485 1.7883 1.7883 1.8583 1.8583 2.0052 2.0052 2.0864 2.0864 2.2599 2.2599 2.3868 2.3868 2.8541 2.8541 2.9254 2.9254 3.1414 3.1414 3.5066 3.5066 3.5895 3.5895 4.0644 4.0644 4.4231 4.4231 4.5428 4.5428 4.5912 4.5912 4.8783 4.8783 4.9423 4.9423 5.5918 5.5918 5.6127 5.6127 12.1138 12.1138 12.3450 12.3450 13.1941 13.1941 13.6491 13.6491 13.8825 13.8825 14.1536 14.1536 14.6933 14.6933 14.7188 14.7188 k = 0.5000-0.0000 0.2148 ( 4684 PWs) bands (ev): -11.4829 -11.4829 -11.3481 -11.3481 -11.2213 -11.2213 -10.8431 -10.8431 -10.6233 -10.6233 -10.2826 -10.2826 0.1333 0.1337 0.1853 0.1854 0.4717 0.4734 0.6824 0.6911 0.8500 0.8628 0.9123 0.9222 1.0214 1.0223 1.1021 1.1067 1.2247 1.2284 1.2879 1.2911 1.4584 1.4610 1.5600 1.5729 1.6265 1.6411 1.7462 1.7523 1.7888 1.7889 1.8519 1.8677 2.0025 2.0089 2.0855 2.0878 2.2580 2.2629 2.3860 2.3875 2.8532 2.8549 2.9256 2.9265 3.1396 3.1432 3.5032 3.5074 3.5883 3.5930 4.0648 4.0655 4.4227 4.4235 4.5427 4.5441 4.5897 4.5910 4.8775 4.8781 4.9422 4.9423 5.5902 5.5910 5.6119 5.6120 12.1146 12.1149 12.3457 12.3457 13.1940 13.1941 13.6485 13.6486 13.8826 13.8829 14.1538 14.1539 14.6939 14.6944 14.7187 14.7191 k = 0.5000-0.0000 0.2046 ( 4692 PWs) bands (ev): -11.4830 -11.4830 -11.3485 -11.3485 -11.2210 -11.2209 -10.8429 -10.8429 -10.6233 -10.6233 -10.2826 -10.2826 0.1342 0.1349 0.1851 0.1852 0.4706 0.4740 0.6758 0.6928 0.8401 0.8655 0.9043 0.9230 1.0230 1.0241 1.1000 1.1089 1.2220 1.2292 1.2876 1.2938 1.4558 1.4613 1.5537 1.5782 1.6196 1.6480 1.7456 1.7567 1.7902 1.7914 1.8485 1.8796 2.0006 2.0133 2.0852 2.0898 2.2572 2.2668 2.3848 2.3878 2.8523 2.8556 2.9270 2.9288 3.1380 3.1450 3.4976 3.5049 3.5897 3.5981 4.0665 4.0679 4.4221 4.4237 4.5437 4.5466 4.5865 4.5890 4.8759 4.8771 4.9420 4.9423 5.5861 5.5878 5.6096 5.6099 12.1173 12.1178 12.3476 12.3476 13.1937 13.1940 13.6465 13.6467 13.8832 13.8837 14.1547 14.1549 14.6963 14.6972 14.7188 14.7196 k = 0.5000-0.0000 0.1943 ( 4698 PWs) bands (ev): -11.4832 -11.4832 -11.3490 -11.3490 -11.2204 -11.2204 -10.8426 -10.8426 -10.6235 -10.6234 -10.2825 -10.2825 0.1357 0.1369 0.1847 0.1849 0.4692 0.4743 0.6677 0.6926 0.8286 0.8659 0.8951 0.9208 1.0257 1.0261 1.0981 1.1107 1.2192 1.2295 1.2881 1.2971 1.4520 1.4612 1.5486 1.5823 1.6135 1.6544 1.7462 1.7601 1.7926 1.7977 1.8481 1.8935 1.9999 2.0183 2.0855 2.0923 2.2576 2.2716 2.3833 2.3879 2.8512 2.8561 2.9297 2.9324 3.1367 3.1470 3.4900 3.4991 3.5941 3.6046 4.0694 4.0715 4.4214 4.4238 4.5455 4.5500 4.5815 4.5855 4.8735 4.8754 4.9421 4.9425 5.5794 5.5820 5.6061 5.6066 12.1217 12.1225 12.3507 12.3507 13.1934 13.1938 13.6433 13.6436 13.8842 13.8850 14.1562 14.1565 14.7003 14.7016 14.7191 14.7203 k = 0.5000-0.0000 0.1841 ( 4698 PWs) bands (ev): -11.4834 -11.4834 -11.3497 -11.3497 -11.2197 -11.2197 -10.8422 -10.8422 -10.6236 -10.6236 -10.2825 -10.2825 0.1379 0.1394 0.1843 0.1846 0.4678 0.4745 0.6582 0.6901 0.8162 0.8642 0.8850 0.9162 1.0281 1.0292 1.0964 1.1118 1.2168 1.2295 1.2893 1.3008 1.4470 1.4606 1.5450 1.5852 1.6084 1.6599 1.7473 1.7623 1.7963 1.8080 1.8498 1.9089 2.0006 2.0241 2.0864 2.0953 2.2592 2.2772 2.3816 2.3878 2.8501 2.8563 2.9336 2.9373 3.1361 3.1494 3.4808 3.4902 3.6012 3.6125 4.0732 4.0759 4.4207 4.4239 4.5478 4.5537 4.5753 4.5806 4.8706 4.8733 4.9425 4.9430 5.5701 5.5736 5.6014 5.6022 12.1279 12.1290 12.3550 12.3550 13.1929 13.1934 13.6390 13.6393 13.8858 13.8868 14.1582 14.1586 14.7060 14.7072 14.7195 14.7217 k = 0.5000-0.0000 0.1739 ( 4690 PWs) bands (ev): -11.4836 -11.4836 -11.3506 -11.3505 -11.2188 -11.2188 -10.8417 -10.8417 -10.6238 -10.6238 -10.2824 -10.2824 0.1407 0.1427 0.1839 0.1841 0.4661 0.4743 0.6473 0.6848 0.8040 0.8608 0.8743 0.9095 1.0300 1.0330 1.0950 1.1122 1.2150 1.2294 1.2910 1.3047 1.4408 1.4595 1.5432 1.5870 1.6046 1.6641 1.7484 1.7646 1.8014 1.8209 1.8531 1.9252 2.0029 2.0304 2.0879 2.0988 2.2621 2.2834 2.3796 2.3874 2.8489 2.8561 2.9388 2.9436 3.1365 3.1525 3.4700 3.4786 3.6105 3.6215 4.0774 4.0805 4.4196 4.4236 4.5494 4.5557 4.5698 4.5754 4.8675 4.8711 4.9435 4.9442 5.5580 5.5625 5.5956 5.5966 12.1358 12.1370 12.3604 12.3605 13.1923 13.1930 13.6335 13.6340 13.8877 13.8890 14.1608 14.1612 14.7130 14.7132 14.7203 14.7243 k = 0.5000-0.0000 0.1636 ( 4684 PWs) bands (ev): -11.4839 -11.4839 -11.3516 -11.3516 -11.2178 -11.2178 -10.8411 -10.8411 -10.6240 -10.6240 -10.2824 -10.2824 0.1442 0.1466 0.1836 0.1837 0.4642 0.4739 0.6350 0.6762 0.7928 0.8558 0.8632 0.9013 1.0315 1.0365 1.0938 1.1116 1.2143 1.2293 1.2932 1.3086 1.4338 1.4580 1.5431 1.5880 1.6021 1.6667 1.7494 1.7682 1.8076 1.8347 1.8572 1.9418 2.0071 2.0373 2.0901 2.1026 2.2662 2.2900 2.3775 2.3869 2.8474 2.8555 2.9453 2.9512 3.1383 3.1567 3.4578 3.4651 3.6217 3.6316 4.0816 4.0850 4.4177 4.4225 4.5491 4.5519 4.5694 4.5715 4.8645 4.8692 4.9454 4.9461 5.5435 5.5488 5.5887 5.5899 12.1452 12.1466 12.3669 12.3670 13.1915 13.1923 13.6270 13.6275 13.8902 13.8916 14.1637 14.1642 14.7177 14.7197 14.7232 14.7300 k = 0.5000-0.0000 0.1534 ( 4686 PWs) bands (ev): -11.4842 -11.4842 -11.3527 -11.3527 -11.2167 -11.2166 -10.8405 -10.8404 -10.6243 -10.6242 -10.2823 -10.2823 0.1483 0.1512 0.1832 0.1833 0.4620 0.4730 0.6214 0.6642 0.7834 0.8497 0.8518 0.8920 1.0327 1.0396 1.0926 1.1102 1.2144 1.2294 1.2957 1.3125 1.4263 1.4560 1.5446 1.5884 1.6007 1.6675 1.7501 1.7735 1.8148 1.8483 1.8616 1.9583 2.0133 2.0446 2.0929 2.1068 2.2713 2.2969 2.3752 2.3862 2.8458 2.8544 2.9531 2.9601 3.1421 3.1622 3.4446 3.4501 3.6341 3.6426 4.0853 4.0889 4.4138 4.4193 4.5452 4.5465 4.5701 4.5723 4.8622 4.8680 4.9482 4.9490 5.5265 5.5326 5.5807 5.5820 12.1559 12.1575 12.3743 12.3744 13.1907 13.1916 13.6196 13.6202 13.8929 13.8945 14.1670 14.1676 14.7203 14.7215 14.7323 14.7390 k = 0.5000-0.0000 0.1432 ( 4678 PWs) bands (ev): -11.4846 -11.4846 -11.3539 -11.3539 -11.2154 -11.2154 -10.8397 -10.8397 -10.6246 -10.6245 -10.2822 -10.2822 0.1530 0.1564 0.1828 0.1832 0.4596 0.4717 0.6067 0.6492 0.7758 0.8405 0.8427 0.8820 1.0337 1.0421 1.0916 1.1081 1.2156 1.2298 1.2984 1.3163 1.4185 1.4534 1.5472 1.5886 1.6005 1.6669 1.7509 1.7803 1.8224 1.8606 1.8665 1.9742 2.0216 2.0524 2.0965 2.1115 2.2773 2.3040 2.3728 2.3853 2.8438 2.8527 2.9623 2.9702 3.1481 3.1694 3.4306 3.4342 3.6474 3.6542 4.0880 4.0917 4.4063 4.4121 4.5405 4.5444 4.5704 4.5754 4.8609 4.8680 4.9521 4.9528 5.5074 5.5143 5.5715 5.5728 12.1678 12.1695 12.3825 12.3826 13.1897 13.1907 13.6115 13.6121 13.8961 13.8977 14.1705 14.1711 14.7222 14.7228 14.7431 14.7499 k = 0.5000-0.0000 0.1330 ( 4674 PWs) bands (ev): -11.4850 -11.4850 -11.3552 -11.3552 -11.2141 -11.2141 -10.8390 -10.8389 -10.6249 -10.6248 -10.2822 -10.2821 0.1581 0.1622 0.1824 0.1833 0.4569 0.4699 0.5911 0.6317 0.7697 0.8294 0.8350 0.8716 1.0343 1.0439 1.0908 1.1055 1.2175 1.2305 1.3013 1.3200 1.4108 1.4503 1.5507 1.5887 1.6013 1.6654 1.7516 1.7880 1.8304 1.8682 1.8747 1.9888 2.0315 2.0603 2.1011 2.1165 2.2840 2.3110 2.3703 2.3844 2.8415 2.8503 2.9727 2.9812 3.1568 3.1787 3.4162 3.4179 3.6610 3.6660 4.0893 4.0931 4.3937 4.3993 4.5407 4.5457 4.5707 4.5776 4.8611 4.8695 4.9570 4.9576 5.4863 5.4940 5.5610 5.5625 12.1806 12.1825 12.3913 12.3914 13.1886 13.1897 13.6027 13.6033 13.8995 13.9012 14.1742 14.1748 14.7240 14.7243 14.7550 14.7619 k = 0.5000-0.0000 0.1227 ( 4674 PWs) bands (ev): -11.4854 -11.4854 -11.3565 -11.3565 -11.2128 -11.2128 -10.8381 -10.8381 -10.6252 -10.6251 -10.2821 -10.2820 0.1636 0.1685 0.1823 0.1839 0.4539 0.4675 0.5748 0.6127 0.7645 0.8191 0.8267 0.8612 1.0347 1.0450 1.0901 1.1027 1.2200 1.2316 1.3044 1.3236 1.4033 1.4467 1.5547 1.5885 1.6030 1.6634 1.7525 1.7960 1.8383 1.8723 1.8850 2.0017 2.0425 2.0682 2.1067 2.1219 2.2912 2.3178 2.3680 2.3834 2.8389 2.8474 2.9841 2.9931 3.1683 3.1903 3.4016 3.4020 3.6745 3.6778 4.0892 4.0929 4.3755 4.3805 4.5464 4.5518 4.5704 4.5786 4.8630 4.8728 4.9627 4.9632 5.4635 5.4720 5.5494 5.5509 12.1941 12.1961 12.4007 12.4008 13.1874 13.1885 13.5934 13.5941 13.9032 13.9048 14.1780 14.1786 14.7259 14.7259 14.7675 14.7747 k = 0.5000-0.0000 0.1125 ( 4666 PWs) bands (ev): -11.4858 -11.4858 -11.3578 -11.3578 -11.2115 -11.2114 -10.8373 -10.8373 -10.6255 -10.6255 -10.2820 -10.2820 0.1691 0.1753 0.1824 0.1853 0.4507 0.4644 0.5579 0.5927 0.7598 0.8100 0.8179 0.8513 1.0348 1.0454 1.0897 1.0999 1.2229 1.2330 1.3076 1.3271 1.3963 1.4426 1.5589 1.5883 1.6055 1.6612 1.7536 1.8033 1.8462 1.8758 1.8948 2.0123 2.0540 2.0761 2.1134 2.1278 2.2986 2.3241 2.3659 2.3825 2.8360 2.8439 2.9963 3.0055 3.1828 3.2042 3.3860 3.3884 3.6875 3.6891 4.0873 4.0910 4.3525 4.3567 4.5571 4.5623 4.5694 4.5784 4.8668 4.8779 4.9692 4.9694 5.4393 5.4485 5.5367 5.5383 12.2081 12.2101 12.4104 12.4105 13.1861 13.1873 13.5838 13.5845 13.9070 13.9086 14.1818 14.1823 14.7277 14.7278 14.7804 14.7878 k = 0.5000-0.0000 0.1023 ( 4668 PWs) bands (ev): -11.4862 -11.4862 -11.3590 -11.3590 -11.2101 -11.2101 -10.8365 -10.8364 -10.6258 -10.6258 -10.2819 -10.2819 0.1738 0.1808 0.1844 0.1882 0.4472 0.4606 0.5409 0.5725 0.7550 0.8023 0.8086 0.8420 1.0347 1.0451 1.0895 1.0973 1.2258 1.2345 1.3109 1.3306 1.3899 1.4382 1.5628 1.5880 1.6087 1.6591 1.7549 1.8094 1.8537 1.8796 1.9040 2.0206 2.0651 2.0836 2.1210 2.1341 2.3058 2.3298 2.3643 2.3816 2.8329 2.8400 3.0090 3.0181 3.2000 3.2206 3.3716 3.3758 3.6995 3.6995 4.0836 4.0873 4.3261 4.3295 4.5664 4.5703 4.5776 4.5782 4.8726 4.8849 4.9761 4.9761 5.4140 5.4240 5.5231 5.5247 12.2223 12.2243 12.4203 12.4204 13.1848 13.1859 13.5741 13.5747 13.9109 13.9125 14.1854 14.1860 14.7296 14.7298 14.7935 14.8010 k = 0.5000-0.0000 0.0921 ( 4670 PWs) bands (ev): -11.4866 -11.4866 -11.3603 -11.3603 -11.2089 -11.2089 -10.8357 -10.8356 -10.6262 -10.6261 -10.2818 -10.2818 0.1770 0.1819 0.1915 0.1932 0.4435 0.4561 0.5239 0.5525 0.7501 0.7962 0.7989 0.8337 1.0344 1.0442 1.0896 1.0951 1.2287 1.2362 1.3142 1.3339 1.3842 1.4334 1.5664 1.5875 1.6125 1.6573 1.7566 1.8138 1.8609 1.8838 1.9127 2.0263 2.0755 2.0908 2.1292 2.1408 2.3126 2.3344 2.3635 2.3809 2.8297 2.8358 3.0216 3.0303 3.2197 3.2391 3.3588 3.3649 3.7087 3.7101 4.0780 4.0816 4.2977 4.3005 4.5639 4.5728 4.5904 4.5945 4.8802 4.8934 4.9831 4.9834 5.3881 5.3986 5.5087 5.5103 12.2364 12.2384 12.4301 12.4302 13.1834 13.1845 13.5644 13.5650 13.9149 13.9164 14.1889 14.1894 14.7317 14.7319 14.8066 14.8140 k = 0.5000-0.0000 0.0818 ( 4670 PWs) bands (ev): -11.4869 -11.4869 -11.3614 -11.3614 -11.2077 -11.2077 -10.8349 -10.8348 -10.6265 -10.6264 -10.2817 -10.2817 0.1791 0.1824 0.1996 0.2000 0.4395 0.4508 0.5075 0.5334 0.7451 0.7890 0.7919 0.8263 1.0340 1.0428 1.0900 1.0932 1.2316 1.2378 1.3175 1.3370 1.3792 1.4283 1.5694 1.5869 1.6168 1.6557 1.7587 1.8161 1.8677 1.8885 1.9213 2.0298 2.0849 2.0976 2.1377 2.1477 2.3189 2.3378 2.3637 2.3804 2.8264 2.8316 3.0338 3.0417 3.2414 3.2596 3.3482 3.3560 3.7165 3.7191 4.0701 4.0737 4.2691 4.2714 4.5611 4.5702 4.6088 4.6129 4.8893 4.9033 4.9902 4.9908 5.3618 5.3728 5.4939 5.4955 12.2501 12.2520 12.4396 12.4397 13.1819 13.1830 13.5550 13.5556 13.9188 13.9201 14.1922 14.1926 14.7337 14.7339 14.8193 14.8266 k = 0.5000-0.0000 0.0716 ( 4670 PWs) bands (ev): -11.4873 -11.4873 -11.3625 -11.3625 -11.2066 -11.2066 -10.8341 -10.8341 -10.6268 -10.6267 -10.2817 -10.2816 0.1806 0.1830 0.2078 0.2082 0.4351 0.4446 0.4920 0.5155 0.7402 0.7793 0.7890 0.8198 1.0334 1.0412 1.0904 1.0918 1.2342 1.2394 1.3207 1.3399 1.3753 1.4230 1.5720 1.5863 1.6214 1.6544 1.7612 1.8164 1.8741 1.8933 1.9300 2.0311 2.0931 2.1038 2.1458 2.1544 2.3243 2.3397 2.3651 2.3801 2.8232 2.8275 3.0449 3.0518 3.2646 3.2814 3.3402 3.3496 3.7226 3.7262 4.0599 4.0634 4.2417 4.2437 4.5584 4.5671 4.6279 4.6319 4.8996 4.9140 4.9972 4.9981 5.3358 5.3471 5.4789 5.4805 12.2631 12.2649 12.4487 12.4488 13.1805 13.1815 13.5460 13.5466 13.9226 13.9238 14.1952 14.1956 14.7358 14.7360 14.8315 14.8385 k = 0.5000-0.0000 0.0614 ( 4676 PWs) bands (ev): -11.4876 -11.4876 -11.3635 -11.3635 -11.2056 -11.2056 -10.8334 -10.8334 -10.6270 -10.6270 -10.2816 -10.2816 0.1819 0.1836 0.2161 0.2169 0.4302 0.4375 0.4780 0.4993 0.7359 0.7699 0.7873 0.8141 1.0327 1.0393 1.0909 1.0909 1.2365 1.2408 1.3239 1.3422 1.3726 1.4175 1.5740 1.5855 1.6259 1.6533 1.7641 1.8150 1.8799 1.8977 1.9391 2.0306 2.1002 2.1093 2.1534 2.1607 2.3288 2.3406 2.3674 2.3801 2.8202 2.8236 3.0545 3.0603 3.2881 3.3037 3.3354 3.3461 3.7272 3.7314 4.0471 4.0504 4.2170 4.2187 4.5562 4.5641 4.6468 4.6505 4.9109 4.9253 5.0040 5.0052 5.3107 5.3220 5.4642 5.4657 12.2751 12.2767 12.4571 12.4572 13.1792 13.1801 13.5377 13.5383 13.9261 13.9271 14.1978 14.1982 14.7377 14.7379 14.8429 14.8493 k = 0.5000-0.0000 0.0511 ( 4668 PWs) bands (ev): -11.4879 -11.4879 -11.3643 -11.3643 -11.2047 -11.2047 -10.8328 -10.8328 -10.6273 -10.6272 -10.2815 -10.2815 0.1830 0.1842 0.2245 0.2254 0.4245 0.4296 0.4663 0.4853 0.7324 0.7611 0.7866 0.8091 1.0321 1.0375 1.0903 1.0913 1.2386 1.2421 1.3269 1.3438 1.3713 1.4120 1.5757 1.5848 1.6304 1.6524 1.7676 1.8125 1.8854 1.9013 1.9487 2.0284 2.1062 2.1140 2.1602 2.1663 2.3323 2.3407 2.3701 2.3804 2.8175 2.8201 3.0623 3.0669 3.3101 3.3231 3.3360 3.3463 3.7302 3.7347 4.0319 4.0351 4.1964 4.1978 4.5545 4.5615 4.6646 4.6679 4.9226 4.9365 5.0104 5.0117 5.2870 5.2981 5.4503 5.4517 12.2859 12.2873 12.4646 12.4647 13.1780 13.1788 13.5303 13.5308 13.9293 13.9301 14.2001 14.2004 14.7395 14.7397 14.8532 14.8589 k = 0.5000-0.0000 0.0409 ( 4670 PWs) bands (ev): -11.4881 -11.4881 -11.3650 -11.3650 -11.2040 -11.2040 -10.8323 -10.8323 -10.6275 -10.6275 -10.2815 -10.2814 0.1840 0.1849 0.2327 0.2336 0.4179 0.4211 0.4576 0.4737 0.7299 0.7532 0.7866 0.8047 1.0315 1.0358 1.0901 1.0916 1.2404 1.2431 1.3298 1.3445 1.3717 1.4064 1.5771 1.5840 1.6345 1.6515 1.7714 1.8089 1.8902 1.9038 1.9586 2.0246 2.1114 2.1178 2.1659 2.1709 2.3349 2.3405 2.3729 2.3807 2.8152 2.8171 3.0681 3.0716 3.3263 3.3291 3.3512 3.3528 3.7320 3.7363 4.0154 4.0182 4.1803 4.1814 4.5535 4.5594 4.6804 4.6833 4.9343 4.9471 5.0162 5.0175 5.2657 5.2760 5.4378 5.4390 12.2951 12.2963 12.4711 12.4712 13.1769 13.1776 13.5240 13.5244 13.9320 13.9327 14.2020 14.2023 14.7411 14.7413 14.8621 14.8669 k = 0.5000-0.0000 0.0307 ( 4676 PWs) bands (ev): -11.4883 -11.4883 -11.3656 -11.3656 -11.2034 -11.2034 -10.8319 -10.8319 -10.6276 -10.6276 -10.2814 -10.2814 0.1848 0.1854 0.2401 0.2409 0.4109 0.4129 0.4519 0.4645 0.7285 0.7462 0.7872 0.8008 1.0311 1.0342 1.0902 1.0917 1.2418 1.2438 1.3325 1.3441 1.3736 1.4008 1.5782 1.5832 1.6382 1.6505 1.7756 1.8047 1.8945 1.9052 1.9687 2.0195 2.1156 2.1206 2.1705 2.1744 2.3368 2.3402 2.3754 2.3810 2.8134 2.8147 3.0722 3.0747 3.3313 3.3337 3.3667 3.3693 3.7329 3.7366 3.9993 4.0015 4.1686 4.1694 4.5531 4.5576 4.6936 4.6959 4.9453 4.9562 5.0211 5.0223 5.2478 5.2566 5.4272 5.4282 12.3026 12.3035 12.4763 12.4764 13.1761 13.1766 13.5189 13.5192 13.9343 13.9348 14.2036 14.2037 14.7424 14.7425 14.8695 14.8733 k = 0.5000-0.0000 0.0205 ( 4668 PWs) bands (ev): -11.4885 -11.4885 -11.3660 -11.3660 -11.2030 -11.2030 -10.8316 -10.8316 -10.6278 -10.6277 -10.2814 -10.2814 0.1855 0.1858 0.2462 0.2468 0.4047 0.4058 0.4490 0.4576 0.7284 0.7403 0.7883 0.7974 1.0309 1.0330 1.0905 1.0916 1.2429 1.2443 1.3351 1.3430 1.3767 1.3954 1.5792 1.5824 1.6414 1.6494 1.7802 1.8000 1.8982 1.9056 1.9787 2.0132 2.1189 2.1223 2.1741 2.1767 2.3380 2.3399 2.3775 2.3811 2.8120 2.8128 3.0749 3.0765 3.3337 3.3366 3.3811 3.3838 3.7335 3.7362 3.9856 3.9872 4.1608 4.1614 4.5532 4.5563 4.7037 4.7053 4.9550 4.9630 5.0250 5.0259 5.2345 5.2410 5.4192 5.4198 12.3081 12.3087 12.4802 12.4802 13.1755 13.1758 13.5152 13.5154 13.9360 13.9363 14.2047 14.2048 14.7434 14.7435 14.8751 14.8778 k = 0.5000-0.0000 0.0102 ( 4672 PWs) bands (ev): -11.4886 -11.4886 -11.3662 -11.3662 -11.2028 -11.2028 -10.8314 -10.8314 -10.6278 -10.6278 -10.2814 -10.2814 0.1859 0.1861 0.2503 0.2506 0.4004 0.4009 0.4483 0.4526 0.7295 0.7355 0.7899 0.7944 1.0309 1.0320 1.0908 1.0914 1.2437 1.2444 1.3374 1.3415 1.3807 1.3902 1.5801 1.5817 1.6440 1.6480 1.7851 1.7951 1.9012 1.9050 1.9884 2.0058 2.1212 2.1230 2.1765 2.1778 2.3388 2.3396 2.3792 2.3809 2.8113 2.8117 3.0765 3.0772 3.3360 3.3377 3.3914 3.3930 3.7339 3.7354 3.9766 3.9774 4.1565 4.1567 4.5536 4.5552 4.7101 4.7109 4.9623 4.9666 5.0275 5.0280 5.2267 5.2302 5.4142 5.4145 12.3116 12.3119 12.4825 12.4825 13.1751 13.1753 13.5129 13.5130 13.9370 13.9372 14.2053 14.2054 14.7440 14.7440 14.8789 14.8802 k = 0.5000-0.0000-0.0000 ( 4670 PWs) bands (ev): -11.4886 -11.4886 -11.3663 -11.3663 -11.2027 -11.2027 -10.8314 -10.8314 -10.6279 -10.6279 -10.2814 -10.2814 0.1861 0.1861 0.2519 0.2519 0.3990 0.3990 0.4496 0.4496 0.7319 0.7319 0.7920 0.7920 1.0313 1.0313 1.0911 1.0911 1.2442 1.2442 1.3396 1.3396 1.3852 1.3852 1.5809 1.5809 1.6462 1.6462 1.7901 1.7901 1.9035 1.9035 1.9975 1.9975 2.1226 2.1226 2.1777 2.1777 2.3393 2.3393 2.3803 2.3803 2.8112 2.8112 3.0772 3.0772 3.3375 3.3375 3.3956 3.3956 3.7346 3.7346 3.9737 3.9737 4.1551 4.1551 4.5543 4.5543 4.7126 4.7126 4.9664 4.9664 5.0286 5.0286 5.2252 5.2252 5.4126 5.4126 12.3128 12.3128 12.4833 12.4833 13.1750 13.1750 13.5122 13.5122 13.9374 13.9374 14.2056 14.2056 14.7442 14.7442 14.8806 14.8806 k = 0.0000 0.0000 0.2250 ( 4682 PWs) bands (ev): -12.2626 -12.2626 -11.7947 -11.7947 -11.2742 -11.2742 -10.8731 -10.8731 -10.4974 -10.4974 -10.3628 -10.3628 -0.0362 -0.0362 0.4035 0.4035 0.5323 0.5323 0.6377 0.6377 0.7111 0.7111 0.8841 0.8841 0.9317 0.9317 1.0514 1.0514 1.1514 1.1514 1.3157 1.3157 1.5254 1.5254 1.5916 1.5916 1.6353 1.6353 1.7247 1.7247 1.7993 1.7993 1.9871 1.9871 2.1471 2.1471 2.2284 2.2284 2.2866 2.2866 2.5416 2.5416 3.4866 3.4866 3.5604 3.5604 3.6056 3.6056 4.3523 4.3523 4.4879 4.4879 4.5778 4.5778 4.8508 4.8508 4.9622 4.9622 5.0242 5.0242 5.2937 5.2937 5.6470 5.6470 5.7267 5.7267 6.2516 6.2516 9.3099 9.3099 9.7510 9.7510 12.9041 12.9041 13.1444 13.1444 13.3099 13.3099 14.3912 14.3912 14.5374 14.5374 14.7102 14.7102 k = 0.0102-0.0000 0.2250 ( 4688 PWs) bands (ev): -12.2621 -12.2621 -11.7943 -11.7943 -11.2741 -11.2740 -10.8730 -10.8729 -10.4975 -10.4974 -10.3627 -10.3627 -0.0362 -0.0349 0.4037 0.4044 0.5292 0.5355 0.6346 0.6408 0.7086 0.7138 0.8821 0.8861 0.9290 0.9345 1.0498 1.0533 1.1497 1.1532 1.3148 1.3164 1.5180 1.5303 1.5886 1.5967 1.6335 1.6369 1.7205 1.7291 1.7973 1.8012 1.9805 1.9928 2.1470 2.1471 2.2253 2.2299 2.2829 2.2887 2.5401 2.5425 3.4831 3.4897 3.5346 3.5493 3.6192 3.6284 4.3504 4.3520 4.4870 4.4880 4.5740 4.5757 4.8510 4.8522 4.9565 4.9624 5.0212 5.0275 5.2922 5.2941 5.6420 5.6486 5.7261 5.7298 6.2502 6.2505 9.3122 9.3126 9.7534 9.7537 12.9063 12.9065 13.1461 13.1466 13.3121 13.3124 14.3911 14.3915 14.5387 14.5394 14.7111 14.7113 k = 0.0204-0.0000 0.2250 ( 4688 PWs) bands (ev): -12.2604 -12.2604 -11.7932 -11.7931 -11.2738 -11.2735 -10.8725 -10.8723 -10.4977 -10.4977 -10.3625 -10.3624 -0.0349 -0.0322 0.4052 0.4065 0.5260 0.5385 0.6316 0.6440 0.7064 0.7167 0.8803 0.8882 0.9266 0.9375 1.0486 1.0555 1.1482 1.1552 1.3136 1.3169 1.5092 1.5320 1.5881 1.6029 1.6320 1.6381 1.7165 1.7339 1.7954 1.8031 1.9733 1.9977 2.1468 2.1471 2.2207 2.2297 2.2778 2.2894 2.5378 2.5427 3.4747 3.4933 3.4995 3.5254 3.6495 3.6590 4.3462 4.3495 4.4853 4.4873 4.5645 4.5678 4.8527 4.8551 4.9460 4.9565 5.0192 5.0305 5.2895 5.2933 5.6346 5.6468 5.7282 5.7347 6.2464 6.2470 9.3196 9.3203 9.7610 9.7615 12.9129 12.9134 13.1518 13.1528 13.3189 13.3196 14.3914 14.3922 14.5431 14.5446 14.7140 14.7144 k = 0.0306-0.0000 0.2250 ( 4684 PWs) bands (ev): -12.2577 -12.2576 -11.7914 -11.7913 -11.2731 -11.2727 -10.8717 -10.8713 -10.4981 -10.4980 -10.3621 -10.3620 -0.0323 -0.0282 0.4076 0.4098 0.5228 0.5415 0.6288 0.6471 0.7043 0.7198 0.8785 0.8906 0.9244 0.9406 1.0477 1.0580 1.1469 1.1573 1.3123 1.3172 1.4997 1.5302 1.5898 1.6096 1.6315 1.6387 1.7129 1.7391 1.7936 1.8047 1.9655 2.0017 2.1463 2.1472 2.2146 2.2275 2.2717 2.2893 2.5349 2.5421 3.4534 3.4618 3.4984 3.5127 3.6807 3.6898 4.3392 4.3442 4.4826 4.4859 4.5503 4.5550 4.8553 4.8588 4.9317 4.9452 5.0176 5.0323 5.2859 5.2913 5.6255 5.6418 5.7326 5.7406 6.2402 6.2411 9.3319 9.3329 9.7736 9.7744 12.9239 12.9246 13.1613 13.1628 13.3304 13.3314 14.3919 14.3931 14.5507 14.5529 14.7191 14.7196 k = 0.0408-0.0000 0.2250 ( 4682 PWs) bands (ev): -12.2538 -12.2537 -11.7888 -11.7886 -11.2721 -11.2716 -10.8705 -10.8700 -10.4986 -10.4986 -10.3615 -10.3614 -0.0284 -0.0228 0.4110 0.4144 0.5197 0.5443 0.6265 0.6501 0.7025 0.7230 0.8767 0.8930 0.9225 0.9438 1.0471 1.0608 1.1458 1.1596 1.3107 1.3172 1.4898 1.5257 1.5919 1.6164 1.6326 1.6387 1.7094 1.7446 1.7918 1.8060 1.9571 2.0045 2.1453 2.1473 2.2073 2.2227 2.2657 2.2889 2.5311 2.5405 3.4210 3.4236 3.5038 3.5110 3.7108 3.7194 4.3288 4.3357 4.4791 4.4836 4.5330 4.5386 4.8582 4.8628 4.9140 4.9295 5.0159 5.0326 5.2815 5.2882 5.6154 5.6344 5.7383 5.7469 6.2317 6.2329 9.3490 9.3503 9.7912 9.7923 12.9391 12.9399 13.1746 13.1766 13.3467 13.3479 14.3926 14.3943 14.5612 14.5641 14.7264 14.7270 k = 0.0510-0.0000 0.2250 ( 4674 PWs) bands (ev): -12.2488 -12.2487 -11.7855 -11.7853 -11.2709 -11.2702 -10.8690 -10.8684 -10.4994 -10.4993 -10.3608 -10.3607 -0.0232 -0.0162 0.4152 0.4202 0.5167 0.5470 0.6247 0.6529 0.7010 0.7264 0.8749 0.8957 0.9210 0.9470 1.0468 1.0637 1.1448 1.1620 1.3090 1.3171 1.4798 1.5195 1.5927 1.6232 1.6346 1.6398 1.7063 1.7503 1.7899 1.8066 1.9484 2.0058 2.1438 2.1476 2.1992 2.2153 2.2606 2.2886 2.5264 2.5378 3.3839 3.3860 3.5093 3.5138 3.7393 3.7475 4.3141 4.3229 4.4746 4.4806 4.5143 4.5203 4.8604 4.8660 4.8937 4.9105 5.0134 5.0315 5.2765 5.2842 5.6045 5.6253 5.7446 5.7531 6.2211 6.2226 9.3707 9.3724 9.8137 9.8150 12.9581 12.9590 13.1915 13.1940 13.3678 13.3691 14.3934 14.3955 14.5741 14.5777 14.7363 14.7370 k = 0.0612-0.0000 0.2250 ( 4672 PWs) bands (ev): -12.2427 -12.2426 -11.7815 -11.7812 -11.2694 -11.2686 -10.8671 -10.8664 -10.5003 -10.5002 -10.3599 -10.3597 -0.0169 -0.0083 0.4199 0.4272 0.5137 0.5497 0.6236 0.6557 0.6998 0.7299 0.8731 0.8986 0.9197 0.9504 1.0469 1.0667 1.1440 1.1644 1.3069 1.3167 1.4697 1.5120 1.5915 1.6297 1.6339 1.6451 1.7033 1.7561 1.7879 1.8064 1.9396 2.0055 2.1413 2.1476 2.1909 2.2062 2.2565 2.2888 2.5206 2.5338 3.3453 3.3489 3.5144 3.5186 3.7660 3.7738 4.2942 4.3049 4.4686 4.4765 4.4962 4.5018 4.8591 4.8637 4.8758 4.8908 5.0100 5.0290 5.2710 5.2792 5.5930 5.6150 5.7509 5.7589 6.2085 6.2102 9.3970 9.3990 9.8409 9.8424 12.9807 12.9816 13.2119 13.2148 13.3937 13.3952 14.3942 14.3966 14.5891 14.5932 14.7490 14.7499 k = 0.0714-0.0000 0.2250 ( 4676 PWs) bands (ev): -12.2355 -12.2354 -11.7767 -11.7765 -11.2676 -11.2667 -10.8650 -10.8641 -10.5014 -10.5013 -10.3588 -10.3587 -0.0095 0.0008 0.4247 0.4355 0.5108 0.5524 0.6234 0.6583 0.6988 0.7335 0.8713 0.9016 0.9189 0.9537 1.0471 1.0697 1.1434 1.1669 1.3047 1.3161 1.4596 1.5036 1.5888 1.6304 1.6370 1.6526 1.7005 1.7613 1.7863 1.8051 1.9310 2.0032 2.1379 2.1470 2.1829 2.1973 2.2534 2.2894 2.5135 2.5284 3.3069 3.3123 3.5187 3.5239 3.7905 3.7982 4.2686 4.2809 4.4603 4.4704 4.4807 4.4856 4.8395 4.8497 4.8725 4.8789 5.0055 5.0251 5.2653 5.2737 5.5811 5.6036 5.7567 5.7642 6.1941 6.1960 9.4275 9.4298 9.8726 9.8743 13.0064 13.0073 13.2356 13.2389 13.4246 13.4262 14.3949 14.3977 14.6057 14.6102 14.7649 14.7660 k = 0.0816-0.0000 0.2250 ( 4680 PWs) bands (ev): -12.2273 -12.2271 -11.7713 -11.7710 -11.2656 -11.2645 -10.8624 -10.8615 -10.5026 -10.5025 -10.3576 -10.3574 -0.0010 0.0110 0.4293 0.4449 0.5079 0.5555 0.6242 0.6607 0.6982 0.7372 0.8694 0.9047 0.9185 0.9570 1.0475 1.0728 1.1430 1.1693 1.3022 1.3152 1.4497 1.4944 1.5850 1.6267 1.6428 1.6610 1.6979 1.7643 1.7861 1.8025 1.9231 1.9991 2.1338 2.1443 2.1761 2.1904 2.2509 2.2904 2.5051 2.5213 3.2694 3.2767 3.5221 3.5286 3.8125 3.8203 4.2373 4.2507 4.4494 4.4596 4.4693 4.4750 4.8111 4.8256 4.8709 4.8770 5.0001 5.0200 5.2594 5.2676 5.5688 5.5914 5.7619 5.7687 6.1780 6.1802 9.4621 9.4646 9.9086 9.9105 13.0347 13.0355 13.2622 13.2660 13.4605 13.4621 14.3953 14.3985 14.6232 14.6281 14.7841 14.7857 k = 0.0918-0.0000 0.2250 ( 4680 PWs) bands (ev): -12.2180 -12.2178 -11.7652 -11.7648 -11.2633 -11.2621 -10.8596 -10.8585 -10.5041 -10.5040 -10.3563 -10.3561 0.0084 0.0223 0.4334 0.4554 0.5050 0.5594 0.6261 0.6629 0.6980 0.7410 0.8676 0.9078 0.9185 0.9603 1.0480 1.0757 1.1427 1.1717 1.2994 1.3142 1.4398 1.4843 1.5807 1.6222 1.6476 1.6695 1.6956 1.7634 1.7887 1.7989 1.9166 1.9933 2.1295 2.1379 2.1725 2.1864 2.2489 2.2918 2.4952 2.5125 3.2331 3.2428 3.5241 3.5319 3.8316 3.8399 4.2010 4.2151 4.4373 4.4456 4.4609 4.4680 4.7802 4.7966 4.8690 4.8759 4.9940 5.0140 5.2535 5.2612 5.5560 5.5783 5.7663 5.7725 6.1606 6.1629 9.5004 9.5032 9.9487 9.9508 13.0651 13.0660 13.2916 13.2957 13.5013 13.5030 14.3955 14.3991 14.6412 14.6463 14.8067 14.8090 k = 0.1020-0.0000 0.2250 ( 4682 PWs) bands (ev): -12.2077 -12.2075 -11.7584 -11.7580 -11.2608 -11.2595 -10.8565 -10.8553 -10.5059 -10.5057 -10.3548 -10.3545 0.0187 0.0347 0.4365 0.4670 0.5020 0.5646 0.6291 0.6648 0.6983 0.7448 0.8658 0.9109 0.9192 0.9635 1.0485 1.0785 1.1425 1.1739 1.2962 1.3130 1.4301 1.4733 1.5760 1.6171 1.6508 1.6771 1.6936 1.7591 1.7907 1.7972 1.9120 1.9863 2.1246 2.1287 2.1722 2.1849 2.2471 2.2934 2.4837 2.5020 3.1986 3.2110 3.5241 3.5332 3.8470 3.8565 4.1612 4.1755 4.4256 4.4317 4.4529 4.4613 4.7475 4.7654 4.8662 4.8737 4.9874 5.0073 5.2475 5.2545 5.5427 5.5645 5.7696 5.7754 6.1419 6.1444 9.5424 9.5454 9.9927 9.9949 13.0971 13.0981 13.3235 13.3280 13.5469 13.5488 14.3954 14.3993 14.6592 14.6645 14.8329 14.8360 k = 0.1122-0.0000 0.2250 ( 4680 PWs) bands (ev): -12.1963 -12.1961 -11.7510 -11.7505 -11.2581 -11.2567 -10.8531 -10.8518 -10.5078 -10.5076 -10.3532 -10.3529 0.0298 0.0479 0.4384 0.4796 0.4988 0.5714 0.6331 0.6662 0.6993 0.7487 0.8641 0.9134 0.9207 0.9667 1.0490 1.0810 1.1425 1.1759 1.2925 1.3116 1.4204 1.4614 1.5711 1.6117 1.6514 1.6830 1.6928 1.7532 1.7864 1.8024 1.9096 1.9788 2.1148 2.1232 2.1737 2.1856 2.2455 2.2952 2.4709 2.4898 3.1662 3.1818 3.5215 3.5319 3.8573 3.8692 4.1199 4.1336 4.4145 4.4186 4.4446 4.4541 4.7135 4.7331 4.8621 4.8699 4.9804 4.9999 5.2415 5.2476 5.5289 5.5498 5.7720 5.7773 6.1223 6.1250 9.5876 9.5909 10.0402 10.0426 13.1301 13.1314 13.3576 13.3625 13.5971 13.5994 14.3950 14.3993 14.6770 14.6824 14.8623 14.8664 k = 0.1224-0.0000 0.2250 ( 4680 PWs) bands (ev): -12.1840 -12.1837 -11.7429 -11.7424 -11.2553 -11.2537 -10.8494 -10.8480 -10.5101 -10.5098 -10.3514 -10.3511 0.0414 0.0619 0.4390 0.4927 0.4957 0.5800 0.6382 0.6671 0.7009 0.7526 0.8624 0.9154 0.9232 0.9697 1.0494 1.0832 1.1427 1.1776 1.2880 1.3100 1.4108 1.4487 1.5659 1.6060 1.6487 1.6856 1.6939 1.7471 1.7815 1.8087 1.9094 1.9713 2.1026 2.1200 2.1753 2.1886 2.2441 2.2971 2.4567 2.4762 3.1362 3.1555 3.5159 3.5275 3.8603 3.8760 4.0802 4.0923 4.4040 4.4065 4.4353 4.4457 4.6790 4.7004 4.8568 4.8647 4.9732 4.9920 5.2354 5.2405 5.5145 5.5344 5.7733 5.7783 6.1019 6.1047 9.6360 9.6395 10.0911 10.0936 13.1637 13.1654 13.3937 13.3990 13.6516 13.6546 14.3944 14.3990 14.6942 14.6997 14.8945 14.8997 k = 0.1327-0.0000 0.2250 ( 4690 PWs) bands (ev): -12.1706 -12.1704 -11.7342 -11.7337 -11.2522 -11.2505 -10.8455 -10.8440 -10.5125 -10.5123 -10.3495 -10.3491 0.0535 0.0765 0.4384 0.4910 0.5078 0.5902 0.6444 0.6675 0.7033 0.7566 0.8608 0.9169 0.9263 0.9724 1.0496 1.0849 1.1429 1.1788 1.2824 1.3082 1.4012 1.4355 1.5605 1.6002 1.6427 1.6863 1.6946 1.7423 1.7781 1.8147 1.9113 1.9641 2.0902 2.1171 2.1764 2.1936 2.2428 2.2989 2.4417 2.4617 3.1088 3.1322 3.5067 3.5195 3.8528 3.8736 4.0460 4.0553 4.3931 4.3961 4.4247 4.4357 4.6446 4.6681 4.8504 4.8581 4.9656 4.9835 5.2292 5.2331 5.4995 5.5182 5.7735 5.7784 6.0810 6.0839 9.6873 9.6909 10.1451 10.1477 13.1974 13.1997 13.4314 13.4372 13.7102 13.7139 14.3936 14.3987 14.7106 14.7164 14.9292 14.9355 k = 0.1429-0.0000 0.2250 ( 4688 PWs) bands (ev): -12.1564 -12.1560 -11.7249 -11.7244 -11.2490 -11.2472 -10.8414 -10.8398 -10.5153 -10.5150 -10.3474 -10.3471 0.0658 0.0917 0.4369 0.4867 0.5229 0.6016 0.6517 0.6674 0.7065 0.7608 0.8592 0.9181 0.9297 0.9750 1.0494 1.0861 1.1431 1.1794 1.2753 1.3063 1.3920 1.4223 1.5548 1.5942 1.6341 1.6868 1.6922 1.7399 1.7770 1.8202 1.9149 1.9572 2.0779 2.1142 2.1769 2.2002 2.2419 2.3005 2.4264 2.4469 3.0841 3.1119 3.4936 3.5076 3.8316 3.8580 4.0210 4.0275 4.3819 4.3872 4.4122 4.4242 4.6113 4.6370 4.8431 4.8503 4.9578 4.9746 5.2226 5.2255 5.4839 5.5012 5.7726 5.7775 6.0597 6.0628 9.7414 9.7451 10.2018 10.2046 13.2309 13.2338 13.4706 13.4769 13.7722 13.7768 14.3928 14.3984 14.7261 14.7323 14.9657 14.9731 k = 0.1531-0.0000 0.2250 ( 4688 PWs) bands (ev): -12.1411 -12.1408 -11.7151 -11.7146 -11.2457 -11.2438 -10.8370 -10.8354 -10.5184 -10.5180 -10.3453 -10.3449 0.0783 0.1071 0.4347 0.4821 0.5388 0.6134 0.6604 0.6670 0.7106 0.7652 0.8577 0.9193 0.9331 0.9773 1.0489 1.0867 1.1433 1.1794 1.2664 1.3042 1.3833 1.4098 1.5486 1.5881 1.6247 1.6858 1.6871 1.7405 1.7779 1.8249 1.9194 1.9505 2.0659 2.1110 2.1770 2.2078 2.2415 2.3015 2.4117 2.4324 3.0619 3.0946 3.4763 3.4915 3.7973 3.8279 4.0049 4.0105 4.3707 4.3792 4.3978 4.4112 4.5799 4.6079 4.8350 4.8416 4.9494 4.9651 5.2157 5.2176 5.4676 5.4835 5.7707 5.7757 6.0381 6.0414 9.7979 9.8019 10.2611 10.2640 13.2639 13.2673 13.5109 13.5177 13.8369 13.8427 14.3923 14.3985 14.7405 14.7472 15.0035 15.0121 k = 0.1633-0.0000 0.2250 ( 4682 PWs) bands (ev): -12.1250 -12.1247 -11.7048 -11.7042 -11.2423 -11.2403 -10.8325 -10.8307 -10.5217 -10.5214 -10.3431 -10.3427 0.0907 0.1227 0.4319 0.4773 0.5551 0.6250 0.6657 0.6711 0.7158 0.7699 0.8561 0.9204 0.9363 0.9791 1.0477 1.0866 1.1434 1.1786 1.2556 1.3020 1.3757 1.3984 1.5419 1.5816 1.6161 1.6765 1.6873 1.7434 1.7802 1.8290 1.9237 1.9439 2.0544 2.1072 2.1767 2.2160 2.2419 2.3015 2.3987 2.4192 3.0420 3.0798 3.4546 3.4708 3.7540 3.7871 3.9935 4.0011 4.3584 4.3709 4.3822 4.3983 4.5512 4.5813 4.8264 4.8322 4.9405 4.9549 5.2083 5.2094 5.4506 5.4651 5.7677 5.7731 6.0166 6.0201 9.8568 9.8609 10.3227 10.3256 13.2959 13.2999 13.5519 13.5594 13.9036 13.9105 14.3926 14.3994 14.7536 14.7608 15.0421 15.0519 k = 0.1735-0.0000 0.2250 ( 4682 PWs) bands (ev): -12.1080 -12.1076 -11.6939 -11.6934 -11.2388 -11.2367 -10.8278 -10.8260 -10.5254 -10.5250 -10.3407 -10.3403 0.1028 0.1381 0.4288 0.4724 0.5718 0.6357 0.6647 0.6820 0.7226 0.7750 0.8545 0.9213 0.9391 0.9806 1.0458 1.0858 1.1433 1.1764 1.2435 1.2995 1.3695 1.3887 1.5346 1.5748 1.6093 1.6652 1.6873 1.7476 1.7831 1.8326 1.9259 1.9379 2.0439 2.1027 2.1763 2.2241 2.2438 2.2999 2.3887 2.4079 3.0240 3.0672 3.4282 3.4456 3.7062 3.7408 3.9831 3.9941 4.3434 4.3559 4.3717 4.3875 4.5259 4.5577 4.8174 4.8223 4.9307 4.9439 5.1999 5.2010 5.4331 5.4461 5.7638 5.7697 5.9951 5.9988 9.9180 9.9222 10.3864 10.3893 13.3267 13.3313 13.5933 13.6014 13.9709 13.9792 14.3942 14.4018 14.7651 14.7730 15.0810 15.0920 k = 0.1837-0.0000 0.2250 ( 4682 PWs) bands (ev): -12.0902 -12.0898 -11.6826 -11.6820 -11.2352 -11.2331 -10.8229 -10.8211 -10.5294 -10.5289 -10.3383 -10.3379 0.1145 0.1532 0.4254 0.4674 0.5888 0.6453 0.6635 0.6926 0.7320 0.7806 0.8527 0.9220 0.9411 0.9815 1.0427 1.0844 1.1429 1.1724 1.2317 1.2969 1.3651 1.3808 1.5267 1.5681 1.6044 1.6526 1.6871 1.7526 1.7861 1.8357 1.9220 1.9349 2.0350 2.0977 2.1759 2.2310 2.2482 2.2967 2.3822 2.3993 3.0072 3.0561 3.3974 3.4157 3.6570 3.6927 3.9709 3.9860 4.3245 4.3343 4.3673 4.3806 4.5040 4.5370 4.8081 4.8122 4.9202 4.9321 5.1907 5.1922 5.4150 5.4265 5.7591 5.7655 5.9738 5.9778 9.9812 9.9856 10.4518 10.4548 13.3560 13.3613 13.6347 13.6435 14.0372 14.0469 14.3982 14.4067 14.7752 14.7838 15.1199 15.1320 k = 0.1939-0.0000 0.2250 ( 4680 PWs) bands (ev): -12.0716 -12.0711 -11.6708 -11.6702 -11.2316 -11.2294 -10.8180 -10.8162 -10.5337 -10.5332 -10.3358 -10.3354 0.1255 0.1675 0.4219 0.4623 0.6058 0.6541 0.6624 0.7012 0.7450 0.7869 0.8509 0.9223 0.9422 0.9820 1.0382 1.0824 1.1419 1.1661 1.2226 1.2940 1.3621 1.3753 1.5182 1.5620 1.6011 1.6392 1.6868 1.7574 1.7893 1.8383 1.9128 1.9329 2.0286 2.0925 2.1762 2.2363 2.2554 2.2921 2.3788 2.3940 2.9909 3.0457 3.3623 3.3816 3.6087 3.6452 3.9553 3.9749 4.3018 4.3108 4.3656 4.3773 4.4853 4.5190 4.7987 4.8018 4.9087 4.9195 5.1807 5.1827 5.3963 5.4064 5.7535 5.7606 5.9529 5.9571 10.0464 10.0509 10.5188 10.5218 13.3838 13.3895 13.6755 13.6851 14.1000 14.1113 14.4059 14.4154 14.7839 14.7933 15.1582 15.1716 k = 0.2041-0.0000 0.2250 ( 4674 PWs) bands (ev): -12.0522 -12.0517 -11.6586 -11.6580 -11.2281 -11.2258 -10.8130 -10.8111 -10.5383 -10.5378 -10.3333 -10.3328 0.1357 0.1810 0.4182 0.4571 0.6225 0.6613 0.6625 0.7074 0.7610 0.7940 0.8491 0.9221 0.9420 0.9821 1.0322 1.0799 1.1384 1.1594 1.2174 1.2910 1.3598 1.3726 1.5092 1.5567 1.5986 1.6253 1.6864 1.7609 1.7933 1.8403 1.9011 1.9291 2.0247 2.0877 2.1774 2.2405 2.2646 2.2874 2.3773 2.3928 2.9743 3.0351 3.3233 3.3438 3.5628 3.5997 3.9358 3.9597 4.2764 4.2869 4.3663 4.3768 4.4692 4.5033 4.7892 4.7915 4.8962 4.9059 5.1699 5.1723 5.3772 5.3858 5.7473 5.7552 5.9323 5.9368 10.1134 10.1180 10.5872 10.5902 13.4097 13.4159 13.7153 13.7256 14.1562 14.1688 14.4197 14.4298 14.7921 14.8023 15.1954 15.2102 k = 0.2143-0.0000 0.2250 ( 4674 PWs) bands (ev): -12.0321 -12.0316 -11.6461 -11.6455 -11.2245 -11.2222 -10.8080 -10.8061 -10.5433 -10.5427 -10.3307 -10.3302 0.1449 0.1932 0.4143 0.4515 0.6383 0.6617 0.6699 0.7115 0.7779 0.8024 0.8476 0.9212 0.9401 0.9823 1.0248 1.0767 1.1307 1.1565 1.2160 1.2878 1.3579 1.3729 1.4997 1.5523 1.5948 1.6129 1.6859 1.7620 1.7988 1.8411 1.8877 1.9241 2.0228 2.0839 2.1801 2.2440 2.2742 2.2840 2.3769 2.3957 2.9564 3.0232 3.2812 3.3030 3.5205 3.5572 3.9124 3.9401 4.2498 4.2625 4.3687 4.3784 4.4555 4.4897 4.7796 4.7812 4.8827 4.8915 5.1585 5.1611 5.3576 5.3649 5.7404 5.7491 5.9122 5.9171 10.1821 10.1869 10.6568 10.6598 13.4336 13.4402 13.7534 13.7645 14.2025 14.2158 14.4412 14.4511 14.8011 14.8120 15.2311 15.2472 k = 0.2245-0.0000 0.2250 ( 4668 PWs) bands (ev): -12.0113 -12.0107 -11.6332 -11.6326 -11.2211 -11.2187 -10.8031 -10.8011 -10.5486 -10.5479 -10.3281 -10.3275 0.1531 0.2039 0.4100 0.4454 0.6508 0.6648 0.6779 0.7141 0.7924 0.8139 0.8468 0.9196 0.9362 0.9826 1.0165 1.0722 1.1215 1.1576 1.2171 1.2847 1.3564 1.3756 1.4896 1.5484 1.5844 1.6072 1.6852 1.7601 1.8061 1.8407 1.8738 1.9191 2.0222 2.0812 2.1843 2.2467 2.2791 2.2873 2.3778 2.4015 2.9362 3.0088 3.2371 3.2605 3.4826 3.5185 3.8855 3.9166 4.2225 4.2378 4.3720 4.3812 4.4442 4.4779 4.7697 4.7713 4.8683 4.8763 5.1464 5.1489 5.3375 5.3436 5.7331 5.7427 5.8926 5.8979 10.2525 10.2574 10.7274 10.7304 13.4555 13.4623 13.7893 13.8011 14.2372 14.2500 14.4698 14.4784 14.8130 14.8246 15.2641 15.2815 k = 0.2347-0.0000 0.2250 ( 4664 PWs) bands (ev): -11.9898 -11.9893 -11.6200 -11.6194 -11.2177 -11.2153 -10.7981 -10.7962 -10.5541 -10.5534 -10.3254 -10.3249 0.1601 0.2130 0.4051 0.4385 0.6564 0.6731 0.6875 0.7157 0.8015 0.8290 0.8476 0.9173 0.9305 0.9829 1.0088 1.0654 1.1146 1.1610 1.2199 1.2817 1.3557 1.3800 1.4788 1.5445 1.5691 1.6072 1.6840 1.7556 1.8140 1.8393 1.8604 1.9153 2.0223 2.0797 2.1902 2.2477 2.2801 2.2971 2.3806 2.4091 2.9129 2.9905 3.1920 3.2172 3.4497 3.4840 3.8559 3.8898 4.1949 4.2125 4.3747 4.3841 4.4360 4.4681 4.7596 4.7617 4.8529 4.8603 5.1336 5.1358 5.3170 5.3221 5.7254 5.7358 5.8735 5.8792 10.3244 10.3294 10.7988 10.8018 13.4751 13.4821 13.8223 13.8349 14.2613 14.2731 14.5004 14.5068 14.8310 14.8431 15.2929 15.3112 k = 0.2449-0.0000 0.2250 ( 4660 PWs) bands (ev): -11.9678 -11.9672 -11.6066 -11.6060 -11.2145 -11.2120 -10.7934 -10.7914 -10.5599 -10.5592 -10.3228 -10.3222 0.1660 0.2203 0.3993 0.4306 0.6592 0.6811 0.6998 0.7169 0.8060 0.8421 0.8530 0.9153 0.9236 0.9811 1.0045 1.0565 1.1113 1.1661 1.2239 1.2790 1.3557 1.3859 1.4675 1.5373 1.5555 1.6093 1.6822 1.7494 1.8193 1.8381 1.8501 1.9133 2.0231 2.0791 2.1974 2.2473 2.2826 2.3073 2.3852 2.4178 2.8858 2.9672 3.1471 3.1740 3.4225 3.4542 3.8244 3.8607 4.1668 4.1866 4.3744 4.3857 4.4325 4.4608 4.7495 4.7523 4.8368 4.8438 5.1201 5.1221 5.2961 5.3002 5.7174 5.7287 5.8550 5.8612 10.3978 10.4029 10.8708 10.8738 13.4924 13.4996 13.8518 13.8652 14.2779 14.2887 14.5253 14.5298 14.8577 14.8701 15.3144 15.3323 k = 0.2551-0.0000 0.2250 ( 4660 PWs) bands (ev): -11.9453 -11.9446 -11.5930 -11.5924 -11.2114 -11.2089 -10.7888 -10.7869 -10.5660 -10.5652 -10.3201 -10.3196 0.1707 0.2258 0.3923 0.4215 0.6623 0.6867 0.7105 0.7212 0.8071 0.8479 0.8636 0.9150 0.9167 0.9755 1.0063 1.0467 1.1108 1.1724 1.2286 1.2766 1.3561 1.3928 1.4560 1.5222 1.5494 1.6127 1.6795 1.7426 1.8173 1.8340 1.8510 1.9131 2.0246 2.0791 2.2055 2.2459 2.2864 2.3175 2.3916 2.4270 2.8551 2.9387 3.1032 3.1312 3.4011 3.4293 3.7920 3.8303 4.1383 4.1601 4.3690 4.3847 4.4345 4.4571 4.7395 4.7430 4.8202 4.8269 5.1060 5.1080 5.2748 5.2779 5.7091 5.7213 5.8372 5.8437 10.4726 10.4778 10.9433 10.9463 13.5074 13.5146 13.8773 13.8915 14.2899 14.3002 14.5397 14.5436 14.8928 14.9059 15.3243 15.3392 k = 0.2653-0.0000 0.2250 ( 4662 PWs) bands (ev): -11.9223 -11.9216 -11.5792 -11.5786 -11.2085 -11.2060 -10.7845 -10.7826 -10.5722 -10.5713 -10.3175 -10.3169 0.1743 0.2297 0.3840 0.4111 0.6663 0.6904 0.7129 0.7340 0.8057 0.8513 0.8700 0.9078 0.9219 0.9683 1.0127 1.0372 1.1120 1.1799 1.2336 1.2747 1.3566 1.4005 1.4451 1.5030 1.5475 1.6169 1.6753 1.7363 1.8093 1.8282 1.8609 1.9143 2.0269 2.0795 2.2141 2.2444 2.2905 2.3276 2.3993 2.4360 2.8216 2.9054 3.0605 3.0891 3.3855 3.4093 3.7594 3.7993 4.1093 4.1328 4.3587 4.3798 4.4406 4.4574 4.7294 4.7338 4.8033 4.8099 5.0912 5.0939 5.2529 5.2553 5.7008 5.7138 5.8199 5.8269 10.5487 10.5539 11.0162 11.0192 13.5199 13.5271 13.8982 13.9133 14.2991 14.3093 14.5431 14.5476 14.9321 14.9464 15.3179 15.3300 k = 0.2755-0.0000 0.2250 ( 4660 PWs) bands (ev): -11.8988 -11.8981 -11.5652 -11.5647 -11.2059 -11.2034 -10.7805 -10.7786 -10.5785 -10.5776 -10.3149 -10.3143 0.1769 0.2319 0.3742 0.3993 0.6710 0.6923 0.7135 0.7485 0.8026 0.8529 0.8709 0.8998 0.9315 0.9633 1.0201 1.0307 1.1143 1.1880 1.2385 1.2737 1.3569 1.4086 1.4360 1.4833 1.5470 1.6220 1.6697 1.7314 1.7993 1.8236 1.8727 1.9170 2.0299 2.0805 2.2224 2.2434 2.2946 2.3373 2.4076 2.4441 2.7870 2.8690 3.0188 3.0472 3.3751 3.3940 3.7273 3.7687 4.0798 4.1050 4.3450 4.3705 4.4489 4.4610 4.7194 4.7245 4.7866 4.7930 5.0760 5.0799 5.2305 5.2322 5.6924 5.7062 5.8032 5.8108 10.6260 10.6313 11.0892 11.0923 13.5300 13.5372 13.9144 13.9304 14.3064 14.3169 14.5383 14.5437 14.9674 14.9838 15.2970 15.3135 k = 0.2857-0.0000 0.2250 ( 4658 PWs) bands (ev): -11.8750 -11.8743 -11.5512 -11.5507 -11.2035 -11.2010 -10.7769 -10.7752 -10.5849 -10.5839 -10.3123 -10.3118 0.1786 0.2327 0.3629 0.3863 0.6760 0.6925 0.7143 0.7610 0.7990 0.8521 0.8699 0.8923 0.9373 0.9658 1.0167 1.0386 1.1173 1.1964 1.2424 1.2741 1.3567 1.4156 1.4306 1.4648 1.5472 1.6276 1.6628 1.7278 1.7889 1.8199 1.8843 1.9212 2.0334 2.0821 2.2295 2.2438 2.2987 2.3466 2.4157 2.4500 2.7534 2.8316 2.9777 3.0054 3.3689 3.3831 3.6963 3.7388 4.0502 4.0770 4.3287 4.3576 4.4577 4.4666 4.7093 4.7150 4.7707 4.7767 5.0608 5.0661 5.2074 5.2087 5.6840 5.6985 5.7872 5.7952 10.7044 10.7098 11.1623 11.1654 13.5378 13.5448 13.9256 13.9425 14.3118 14.3229 14.5285 14.5346 14.9886 15.0068 15.2756 15.2992 k = 0.2959-0.0000 0.2250 ( 4658 PWs) bands (ev): -11.8509 -11.8501 -11.5372 -11.5367 -11.2013 -11.1988 -10.7740 -10.7722 -10.5912 -10.5902 -10.3098 -10.3093 0.1794 0.2321 0.3505 0.3722 0.6802 0.6917 0.7154 0.7669 0.7986 0.8492 0.8690 0.8859 0.9369 0.9769 1.0098 1.0529 1.1208 1.2043 1.2449 1.2765 1.3560 1.4181 1.4302 1.4512 1.5480 1.6337 1.6549 1.7252 1.7789 1.8168 1.8943 1.9274 2.0371 2.0843 2.2344 2.2466 2.3028 2.3551 2.4219 2.4523 2.7239 2.7959 2.9368 2.9635 3.3659 3.3759 3.6669 3.7101 4.0208 4.0489 4.3101 4.3417 4.4660 4.4724 4.6991 4.7053 4.7562 4.7615 5.0458 5.0527 5.1835 5.1847 5.6758 5.6909 5.7718 5.7803 10.7839 10.7893 11.2353 11.2384 13.5432 13.5501 13.9318 13.9497 14.3147 14.3264 14.5164 14.5229 14.9869 15.0045 15.2667 15.2938 k = 0.3061-0.0000 0.2250 ( 4656 PWs) bands (ev): -11.8266 -11.8258 -11.5232 -11.5227 -11.1995 -11.1970 -10.7716 -10.7700 -10.5974 -10.5962 -10.3074 -10.3068 0.1794 0.2303 0.3373 0.3574 0.6821 0.6911 0.7160 0.7626 0.8037 0.8455 0.8688 0.8814 0.9354 0.9902 1.0043 1.0688 1.1247 1.2104 1.2461 1.2812 1.3555 1.4153 1.4271 1.4517 1.5492 1.6399 1.6465 1.7229 1.7697 1.8142 1.9019 1.9358 2.0407 2.0871 2.2376 2.2516 2.3072 2.3622 2.4243 2.4496 2.7015 2.7646 2.8963 2.9218 3.3649 3.3719 3.6392 3.6827 3.9920 4.0214 4.2896 4.3233 4.4728 4.4772 4.6887 4.6950 4.7437 4.7481 5.0313 5.0399 5.1589 5.1602 5.6677 5.6834 5.7571 5.7661 10.8644 10.8698 11.3081 11.3112 13.5464 13.5531 13.9333 13.9522 14.3139 14.3264 14.5043 14.5109 14.9621 14.9764 15.2695 15.2954 k = 0.3163-0.0000 0.2250 ( 4656 PWs) bands (ev): -11.8022 -11.8013 -11.5093 -11.5088 -11.1980 -11.1956 -10.7701 -10.7685 -10.6032 -10.6020 -10.3050 -10.3045 0.1786 0.2271 0.3239 0.3423 0.6811 0.6901 0.7154 0.7520 0.8090 0.8434 0.8696 0.8803 0.9348 0.9944 1.0092 1.0847 1.1290 1.2132 1.2476 1.2875 1.3563 1.4054 1.4284 1.4612 1.5510 1.6378 1.6461 1.7201 1.7617 1.8123 1.9072 1.9453 2.0442 2.0903 2.2412 2.2572 2.3119 2.3671 2.4200 2.4419 2.6883 2.7405 2.8562 2.8804 3.3648 3.3708 3.6133 3.6564 3.9642 3.9948 4.2672 4.3026 4.4771 4.4801 4.6783 4.6844 4.7336 4.7370 5.0176 5.0279 5.1336 5.1351 5.6598 5.6761 5.7429 5.7524 10.9457 10.9512 11.3804 11.3836 13.5474 13.5539 13.9304 13.9504 14.3077 14.3211 14.4939 14.5006 14.9212 14.9320 15.2730 15.2950 k = 0.3265-0.0000 0.2250 ( 4658 PWs) bands (ev): -11.7776 -11.7767 -11.4955 -11.4951 -11.1969 -11.1945 -10.7695 -10.7679 -10.6086 -10.6074 -10.3028 -10.3022 0.1770 0.2227 0.3108 0.3272 0.6779 0.6866 0.7124 0.7399 0.8110 0.8443 0.8708 0.8839 0.9354 0.9902 1.0232 1.0993 1.1342 1.2119 1.2506 1.2947 1.3587 1.3955 1.4339 1.4730 1.5533 1.6290 1.6516 1.7163 1.7553 1.8109 1.9111 1.9546 2.0474 2.0933 2.2463 2.2629 2.3165 2.3670 2.4096 2.4302 2.6845 2.7262 2.8170 2.8399 3.3651 3.3716 3.5890 3.6308 3.9381 3.9696 4.2433 4.2801 4.4780 4.4805 4.6682 4.6736 4.7257 4.7290 5.0047 5.0167 5.1077 5.1095 5.6521 5.6689 5.7294 5.7394 11.0277 11.0332 11.4522 11.4554 13.5464 13.5528 13.9236 13.9447 14.2948 14.3092 14.4863 14.4930 14.8718 14.8805 15.2676 15.2853 k = 0.3367-0.0000 0.2250 ( 4658 PWs) bands (ev): -11.7532 -11.7522 -11.4819 -11.4815 -11.1962 -11.1938 -10.7699 -10.7684 -10.6135 -10.6121 -10.3006 -10.3000 0.1747 0.2168 0.2985 0.3125 0.6708 0.6814 0.7038 0.7307 0.8113 0.8475 0.8721 0.8917 0.9372 0.9860 1.0378 1.1111 1.1409 1.2075 1.2544 1.3018 1.3618 1.3904 1.4416 1.4857 1.5564 1.6200 1.6559 1.7117 1.7507 1.8101 1.9142 1.9623 2.0503 2.0956 2.2535 2.2689 2.3194 2.3575 2.4013 2.4139 2.6879 2.7224 2.7793 2.8014 3.3658 3.3731 3.5660 3.6056 3.9140 3.9462 4.2184 4.2560 4.4746 4.4780 4.6588 4.6632 4.7203 4.7240 4.9929 5.0065 5.0814 5.0834 5.6447 5.6619 5.7165 5.7270 11.1104 11.1159 11.5233 11.5265 13.5434 13.5497 13.9135 13.9355 14.2742 14.2896 14.4813 14.4882 14.8195 14.8280 15.2495 15.2639 k = 0.3469-0.0000 0.2250 ( 4664 PWs) bands (ev): -11.7288 -11.7278 -11.4686 -11.4682 -11.1958 -11.1935 -10.7714 -10.7700 -10.6177 -10.6163 -10.2985 -10.2980 0.1716 0.2096 0.2875 0.2987 0.6579 0.6755 0.6901 0.7263 0.8118 0.8519 0.8737 0.9017 0.9399 0.9824 1.0520 1.1190 1.1494 1.2017 1.2579 1.3079 1.3644 1.3929 1.4510 1.4986 1.5604 1.6110 1.6576 1.7075 1.7474 1.8099 1.9166 1.9677 2.0528 2.0968 2.2625 2.2755 2.3130 2.3460 2.3913 2.4008 2.6942 2.7269 2.7438 2.7691 3.3667 3.3743 3.5441 3.5804 3.8922 3.9248 4.1930 4.2311 4.4672 4.4721 4.6502 4.6533 4.7173 4.7215 4.9822 4.9973 5.0548 5.0570 5.6376 5.6551 5.7042 5.7151 11.1935 11.1990 11.5934 11.5967 13.5385 13.5447 13.9007 13.9236 14.2458 14.2619 14.4780 14.4851 14.7686 14.7779 15.2187 15.2321 k = 0.3571-0.0000 0.2250 ( 4670 PWs) bands (ev): -11.7046 -11.7036 -11.4556 -11.4551 -11.1959 -11.1936 -10.7740 -10.7727 -10.6211 -10.6196 -10.2965 -10.2960 0.1677 0.2011 0.2778 0.2858 0.6407 0.6620 0.6813 0.7241 0.8131 0.8575 0.8752 0.9117 0.9436 0.9801 1.0655 1.1236 1.1589 1.1957 1.2606 1.3121 1.3680 1.4021 1.4616 1.5114 1.5657 1.6018 1.6556 1.7053 1.7449 1.8104 1.9184 1.9707 2.0544 2.0966 2.2679 2.2826 2.2952 2.3453 2.3680 2.4012 2.6911 2.7093 2.7354 2.7585 3.3672 3.3742 3.5233 3.5552 3.8724 3.9053 4.1679 4.2061 4.4564 4.4630 4.6420 4.6442 4.7167 4.7209 4.9724 4.9891 5.0281 5.0308 5.6309 5.6486 5.6925 5.7039 11.2768 11.2823 11.6624 11.6657 13.5317 13.5380 13.8860 13.9095 14.2100 14.2264 14.4745 14.4820 14.7228 14.7328 15.1782 15.1923 k = 0.3673-0.0000 0.2250 ( 4674 PWs) bands (ev): -11.6808 -11.6797 -11.4429 -11.4425 -11.1964 -11.1941 -10.7778 -10.7765 -10.6237 -10.6223 -10.2947 -10.2942 0.1632 0.1918 0.2693 0.2742 0.6214 0.6416 0.6782 0.7223 0.8150 0.8640 0.8767 0.9206 0.9477 0.9798 1.0779 1.1262 1.1678 1.1902 1.2622 1.3144 1.3750 1.4150 1.4731 1.5234 1.5727 1.5926 1.6495 1.7059 1.7430 1.8113 1.9193 1.9716 2.0549 2.0953 2.2488 2.2864 2.2997 2.3362 2.3566 2.4028 2.6699 2.6777 2.7499 2.7730 3.3662 3.3712 3.5044 3.5309 3.8540 3.8870 4.1442 4.1819 4.4431 4.4514 4.6338 4.6361 4.7178 4.7214 4.9632 4.9818 5.0016 5.0056 5.6246 5.6425 5.6814 5.6932 11.3602 11.3657 11.7301 11.7335 13.5229 13.5293 13.8700 13.8939 14.1674 14.1838 14.4685 14.4766 14.6848 14.6952 15.1313 15.1469 k = 0.3776-0.0000 0.2250 ( 4666 PWs) bands (ev): -11.6575 -11.6564 -11.4308 -11.4303 -11.1973 -11.1951 -10.7826 -10.7813 -10.6256 -10.6241 -10.2929 -10.2925 0.1582 0.1821 0.2615 0.2639 0.6010 0.6197 0.6767 0.7204 0.8174 0.8708 0.8779 0.9280 0.9512 0.9826 1.0885 1.1284 1.1741 1.1868 1.2630 1.3155 1.3855 1.4298 1.4851 1.5341 1.5816 1.5835 1.6407 1.7083 1.7418 1.8126 1.9191 1.9712 2.0539 2.0931 2.2176 2.2855 2.3148 2.3161 2.3613 2.4049 2.6423 2.6523 2.7720 2.7959 3.3610 3.3638 3.4895 3.5092 3.8357 3.8688 4.1231 4.1595 4.4284 4.4381 4.6255 4.6286 4.7198 4.7222 4.9533 4.9730 4.9774 4.9836 5.6187 5.6367 5.6709 5.6831 11.4432 11.4487 11.7962 11.7997 13.5119 13.5185 13.8532 13.8773 14.1193 14.1353 14.4577 14.4670 14.6566 14.6665 15.0814 15.0985 k = 0.3878-0.0000 0.2250 ( 4666 PWs) bands (ev): -11.6348 -11.6336 -11.4191 -11.4186 -11.1987 -11.1965 -10.7882 -10.7870 -10.6268 -10.6253 -10.2913 -10.2909 0.1530 0.1725 0.2531 0.2559 0.5808 0.5980 0.6758 0.7183 0.8201 0.8775 0.8786 0.9337 0.9537 0.9885 1.0957 1.1319 1.1740 1.1889 1.2633 1.3163 1.3981 1.4452 1.4972 1.5433 1.5754 1.5923 1.6309 1.7109 1.7416 1.8139 1.9172 1.9703 2.0514 2.0900 2.1855 2.2698 2.3069 2.3318 2.3667 2.4073 2.6167 2.6345 2.7983 2.8225 3.3460 3.3524 3.4800 3.4935 3.8162 3.8492 4.1055 4.1402 4.4133 4.4241 4.6174 4.6214 4.7208 4.7227 4.9400 4.9499 4.9650 4.9723 5.6133 5.6312 5.6611 5.6736 11.5256 11.5311 11.8605 11.8640 13.4982 13.5051 13.8362 13.8600 14.0679 14.0830 14.4407 14.4516 14.6389 14.6476 15.0309 15.0490 k = 0.3980-0.0000 0.2250 ( 4672 PWs) bands (ev): -11.6128 -11.6116 -11.4080 -11.4076 -11.2005 -11.1984 -10.7946 -10.7934 -10.6274 -10.6260 -10.2898 -10.2894 0.1479 0.1636 0.2445 0.2490 0.5612 0.5773 0.6753 0.7160 0.8230 0.8789 0.8837 0.9371 0.9566 0.9964 1.0987 1.1382 1.1697 1.1944 1.2636 1.3171 1.4116 1.4600 1.5087 1.5496 1.5705 1.6025 1.6233 1.7126 1.7431 1.8152 1.9130 1.9694 2.0476 2.0856 2.1548 2.2457 2.3039 2.3470 2.3711 2.4086 2.5985 2.6247 2.8275 2.8514 3.3220 3.3338 3.4759 3.4868 3.7941 3.8271 4.0923 4.1245 4.3989 4.4106 4.6094 4.6145 4.7185 4.7226 4.9227 4.9277 4.9559 4.9673 5.6084 5.6262 5.6519 5.6647 11.6068 11.6122 11.9227 11.9264 13.4814 13.4887 13.8191 13.8419 14.0159 14.0296 14.4176 14.4299 14.6302 14.6374 14.9820 15.0005 k = 0.4082-0.0000 0.2250 ( 4684 PWs) bands (ev): -11.5918 -11.5906 -11.3976 -11.3972 -11.2026 -11.2006 -10.8013 -10.8002 -10.6275 -10.6262 -10.2885 -10.2881 0.1431 0.1555 0.2363 0.2423 0.5429 0.5579 0.6751 0.7135 0.8261 0.8787 0.8891 0.9379 0.9614 1.0048 1.0982 1.1462 1.1651 1.2001 1.2642 1.3179 1.4250 1.4730 1.5193 1.5509 1.5728 1.6030 1.6270 1.7133 1.7465 1.8162 1.9065 1.9690 2.0429 2.0782 2.1280 2.2211 2.2991 2.3583 2.3755 2.4056 2.5916 2.6240 2.8586 2.8818 3.2913 3.3074 3.4764 3.4883 3.7689 3.8015 4.0834 4.1127 4.3864 4.3985 4.6016 4.6080 4.7122 4.7199 4.9046 4.9099 4.9503 4.9633 5.6039 5.6215 5.6434 5.6564 11.6861 11.6915 11.9827 11.9865 13.4608 13.4684 13.8015 13.8221 13.9673 13.9789 14.3897 14.4030 14.6282 14.6340 14.9360 14.9543 k = 0.4184-0.0000 0.2250 ( 4686 PWs) bands (ev): -11.5718 -11.5706 -11.3880 -11.3875 -11.2050 -11.2031 -10.8083 -10.8072 -10.6273 -10.6260 -10.2873 -10.2870 0.1389 0.1485 0.2283 0.2354 0.5265 0.5404 0.6753 0.7109 0.8294 0.8780 0.8940 0.9369 0.9678 1.0129 1.0960 1.1508 1.1646 1.2056 1.2651 1.3184 1.4370 1.4821 1.5285 1.5510 1.5806 1.5969 1.6400 1.7132 1.7518 1.8168 1.8979 1.9688 2.0375 2.0645 2.1091 2.1978 2.2912 2.3646 2.3809 2.3960 2.5980 2.6327 2.8909 2.9129 3.2559 3.2758 3.4808 3.4945 3.7407 3.7725 4.0781 4.1041 4.3769 4.3889 4.5941 4.6020 4.7013 4.7129 4.8894 4.8970 4.9464 4.9600 5.6001 5.6173 5.6357 5.6488 11.7628 11.7681 12.0403 12.0441 13.4357 13.4435 13.7822 13.7990 13.9266 13.9352 14.3584 14.3720 14.6304 14.6353 14.8941 14.9115 k = 0.4286-0.0000 0.2250 ( 4690 PWs) bands (ev): -11.5532 -11.5521 -11.3792 -11.3787 -11.2077 -11.2060 -10.8152 -10.8142 -10.6268 -10.6257 -10.2862 -10.2859 0.1355 0.1428 0.2205 0.2282 0.5120 0.5249 0.6758 0.7080 0.8327 0.8767 0.8982 0.9351 0.9750 1.0200 1.0934 1.1472 1.1724 1.2106 1.2662 1.3184 1.4461 1.4865 1.5360 1.5549 1.5854 1.5968 1.6549 1.7134 1.7584 1.8167 1.8876 1.9678 2.0304 2.0461 2.0986 2.1764 2.2810 2.3669 2.3814 2.3861 2.6163 2.6499 2.9235 2.9439 3.2175 3.2415 3.4879 3.5029 3.7103 3.7408 4.0750 4.0976 4.3712 4.3828 4.5868 4.5965 4.6856 4.7009 4.8789 4.8885 4.9436 4.9571 5.5967 5.6134 5.6288 5.6418 11.8356 11.8408 12.0953 12.0991 13.4056 13.4133 13.7600 13.7717 13.8969 13.9032 14.3248 14.3382 14.6353 14.6398 14.8567 14.8729 k = 0.4388-0.0000 0.2250 ( 4696 PWs) bands (ev): -11.5362 -11.5351 -11.3713 -11.3709 -11.2105 -11.2089 -10.8218 -10.8209 -10.6262 -10.6252 -10.2853 -10.2850 0.1331 0.1385 0.2128 0.2207 0.4999 0.5115 0.6765 0.7051 0.8362 0.8750 0.9019 0.9328 0.9826 1.0257 1.0911 1.1411 1.1825 1.2153 1.2677 1.3176 1.4513 1.4872 1.5419 1.5618 1.5847 1.6065 1.6699 1.7148 1.7660 1.8158 1.8761 1.9642 2.0170 2.0337 2.0923 2.1572 2.2702 2.3575 2.3746 2.3892 2.6432 2.6741 2.9546 2.9738 3.1775 3.2071 3.4959 3.5120 3.6793 3.7074 4.0730 4.0920 4.3702 4.3809 4.5797 4.5916 4.6658 4.6844 4.8730 4.8836 4.9415 4.9546 5.5940 5.6097 5.6228 5.6354 11.9032 11.9082 12.1475 12.1513 13.3706 13.3778 13.7350 13.7423 13.8777 13.8850 14.2902 14.3029 14.6419 14.6464 14.8242 14.8386 k = 0.4490-0.0000 0.2250 ( 4688 PWs) bands (ev): -11.5211 -11.5200 -11.3645 -11.3641 -11.2133 -11.2119 -10.8279 -10.8270 -10.6255 -10.6247 -10.2845 -10.2843 0.1317 0.1355 0.2054 0.2130 0.4901 0.5002 0.6777 0.7021 0.8397 0.8729 0.9052 0.9305 0.9901 1.0296 1.0900 1.1346 1.1928 1.2195 1.2695 1.3157 1.4528 1.4857 1.5471 1.5665 1.5893 1.6172 1.6844 1.7184 1.7741 1.8143 1.8635 1.9547 2.0032 2.0279 2.0874 2.1404 2.2604 2.3383 2.3761 2.3909 2.6759 2.7036 2.9801 3.0014 3.1381 3.1760 3.5033 3.5204 3.6496 3.6740 4.0711 4.0865 4.3740 4.3836 4.5727 4.5874 4.6435 4.6648 4.8708 4.8814 4.9402 4.9522 5.5920 5.6063 5.6181 5.6298 11.9639 11.9685 12.1967 12.2003 13.3318 13.3383 13.7100 13.7147 13.8681 13.8770 14.2558 14.2675 14.6495 14.6543 14.7962 14.8088 k = 0.4592-0.0000 0.2250 ( 4686 PWs) bands (ev): -11.5080 -11.5071 -11.3587 -11.3584 -11.2160 -11.2148 -10.8331 -10.8325 -10.6248 -10.6242 -10.2838 -10.2836 0.1311 0.1337 0.1986 0.2054 0.4826 0.4910 0.6791 0.6991 0.8433 0.8703 0.9082 0.9280 0.9973 1.0313 1.0903 1.1280 1.2025 1.2231 1.2717 1.3125 1.4525 1.4824 1.5522 1.5679 1.5991 1.6265 1.6980 1.7252 1.7813 1.8132 1.8501 1.9379 1.9965 2.0236 2.0835 2.1257 2.2531 2.3187 2.3783 2.3913 2.7123 2.7368 2.9929 3.0220 3.1048 3.1534 3.5082 3.5265 3.6238 3.6429 4.0690 4.0809 4.3822 4.3904 4.5654 4.5836 4.6202 4.6443 4.8709 4.8806 4.9395 4.9500 5.5906 5.6028 5.6146 5.6248 12.0160 12.0200 12.2422 12.2454 13.2917 13.2970 13.6880 13.6913 13.8660 13.8753 14.2232 14.2336 14.6579 14.6630 14.7723 14.7831 k = 0.4694-0.0000 0.2250 ( 4682 PWs) bands (ev): -11.4974 -11.4967 -11.3541 -11.3538 -11.2183 -11.2173 -10.8374 -10.8369 -10.6242 -10.6237 -10.2833 -10.2832 0.1313 0.1331 0.1926 0.1984 0.4772 0.4837 0.6808 0.6961 0.8469 0.8675 0.9110 0.9257 1.0041 1.0310 1.0921 1.1217 1.2112 1.2259 1.2745 1.3079 1.4522 1.4774 1.5570 1.5683 1.6101 1.6332 1.7108 1.7354 1.7843 1.8148 1.8369 1.9174 1.9953 2.0197 2.0809 2.1130 2.2491 2.3004 2.3806 2.3909 2.7511 2.7724 2.9868 3.0172 3.0962 3.1441 3.5090 3.5282 3.6048 3.6173 4.0667 4.0754 4.3936 4.4005 4.5575 4.5787 4.5994 4.6250 4.8724 4.8804 4.9395 4.9479 5.5898 5.5995 5.6125 5.6206 12.0579 12.0611 12.2826 12.2852 13.2537 13.2578 13.6706 13.6730 13.8687 13.8772 14.1944 14.2030 14.6670 14.6724 14.7520 14.7613 k = 0.4796-0.0000 0.2250 ( 4690 PWs) bands (ev): -11.4895 -11.4890 -11.3508 -11.3506 -11.2200 -11.2194 -10.8406 -10.8403 -10.6237 -10.6234 -10.2829 -10.2828 0.1320 0.1331 0.1881 0.1923 0.4738 0.4783 0.6828 0.6931 0.8505 0.8643 0.9136 0.9232 1.0104 1.0290 1.0953 1.1156 1.2184 1.2277 1.2783 1.3021 1.4532 1.4715 1.5611 1.5683 1.6200 1.6366 1.7236 1.7469 1.7816 1.8141 1.8316 1.8964 1.9969 2.0153 2.0802 2.1021 2.2489 2.2842 2.3829 2.3899 2.7906 2.8089 2.9644 2.9862 3.1115 3.1446 3.5064 3.5236 3.5939 3.6005 4.0648 4.0704 4.4063 4.4116 4.5493 4.5666 4.5891 4.6092 4.8745 4.8801 4.9399 4.9459 5.5898 5.5964 5.6116 5.6172 12.0884 12.0907 12.3153 12.3171 13.2221 13.2248 13.6583 13.6599 13.8739 13.8804 14.1716 14.1780 14.6765 14.6820 14.7351 14.7429 k = 0.4898-0.0000 0.2250 ( 4694 PWs) bands (ev): -11.4847 -11.4844 -11.3488 -11.3487 -11.2211 -11.2208 -10.8425 -10.8424 -10.6234 -10.6232 -10.2827 -10.2826 0.1327 0.1333 0.1855 0.1878 0.4723 0.4746 0.6850 0.6902 0.8541 0.8610 0.9161 0.9209 1.0162 1.0256 1.0995 1.1098 1.2236 1.2281 1.2831 1.2956 1.4558 1.4655 1.5644 1.5678 1.6281 1.6367 1.7366 1.7539 1.7797 1.8019 1.8424 1.8765 2.0005 2.0104 2.0820 2.0931 2.2526 2.2705 2.3849 2.3885 2.8284 2.8421 2.9363 2.9505 3.1293 3.1458 3.5042 3.5144 3.5897 3.5924 4.0638 4.0666 4.4175 4.4206 4.5430 4.5516 4.5882 4.5980 4.8765 4.8795 4.9409 4.9440 5.5905 5.5938 5.6117 5.6145 12.1072 12.1083 12.3371 12.3380 13.2011 13.2025 13.6512 13.6520 13.8792 13.8827 14.1574 14.1608 14.6862 14.6908 14.7223 14.7280 k = 0.5000-0.0000 0.2250 ( 4692 PWs) bands (ev): -11.4829 -11.4829 -11.3480 -11.3480 -11.2214 -11.2214 -10.8431 -10.8431 -10.6233 -10.6233 -10.2826 -10.2826 0.1332 0.1332 0.1854 0.1854 0.4726 0.4726 0.6875 0.6875 0.8576 0.8576 0.9185 0.9185 1.0213 1.0213 1.1044 1.1044 1.2268 1.2268 1.2891 1.2891 1.4601 1.4601 1.5666 1.5666 1.6338 1.6338 1.7485 1.7485 1.7883 1.7883 1.8583 1.8583 2.0052 2.0052 2.0864 2.0864 2.2599 2.2599 2.3868 2.3868 2.8541 2.8541 2.9254 2.9254 3.1414 3.1414 3.5066 3.5066 3.5895 3.5895 4.0644 4.0644 4.4231 4.4231 4.5428 4.5428 4.5912 4.5912 4.8783 4.8783 4.9423 4.9423 5.5918 5.5918 5.6127 5.6127 12.1138 12.1138 12.3450 12.3450 13.1941 13.1941 13.6491 13.6491 13.8825 13.8825 14.1536 14.1536 14.6933 14.6933 14.7188 14.7188 Writing output data file Al2Zn3O6.save init_run : 1.21s CPU 0.74s WALL ( 1 calls) electrons : 488.93s CPU 390.66s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.12s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 488.93s CPU 390.65s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.34s CPU 0.20s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.57s CPU 0.59s WALL ( 302 calls) cegterg : 422.96s CPU 348.71s WALL ( 410 calls) Called by sum_band: Called by *egterg: h_psi : 242.65s CPU 162.67s WALL ( 6538 calls) s_psi : 24.66s CPU 18.02s WALL ( 6538 calls) g_psi : 0.41s CPU 0.41s WALL ( 5826 calls) cdiaghg : 158.43s CPU 151.60s WALL ( 6128 calls) cegterg:over : 20.72s CPU 18.29s WALL ( 5826 calls) cegterg:upda : 15.62s CPU 14.14s WALL ( 5826 calls) cegterg:last : 7.08s CPU 7.08s WALL ( 1014 calls) cdiaghg:chol : 9.34s CPU 9.16s WALL ( 6128 calls) cdiaghg:inve : 6.76s CPU 6.59s WALL ( 6128 calls) cdiaghg:para : 12.54s CPU 12.16s WALL ( 12256 calls) Called by h_psi: h_psi:vloc : 189.17s CPU 123.19s WALL ( 6538 calls) h_psi:vnl : 52.87s CPU 39.01s WALL ( 6538 calls) add_vuspsi : 29.73s CPU 21.37s WALL ( 6538 calls) General routines calbec : 23.10s CPU 17.61s WALL ( 6538 calls) fft : 0.04s CPU 0.02s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 178.65s CPU 115.12s WALL ( 1290492 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.36s CPU 5.21s WALL ( 604 calls) Parallel routines fft_scatter : 71.08s CPU 53.20s WALL ( 1290515 calls) PWSCF : 8m37.56s CPU 7m13.29s WALL This run was terminated on: 5:21: 0 11Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=