Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:47:51 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: ./FeCu2SnSe4.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Cu.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 89 68 19 2296 1535 232 Max 90 69 20 2299 1560 235 Sum 3223 2475 701 82701 55667 8401 bravais-lattice index = 14 lattice parameter (alat) = 13.1055 a.u. unit-cell volume = 1240.1692 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 4 number of electrons = 68.00 number of Kohn-Sham states= 82 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.105459 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.661216 celldm(5)= -0.661216 celldm(6)= 0.322433 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.322433 0.946592 0.000000 ) a(3) = ( -0.661216 -0.473296 0.582051 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.340625 0.859031 ) b(2) = ( 0.000000 1.056421 0.859031 ) b(3) = ( 0.000000 0.000000 1.718062 ) PseudoPot. # 1 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 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. # 4 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 Sn 14.00 118.71000 Sn( 1.00) Fe 8.00 55.84500 Fe( 1.00) Se 6.00 78.96000 Se( 1.00) Cu 11.00 63.54600 Cu( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E s 2 inv. 180 deg rotation - cart. axis [0,0,1] -s -2 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 270 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 2) = ( 0.0000000 0.0000000 0.0220264), wk = 0.0037037 k( 3) = ( 0.0000000 0.0000000 0.0440529), wk = 0.0037037 k( 4) = ( 0.0000000 0.0000000 0.0660793), wk = 0.0037037 k( 5) = ( 0.0000000 0.0000000 0.0881057), wk = 0.0037037 k( 6) = ( 0.0000000 0.0000000 0.1101322), wk = 0.0037037 k( 7) = ( 0.0000000 0.0000000 0.1321586), wk = 0.0037037 k( 8) = ( 0.0000000 0.0000000 0.1541850), wk = 0.0037037 k( 9) = ( 0.0000000 0.0000000 0.1762115), wk = 0.0037037 k( 10) = ( 0.0000000 0.0000000 0.1982379), wk = 0.0037037 k( 11) = ( 0.0000000 0.0000000 0.2202643), wk = 0.0037037 k( 12) = ( 0.0000000 0.0000000 0.2422908), wk = 0.0037037 k( 13) = ( 0.0000000 0.0000000 0.2643172), wk = 0.0037037 k( 14) = ( 0.0000000 0.0000000 0.2863436), wk = 0.0037037 k( 15) = ( 0.0000000 0.0000000 0.3083701), wk = 0.0037037 k( 16) = ( 0.0000000 0.0000000 0.3303965), wk = 0.0037037 k( 17) = ( 0.0000000 0.0000000 0.3524229), wk = 0.0037037 k( 18) = ( 0.0000000 0.0000000 0.3744494), wk = 0.0037037 k( 19) = ( 0.0000000 0.0000000 0.3964758), wk = 0.0037037 k( 20) = ( 0.0000000 0.0000000 0.4185022), wk = 0.0037037 k( 21) = ( 0.0000000 0.0000000 0.4405287), wk = 0.0037037 k( 22) = ( 0.0000000 0.0000000 0.4625551), wk = 0.0037037 k( 23) = ( 0.0000000 0.0000000 0.4845815), wk = 0.0037037 k( 24) = ( 0.0000000 0.0000000 0.5066080), wk = 0.0037037 k( 25) = ( 0.0000000 0.0000000 0.5286344), wk = 0.0037037 k( 26) = ( 0.0000000 0.0000000 0.5506608), wk = 0.0037037 k( 27) = ( 0.0000000 0.0000000 0.5726873), wk = 0.0037037 k( 28) = ( 0.0000000 0.0000000 0.5947137), wk = 0.0037037 k( 29) = ( 0.0000000 0.0000000 0.6167401), wk = 0.0037037 k( 30) = ( 0.0000000 0.0000000 0.6387666), wk = 0.0037037 k( 31) = ( 0.0000000 0.0000000 0.6607930), wk = 0.0037037 k( 32) = ( 0.0000000 0.0000000 0.6828194), wk = 0.0037037 k( 33) = ( 0.0000000 0.0000000 0.7048459), wk = 0.0037037 k( 34) = ( 0.0000000 0.0000000 0.7268723), wk = 0.0037037 k( 35) = ( 0.0000000 0.0000000 0.7488987), wk = 0.0037037 k( 36) = ( 0.0000000 0.0000000 0.7709252), wk = 0.0037037 k( 37) = ( 0.0000000 0.0000000 0.7929516), wk = 0.0037037 k( 38) = ( 0.0000000 0.0000000 0.8149780), wk = 0.0037037 k( 39) = ( 0.0000000 0.0000000 0.8370045), wk = 0.0037037 k( 40) = ( 0.0000000 0.0000000 0.8590309), wk = 0.0037037 k( 41) = ( 0.0000000 0.0000000 0.8590309), wk = 0.0037037 k( 42) = ( -0.0128091 0.0178949 0.8590309), wk = 0.0037037 k( 43) = ( -0.0256182 0.0357898 0.8590309), wk = 0.0037037 k( 44) = ( -0.0384273 0.0536847 0.8590309), wk = 0.0037037 k( 45) = ( -0.0512364 0.0715796 0.8590309), wk = 0.0037037 k( 46) = ( -0.0640455 0.0894745 0.8590309), wk = 0.0037037 k( 47) = ( -0.0768546 0.1073694 0.8590309), wk = 0.0037037 k( 48) = ( -0.0896638 0.1252643 0.8590309), wk = 0.0037037 k( 49) = ( -0.1024729 0.1431592 0.8590309), wk = 0.0037037 k( 50) = ( -0.1152820 0.1610542 0.8590309), wk = 0.0037037 k( 51) = ( -0.1280911 0.1789491 0.8590309), wk = 0.0037037 k( 52) = ( -0.1280911 0.1789491 0.8590309), wk = 0.0037037 k( 53) = ( -0.1369460 0.1913199 0.8438175), wk = 0.0037037 k( 54) = ( -0.1458010 0.2036907 0.8286041), wk = 0.0037037 k( 55) = ( -0.1546560 0.2160615 0.8133907), wk = 0.0037037 k( 56) = ( -0.1635110 0.2284323 0.7981773), wk = 0.0037037 k( 57) = ( -0.1723659 0.2408031 0.7829639), wk = 0.0037037 k( 58) = ( -0.1812209 0.2531739 0.7677505), wk = 0.0037037 k( 59) = ( -0.1900759 0.2655447 0.7525372), wk = 0.0037037 k( 60) = ( -0.1989309 0.2779155 0.7373238), wk = 0.0037037 k( 61) = ( -0.2077858 0.2902863 0.7221104), wk = 0.0037037 k( 62) = ( -0.2166408 0.3026571 0.7068970), wk = 0.0037037 k( 63) = ( -0.2254958 0.3150279 0.6916836), wk = 0.0037037 k( 64) = ( -0.2343508 0.3273987 0.6764702), wk = 0.0037037 k( 65) = ( -0.2432057 0.3397695 0.6612568), wk = 0.0037037 k( 66) = ( -0.2520607 0.3521403 0.6460434), wk = 0.0037037 k( 67) = ( -0.2609157 0.3645111 0.6308300), wk = 0.0037037 k( 68) = ( -0.2697707 0.3768819 0.6156166), wk = 0.0037037 k( 69) = ( -0.2786256 0.3892527 0.6004032), wk = 0.0037037 k( 70) = ( -0.2874806 0.4016235 0.5851898), wk = 0.0037037 k( 71) = ( -0.2963356 0.4139943 0.5699764), wk = 0.0037037 k( 72) = ( -0.3051906 0.4263651 0.5547630), wk = 0.0037037 k( 73) = ( -0.3140455 0.4387359 0.5395496), wk = 0.0037037 k( 74) = ( -0.3140455 0.4387359 0.5395496), wk = 0.0037037 k( 75) = ( -0.3050728 0.4262006 0.5241339), wk = 0.0037037 k( 76) = ( -0.2961001 0.4136653 0.5087182), wk = 0.0037037 k( 77) = ( -0.2871273 0.4011300 0.4933025), wk = 0.0037037 k( 78) = ( -0.2781546 0.3885947 0.4778868), wk = 0.0037037 k( 79) = ( -0.2691819 0.3760594 0.4624711), wk = 0.0037037 k( 80) = ( -0.2602092 0.3635241 0.4470554), wk = 0.0037037 k( 81) = ( -0.2512364 0.3509888 0.4316397), wk = 0.0037037 k( 82) = ( -0.2422637 0.3384534 0.4162240), wk = 0.0037037 k( 83) = ( -0.2332910 0.3259181 0.4008083), wk = 0.0037037 k( 84) = ( -0.2243182 0.3133828 0.3853926), wk = 0.0037037 k( 85) = ( -0.2153455 0.3008475 0.3699769), wk = 0.0037037 k( 86) = ( -0.2063728 0.2883122 0.3545612), wk = 0.0037037 k( 87) = ( -0.1974000 0.2757769 0.3391455), wk = 0.0037037 k( 88) = ( -0.1884273 0.2632416 0.3237298), wk = 0.0037037 k( 89) = ( -0.1794546 0.2507062 0.3083141), wk = 0.0037037 k( 90) = ( -0.1704819 0.2381709 0.2928984), wk = 0.0037037 k( 91) = ( -0.1615091 0.2256356 0.2774827), wk = 0.0037037 k( 92) = ( -0.1525364 0.2131003 0.2620670), wk = 0.0037037 k( 93) = ( -0.1435637 0.2005650 0.2466513), wk = 0.0037037 k( 94) = ( -0.1345909 0.1880297 0.2312356), wk = 0.0037037 k( 95) = ( -0.1256182 0.1754944 0.2158199), wk = 0.0037037 k( 96) = ( -0.1166455 0.1629591 0.2004041), wk = 0.0037037 k( 97) = ( -0.1076727 0.1504237 0.1849884), wk = 0.0037037 k( 98) = ( -0.0987000 0.1378884 0.1695727), wk = 0.0037037 k( 99) = ( -0.0897273 0.1253531 0.1541570), wk = 0.0037037 k( 100) = ( -0.0807546 0.1128178 0.1387413), wk = 0.0037037 k( 101) = ( -0.0717818 0.1002825 0.1233256), wk = 0.0037037 k( 102) = ( -0.0628091 0.0877472 0.1079099), wk = 0.0037037 k( 103) = ( -0.0538364 0.0752119 0.0924942), wk = 0.0037037 k( 104) = ( -0.0448636 0.0626766 0.0770785), wk = 0.0037037 k( 105) = ( -0.0358909 0.0501413 0.0616628), wk = 0.0037037 k( 106) = ( -0.0269182 0.0376059 0.0462471), wk = 0.0037037 k( 107) = ( -0.0179455 0.0250706 0.0308314), wk = 0.0037037 k( 108) = ( -0.0089727 0.0125353 0.0154157), wk = 0.0037037 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 111) = ( 0.0178571 0.0127821 0.0000000), wk = 0.0037037 k( 112) = ( 0.0357143 0.0255642 0.0000000), wk = 0.0037037 k( 113) = ( 0.0535714 0.0383462 0.0000000), wk = 0.0037037 k( 114) = ( 0.0714286 0.0511283 0.0000000), wk = 0.0037037 k( 115) = ( 0.0892857 0.0639104 0.0000000), wk = 0.0037037 k( 116) = ( 0.1071429 0.0766925 0.0000000), wk = 0.0037037 k( 117) = ( 0.1250000 0.0894745 0.0000000), wk = 0.0037037 k( 118) = ( 0.1428571 0.1022566 0.0000000), wk = 0.0037037 k( 119) = ( 0.1607143 0.1150387 0.0000000), wk = 0.0037037 k( 120) = ( 0.1785714 0.1278208 0.0000000), wk = 0.0037037 k( 121) = ( 0.1964286 0.1406028 0.0000000), wk = 0.0037037 k( 122) = ( 0.2142857 0.1533849 0.0000000), wk = 0.0037037 k( 123) = ( 0.2321429 0.1661670 0.0000000), wk = 0.0037037 k( 124) = ( 0.2500000 0.1789491 0.0000000), wk = 0.0037037 k( 125) = ( 0.2678571 0.1917311 0.0000000), wk = 0.0037037 k( 126) = ( 0.2857143 0.2045132 0.0000000), wk = 0.0037037 k( 127) = ( 0.3035714 0.2172953 0.0000000), wk = 0.0037037 k( 128) = ( 0.3214286 0.2300774 0.0000000), wk = 0.0037037 k( 129) = ( 0.3392857 0.2428594 0.0000000), wk = 0.0037037 k( 130) = ( 0.3571429 0.2556415 0.0000000), wk = 0.0037037 k( 131) = ( 0.3750000 0.2684236 0.0000000), wk = 0.0037037 k( 132) = ( 0.3928571 0.2812057 0.0000000), wk = 0.0037037 k( 133) = ( 0.4107143 0.2939877 0.0000000), wk = 0.0037037 k( 134) = ( 0.4285714 0.3067698 0.0000000), wk = 0.0037037 k( 135) = ( 0.4464286 0.3195519 0.0000000), wk = 0.0037037 k( 136) = ( 0.4642857 0.3323340 0.0000000), wk = 0.0037037 k( 137) = ( 0.4821429 0.3451160 0.0000000), wk = 0.0037037 k( 138) = ( 0.5000000 0.3578981 0.0000000), wk = 0.0037037 k( 139) = ( 0.5000000 0.3578981 0.0000000), wk = 0.0037037 k( 140) = ( 0.4911450 0.3702689 0.0152134), wk = 0.0037037 k( 141) = ( 0.4822901 0.3826397 0.0304268), wk = 0.0037037 k( 142) = ( 0.4734351 0.3950105 0.0456402), wk = 0.0037037 k( 143) = ( 0.4645801 0.4073813 0.0608536), wk = 0.0037037 k( 144) = ( 0.4557251 0.4197521 0.0760670), wk = 0.0037037 k( 145) = ( 0.4468702 0.4321229 0.0912804), wk = 0.0037037 k( 146) = ( 0.4380152 0.4444937 0.1064938), wk = 0.0037037 k( 147) = ( 0.4291602 0.4568646 0.1217072), wk = 0.0037037 k( 148) = ( 0.4203052 0.4692354 0.1369205), wk = 0.0037037 k( 149) = ( 0.4114503 0.4816062 0.1521339), wk = 0.0037037 k( 150) = ( 0.4025953 0.4939770 0.1673473), wk = 0.0037037 k( 151) = ( 0.3937403 0.5063478 0.1825607), wk = 0.0037037 k( 152) = ( 0.3848853 0.5187186 0.1977741), wk = 0.0037037 k( 153) = ( 0.3760304 0.5310894 0.2129875), wk = 0.0037037 k( 154) = ( 0.3671754 0.5434602 0.2282009), wk = 0.0037037 k( 155) = ( 0.3583204 0.5558310 0.2434143), wk = 0.0037037 k( 156) = ( 0.3494654 0.5682018 0.2586277), wk = 0.0037037 k( 157) = ( 0.3406105 0.5805726 0.2738411), wk = 0.0037037 k( 158) = ( 0.3317555 0.5929434 0.2890545), wk = 0.0037037 k( 159) = ( 0.3229005 0.6053142 0.3042679), wk = 0.0037037 k( 160) = ( 0.3140455 0.6176850 0.3194813), wk = 0.0037037 k( 161) = ( 0.3140455 0.6176850 0.3194813), wk = 0.0037037 k( 162) = ( 0.2944177 0.6120928 0.3263584), wk = 0.0037037 k( 163) = ( 0.2747898 0.6065007 0.3332355), wk = 0.0037037 k( 164) = ( 0.2551620 0.6009085 0.3401127), wk = 0.0037037 k( 165) = ( 0.2355341 0.5953164 0.3469898), wk = 0.0037037 k( 166) = ( 0.2159063 0.5897242 0.3538670), wk = 0.0037037 k( 167) = ( 0.1962785 0.5841320 0.3607441), wk = 0.0037037 k( 168) = ( 0.1766506 0.5785399 0.3676212), wk = 0.0037037 k( 169) = ( 0.1570228 0.5729477 0.3744984), wk = 0.0037037 k( 170) = ( 0.1373949 0.5673556 0.3813755), wk = 0.0037037 k( 171) = ( 0.1177671 0.5617634 0.3882526), wk = 0.0037037 k( 172) = ( 0.0981392 0.5561713 0.3951298), wk = 0.0037037 k( 173) = ( 0.0785114 0.5505791 0.4020069), wk = 0.0037037 k( 174) = ( 0.0588835 0.5449869 0.4088840), wk = 0.0037037 k( 175) = ( 0.0392557 0.5393948 0.4157612), wk = 0.0037037 k( 176) = ( 0.0196278 0.5338026 0.4226383), wk = 0.0037037 k( 177) = ( 0.0000000 0.5282105 0.4295155), wk = 0.0037037 k( 178) = ( 0.0000000 0.5282105 0.4295155), wk = 0.0037037 k( 179) = ( 0.0089286 0.5157368 0.4448553), wk = 0.0037037 k( 180) = ( 0.0178571 0.5032632 0.4601951), wk = 0.0037037 k( 181) = ( 0.0267857 0.4907896 0.4755350), wk = 0.0037037 k( 182) = ( 0.0357143 0.4783160 0.4908748), wk = 0.0037037 k( 183) = ( 0.0446429 0.4658424 0.5062146), wk = 0.0037037 k( 184) = ( 0.0535714 0.4533687 0.5215545), wk = 0.0037037 k( 185) = ( 0.0625000 0.4408951 0.5368943), wk = 0.0037037 k( 186) = ( 0.0714286 0.4284215 0.5522342), wk = 0.0037037 k( 187) = ( 0.0803571 0.4159479 0.5675740), wk = 0.0037037 k( 188) = ( 0.0892857 0.4034743 0.5829138), wk = 0.0037037 k( 189) = ( 0.0982143 0.3910006 0.5982537), wk = 0.0037037 k( 190) = ( 0.1071429 0.3785270 0.6135935), wk = 0.0037037 k( 191) = ( 0.1160714 0.3660534 0.6289333), wk = 0.0037037 k( 192) = ( 0.1250000 0.3535798 0.6442732), wk = 0.0037037 k( 193) = ( 0.1339286 0.3411061 0.6596130), wk = 0.0037037 k( 194) = ( 0.1428571 0.3286325 0.6749529), wk = 0.0037037 k( 195) = ( 0.1517857 0.3161589 0.6902927), wk = 0.0037037 k( 196) = ( 0.1607143 0.3036853 0.7056325), wk = 0.0037037 k( 197) = ( 0.1696429 0.2912117 0.7209724), wk = 0.0037037 k( 198) = ( 0.1785714 0.2787380 0.7363122), wk = 0.0037037 k( 199) = ( 0.1875000 0.2662644 0.7516520), wk = 0.0037037 k( 200) = ( 0.1964286 0.2537908 0.7669919), wk = 0.0037037 k( 201) = ( 0.2053571 0.2413172 0.7823317), wk = 0.0037037 k( 202) = ( 0.2142857 0.2288436 0.7976716), wk = 0.0037037 k( 203) = ( 0.2232143 0.2163699 0.8130114), wk = 0.0037037 k( 204) = ( 0.2321429 0.2038963 0.8283512), wk = 0.0037037 k( 205) = ( 0.2410714 0.1914227 0.8436911), wk = 0.0037037 k( 206) = ( 0.2500000 0.1789491 0.8590309), wk = 0.0037037 k( 207) = ( 0.2500000 0.1789491 0.8590309), wk = 0.0037037 k( 208) = ( 0.2638889 0.1888907 0.8468049), wk = 0.0037037 k( 209) = ( 0.2777778 0.1988323 0.8345789), wk = 0.0037037 k( 210) = ( 0.2916667 0.2087739 0.8223529), wk = 0.0037037 k( 211) = ( 0.3055556 0.2187155 0.8101268), wk = 0.0037037 k( 212) = ( 0.3194444 0.2286571 0.7979008), wk = 0.0037037 k( 213) = ( 0.3333333 0.2385987 0.7856748), wk = 0.0037037 k( 214) = ( 0.3472222 0.2485404 0.7734488), wk = 0.0037037 k( 215) = ( 0.3611111 0.2584820 0.7612228), wk = 0.0037037 k( 216) = ( 0.3750000 0.2684236 0.7489967), wk = 0.0037037 k( 217) = ( 0.3888889 0.2783652 0.7367707), wk = 0.0037037 k( 218) = ( 0.4027778 0.2883068 0.7245447), wk = 0.0037037 k( 219) = ( 0.4166667 0.2982484 0.7123187), wk = 0.0037037 k( 220) = ( 0.4305556 0.3081901 0.7000927), wk = 0.0037037 k( 221) = ( 0.4444444 0.3181317 0.6878666), wk = 0.0037037 k( 222) = ( 0.4583333 0.3280733 0.6756406), wk = 0.0037037 k( 223) = ( 0.4722222 0.3380149 0.6634146), wk = 0.0037037 k( 224) = ( 0.4861111 0.3479565 0.6511886), wk = 0.0037037 k( 225) = ( 0.5000000 0.3578981 0.6389625), wk = 0.0037037 k( 226) = ( 0.5000000 0.3578981 0.6389625), wk = 0.0037037 k( 227) = ( 0.5000000 0.3578981 0.6169294), wk = 0.0037037 k( 228) = ( 0.5000000 0.3578981 0.5948962), wk = 0.0037037 k( 229) = ( 0.5000000 0.3578981 0.5728630), wk = 0.0037037 k( 230) = ( 0.5000000 0.3578981 0.5508298), wk = 0.0037037 k( 231) = ( 0.5000000 0.3578981 0.5287966), wk = 0.0037037 k( 232) = ( 0.5000000 0.3578981 0.5067634), wk = 0.0037037 k( 233) = ( 0.5000000 0.3578981 0.4847302), wk = 0.0037037 k( 234) = ( 0.5000000 0.3578981 0.4626970), wk = 0.0037037 k( 235) = ( 0.5000000 0.3578981 0.4406638), wk = 0.0037037 k( 236) = ( 0.5000000 0.3578981 0.4186306), wk = 0.0037037 k( 237) = ( 0.5000000 0.3578981 0.3965974), wk = 0.0037037 k( 238) = ( 0.5000000 0.3578981 0.3745642), wk = 0.0037037 k( 239) = ( 0.5000000 0.3578981 0.3525311), wk = 0.0037037 k( 240) = ( 0.5000000 0.3578981 0.3304979), wk = 0.0037037 k( 241) = ( 0.5000000 0.3578981 0.3084647), wk = 0.0037037 k( 242) = ( 0.5000000 0.3578981 0.2864315), wk = 0.0037037 k( 243) = ( 0.5000000 0.3578981 0.2643983), wk = 0.0037037 k( 244) = ( 0.5000000 0.3578981 0.2423651), wk = 0.0037037 k( 245) = ( 0.5000000 0.3578981 0.2203319), wk = 0.0037037 k( 246) = ( 0.5000000 0.3578981 0.1982987), wk = 0.0037037 k( 247) = ( 0.5000000 0.3578981 0.1762655), wk = 0.0037037 k( 248) = ( 0.5000000 0.3578981 0.1542323), wk = 0.0037037 k( 249) = ( 0.5000000 0.3578981 0.1321992), wk = 0.0037037 k( 250) = ( 0.5000000 0.3578981 0.1101660), wk = 0.0037037 k( 251) = ( 0.5000000 0.3578981 0.0881328), wk = 0.0037037 k( 252) = ( 0.5000000 0.3578981 0.0660996), wk = 0.0037037 k( 253) = ( 0.5000000 0.3578981 0.0440664), wk = 0.0037037 k( 254) = ( 0.5000000 0.3578981 0.0220332), wk = 0.0037037 k( 255) = ( 0.5000000 0.3578981 0.0000000), wk = 0.0037037 k( 256) = ( 0.0000000 0.0000000 0.8590309), wk = 0.0037037 k( 257) = ( 0.0178571 0.0127821 0.8590309), wk = 0.0037037 k( 258) = ( 0.0357143 0.0255642 0.8590309), wk = 0.0037037 k( 259) = ( 0.0535714 0.0383462 0.8590309), wk = 0.0037037 k( 260) = ( 0.0714286 0.0511283 0.8590309), wk = 0.0037037 k( 261) = ( 0.0892857 0.0639104 0.8590309), wk = 0.0037037 k( 262) = ( 0.1071429 0.0766925 0.8590309), wk = 0.0037037 k( 263) = ( 0.1250000 0.0894745 0.8590309), wk = 0.0037037 k( 264) = ( 0.1428571 0.1022566 0.8590309), wk = 0.0037037 k( 265) = ( 0.1607143 0.1150387 0.8590309), wk = 0.0037037 k( 266) = ( 0.1785714 0.1278208 0.8590309), wk = 0.0037037 k( 267) = ( 0.1964286 0.1406028 0.8590309), wk = 0.0037037 k( 268) = ( 0.2142857 0.1533849 0.8590309), wk = 0.0037037 k( 269) = ( 0.2321429 0.1661670 0.8590309), wk = 0.0037037 k( 270) = ( 0.2500000 0.1789491 0.8590309), wk = 0.0037037 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 2) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0037037 k( 3) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0037037 k( 4) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0037037 k( 5) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0037037 k( 6) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0037037 k( 7) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0037037 k( 8) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0037037 k( 9) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0037037 k( 10) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0037037 k( 11) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0037037 k( 12) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0037037 k( 13) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0037037 k( 14) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0037037 k( 15) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0037037 k( 16) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0037037 k( 17) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0037037 k( 18) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0037037 k( 19) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0037037 k( 20) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0037037 k( 21) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0037037 k( 22) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0037037 k( 23) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0037037 k( 24) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0037037 k( 25) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0037037 k( 26) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0037037 k( 27) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0037037 k( 28) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0037037 k( 29) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0037037 k( 30) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0037037 k( 31) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0037037 k( 32) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0037037 k( 33) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0037037 k( 34) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0037037 k( 35) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0037037 k( 36) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0037037 k( 37) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0037037 k( 38) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0037037 k( 39) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0037037 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 42) = ( -0.0128091 0.0128091 0.5000000), wk = 0.0037037 k( 43) = ( -0.0256182 0.0256182 0.5000000), wk = 0.0037037 k( 44) = ( -0.0384273 0.0384273 0.5000000), wk = 0.0037037 k( 45) = ( -0.0512364 0.0512364 0.5000000), wk = 0.0037037 k( 46) = ( -0.0640455 0.0640455 0.5000000), wk = 0.0037037 k( 47) = ( -0.0768546 0.0768546 0.5000000), wk = 0.0037037 k( 48) = ( -0.0896638 0.0896638 0.5000000), wk = 0.0037037 k( 49) = ( -0.1024729 0.1024729 0.5000000), wk = 0.0037037 k( 50) = ( -0.1152820 0.1152820 0.5000000), wk = 0.0037037 k( 51) = ( -0.1280911 0.1280911 0.5000000), wk = 0.0037037 k( 52) = ( -0.1280911 0.1280911 0.5000000), wk = 0.0037037 k( 53) = ( -0.1369460 0.1369460 0.4911450), wk = 0.0037037 k( 54) = ( -0.1458010 0.1458010 0.4822901), wk = 0.0037037 k( 55) = ( -0.1546560 0.1546560 0.4734351), wk = 0.0037037 k( 56) = ( -0.1635110 0.1635110 0.4645801), wk = 0.0037037 k( 57) = ( -0.1723659 0.1723659 0.4557251), wk = 0.0037037 k( 58) = ( -0.1812209 0.1812209 0.4468702), wk = 0.0037037 k( 59) = ( -0.1900759 0.1900759 0.4380152), wk = 0.0037037 k( 60) = ( -0.1989309 0.1989309 0.4291602), wk = 0.0037037 k( 61) = ( -0.2077858 0.2077858 0.4203052), wk = 0.0037037 k( 62) = ( -0.2166408 0.2166408 0.4114503), wk = 0.0037037 k( 63) = ( -0.2254958 0.2254958 0.4025953), wk = 0.0037037 k( 64) = ( -0.2343508 0.2343508 0.3937403), wk = 0.0037037 k( 65) = ( -0.2432057 0.2432057 0.3848853), wk = 0.0037037 k( 66) = ( -0.2520607 0.2520607 0.3760304), wk = 0.0037037 k( 67) = ( -0.2609157 0.2609157 0.3671754), wk = 0.0037037 k( 68) = ( -0.2697707 0.2697707 0.3583204), wk = 0.0037037 k( 69) = ( -0.2786256 0.2786256 0.3494654), wk = 0.0037037 k( 70) = ( -0.2874806 0.2874806 0.3406105), wk = 0.0037037 k( 71) = ( -0.2963356 0.2963356 0.3317555), wk = 0.0037037 k( 72) = ( -0.3051906 0.3051906 0.3229005), wk = 0.0037037 k( 73) = ( -0.3140455 0.3140455 0.3140455), wk = 0.0037037 k( 74) = ( -0.3140455 0.3140455 0.3140455), wk = 0.0037037 k( 75) = ( -0.3050728 0.3050728 0.3050728), wk = 0.0037037 k( 76) = ( -0.2961001 0.2961001 0.2961001), wk = 0.0037037 k( 77) = ( -0.2871273 0.2871273 0.2871273), wk = 0.0037037 k( 78) = ( -0.2781546 0.2781546 0.2781546), wk = 0.0037037 k( 79) = ( -0.2691819 0.2691819 0.2691819), wk = 0.0037037 k( 80) = ( -0.2602092 0.2602092 0.2602092), wk = 0.0037037 k( 81) = ( -0.2512364 0.2512364 0.2512364), wk = 0.0037037 k( 82) = ( -0.2422637 0.2422637 0.2422637), wk = 0.0037037 k( 83) = ( -0.2332910 0.2332910 0.2332910), wk = 0.0037037 k( 84) = ( -0.2243182 0.2243182 0.2243182), wk = 0.0037037 k( 85) = ( -0.2153455 0.2153455 0.2153455), wk = 0.0037037 k( 86) = ( -0.2063728 0.2063728 0.2063728), wk = 0.0037037 k( 87) = ( -0.1974000 0.1974000 0.1974000), wk = 0.0037037 k( 88) = ( -0.1884273 0.1884273 0.1884273), wk = 0.0037037 k( 89) = ( -0.1794546 0.1794546 0.1794546), wk = 0.0037037 k( 90) = ( -0.1704819 0.1704819 0.1704819), wk = 0.0037037 k( 91) = ( -0.1615091 0.1615091 0.1615091), wk = 0.0037037 k( 92) = ( -0.1525364 0.1525364 0.1525364), wk = 0.0037037 k( 93) = ( -0.1435637 0.1435637 0.1435637), wk = 0.0037037 k( 94) = ( -0.1345909 0.1345909 0.1345909), wk = 0.0037037 k( 95) = ( -0.1256182 0.1256182 0.1256182), wk = 0.0037037 k( 96) = ( -0.1166455 0.1166455 0.1166455), wk = 0.0037037 k( 97) = ( -0.1076727 0.1076727 0.1076727), wk = 0.0037037 k( 98) = ( -0.0987000 0.0987000 0.0987000), wk = 0.0037037 k( 99) = ( -0.0897273 0.0897273 0.0897273), wk = 0.0037037 k( 100) = ( -0.0807546 0.0807546 0.0807546), wk = 0.0037037 k( 101) = ( -0.0717818 0.0717818 0.0717818), wk = 0.0037037 k( 102) = ( -0.0628091 0.0628091 0.0628091), wk = 0.0037037 k( 103) = ( -0.0538364 0.0538364 0.0538364), wk = 0.0037037 k( 104) = ( -0.0448636 0.0448636 0.0448636), wk = 0.0037037 k( 105) = ( -0.0358909 0.0358909 0.0358909), wk = 0.0037037 k( 106) = ( -0.0269182 0.0269182 0.0269182), wk = 0.0037037 k( 107) = ( -0.0179455 0.0179455 0.0179455), wk = 0.0037037 k( 108) = ( -0.0089727 0.0089727 0.0089727), wk = 0.0037037 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 111) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0037037 k( 112) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0037037 k( 113) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0037037 k( 114) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0037037 k( 115) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0037037 k( 116) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0037037 k( 117) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0037037 k( 118) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0037037 k( 119) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0037037 k( 120) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0037037 k( 121) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0037037 k( 122) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0037037 k( 123) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0037037 k( 124) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0037037 k( 125) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0037037 k( 126) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0037037 k( 127) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0037037 k( 128) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0037037 k( 129) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0037037 k( 130) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0037037 k( 131) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0037037 k( 132) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0037037 k( 133) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0037037 k( 134) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0037037 k( 135) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0037037 k( 136) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0037037 k( 137) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0037037 k( 138) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037037 k( 139) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037037 k( 140) = ( 0.4911450 0.5088550 -0.4911450), wk = 0.0037037 k( 141) = ( 0.4822901 0.5177100 -0.4822900), wk = 0.0037037 k( 142) = ( 0.4734351 0.5265649 -0.4734351), wk = 0.0037037 k( 143) = ( 0.4645801 0.5354199 -0.4645801), wk = 0.0037037 k( 144) = ( 0.4557251 0.5442749 -0.4557251), wk = 0.0037037 k( 145) = ( 0.4468702 0.5531299 -0.4468702), wk = 0.0037037 k( 146) = ( 0.4380152 0.5619848 -0.4380152), wk = 0.0037037 k( 147) = ( 0.4291602 0.5708398 -0.4291602), wk = 0.0037037 k( 148) = ( 0.4203052 0.5796948 -0.4203052), wk = 0.0037037 k( 149) = ( 0.4114503 0.5885498 -0.4114503), wk = 0.0037037 k( 150) = ( 0.4025953 0.5974047 -0.4025953), wk = 0.0037037 k( 151) = ( 0.3937403 0.6062597 -0.3937403), wk = 0.0037037 k( 152) = ( 0.3848853 0.6151147 -0.3848853), wk = 0.0037037 k( 153) = ( 0.3760304 0.6239696 -0.3760304), wk = 0.0037037 k( 154) = ( 0.3671754 0.6328246 -0.3671754), wk = 0.0037037 k( 155) = ( 0.3583204 0.6416796 -0.3583204), wk = 0.0037037 k( 156) = ( 0.3494654 0.6505346 -0.3494654), wk = 0.0037037 k( 157) = ( 0.3406105 0.6593895 -0.3406105), wk = 0.0037037 k( 158) = ( 0.3317555 0.6682445 -0.3317555), wk = 0.0037037 k( 159) = ( 0.3229005 0.6770995 -0.3229005), wk = 0.0037037 k( 160) = ( 0.3140455 0.6859545 -0.3140455), wk = 0.0037037 k( 161) = ( 0.3140455 0.6859545 -0.3140455), wk = 0.0037037 k( 162) = ( 0.2944177 0.6743323 -0.2944177), wk = 0.0037037 k( 163) = ( 0.2747898 0.6627102 -0.2747898), wk = 0.0037037 k( 164) = ( 0.2551620 0.6510880 -0.2551620), wk = 0.0037037 k( 165) = ( 0.2355341 0.6394659 -0.2355341), wk = 0.0037037 k( 166) = ( 0.2159063 0.6278437 -0.2159063), wk = 0.0037037 k( 167) = ( 0.1962785 0.6162215 -0.1962785), wk = 0.0037037 k( 168) = ( 0.1766506 0.6045994 -0.1766506), wk = 0.0037037 k( 169) = ( 0.1570228 0.5929772 -0.1570228), wk = 0.0037037 k( 170) = ( 0.1373949 0.5813551 -0.1373949), wk = 0.0037037 k( 171) = ( 0.1177671 0.5697329 -0.1177671), wk = 0.0037037 k( 172) = ( 0.0981392 0.5581108 -0.0981392), wk = 0.0037037 k( 173) = ( 0.0785114 0.5464886 -0.0785114), wk = 0.0037037 k( 174) = ( 0.0588835 0.5348665 -0.0588835), wk = 0.0037037 k( 175) = ( 0.0392557 0.5232443 -0.0392557), wk = 0.0037037 k( 176) = ( 0.0196278 0.5116221 -0.0196279), wk = 0.0037037 k( 177) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037037 k( 178) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037037 k( 179) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0037037 k( 180) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0037037 k( 181) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0037037 k( 182) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0037037 k( 183) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0037037 k( 184) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0037037 k( 185) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0037037 k( 186) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0037037 k( 187) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0037037 k( 188) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0037037 k( 189) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0037037 k( 190) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0037037 k( 191) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0037037 k( 192) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0037037 k( 193) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0037037 k( 194) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0037037 k( 195) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0037037 k( 196) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0037037 k( 197) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0037037 k( 198) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0037037 k( 199) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0037037 k( 200) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0037037 k( 201) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0037037 k( 202) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0037037 k( 203) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0037037 k( 204) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0037037 k( 205) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0037037 k( 206) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037037 k( 207) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037037 k( 208) = ( 0.2638889 0.2638889 0.2289949), wk = 0.0037037 k( 209) = ( 0.2777778 0.2777778 0.2079899), wk = 0.0037037 k( 210) = ( 0.2916667 0.2916667 0.1869848), wk = 0.0037037 k( 211) = ( 0.3055556 0.3055556 0.1659798), wk = 0.0037037 k( 212) = ( 0.3194444 0.3194444 0.1449747), wk = 0.0037037 k( 213) = ( 0.3333333 0.3333333 0.1239696), wk = 0.0037037 k( 214) = ( 0.3472222 0.3472222 0.1029646), wk = 0.0037037 k( 215) = ( 0.3611111 0.3611111 0.0819595), wk = 0.0037037 k( 216) = ( 0.3750000 0.3750000 0.0609545), wk = 0.0037037 k( 217) = ( 0.3888889 0.3888889 0.0399494), wk = 0.0037037 k( 218) = ( 0.4027778 0.4027778 0.0189443), wk = 0.0037037 k( 219) = ( 0.4166667 0.4166667 -0.0020607), wk = 0.0037037 k( 220) = ( 0.4305556 0.4305556 -0.0230658), wk = 0.0037037 k( 221) = ( 0.4444444 0.4444444 -0.0440708), wk = 0.0037037 k( 222) = ( 0.4583333 0.4583333 -0.0650759), wk = 0.0037037 k( 223) = ( 0.4722222 0.4722222 -0.0860810), wk = 0.0037037 k( 224) = ( 0.4861111 0.4861111 -0.1070860), wk = 0.0037037 k( 225) = ( 0.5000000 0.5000000 -0.1280911), wk = 0.0037037 k( 226) = ( 0.5000000 0.5000000 -0.1280911), wk = 0.0037037 k( 227) = ( 0.5000000 0.5000000 -0.1409155), wk = 0.0037037 k( 228) = ( 0.5000000 0.5000000 -0.1537400), wk = 0.0037037 k( 229) = ( 0.5000000 0.5000000 -0.1665644), wk = 0.0037037 k( 230) = ( 0.5000000 0.5000000 -0.1793888), wk = 0.0037037 k( 231) = ( 0.5000000 0.5000000 -0.1922133), wk = 0.0037037 k( 232) = ( 0.5000000 0.5000000 -0.2050377), wk = 0.0037037 k( 233) = ( 0.5000000 0.5000000 -0.2178622), wk = 0.0037037 k( 234) = ( 0.5000000 0.5000000 -0.2306866), wk = 0.0037037 k( 235) = ( 0.5000000 0.5000000 -0.2435111), wk = 0.0037037 k( 236) = ( 0.5000000 0.5000000 -0.2563355), wk = 0.0037037 k( 237) = ( 0.5000000 0.5000000 -0.2691600), wk = 0.0037037 k( 238) = ( 0.5000000 0.5000000 -0.2819844), wk = 0.0037037 k( 239) = ( 0.5000000 0.5000000 -0.2948089), wk = 0.0037037 k( 240) = ( 0.5000000 0.5000000 -0.3076333), wk = 0.0037037 k( 241) = ( 0.5000000 0.5000000 -0.3204578), wk = 0.0037037 k( 242) = ( 0.5000000 0.5000000 -0.3332822), wk = 0.0037037 k( 243) = ( 0.5000000 0.5000000 -0.3461066), wk = 0.0037037 k( 244) = ( 0.5000000 0.5000000 -0.3589311), wk = 0.0037037 k( 245) = ( 0.5000000 0.5000000 -0.3717555), wk = 0.0037037 k( 246) = ( 0.5000000 0.5000000 -0.3845800), wk = 0.0037037 k( 247) = ( 0.5000000 0.5000000 -0.3974044), wk = 0.0037037 k( 248) = ( 0.5000000 0.5000000 -0.4102289), wk = 0.0037037 k( 249) = ( 0.5000000 0.5000000 -0.4230533), wk = 0.0037037 k( 250) = ( 0.5000000 0.5000000 -0.4358778), wk = 0.0037037 k( 251) = ( 0.5000000 0.5000000 -0.4487022), wk = 0.0037037 k( 252) = ( 0.5000000 0.5000000 -0.4615267), wk = 0.0037037 k( 253) = ( 0.5000000 0.5000000 -0.4743511), wk = 0.0037037 k( 254) = ( 0.5000000 0.5000000 -0.4871755), wk = 0.0037037 k( 255) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037037 k( 256) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 257) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0037037 k( 258) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0037037 k( 259) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0037037 k( 260) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0037037 k( 261) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0037037 k( 262) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0037037 k( 263) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0037037 k( 264) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0037037 k( 265) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0037037 k( 266) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0037037 k( 267) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0037037 k( 268) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0037037 k( 269) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0037037 k( 270) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037037 Dense grid: 82701 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 55667 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.49 Mb ( 394, 82) NL pseudopotentials 0.58 Mb ( 197, 192) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2298) G-vector shells 0.01 Mb ( 1023) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.97 Mb ( 394, 328) Each subspace H/S matrix 0.10 Mb ( 82, 82) Each matrix 0.48 Mb ( 192, 2, 82) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./FeCu2SnSe4.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.1 secs Computing kpt #: 2 total cpu time spent up to now is 6.4 secs Computing kpt #: 3 total cpu time spent up to now is 7.6 secs Computing kpt #: 4 total cpu time spent up to now is 8.8 secs Computing kpt #: 5 total cpu time spent up to now is 10.0 secs Computing kpt #: 6 total cpu time spent up to now is 11.2 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 13.6 secs Computing kpt #: 9 total cpu time spent up to now is 14.9 secs Computing kpt #: 10 total cpu time spent up to now is 16.2 secs Computing kpt #: 11 total cpu time spent up to now is 17.4 secs Computing kpt #: 12 total cpu time spent up to now is 18.6 secs Computing kpt #: 13 total cpu time spent up to now is 19.9 secs Computing kpt #: 14 total cpu time spent up to now is 21.1 secs Computing kpt #: 15 total cpu time spent up to now is 22.4 secs Computing kpt #: 16 total cpu time spent up to now is 23.6 secs Computing kpt #: 17 total cpu time spent up to now is 24.8 secs Computing kpt #: 18 total cpu time spent up to now is 26.0 secs Computing kpt #: 19 total cpu time spent up to now is 27.2 secs Computing kpt #: 20 total cpu time spent up to now is 28.5 secs Computing kpt #: 21 total cpu time spent up to now is 29.7 secs Computing kpt #: 22 total cpu time spent up to now is 31.0 secs Computing kpt #: 23 total cpu time spent up to now is 32.2 secs Computing kpt #: 24 total cpu time spent up to now is 33.5 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 37.3 secs Computing kpt #: 28 total cpu time spent up to now is 38.5 secs Computing kpt #: 29 total cpu time spent up to now is 39.8 secs Computing kpt #: 30 total cpu time spent up to now is 41.1 secs Computing kpt #: 31 total cpu time spent up to now is 42.3 secs Computing kpt #: 32 total cpu time spent up to now is 43.5 secs Computing kpt #: 33 total cpu time spent up to now is 44.8 secs Computing kpt #: 34 total cpu time spent up to now is 46.0 secs Computing kpt #: 35 total cpu time spent up to now is 47.3 secs Computing kpt #: 36 total cpu time spent up to now is 48.6 secs Computing kpt #: 37 total cpu time spent up to now is 49.8 secs Computing kpt #: 38 total cpu time spent up to now is 51.1 secs Computing kpt #: 39 total cpu time spent up to now is 52.3 secs Computing kpt #: 40 total cpu time spent up to now is 53.6 secs Computing kpt #: 41 total cpu time spent up to now is 54.8 secs Computing kpt #: 42 total cpu time spent up to now is 56.1 secs Computing kpt #: 43 total cpu time spent up to now is 57.4 secs Computing kpt #: 44 total cpu time spent up to now is 58.7 secs Computing kpt #: 45 total cpu time spent up to now is 60.0 secs Computing kpt #: 46 total cpu time spent up to now is 61.3 secs Computing kpt #: 47 total cpu time spent up to now is 62.9 secs Computing kpt #: 48 total cpu time spent up to now is 64.4 secs Computing kpt #: 49 total cpu time spent up to now is 65.9 secs Computing kpt #: 50 total cpu time spent up to now is 67.3 secs Computing kpt #: 51 total cpu time spent up to now is 68.6 secs Computing kpt #: 52 total cpu time spent up to now is 69.9 secs Computing kpt #: 53 total cpu time spent up to now is 71.1 secs Computing kpt #: 54 total cpu time spent up to now is 72.4 secs Computing kpt #: 55 total cpu time spent up to now is 73.7 secs Computing kpt #: 56 total cpu time spent up to now is 74.9 secs Computing kpt #: 57 total cpu time spent up to now is 76.2 secs Computing kpt #: 58 total cpu time spent up to now is 77.5 secs Computing kpt #: 59 total cpu time spent up to now is 78.7 secs Computing kpt #: 60 total cpu time spent up to now is 79.9 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 82.5 secs Computing kpt #: 63 total cpu time spent up to now is 83.8 secs Computing kpt #: 64 total cpu time spent up to now is 85.1 secs Computing kpt #: 65 total cpu time spent up to now is 86.6 secs Computing kpt #: 66 total cpu time spent up to now is 88.3 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 92.5 secs Computing kpt #: 70 total cpu time spent up to now is 94.0 secs Computing kpt #: 71 total cpu time spent up to now is 95.5 secs Computing kpt #: 72 total cpu time spent up to now is 97.1 secs Computing kpt #: 73 total cpu time spent up to now is 98.7 secs Computing kpt #: 74 total cpu time spent up to now is 100.2 secs Computing kpt #: 75 total cpu time spent up to now is 101.7 secs Computing kpt #: 76 total cpu time spent up to now is 103.3 secs Computing kpt #: 77 total cpu time spent up to now is 104.8 secs Computing kpt #: 78 total cpu time spent up to now is 106.2 secs Computing kpt #: 79 total cpu time spent up to now is 107.5 secs Computing kpt #: 80 total cpu time spent up to now is 108.8 secs Computing kpt #: 81 total cpu time spent up to now is 110.1 secs Computing kpt #: 82 total cpu time spent up to now is 111.5 secs Computing kpt #: 83 total cpu time spent up to now is 112.8 secs Computing kpt #: 84 total cpu time spent up to now is 114.1 secs Computing kpt #: 85 total cpu time spent up to now is 115.5 secs Computing kpt #: 86 total cpu time spent up to now is 116.8 secs Computing kpt #: 87 total cpu time spent up to now is 118.1 secs Computing kpt #: 88 total cpu time spent up to now is 119.4 secs Computing kpt #: 89 total cpu time spent up to now is 120.7 secs Computing kpt #: 90 total cpu time spent up to now is 121.9 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 124.5 secs Computing kpt #: 93 total cpu time spent up to now is 125.7 secs Computing kpt #: 94 total cpu time spent up to now is 127.0 secs Computing kpt #: 95 total cpu time spent up to now is 128.3 secs Computing kpt #: 96 total cpu time spent up to now is 129.5 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 132.1 secs Computing kpt #: 99 total cpu time spent up to now is 133.3 secs Computing kpt #: 100 total cpu time spent up to now is 134.5 secs Computing kpt #: 101 total cpu time spent up to now is 135.7 secs Computing kpt #: 102 total cpu time spent up to now is 137.0 secs Computing kpt #: 103 total cpu time spent up to now is 138.2 secs Computing kpt #: 104 total cpu time spent up to now is 139.4 secs Computing kpt #: 105 total cpu time spent up to now is 140.7 secs Computing kpt #: 106 total cpu time spent up to now is 141.8 secs Computing kpt #: 107 total cpu time spent up to now is 143.1 secs Computing kpt #: 108 total cpu time spent up to now is 144.4 secs Computing kpt #: 109 total cpu time spent up to now is 145.6 secs Computing kpt #: 110 total cpu time spent up to now is 146.8 secs Computing kpt #: 111 total cpu time spent up to now is 148.0 secs Computing kpt #: 112 total cpu time spent up to now is 149.2 secs Computing kpt #: 113 total cpu time spent up to now is 150.4 secs Computing kpt #: 114 total cpu time spent up to now is 151.6 secs Computing kpt #: 115 total cpu time spent up to now is 152.8 secs Computing kpt #: 116 total cpu time spent up to now is 154.0 secs Computing kpt #: 117 total cpu time spent up to now is 155.3 secs Computing kpt #: 118 total cpu time spent up to now is 156.5 secs Computing kpt #: 119 total cpu time spent up to now is 157.7 secs Computing kpt #: 120 total cpu time spent up to now is 158.9 secs Computing kpt #: 121 total cpu time spent up to now is 160.2 secs Computing kpt #: 122 total cpu time spent up to now is 161.4 secs Computing kpt #: 123 total cpu time spent up to now is 162.7 secs Computing kpt #: 124 total cpu time spent up to now is 163.9 secs Computing kpt #: 125 total cpu time spent up to now is 165.1 secs Computing kpt #: 126 total cpu time spent up to now is 166.4 secs Computing kpt #: 127 total cpu time spent up to now is 167.6 secs Computing kpt #: 128 total cpu time spent up to now is 168.9 secs Computing kpt #: 129 total cpu time spent up to now is 170.2 secs Computing kpt #: 130 total cpu time spent up to now is 171.5 secs Computing kpt #: 131 total cpu time spent up to now is 172.8 secs Computing kpt #: 132 total cpu time spent up to now is 174.0 secs Computing kpt #: 133 total cpu time spent up to now is 175.3 secs Computing kpt #: 134 total cpu time spent up to now is 176.7 secs Computing kpt #: 135 total cpu time spent up to now is 178.0 secs Computing kpt #: 136 total cpu time spent up to now is 179.3 secs Computing kpt #: 137 total cpu time spent up to now is 180.7 secs Computing kpt #: 138 total cpu time spent up to now is 182.0 secs Computing kpt #: 139 total cpu time spent up to now is 183.3 secs Computing kpt #: 140 total cpu time spent up to now is 184.9 secs Computing kpt #: 141 total cpu time spent up to now is 186.4 secs Computing kpt #: 142 total cpu time spent up to now is 187.9 secs Computing kpt #: 143 total cpu time spent up to now is 189.5 secs Computing kpt #: 144 total cpu time spent up to now is 191.0 secs Computing kpt #: 145 total cpu time spent up to now is 192.5 secs Computing kpt #: 146 total cpu time spent up to now is 193.8 secs Computing kpt #: 147 total cpu time spent up to now is 195.2 secs Computing kpt #: 148 total cpu time spent up to now is 196.5 secs Computing kpt #: 149 total cpu time spent up to now is 198.1 secs Computing kpt #: 150 total cpu time spent up to now is 199.6 secs Computing kpt #: 151 total cpu time spent up to now is 201.1 secs Computing kpt #: 152 total cpu time spent up to now is 202.6 secs Computing kpt #: 153 total cpu time spent up to now is 204.1 secs Computing kpt #: 154 total cpu time spent up to now is 205.6 secs Computing kpt #: 155 total cpu time spent up to now is 207.1 secs Computing kpt #: 156 total cpu time spent up to now is 208.7 secs Computing kpt #: 157 total cpu time spent up to now is 210.2 secs Computing kpt #: 158 total cpu time spent up to now is 211.7 secs Computing kpt #: 159 total cpu time spent up to now is 213.3 secs Computing kpt #: 160 total cpu time spent up to now is 214.8 secs Computing kpt #: 161 total cpu time spent up to now is 216.3 secs Computing kpt #: 162 total cpu time spent up to now is 217.9 secs Computing kpt #: 163 total cpu time spent up to now is 219.4 secs Computing kpt #: 164 total cpu time spent up to now is 220.9 secs Computing kpt #: 165 total cpu time spent up to now is 222.4 secs Computing kpt #: 166 total cpu time spent up to now is 223.8 secs Computing kpt #: 167 total cpu time spent up to now is 225.2 secs Computing kpt #: 168 total cpu time spent up to now is 226.5 secs Computing kpt #: 169 total cpu time spent up to now is 227.8 secs Computing kpt #: 170 total cpu time spent up to now is 229.2 secs Computing kpt #: 171 total cpu time spent up to now is 230.5 secs Computing kpt #: 172 total cpu time spent up to now is 232.0 secs Computing kpt #: 173 total cpu time spent up to now is 233.5 secs Computing kpt #: 174 total cpu time spent up to now is 235.1 secs Computing kpt #: 175 total cpu time spent up to now is 236.6 secs Computing kpt #: 176 total cpu time spent up to now is 238.1 secs Computing kpt #: 177 total cpu time spent up to now is 239.7 secs Computing kpt #: 178 total cpu time spent up to now is 241.2 secs Computing kpt #: 179 total cpu time spent up to now is 242.8 secs Computing kpt #: 180 total cpu time spent up to now is 244.3 secs Computing kpt #: 181 total cpu time spent up to now is 245.8 secs Computing kpt #: 182 total cpu time spent up to now is 247.4 secs Computing kpt #: 183 total cpu time spent up to now is 249.0 secs Computing kpt #: 184 total cpu time spent up to now is 250.6 secs Computing kpt #: 185 total cpu time spent up to now is 252.1 secs Computing kpt #: 186 total cpu time spent up to now is 253.6 secs Computing kpt #: 187 total cpu time spent up to now is 255.2 secs Computing kpt #: 188 total cpu time spent up to now is 256.8 secs Computing kpt #: 189 total cpu time spent up to now is 258.3 secs Computing kpt #: 190 total cpu time spent up to now is 259.9 secs Computing kpt #: 191 total cpu time spent up to now is 261.5 secs Computing kpt #: 192 total cpu time spent up to now is 263.0 secs Computing kpt #: 193 total cpu time spent up to now is 264.6 secs Computing kpt #: 194 total cpu time spent up to now is 266.1 secs Computing kpt #: 195 total cpu time spent up to now is 267.7 secs Computing kpt #: 196 total cpu time spent up to now is 269.2 secs Computing kpt #: 197 total cpu time spent up to now is 270.7 secs Computing kpt #: 198 total cpu time spent up to now is 272.2 secs Computing kpt #: 199 total cpu time spent up to now is 273.8 secs Computing kpt #: 200 total cpu time spent up to now is 275.3 secs Computing kpt #: 201 total cpu time spent up to now is 276.9 secs Computing kpt #: 202 total cpu time spent up to now is 278.4 secs Computing kpt #: 203 total cpu time spent up to now is 279.9 secs Computing kpt #: 204 total cpu time spent up to now is 281.2 secs Computing kpt #: 205 total cpu time spent up to now is 282.6 secs Computing kpt #: 206 total cpu time spent up to now is 284.1 secs Computing kpt #: 207 total cpu time spent up to now is 285.6 secs Computing kpt #: 208 total cpu time spent up to now is 286.9 secs Computing kpt #: 209 total cpu time spent up to now is 288.2 secs Computing kpt #: 210 total cpu time spent up to now is 289.8 secs Computing kpt #: 211 total cpu time spent up to now is 291.1 secs Computing kpt #: 212 total cpu time spent up to now is 292.4 secs Computing kpt #: 213 total cpu time spent up to now is 293.7 secs Computing kpt #: 214 total cpu time spent up to now is 295.0 secs Computing kpt #: 215 total cpu time spent up to now is 296.4 secs Computing kpt #: 216 total cpu time spent up to now is 297.7 secs Computing kpt #: 217 total cpu time spent up to now is 299.2 secs Computing kpt #: 218 total cpu time spent up to now is 300.8 secs Computing kpt #: 219 total cpu time spent up to now is 302.3 secs Computing kpt #: 220 total cpu time spent up to now is 303.9 secs Computing kpt #: 221 total cpu time spent up to now is 305.4 secs Computing kpt #: 222 total cpu time spent up to now is 306.8 secs Computing kpt #: 223 total cpu time spent up to now is 308.1 secs Computing kpt #: 224 total cpu time spent up to now is 309.4 secs Computing kpt #: 225 total cpu time spent up to now is 310.7 secs Computing kpt #: 226 total cpu time spent up to now is 312.0 secs Computing kpt #: 227 total cpu time spent up to now is 313.2 secs Computing kpt #: 228 total cpu time spent up to now is 314.5 secs Computing kpt #: 229 total cpu time spent up to now is 315.7 secs Computing kpt #: 230 total cpu time spent up to now is 317.0 secs Computing kpt #: 231 total cpu time spent up to now is 318.2 secs Computing kpt #: 232 total cpu time spent up to now is 319.5 secs Computing kpt #: 233 total cpu time spent up to now is 320.8 secs Computing kpt #: 234 total cpu time spent up to now is 322.0 secs Computing kpt #: 235 total cpu time spent up to now is 323.3 secs Computing kpt #: 236 total cpu time spent up to now is 324.5 secs Computing kpt #: 237 total cpu time spent up to now is 325.8 secs Computing kpt #: 238 total cpu time spent up to now is 327.0 secs Computing kpt #: 239 total cpu time spent up to now is 328.3 secs Computing kpt #: 240 total cpu time spent up to now is 329.6 secs Computing kpt #: 241 total cpu time spent up to now is 330.9 secs Computing kpt #: 242 total cpu time spent up to now is 332.2 secs Computing kpt #: 243 total cpu time spent up to now is 333.5 secs Computing kpt #: 244 total cpu time spent up to now is 334.8 secs Computing kpt #: 245 total cpu time spent up to now is 336.1 secs Computing kpt #: 246 total cpu time spent up to now is 337.4 secs Computing kpt #: 247 total cpu time spent up to now is 338.8 secs Computing kpt #: 248 total cpu time spent up to now is 340.1 secs Computing kpt #: 249 total cpu time spent up to now is 341.4 secs Computing kpt #: 250 total cpu time spent up to now is 342.7 secs Computing kpt #: 251 total cpu time spent up to now is 344.0 secs Computing kpt #: 252 total cpu time spent up to now is 345.6 secs Computing kpt #: 253 total cpu time spent up to now is 347.0 secs Computing kpt #: 254 total cpu time spent up to now is 348.5 secs Computing kpt #: 255 total cpu time spent up to now is 350.0 secs Computing kpt #: 256 total cpu time spent up to now is 351.3 secs Computing kpt #: 257 total cpu time spent up to now is 352.5 secs Computing kpt #: 258 total cpu time spent up to now is 353.8 secs Computing kpt #: 259 total cpu time spent up to now is 355.1 secs Computing kpt #: 260 total cpu time spent up to now is 356.4 secs Computing kpt #: 261 total cpu time spent up to now is 357.7 secs Computing kpt #: 262 total cpu time spent up to now is 359.0 secs Computing kpt #: 263 total cpu time spent up to now is 360.3 secs Computing kpt #: 264 total cpu time spent up to now is 361.6 secs Computing kpt #: 265 total cpu time spent up to now is 362.9 secs Computing kpt #: 266 total cpu time spent up to now is 364.2 secs Computing kpt #: 267 total cpu time spent up to now is 365.6 secs Computing kpt #: 268 total cpu time spent up to now is 367.0 secs Computing kpt #: 269 total cpu time spent up to now is 368.3 secs Computing kpt #: 270 total cpu time spent up to now is 369.6 secs ethr = 1.47E-08, avg # of iterations = 18.7 total cpu time spent up to now is 369.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6979 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7481 -14.7481 -14.7459 -14.7459 -7.5402 -7.5402 -6.3099 -6.3099 -6.3009 -6.3009 -6.2934 -6.2934 -0.9952 -0.9952 1.8691 1.8691 1.8796 1.8796 1.9960 1.9960 2.6025 2.6025 2.7221 2.7221 2.7298 2.7298 3.2183 3.2183 3.2212 3.2212 3.3235 3.3235 3.5707 3.5707 3.5998 3.5998 4.5467 4.5467 4.6007 4.6007 4.6477 4.6477 4.6673 4.6673 4.8072 4.8072 4.8332 4.8332 4.9504 4.9504 5.5848 5.5848 5.8771 5.8771 5.9300 5.9300 5.9348 5.9348 6.7532 6.7532 7.2624 7.2624 7.6018 7.6018 7.7099 7.7099 7.7213 7.7213 8.9643 8.9643 9.9154 9.9154 10.5016 10.5016 10.7251 10.7251 k = 0.0000 0.0000 0.0220 ( 6987 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7482 -14.7481 -14.7459 -14.7459 -7.5395 -7.5395 -6.3105 -6.3104 -6.3014 -6.3014 -6.2936 -6.2933 -0.9947 -0.9947 1.8674 1.8696 1.8793 1.8800 1.9915 1.9982 2.5807 2.6215 2.7038 2.7222 2.7299 2.7556 3.2174 3.2177 3.2206 3.2217 3.3224 3.3247 3.5663 3.5715 3.5980 3.5989 4.5355 4.5579 4.6005 4.6013 4.6370 4.6567 4.6670 4.6720 4.7982 4.8158 4.8267 4.8437 4.9503 4.9523 5.5844 5.5849 5.8737 5.8790 5.9272 5.9291 5.9334 5.9385 6.7530 6.7542 7.2491 7.2597 7.6023 7.6066 7.7105 7.7138 7.7187 7.7266 8.9685 8.9691 9.9166 9.9197 10.4970 10.5050 10.7227 10.7258 k = 0.0000 0.0000 0.0441 ( 6979 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7482 -14.7481 -14.7459 -14.7459 -7.5372 -7.5372 -6.3122 -6.3120 -6.3030 -6.3029 -6.2937 -6.2931 -0.9932 -0.9931 1.8623 1.8683 1.8796 1.8833 1.9852 1.9978 2.5586 2.6355 2.6820 2.7255 2.7433 2.7834 3.2143 3.2152 3.2205 3.2230 3.3212 3.3259 3.5572 3.5694 3.5930 3.5966 4.5251 4.5685 4.6004 4.6026 4.6271 4.6622 4.6686 4.6829 4.7906 4.8224 4.8225 4.8592 4.9522 4.9560 5.5840 5.5850 5.8680 5.8794 5.9223 5.9247 5.9344 5.9440 6.7537 6.7562 7.2225 7.2421 7.6050 7.6144 7.7120 7.7141 7.7219 7.7455 8.9818 8.9829 9.9232 9.9296 10.4911 10.5072 10.7187 10.7247 k = 0.0000 0.0000 0.0661 ( 6979 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7482 -14.7481 -14.7459 -14.7459 -7.5335 -7.5335 -6.3151 -6.3146 -6.3055 -6.3053 -6.2939 -6.2929 -0.9906 -0.9905 1.8533 1.8627 1.8821 1.8900 1.9782 1.9946 2.5384 2.6429 2.6647 2.7309 2.7634 2.8119 3.2091 3.2104 3.2211 3.2249 3.3201 3.3272 3.5427 3.5637 3.5860 3.5939 4.5158 4.5776 4.6000 4.6045 4.6195 4.6678 4.6711 4.6960 4.7866 4.8199 4.8276 4.8788 4.9559 4.9615 5.5831 5.5848 5.8590 5.8769 5.9161 5.9191 5.9369 5.9515 6.7554 6.7589 7.1872 7.2137 7.6057 7.6191 7.7059 7.7075 7.7455 7.7757 9.0037 9.0055 9.9351 9.9449 10.4842 10.5084 10.7133 10.7218 k = 0.0000 0.0000 0.0881 ( 6981 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7482 -14.7481 -14.7459 -14.7459 -7.5284 -7.5284 -6.3193 -6.3185 -6.3089 -6.3085 -6.2940 -6.2927 -0.9871 -0.9869 1.8415 1.8534 1.8844 1.8994 1.9724 1.9883 2.5215 2.6394 2.6575 2.7367 2.7878 2.8407 3.2019 3.2035 3.2222 3.2275 3.3189 3.3284 3.5234 3.5532 3.5791 3.5913 4.5078 4.5847 4.5982 4.6069 4.6155 4.6739 4.6753 4.7078 4.7882 4.8188 4.8323 4.9017 4.9616 4.9687 5.5816 5.5841 5.8457 5.8696 5.9099 5.9139 5.9418 5.9616 6.7579 6.7625 7.1471 7.1788 7.6021 7.6178 7.6973 7.6992 7.7799 7.8139 9.0339 9.0364 9.9517 9.9654 10.4762 10.5089 10.7070 10.7175 k = 0.0000 0.0000 0.1101 ( 6981 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7482 -14.7481 -14.7459 -14.7459 -7.5218 -7.5218 -6.3247 -6.3236 -6.3129 -6.3124 -6.2942 -6.2924 -0.9827 -0.9826 1.8274 1.8414 1.8829 1.9100 1.9711 1.9797 2.5092 2.6300 2.6568 2.7415 2.8146 2.8693 3.1930 3.1947 3.2239 3.2309 3.3177 3.3294 3.5006 3.5381 3.5733 3.5885 4.5011 4.5902 4.5951 4.6096 4.6149 4.6770 4.6849 4.7158 4.7972 4.8194 4.8369 4.9268 4.9691 4.9780 5.5790 5.5826 5.8281 5.8566 5.9042 5.9101 5.9494 5.9741 6.7613 6.7669 7.1048 7.1405 7.5935 7.6101 7.6874 7.6900 7.8208 7.8568 9.0716 9.0749 9.9725 9.9907 10.4676 10.5090 10.7001 10.7118 k = 0.0000 0.0000 0.1322 ( 6973 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7482 -14.7481 -14.7459 -14.7459 -7.5137 -7.5137 -6.3315 -6.3299 -6.3176 -6.3169 -6.2944 -6.2922 -0.9776 -0.9775 1.8119 1.8273 1.8743 1.9178 1.9725 1.9773 2.5024 2.6230 2.6545 2.7435 2.8423 2.8974 3.1823 3.1838 3.2261 3.2349 3.3164 3.3299 3.4764 3.5203 3.5681 3.5856 4.4957 4.5922 4.5945 4.6125 4.6165 4.6801 4.6958 4.7195 4.8119 4.8238 4.8417 4.9523 4.9788 4.9907 5.5747 5.5798 5.8072 5.8391 5.8990 5.9073 5.9602 5.9891 6.7656 6.7720 7.0621 7.1012 7.5795 7.5963 7.6771 7.6810 7.8650 7.9021 9.1162 9.1203 9.9967 10.0199 10.4587 10.5092 10.6930 10.7052 k = 0.0000 0.0000 0.1542 ( 6977 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7482 -14.7481 -14.7459 -14.7459 -7.5043 -7.5043 -6.3395 -6.3375 -6.3229 -6.3220 -6.2947 -6.2921 -0.9719 -0.9718 1.7956 1.8116 1.8584 1.9138 1.9755 1.9912 2.5013 2.6200 2.6490 2.7413 2.8700 2.9247 3.1697 3.1708 3.2287 3.2396 3.3150 3.3292 3.4530 3.5016 3.5629 3.5824 4.4915 4.5905 4.5981 4.6156 4.6192 4.6833 4.7068 4.7206 4.8209 4.8414 4.8470 4.9737 4.9909 5.0105 5.5681 5.5752 5.7843 5.8188 5.8940 5.9045 5.9737 6.0064 6.7707 6.7778 7.0200 7.0619 7.5597 7.5766 7.6671 7.6725 7.9103 7.9483 9.1668 9.1714 10.0231 10.0521 10.4502 10.5104 10.6861 10.6981 k = 0.0000 0.0000 0.1762 ( 6979 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7482 -14.7481 -14.7459 -14.7459 -7.4934 -7.4934 -6.3486 -6.3463 -6.3287 -6.3277 -6.2950 -6.2920 -0.9658 -0.9657 1.7791 1.7948 1.8373 1.8957 1.9909 2.0108 2.5060 2.6207 2.6398 2.7337 2.8972 2.9509 3.1549 3.1555 3.2318 3.2450 3.3135 3.3265 3.4334 3.4840 3.5578 3.5789 4.4885 4.5902 4.6016 4.6192 4.6225 4.6865 4.7142 4.7237 4.8272 4.8531 4.8670 4.9890 5.0060 5.0397 5.5584 5.5683 5.7610 5.7973 5.8891 5.9016 5.9898 6.0257 6.7767 6.7842 6.9794 7.0236 7.5344 7.5515 7.6577 7.6647 7.9552 7.9940 9.2222 9.2274 10.0503 10.0857 10.4428 10.5133 10.6800 10.6911 k = 0.0000 0.0000 0.1982 ( 6973 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7482 -14.7481 -14.7459 -14.7459 -7.4812 -7.4812 -6.3587 -6.3561 -6.3351 -6.3339 -6.2955 -6.2921 -0.9594 -0.9593 1.7629 1.7770 1.8129 1.8697 2.0130 2.0348 2.5161 2.6182 2.6333 2.7199 2.9233 2.9757 3.1373 3.1376 3.2351 3.2511 3.3120 3.3214 3.4202 3.4689 3.5526 3.5752 4.4865 4.5914 4.6050 4.6233 4.6260 4.6897 4.7144 4.7330 4.8351 4.8604 4.8940 5.0009 5.0252 5.0748 5.5446 5.5585 5.7388 5.7757 5.8840 5.8982 6.0082 6.0468 6.7834 6.7909 6.9409 6.9869 7.5042 7.5217 7.6488 7.6573 7.9987 8.0386 9.2815 9.2870 10.0764 10.1188 10.4376 10.5188 10.6753 10.6847 k = 0.0000 0.0000 0.2203 ( 6969 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7925 -14.7924 -14.7482 -14.7481 -14.7459 -14.7459 -7.4677 -7.4677 -6.3697 -6.3669 -6.3420 -6.3407 -6.2961 -6.2923 -0.9531 -0.9527 1.7476 1.7578 1.7873 1.8392 2.0386 2.0620 2.5309 2.6004 2.6413 2.6998 2.9481 2.9989 3.1164 3.1174 3.2387 3.2575 3.3106 3.3145 3.4144 3.4572 3.5473 3.5713 4.4855 4.5940 4.6085 4.6282 4.6296 4.6929 4.7126 4.7429 4.8455 4.8690 4.9199 5.0116 5.0496 5.1135 5.5264 5.5455 5.7188 5.7552 5.8789 5.8945 6.0287 6.0694 6.7907 6.7977 6.9050 6.9520 7.4700 7.4880 7.6403 7.6500 8.0403 8.0814 9.3437 9.3492 10.0997 10.1488 10.4355 10.5272 10.6729 10.6799 k = 0.0000 0.0000 0.2423 ( 6955 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7925 -14.7924 -14.7481 -14.7481 -14.7459 -14.7459 -7.4530 -7.4529 -6.3815 -6.3785 -6.3493 -6.3479 -6.2970 -6.2927 -0.9468 -0.9463 1.7334 1.7348 1.7640 1.8059 2.0664 2.0917 2.5494 2.5754 2.6554 2.6741 2.9706 3.0191 3.0931 3.0954 3.2423 3.2640 3.3079 3.3095 3.4150 3.4496 3.5419 3.5672 4.4852 4.5979 4.6120 4.6328 4.6338 4.6964 4.7104 4.7519 4.8587 4.8794 4.9432 5.0219 5.0800 5.1547 5.5039 5.5292 5.7013 5.7363 5.8735 5.8905 6.0509 6.0933 6.7986 6.8032 6.8731 6.9194 7.4325 7.4512 7.6318 7.6427 8.0794 8.1219 9.4078 9.4130 10.1185 10.1733 10.4368 10.5373 10.6740 10.6787 k = 0.0000 0.0000 0.2643 ( 6957 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7925 -14.7925 -14.7481 -14.7480 -14.7459 -14.7459 -7.4369 -7.4368 -6.3940 -6.3908 -6.3571 -6.3556 -6.2980 -6.2934 -0.9408 -0.9401 1.7066 1.7202 1.7456 1.7712 2.0953 2.1228 2.5457 2.5694 2.6454 2.6733 2.9889 3.0306 3.0738 3.0743 3.2458 3.2699 3.3031 3.3087 3.4205 3.4460 3.5367 3.5631 4.4857 4.6028 4.6156 4.6355 4.6400 4.6999 4.7081 4.7596 4.8747 4.8917 4.9635 5.0319 5.1161 5.1979 5.4775 5.5100 5.6861 5.7190 5.8681 5.8861 6.0747 6.1181 6.8030 6.8066 6.8496 6.8893 7.3927 7.4120 7.6233 7.6351 8.1157 8.1599 9.4728 9.4773 10.1322 10.1907 10.4404 10.5461 10.6798 10.6838 k = 0.0000 0.0000 0.2863 ( 6955 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7925 -14.7925 -14.7481 -14.7480 -14.7459 -14.7459 -7.4197 -7.4196 -6.4071 -6.4037 -6.3652 -6.3637 -6.2994 -6.2945 -0.9353 -0.9343 1.6745 1.7062 1.7312 1.7381 2.1241 2.1546 2.5124 2.5793 2.6262 2.6946 2.9962 3.0164 3.0613 3.0763 3.2490 3.2746 3.3010 3.3084 3.4295 3.4461 3.5315 3.5590 4.4869 4.6087 4.6193 4.6373 4.6468 4.7037 4.7059 4.7658 4.8935 4.9063 4.9816 5.0419 5.1569 5.2426 5.4485 5.4884 5.6725 5.7029 5.8625 5.8814 6.0997 6.1436 6.7889 6.8138 6.8430 6.8630 7.3515 7.3712 7.6146 7.6273 8.1489 8.1949 9.5379 9.5412 10.1410 10.2013 10.4435 10.5495 10.6914 10.6977 k = 0.0000 0.0000 0.3084 ( 6965 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7925 -14.7925 -14.7481 -14.7480 -14.7459 -14.7459 -7.4014 -7.4013 -6.4206 -6.4171 -6.3737 -6.3721 -6.3011 -6.2959 -0.9304 -0.9292 1.6406 1.6828 1.7158 1.7198 2.1512 2.1855 2.4772 2.5565 2.6404 2.7186 2.9848 2.9873 3.0653 3.0911 3.2517 3.2779 3.3013 3.3084 3.4412 3.4492 3.5265 3.5549 4.4887 4.6153 4.6230 4.6381 4.6541 4.7038 4.7077 4.7707 4.9145 4.9234 4.9985 5.0521 5.2013 5.2886 5.4180 5.4652 5.6595 5.6876 5.8568 5.8764 6.1256 6.1693 6.7662 6.8146 6.8457 6.8478 7.3097 7.3295 7.6057 7.6191 8.1787 8.2266 9.6024 9.6037 10.1461 10.2067 10.4432 10.5452 10.7087 10.7203 k = 0.0000 0.0000 0.3304 ( 6965 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7459 -7.3820 -7.3818 -6.4345 -6.4308 -6.3824 -6.3809 -6.3032 -6.2977 -0.9263 -0.9248 1.6057 1.6485 1.7067 1.7108 2.1743 2.2133 2.4422 2.5230 2.6682 2.7449 2.9559 2.9629 3.0796 3.1075 3.2537 3.2799 3.3032 3.3086 3.4546 3.4548 3.5218 3.5510 4.4910 4.6224 4.6267 4.6378 4.6618 4.7021 4.7120 4.7743 4.9369 4.9429 5.0157 5.0627 5.2483 5.3354 5.3869 5.4415 5.6464 5.6722 5.8512 5.8713 6.1522 6.1951 6.7428 6.8006 6.8460 6.8562 7.2682 7.2879 7.5965 7.6106 8.2049 8.2550 9.6638 9.6654 10.1493 10.2091 10.4376 10.5336 10.7300 10.7486 k = 0.0000 0.0000 0.3524 ( 6969 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7459 -7.3616 -7.3614 -6.4486 -6.4448 -6.3914 -6.3898 -6.3058 -6.2999 -0.9231 -0.9212 1.5704 1.6112 1.7031 1.7040 2.1900 2.2340 2.4112 2.4914 2.6994 2.7731 2.9258 2.9396 3.0964 3.1235 3.2550 3.2812 3.3055 3.3089 3.4621 3.4693 3.5175 3.5472 4.4938 4.6296 4.6303 4.6367 4.6696 4.7011 4.7164 4.7767 4.9596 4.9646 5.0346 5.0741 5.2967 5.3562 5.3823 5.4180 5.6325 5.6563 5.8456 5.8661 6.1792 6.2205 6.7208 6.7814 6.8542 6.8659 7.2280 7.2473 7.5871 7.6018 8.2273 8.2796 9.7204 9.7262 10.1526 10.2105 10.4260 10.5159 10.7528 10.7790 k = 0.0000 0.0000 0.3744 ( 6965 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7459 -7.3403 -7.3400 -6.4628 -6.4590 -6.4005 -6.3989 -6.3088 -6.3028 -0.9208 -0.9186 1.5352 1.5734 1.6990 1.7029 2.1946 2.2416 2.3895 2.4664 2.7320 2.8026 2.8998 2.9194 3.1136 3.1387 3.2553 3.2819 3.3077 3.3092 3.4704 3.4847 3.5138 3.5437 4.4970 4.6325 4.6338 4.6390 4.6767 4.7013 4.7211 4.7780 4.9809 4.9880 5.0569 5.0870 5.3245 5.3479 5.3927 5.4319 5.6172 5.6392 5.8403 5.8610 6.2061 6.2451 6.7012 6.7631 6.8642 6.8761 7.1900 7.2083 7.5775 7.5927 8.2456 8.3003 9.7716 9.7837 10.1586 10.2128 10.4090 10.4928 10.7748 10.8086 k = 0.0000 0.0000 0.3965 ( 6969 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7459 -7.3182 -7.3178 -6.4771 -6.4732 -6.4097 -6.4081 -6.3125 -6.3062 -0.9195 -0.9171 1.5003 1.5359 1.6956 1.7053 2.1858 2.2319 2.3804 2.4495 2.7647 2.8332 2.8807 2.9053 3.1303 3.1530 3.2544 3.2820 3.3094 3.3096 3.4788 3.5002 3.5112 3.5404 4.5006 4.6292 4.6369 4.6465 4.6820 4.7039 4.7262 4.7781 4.9994 5.0118 5.0839 5.1025 5.2964 5.3703 5.3972 5.4790 5.6003 5.6208 5.8354 5.8560 6.2325 6.2685 6.6842 6.7469 6.8748 6.8866 7.1550 7.1719 7.5677 7.5834 8.2596 8.3167 9.8155 9.8367 10.1701 10.2174 10.3872 10.4645 10.7941 10.8359 k = 0.0000 0.0000 0.4185 ( 6969 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7926 -14.7481 -14.7480 -14.7459 -14.7459 -7.2953 -7.2948 -6.4912 -6.4873 -6.4189 -6.4174 -6.3167 -6.3102 -0.9193 -0.9166 1.4660 1.4991 1.6933 1.7098 2.1649 2.2094 2.3784 2.4380 2.7960 2.8643 2.8723 2.8997 3.1463 3.1664 3.2524 3.2814 3.3099 3.3107 3.4860 3.5106 3.5155 3.5374 4.5045 4.6246 4.6396 4.6544 4.6848 4.7096 4.7316 4.7773 5.0151 5.0340 5.1158 5.1223 5.2691 5.3483 5.4470 5.5257 5.5814 5.6010 5.8311 5.8514 6.2581 6.2903 6.6702 6.7333 6.8854 6.8972 7.1237 7.1389 7.5579 7.5739 8.2692 8.3286 9.8502 9.8836 10.1895 10.2247 10.3627 10.4313 10.8101 10.8600 k = 0.0000 0.0000 0.4405 ( 6967 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7927 -14.7926 -14.7481 -14.7480 -14.7459 -14.7459 -7.2717 -7.2712 -6.5051 -6.5011 -6.4282 -6.4266 -6.3216 -6.3149 -0.9201 -0.9172 1.4325 1.4632 1.6913 1.7158 2.1366 2.1822 2.3751 2.4266 2.8236 2.8785 2.8956 2.9047 3.1616 3.1790 3.2489 3.2800 3.3102 3.3115 3.4897 3.5139 3.5289 3.5362 4.5086 4.6191 4.6418 4.6623 4.6859 4.7176 4.7375 4.7756 5.0284 5.0529 5.1481 5.1516 5.2435 5.3270 5.4961 5.5608 5.5650 5.5859 5.8278 5.8474 6.2823 6.3099 6.6593 6.7225 6.8960 6.9076 7.0970 7.1099 7.5481 7.5644 8.2739 8.3356 9.8744 9.9230 10.2180 10.2316 10.3404 10.3935 10.8223 10.8807 k = 0.0000 0.0000 0.4626 ( 6971 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7927 -14.7926 -14.7481 -14.7479 -14.7459 -14.7459 -7.2476 -7.2470 -6.5186 -6.5146 -6.4373 -6.4358 -6.3273 -6.3204 -0.9220 -0.9189 1.4000 1.4283 1.6887 1.7221 2.1057 2.1559 2.3658 2.4109 2.8479 2.8995 2.9200 2.9272 3.1760 3.1906 3.2438 3.2778 3.3106 3.3118 3.4900 3.5209 3.5304 3.5464 4.5129 4.6131 4.6434 4.6699 4.6863 4.7265 4.7441 4.7731 5.0400 5.0677 5.1801 5.1877 5.2223 5.3064 5.5329 5.5490 5.5516 5.6204 5.8260 5.8447 6.3046 6.3272 6.6518 6.7149 6.9062 6.9178 7.0752 7.0855 7.5383 7.5548 8.2736 8.3375 9.8887 9.9539 10.2257 10.2530 10.3341 10.3536 10.8310 10.8979 k = 0.0000 0.0000 0.4846 ( 6991 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7927 -14.7926 -14.7481 -14.7479 -14.7459 -14.7459 -7.2230 -7.2224 -6.5316 -6.5277 -6.4463 -6.4448 -6.3336 -6.3267 -0.9248 -0.9215 1.3686 1.3947 1.6845 1.7272 2.0768 2.1338 2.3494 2.3894 2.8737 2.9290 2.9458 2.9581 3.1896 3.2012 3.2371 3.2748 3.3111 3.3119 3.4887 3.5281 3.5294 3.5597 4.5172 4.6068 4.6443 4.6772 4.6866 4.7351 4.7512 4.7705 5.0503 5.0792 5.1899 5.2170 5.2389 5.2864 5.5119 5.5271 5.5913 5.6622 5.8264 5.8441 6.3246 6.3416 6.6478 6.7107 6.9159 6.9276 7.0587 7.0661 7.5288 7.5453 8.2682 8.3339 9.8951 9.9762 10.1968 10.2720 10.3326 10.3540 10.8367 10.9119 k = 0.0000 0.0000 0.5066 ( 6985 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7927 -14.7926 -14.7481 -14.7479 -14.7459 -14.7459 -7.1981 -7.1974 -6.5441 -6.5401 -6.4551 -6.4536 -6.3408 -6.3338 -0.9285 -0.9250 1.3385 1.3625 1.6778 1.7292 2.0533 2.1181 2.3269 2.3626 2.9036 2.9620 2.9791 2.9888 3.2024 3.2105 3.2286 3.2714 3.3117 3.3118 3.4870 3.5257 3.5382 3.5724 4.5214 4.6006 4.6446 4.6844 4.6869 4.7423 4.7591 4.7690 5.0597 5.0880 5.1695 5.2550 5.2690 5.2811 5.4866 5.5014 5.6330 5.7003 5.8306 5.8475 6.3419 6.3534 6.6475 6.7102 6.9250 6.9370 7.0476 7.0521 7.5195 7.5360 8.2572 8.3245 9.8956 9.9908 10.1528 10.2345 10.3697 10.3915 10.8402 10.9231 k = 0.0000 0.0000 0.5286 ( 6985 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7927 -14.7926 -14.7480 -14.7479 -14.7459 -14.7459 -7.1731 -7.1723 -6.5558 -6.5519 -6.4637 -6.4622 -6.3488 -6.3417 -0.9330 -0.9294 1.3097 1.3318 1.6679 1.7260 2.0385 2.1098 2.2998 2.3322 2.9364 2.9964 3.0140 3.0229 3.2143 3.2180 3.2186 3.2681 3.3115 3.3124 3.4853 3.5234 3.5469 3.5842 4.5253 4.5947 4.6442 4.6872 4.6913 4.7453 4.7675 4.7711 5.0681 5.0946 5.1486 5.2451 5.3019 5.3257 5.4607 5.4757 5.6692 5.7313 5.8406 5.8576 6.3562 6.3624 6.6508 6.7135 6.9336 6.9460 7.0416 7.0431 7.5106 7.5270 8.2408 8.3092 9.8913 9.9984 10.1017 10.1808 10.4237 10.4383 10.8423 10.9319 k = 0.0000 0.0000 0.5507 ( 6993 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7928 -14.7927 -14.7480 -14.7479 -14.7459 -14.7459 -7.1480 -7.1472 -6.5667 -6.5628 -6.4719 -6.4706 -6.3577 -6.3505 -0.9381 -0.9344 1.2825 1.3027 1.6546 1.7162 2.0339 2.1095 2.2700 2.2997 2.9696 3.0317 3.0430 3.0652 3.2063 3.2232 3.2260 3.2661 3.3112 3.3133 3.4838 3.5211 3.5550 3.5951 4.5286 4.5897 4.6432 4.6873 4.6980 4.7435 4.7765 4.7775 5.0753 5.0987 5.1284 5.2252 5.3450 5.3705 5.4356 5.4517 5.6976 5.7524 5.8585 5.8773 6.3674 6.3689 6.6576 6.7207 6.9417 6.9546 7.0390 7.0404 7.5022 7.5184 8.2187 8.2877 9.8824 9.9943 10.0521 10.1238 10.4822 10.4902 10.8441 10.9388 k = 0.0000 0.0000 0.5727 ( 6981 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7928 -14.7927 -14.7480 -14.7479 -14.7459 -14.7459 -7.1231 -7.1222 -6.5766 -6.5727 -6.4798 -6.4785 -6.3674 -6.3603 -0.9437 -0.9400 1.2568 1.2752 1.6383 1.7000 2.0395 2.1165 2.2389 2.2669 3.0010 3.0671 3.0694 3.1100 3.1932 3.2258 3.2369 3.2667 3.3110 3.3144 3.4824 3.5189 3.5626 3.6050 4.5310 4.5860 4.6418 4.6868 4.7047 4.7394 4.7859 4.7860 5.0800 5.0996 5.1102 5.2055 5.3841 5.4036 5.4230 5.4340 5.7176 5.7643 5.8852 5.9062 6.3734 6.3757 6.6679 6.7318 6.9498 6.9629 7.0391 7.0434 7.4944 7.5102 8.1910 8.2601 9.8672 9.9569 10.0282 10.0683 10.5429 10.5449 10.8468 10.9445 k = 0.0000 0.0000 0.5947 ( 6975 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7928 -14.7927 -14.7480 -14.7479 -14.7459 -14.7459 -7.0986 -7.0977 -6.5853 -6.5814 -6.4874 -6.4861 -6.3780 -6.3709 -0.9497 -0.9460 1.2328 1.2495 1.6198 1.6789 2.0528 2.1288 2.2090 2.2355 3.0283 3.0936 3.1006 3.1500 3.1831 3.2281 3.2482 3.2699 3.3112 3.3159 3.4813 3.5167 3.5695 3.6140 4.5322 4.5839 4.6400 4.6851 4.7115 4.7349 4.7951 4.7955 5.0753 5.0956 5.1003 5.1877 5.3860 5.3933 5.4480 5.4616 5.7312 5.7708 5.9187 5.9405 6.3760 6.3813 6.6814 6.7464 6.9581 6.9711 7.0427 7.0499 7.4872 7.5026 8.1578 8.2265 9.8415 9.8949 10.0201 10.0234 10.6003 10.6044 10.8518 10.9496 k = 0.0000 0.0000 0.6167 ( 6969 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7928 -14.7927 -14.7480 -14.7479 -14.7459 -14.7459 -7.0747 -7.0737 -6.5928 -6.5889 -6.4944 -6.4932 -6.3895 -6.3824 -0.9558 -0.9523 1.2106 1.2256 1.6002 1.6550 2.0698 2.1394 2.1870 2.2086 3.0499 3.1146 3.1283 3.1536 3.2048 3.2350 3.2623 3.2746 3.3121 3.3179 3.4805 3.5145 3.5757 3.6220 4.5322 4.5836 4.6378 4.6819 4.7186 4.7311 4.8041 4.8052 5.0587 5.0846 5.1015 5.1737 5.3666 5.3795 5.4860 5.5020 5.7417 5.7751 5.9562 5.9772 6.3774 6.3847 6.6980 6.7641 6.9670 6.9792 7.0492 7.0594 7.4807 7.4955 8.1195 8.1872 9.8012 9.8263 9.9851 10.0208 10.6542 10.6656 10.8610 10.9550 k = 0.0000 0.0000 0.6388 ( 6961 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7927 -14.7480 -14.7479 -14.7459 -14.7459 -7.0516 -7.0506 -6.5988 -6.5949 -6.5010 -6.4999 -6.4018 -6.3948 -0.9620 -0.9586 1.1901 1.2036 1.5802 1.6301 2.0831 2.1281 2.1923 2.1927 3.0635 3.1226 3.1472 3.1484 3.2325 3.2504 3.2808 3.2861 3.3142 3.3203 3.4800 3.5124 3.5812 3.6290 4.5313 4.5849 4.6353 4.6766 4.7261 4.7288 4.8128 4.8148 5.0388 5.0658 5.1052 5.1647 5.3501 5.3653 5.5243 5.5387 5.7519 5.7797 5.9955 6.0143 6.3778 6.3863 6.7173 6.7844 6.9764 6.9874 7.0582 7.0713 7.4749 7.4891 8.0765 8.1425 9.7468 9.7555 9.9638 10.0179 10.7039 10.7252 10.8768 10.9618 k = 0.0000 0.0000 0.6608 ( 6951 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7927 -14.7480 -14.7479 -14.7459 -14.7459 -7.0296 -7.0285 -6.6031 -6.5992 -6.5071 -6.5061 -6.4148 -6.4079 -0.9681 -0.9649 1.1715 1.1835 1.5607 1.6053 2.0824 2.1029 2.1956 2.2174 3.0670 3.1064 3.1603 3.1620 3.2468 3.2670 3.2930 3.3188 3.3214 3.3235 3.4797 3.5104 3.5860 3.6351 4.5299 4.5874 4.6323 4.6694 4.7281 4.7340 4.8208 4.8243 5.0184 5.0411 5.1088 5.1595 5.3368 5.3532 5.5588 5.5699 5.7638 5.7861 6.0348 6.0509 6.3775 6.3865 6.7391 6.8065 6.9864 6.9956 7.0698 7.0855 7.4699 7.4832 8.0294 8.0931 9.6841 9.6843 9.9519 10.0140 10.7462 10.7810 10.9021 10.9719 k = 0.0000 0.0000 0.6828 ( 6961 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7480 -14.7479 -14.7459 -14.7459 -7.0090 -7.0079 -6.6057 -6.6018 -6.5126 -6.5117 -6.4286 -6.4219 -0.9740 -0.9709 1.1547 1.1653 1.5424 1.5817 2.0679 2.0767 2.2175 2.2477 3.0603 3.0837 3.1726 3.1781 3.2541 3.2738 3.3105 3.3264 3.3317 3.3609 3.4798 3.5085 3.5902 3.6401 4.5285 4.5906 4.6286 4.6606 4.7291 4.7423 4.8278 4.8332 4.9982 5.0129 5.1118 5.1561 5.3268 5.3436 5.5876 5.5947 5.7784 5.7952 6.0730 6.0860 6.3767 6.3858 6.7629 6.8295 6.9967 7.0038 7.0841 7.1015 7.4655 7.4780 7.9789 8.0398 9.6144 9.6183 9.9456 10.0092 10.7792 10.8296 10.9380 10.9881 k = 0.0000 0.0000 0.7048 ( 6963 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7480 -14.7479 -14.7459 -14.7459 -6.9900 -6.9890 -6.6063 -6.6023 -6.5176 -6.5167 -6.4431 -6.4365 -0.9795 -0.9767 1.1400 1.1491 1.5257 1.5597 2.0481 2.0520 2.2487 2.2803 3.0460 3.0590 3.1854 3.1931 3.2581 3.2755 3.3195 3.3300 3.3581 3.3983 3.4804 3.5068 3.5938 3.6440 4.5277 4.5943 4.6239 4.6515 4.7318 4.7511 4.8339 4.8418 4.9789 4.9834 5.1144 5.1534 5.3197 5.3361 5.6099 5.6130 5.7958 5.8075 6.1091 6.1190 6.3757 6.3844 6.7879 6.8523 7.0072 7.0123 7.1013 7.1194 7.4618 7.4732 7.9261 7.9835 9.5474 9.5530 9.9426 10.0037 10.8043 10.8667 10.9820 11.0137 k = 0.0000 0.0000 0.7269 ( 6960 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7929 -14.7928 -14.7480 -14.7479 -14.7459 -14.7459 -6.9730 -6.9721 -6.6049 -6.6008 -6.5219 -6.5211 -6.4580 -6.4516 -0.9844 -0.9820 1.1272 1.1349 1.5110 1.5399 2.0280 2.0298 2.2835 2.3136 3.0270 3.0333 3.1980 3.2064 3.2603 3.2752 3.3254 3.3337 3.3871 3.4314 3.4823 3.5056 3.5972 3.6469 4.5277 4.5980 4.6172 4.6432 4.7359 4.7605 4.8388 4.8497 4.9540 4.9609 5.1166 5.1507 5.3152 5.3304 5.6257 5.6257 5.8147 5.8224 6.1422 6.1493 6.3747 6.3827 6.8134 6.8736 7.0178 7.0208 7.1220 7.1392 7.4588 7.4689 7.8723 7.9255 9.4848 9.4908 9.9417 9.9975 10.8247 10.8906 11.0298 11.0493 k = 0.0000 0.0000 0.7489 ( 6960 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7929 -14.7928 -14.7480 -14.7479 -14.7459 -14.7459 -6.9582 -6.9574 -6.6013 -6.5971 -6.5256 -6.5249 -6.4734 -6.4671 -0.9888 -0.9867 1.1164 1.1228 1.4986 1.5224 2.0096 2.0104 2.3188 2.3460 3.0057 3.0076 3.2097 3.2181 3.2612 3.2738 3.3305 3.3371 3.4139 3.4564 3.4877 3.5050 3.6006 3.6484 4.5288 4.6018 4.6081 4.6366 4.7417 4.7703 4.8421 4.8566 4.9258 4.9445 5.1187 5.1477 5.3127 5.3261 5.6342 5.6362 5.8336 5.8384 6.1716 6.1763 6.3738 6.3808 6.8384 6.8922 7.0278 7.0293 7.1460 7.1606 7.4563 7.4650 7.8190 7.8672 9.4283 9.4341 9.9423 9.9910 10.8424 10.9043 11.0773 11.0902 k = 0.0000 0.0000 0.7709 ( 6956 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7929 -14.7928 -14.7479 -14.7479 -14.7459 -14.7458 -6.9459 -6.9452 -6.5956 -6.5912 -6.5287 -6.5281 -6.4888 -6.4829 -0.9924 -0.9907 1.1077 1.1128 1.4886 1.5076 1.9939 1.9942 2.3527 2.3759 2.9832 2.9839 3.2202 3.2282 3.2610 3.2716 3.3351 3.3402 3.4366 3.4686 3.5003 3.5057 3.6045 3.6485 4.5311 4.5973 4.6054 4.6318 4.7491 4.7802 4.8437 4.8618 4.9006 4.9299 5.1207 5.1446 5.3116 5.3229 5.6398 5.6427 5.8509 5.8538 6.1966 6.1993 6.3730 6.3789 6.8618 6.9071 7.0370 7.0373 7.1727 7.1834 7.4544 7.4616 7.7683 7.8105 9.3794 9.3845 9.9441 9.9844 10.8584 10.9116 11.1215 11.1309 k = 0.0000 0.0000 0.7930 ( 6952 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7929 -14.7928 -14.7479 -14.7479 -14.7459 -14.7458 -6.9362 -6.9356 -6.5879 -6.5833 -6.5312 -6.5305 -6.5041 -6.4985 -0.9953 -0.9940 1.1010 1.1048 1.4812 1.4954 1.9813 1.9814 2.3832 2.4017 2.9614 2.9635 3.2294 3.2368 3.2598 3.2689 3.3389 3.3427 3.4540 3.4726 3.5082 3.5143 3.6097 3.6470 4.5347 4.5857 4.6089 4.6279 4.7583 4.7898 4.8432 4.8601 4.8838 4.9174 5.1229 5.1412 5.3117 5.3204 5.6435 5.6464 5.8654 5.8671 6.2165 6.2179 6.3726 6.3771 6.8825 6.9176 7.0445 7.0449 7.2003 7.2066 7.4530 7.4584 7.7232 7.7578 9.3397 9.3438 9.9469 9.9777 10.8728 10.9145 11.1598 11.1667 k = 0.0000 0.0000 0.8150 ( 6956 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7929 -14.7928 -14.7479 -14.7479 -14.7459 -14.7458 -6.9291 -6.9287 -6.5785 -6.5739 -6.5330 -6.5323 -6.5186 -6.5137 -0.9973 -0.9964 1.0964 1.0989 1.4766 1.4860 1.9721 1.9721 2.4083 2.4213 2.9442 2.9464 3.2372 3.2440 3.2579 3.2656 3.3420 3.3444 3.4653 3.4740 3.5131 3.5234 3.6165 3.6438 4.5398 4.5744 4.6122 4.6246 4.7693 4.7981 4.8405 4.8460 4.8826 4.9070 5.1254 5.1378 5.3124 5.3183 5.6460 5.6482 5.8764 5.8773 6.2309 6.2315 6.3724 6.3755 6.8996 6.9235 7.0503 7.0508 7.2255 7.2280 7.4522 7.4557 7.6874 7.7126 9.3105 9.3133 9.9505 9.9713 10.8856 10.9142 11.1898 11.1945 k = 0.0000 0.0000 0.8370 ( 6964 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7929 -14.7928 -14.7479 -14.7479 -14.7458 -14.7458 -6.9249 -6.9247 -6.5682 -6.5643 -6.5351 -6.5335 -6.5303 -6.5274 -0.9985 -0.9980 1.0938 1.0951 1.4747 1.4794 1.9665 1.9665 2.4259 2.4326 2.9332 2.9346 3.2436 3.2492 3.2558 3.2617 3.3440 3.3453 3.4712 3.4744 3.5193 3.5265 3.6243 3.6387 4.5464 4.5639 4.6153 4.6215 4.7818 4.8016 4.8332 4.8360 4.8867 4.8988 5.1281 5.1344 5.3135 5.3165 5.6476 5.6488 5.8831 5.8836 6.2397 6.2399 6.3727 6.3742 6.9125 6.9246 7.0541 7.0545 7.2435 7.2440 7.4519 7.4536 7.6658 7.6793 9.2929 9.2943 9.9548 9.9653 10.8964 10.9109 11.2093 11.2117 k = 0.0000 0.0000 0.8590 ( 6940 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7929 -14.7929 -14.7479 -14.7479 -14.7458 -14.7458 -6.9234 -6.9234 -6.5606 -6.5606 -6.5372 -6.5372 -6.5331 -6.5331 -0.9987 -0.9987 1.0934 1.0934 1.4756 1.4756 1.9647 1.9647 2.4343 2.4343 2.9299 2.9299 3.2485 3.2485 3.2577 3.2577 3.3452 3.3452 3.4738 3.4738 3.5246 3.5246 3.6321 3.6321 4.5545 4.5545 4.6184 4.6184 4.7944 4.7944 4.8316 4.8316 4.8922 4.8922 5.1312 5.1312 5.3150 5.3150 5.6486 5.6486 5.8856 5.8856 6.2427 6.2427 6.3733 6.3733 6.9209 6.9209 7.0557 7.0557 7.2502 7.2502 7.4523 7.4523 7.6627 7.6627 9.2874 9.2874 9.9598 9.9598 10.9049 10.9049 11.2168 11.2168 k = 0.0000 0.0000 0.8590 ( 6940 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7929 -14.7929 -14.7479 -14.7479 -14.7458 -14.7458 -6.9234 -6.9234 -6.5606 -6.5606 -6.5372 -6.5372 -6.5331 -6.5331 -0.9987 -0.9987 1.0934 1.0934 1.4756 1.4756 1.9647 1.9647 2.4343 2.4343 2.9299 2.9299 3.2485 3.2485 3.2577 3.2577 3.3452 3.3452 3.4738 3.4738 3.5246 3.5246 3.6321 3.6321 4.5545 4.5545 4.6184 4.6184 4.7944 4.7944 4.8316 4.8316 4.8922 4.8922 5.1312 5.1312 5.3150 5.3150 5.6486 5.6486 5.8856 5.8856 6.2427 6.2427 6.3733 6.3733 6.9209 6.9209 7.0557 7.0557 7.2502 7.2502 7.4523 7.4523 7.6627 7.6627 9.2874 9.2874 9.9598 9.9598 10.9049 10.9049 11.2168 11.2168 k =-0.0128 0.0179 0.8590 ( 6960 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7929 -14.7928 -14.7479 -14.7479 -14.7459 -14.7458 -6.9234 -6.9233 -6.5603 -6.5602 -6.5380 -6.5369 -6.5339 -6.5330 -0.9980 -0.9977 1.0948 1.0952 1.4760 1.4777 1.9639 1.9646 2.4336 2.4363 2.9273 2.9331 3.2458 3.2501 3.2562 3.2595 3.3441 3.3452 3.4678 3.4776 3.5232 3.5251 3.6284 3.6346 4.5502 4.5578 4.6111 4.6261 4.7919 4.7963 4.8263 4.8365 4.8905 4.8928 5.1265 5.1373 5.3140 5.3152 5.6462 5.6492 5.8793 5.8832 6.2409 6.2414 6.3747 6.3808 6.9199 6.9224 7.0519 7.0542 7.2497 7.2515 7.4487 7.4498 7.6634 7.6654 9.2881 9.2911 9.9632 9.9683 10.9022 10.9054 11.2230 11.2238 k =-0.0256 0.0358 0.8590 ( 6962 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7459 -14.7458 -6.9233 -6.9233 -6.5593 -6.5591 -6.5395 -6.5370 -6.5357 -6.5334 -0.9955 -0.9949 1.0992 1.1000 1.4789 1.4822 1.9625 1.9637 2.4344 2.4399 2.9252 2.9369 3.2421 3.2506 3.2549 3.2615 3.3419 3.3442 3.4597 3.4792 3.5209 3.5250 3.6238 3.6359 4.5450 4.5603 4.6043 4.6336 4.7889 4.7977 4.8211 4.8413 4.8877 4.8925 5.1235 5.1450 5.3124 5.3147 5.6422 5.6483 5.8654 5.8723 6.2363 6.2372 6.3847 6.3962 6.9193 6.9241 7.0435 7.0477 7.2501 7.2536 7.4391 7.4410 7.6676 7.6712 9.2932 9.2992 9.9782 9.9884 10.8971 10.9030 11.2422 11.2444 k =-0.0384 0.0537 0.8590 ( 6952 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7459 -14.7458 -6.9233 -6.9232 -6.5577 -6.5573 -6.5421 -6.5390 -6.5369 -6.5341 -0.9913 -0.9905 1.1067 1.1079 1.4842 1.4892 1.9602 1.9620 2.4367 2.4448 2.9237 2.9412 3.2377 3.2504 3.2536 3.2636 3.3386 3.3424 3.4494 3.4779 3.5182 3.5247 3.6185 3.6358 4.5389 4.5621 4.5984 4.6407 4.7852 4.7985 4.8159 4.8457 4.8837 4.8914 5.1222 5.1542 5.3102 5.3136 5.6364 5.6457 5.8456 5.8546 6.2290 6.2303 6.4015 6.4172 6.9195 6.9262 7.0308 7.0366 7.2513 7.2561 7.4241 7.4267 7.6755 7.6801 9.3029 9.3114 10.0042 10.0193 10.8890 10.8967 11.2743 11.2786 k =-0.0512 0.0716 0.8590 ( 6960 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7459 -14.7458 -6.9232 -6.9232 -6.5555 -6.5548 -6.5457 -6.5429 -6.5373 -6.5347 -0.9856 -0.9845 1.1172 1.1187 1.4920 1.4986 1.9570 1.9595 2.4403 2.4512 2.9227 2.9460 3.2327 3.2496 3.2521 3.2655 3.3342 3.3400 3.4368 3.4729 3.5155 3.5244 3.6128 3.6343 4.5321 4.5632 4.5935 4.6470 4.7807 4.7984 4.8108 4.8497 4.8785 4.8898 5.1225 5.1647 5.3074 5.3118 5.6287 5.6414 5.8221 5.8319 6.2193 6.2209 6.4227 6.4414 6.9205 6.9285 7.0145 7.0215 7.2528 7.2586 7.4045 7.4073 7.6873 7.6921 9.3168 9.3276 10.0398 10.0595 10.8772 10.8857 11.3189 11.3262 k =-0.0640 0.0895 0.8590 ( 6964 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7459 -14.7458 -6.9233 -6.9233 -6.5544 -6.5517 -6.5487 -6.5479 -6.5376 -6.5352 -0.9784 -0.9771 1.1307 1.1326 1.5022 1.5105 1.9530 1.9561 2.4453 2.4589 2.9222 2.9513 3.2272 3.2484 3.2505 3.2671 3.3288 3.3369 3.4220 3.4636 3.5131 3.5241 3.6072 3.6314 4.5250 4.5637 4.5893 4.6525 4.7755 4.7970 4.8064 4.8531 4.8722 4.8879 5.1246 5.1765 5.3040 5.3093 5.6191 5.6354 5.7965 5.8063 6.2075 6.2094 6.4458 6.4664 6.9227 6.9308 6.9958 7.0030 7.2544 7.2608 7.3809 7.3841 7.7031 7.7073 9.3350 9.3477 10.0832 10.1076 10.8608 10.8691 11.3747 11.3847 k =-0.0769 0.1074 0.8590 ( 6958 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7480 -14.7479 -14.7459 -14.7458 -6.9236 -6.9235 -6.5586 -6.5541 -6.5481 -6.5469 -6.5375 -6.5354 -0.9698 -0.9685 1.1470 1.1493 1.5149 1.5249 1.9482 1.9519 2.4516 2.4680 2.9222 2.9571 3.2211 3.2467 3.2486 3.2684 3.3223 3.3334 3.4051 3.4503 3.5108 3.5240 3.6020 3.6273 4.5182 4.5638 4.5858 4.6574 4.7697 4.7935 4.8030 4.8557 4.8652 4.8859 5.1284 5.1895 5.3001 5.3062 5.6074 5.6276 5.7703 5.7792 6.1941 6.1962 6.4685 6.4904 6.9261 6.9323 6.9760 6.9819 7.2558 7.2625 7.3542 7.3580 7.7231 7.7261 9.3570 9.3712 10.1321 10.1613 10.8393 10.8464 11.3933 11.3971 k =-0.0897 0.1253 0.8590 ( 6962 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7480 -14.7479 -14.7459 -14.7458 -6.9241 -6.9241 -6.5655 -6.5611 -6.5444 -6.5428 -6.5367 -6.5354 -0.9602 -0.9587 1.1662 1.1688 1.5299 1.5418 1.9423 1.9467 2.4593 2.4784 2.9226 2.9633 3.2145 3.2446 3.2465 3.2694 3.3149 3.3297 3.3866 3.4333 3.5079 3.5238 3.5975 3.6223 4.5118 4.5633 4.5828 4.6617 4.7630 4.7884 4.8001 4.8545 4.8604 4.8840 5.1339 5.2035 5.2958 5.3025 5.5935 5.6178 5.7444 5.7518 6.1796 6.1817 6.4891 6.5116 6.9292 6.9307 6.9591 6.9591 7.2569 7.2632 7.3253 7.3304 7.7475 7.7486 9.3824 9.3979 10.1839 10.2184 10.8125 10.8174 11.3141 11.3193 k =-0.1025 0.1432 0.8590 ( 6968 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7480 -14.7479 -14.7459 -14.7458 -6.9251 -6.9251 -6.5734 -6.5691 -6.5414 -6.5381 -6.5347 -6.5342 -0.9497 -0.9481 1.1881 1.1909 1.5474 1.5610 1.9355 1.9405 2.4681 2.4900 2.9235 2.9698 3.2073 3.2422 3.2441 3.2699 3.3065 3.3258 3.3671 3.4134 3.5041 3.5235 3.5941 3.6164 4.5063 4.5623 4.5799 4.6656 4.7557 4.7824 4.7968 4.8463 4.8613 4.8822 5.1412 5.2184 5.2910 5.2981 5.5774 5.6061 5.7195 5.7250 6.1645 6.1666 6.5061 6.5292 6.9144 6.9315 6.9398 6.9524 7.2573 7.2623 7.2950 7.3029 7.7750 7.7762 9.4108 9.4272 10.2353 10.2761 10.7806 10.7820 11.2276 11.2366 k =-0.1153 0.1611 0.8590 ( 6986 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7480 -14.7479 -14.7459 -14.7458 -6.9265 -6.9265 -6.5823 -6.5779 -6.5396 -6.5351 -6.5311 -6.5295 -0.9385 -0.9370 1.2127 1.2157 1.5671 1.5826 1.9277 1.9333 2.4781 2.5028 2.9247 2.9766 3.1993 3.2395 3.2413 3.2700 3.2970 3.3218 3.3477 3.3914 3.4990 3.5226 3.5919 3.6102 4.5019 4.5608 4.5772 4.6693 4.7477 4.7758 4.7928 4.8364 4.8624 4.8805 5.1500 5.2341 5.2859 5.2932 5.5590 5.5925 5.6959 5.6992 6.1493 6.1513 6.5191 6.5426 6.8917 6.9079 6.9450 6.9522 7.2559 7.2562 7.2651 7.2799 7.8055 7.8094 9.4414 9.4587 10.2827 10.3314 10.7403 10.7440 11.1388 11.1529 k =-0.1281 0.1789 0.8590 ( 6974 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7927 -14.7480 -14.7479 -14.7459 -14.7458 -6.9285 -6.9285 -6.5920 -6.5875 -6.5378 -6.5334 -6.5250 -6.5235 -0.9269 -0.9254 1.2398 1.2430 1.5891 1.6065 1.9189 1.9250 2.4892 2.5166 2.9263 2.9836 3.1902 3.2365 3.2381 3.2692 3.2863 3.3173 3.3294 3.3683 3.4928 3.5210 3.5908 3.6041 4.4987 4.5589 4.5745 4.6731 4.7393 4.7688 4.7879 4.8260 4.8631 4.8788 5.1605 5.2503 5.2807 5.2880 5.5384 5.5770 5.6741 5.6751 6.1345 6.1363 6.5275 6.5514 6.8666 6.8818 6.9523 6.9527 7.2321 7.2374 7.2574 7.2701 7.8398 7.8468 9.4735 9.4914 10.3219 10.3809 10.6930 10.7035 11.0500 11.0706 k =-0.1281 0.1789 0.8590 ( 6974 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7927 -14.7480 -14.7479 -14.7459 -14.7458 -6.9285 -6.9285 -6.5920 -6.5875 -6.5378 -6.5334 -6.5250 -6.5235 -0.9269 -0.9254 1.2398 1.2430 1.5891 1.6065 1.9189 1.9250 2.4892 2.5166 2.9263 2.9836 3.1902 3.2365 3.2381 3.2692 3.2863 3.3173 3.3294 3.3683 3.4928 3.5210 3.5908 3.6041 4.4987 4.5589 4.5745 4.6731 4.7393 4.7688 4.7879 4.8260 4.8631 4.8788 5.1605 5.2503 5.2807 5.2880 5.5384 5.5770 5.6741 5.6751 6.1345 6.1363 6.5275 6.5514 6.8666 6.8818 6.9523 6.9527 7.2321 7.2374 7.2574 7.2701 7.8398 7.8468 9.4735 9.4914 10.3219 10.3809 10.6930 10.7035 11.0500 11.0706 k =-0.1369 0.1913 0.8438 ( 6972 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7927 -14.7480 -14.7479 -14.7459 -14.7458 -6.9307 -6.9306 -6.5989 -6.5943 -6.5428 -6.5376 -6.5157 -6.5110 -0.9186 -0.9172 1.2604 1.2638 1.6061 1.6251 1.9130 1.9195 2.4949 2.5240 2.9296 2.9901 3.1826 3.2329 3.2354 3.2674 3.2786 3.3131 3.3180 3.3529 3.4873 3.5194 3.5879 3.6018 4.4973 4.5571 4.5732 4.6758 4.7331 4.7631 4.7839 4.8186 4.8638 4.8791 5.1683 5.2605 5.2777 5.2852 5.5229 5.5653 5.6589 5.6597 6.1225 6.1256 6.5303 6.5551 6.8475 6.8625 6.9518 6.9578 7.2106 7.2202 7.2565 7.2667 7.8679 7.8787 9.4981 9.5163 10.3389 10.4116 10.6497 10.6804 10.9921 11.0178 k =-0.1458 0.2037 0.8286 ( 6966 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7927 -14.7480 -14.7479 -14.7459 -14.7458 -6.9337 -6.9335 -6.6058 -6.6012 -6.5504 -6.5453 -6.5013 -6.4959 -0.9100 -0.9085 1.2828 1.2866 1.6253 1.6462 1.9084 1.9152 2.4963 2.5263 2.9369 2.9996 3.1733 3.2275 3.2311 3.2619 3.2722 3.3038 3.3105 3.3398 3.4804 3.5173 3.5815 3.6015 4.4966 4.5550 4.5724 4.6787 4.7268 4.7566 4.7789 4.8116 4.8644 4.8831 5.1760 5.2650 5.2765 5.2868 5.5067 5.5528 5.6430 5.6452 6.1075 6.1132 6.5303 6.5570 6.8260 6.8410 6.9501 6.9628 7.1893 7.2026 7.2549 7.2626 7.9021 7.9175 9.5262 9.5443 10.3407 10.4414 10.5953 10.6637 10.9421 10.9719 k =-0.1547 0.2161 0.8134 ( 6961 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7927 -14.7480 -14.7479 -14.7459 -14.7458 -6.9374 -6.9371 -6.6126 -6.6079 -6.5580 -6.5531 -6.4859 -6.4803 -0.9010 -0.8994 1.3070 1.3113 1.6465 1.6695 1.9050 1.9121 2.4938 2.5238 2.9473 3.0116 3.1621 3.2205 3.2248 3.2525 3.2664 3.2911 3.3048 3.3309 3.4731 3.5145 3.5740 3.6010 4.4967 4.5527 4.5716 4.6818 4.7204 4.7497 4.7731 4.8050 4.8646 4.8904 5.1834 5.2634 5.2749 5.2957 5.4900 5.5397 5.6275 5.6310 6.0902 6.0990 6.5277 6.5574 6.8025 6.8177 6.9475 6.9672 7.1692 7.1861 7.2523 7.2585 7.9414 7.9612 9.5563 9.5741 10.3248 10.4694 10.5332 10.6544 10.9023 10.9345 k =-0.1635 0.2284 0.7982 ( 6971 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7927 -14.7927 -14.7480 -14.7479 -14.7459 -14.7458 -6.9416 -6.9412 -6.6193 -6.6145 -6.5654 -6.5607 -6.4703 -6.4644 -0.8919 -0.8901 1.3329 1.3378 1.6697 1.6950 1.9030 1.9101 2.4877 2.5169 2.9597 3.0251 3.1492 3.2118 3.2165 3.2401 3.2581 3.2781 3.3003 3.3266 3.4657 3.5109 3.5665 3.5999 4.4975 4.5505 4.5703 4.6848 4.7138 4.7431 4.7668 4.7988 4.8651 4.9000 5.1899 5.2604 5.2734 5.3070 5.4728 5.5261 5.6125 5.6171 6.0710 6.0832 6.5227 6.5563 6.7775 6.7929 6.9435 6.9705 7.1513 7.1720 7.2484 7.2552 7.9845 8.0081 9.5872 9.6039 10.2923 10.4591 10.5012 10.6533 10.8733 10.9061 k =-0.1724 0.2408 0.7830 ( 6957 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7927 -14.7927 -14.7480 -14.7479 -14.7459 -14.7458 -6.9461 -6.9457 -6.6258 -6.6209 -6.5726 -6.5681 -6.4547 -6.4485 -0.8827 -0.8806 1.3603 1.3659 1.6947 1.7224 1.9023 1.9094 2.4786 2.5065 2.9727 3.0390 3.1347 3.2014 3.2065 3.2243 3.2475 3.2665 3.2978 3.3253 3.4585 3.5065 3.5593 3.5980 4.4992 4.5484 4.5685 4.6872 4.7072 4.7375 4.7607 4.7931 4.8662 4.9115 5.1953 5.2576 5.2726 5.3182 5.4557 5.5122 5.5983 5.6037 6.0503 6.0663 6.5158 6.5538 6.7516 6.7673 6.9378 6.9721 7.1366 7.1609 7.2438 7.2531 8.0299 8.0569 9.6171 9.6318 10.2475 10.3875 10.5252 10.6586 10.8547 10.8870 k =-0.1812 0.2532 0.7678 ( 6955 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7927 -14.7926 -14.7480 -14.7480 -14.7459 -14.7458 -6.9509 -6.9505 -6.6320 -6.6272 -6.5794 -6.5752 -6.4392 -6.4328 -0.8734 -0.8711 1.3892 1.3955 1.7210 1.7513 1.9033 1.9100 2.4671 2.4933 2.9846 3.0520 3.1191 3.1892 3.1932 3.2067 3.2361 3.2570 3.2969 3.3260 3.4519 3.5014 3.5529 3.5954 4.5017 4.5462 4.5662 4.6870 4.7021 4.7329 4.7549 4.7878 4.8683 4.9242 5.1995 5.2552 5.2730 5.3282 5.4392 5.4981 5.5849 5.5910 6.0286 6.0485 6.5074 6.5498 6.7254 6.7411 6.9303 6.9709 7.1261 7.1533 7.2390 7.2516 8.0765 8.1064 9.6439 9.6553 10.1964 10.3137 10.5495 10.6683 10.8461 10.8768 k =-0.1901 0.2655 0.7525 ( 6961 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7927 -14.7926 -14.7480 -14.7480 -14.7459 -14.7458 -6.9558 -6.9553 -6.6381 -6.6332 -6.5859 -6.5820 -6.4240 -6.4175 -0.8642 -0.8616 1.4195 1.4264 1.7483 1.7811 1.9062 1.9120 2.4536 2.4777 2.9932 3.0622 3.1036 3.1728 3.1754 3.1931 3.2241 3.2505 3.2969 3.3282 3.4459 3.4957 3.5474 3.5924 4.5048 4.5438 4.5634 4.6815 4.7011 4.7291 4.7500 4.7830 4.8715 4.9379 5.2025 5.2536 5.2743 5.3357 5.4243 5.4840 5.5723 5.5790 6.0062 6.0303 6.4978 6.5444 6.6995 6.7150 6.9209 6.9660 7.1206 7.1494 7.2346 7.2505 8.1233 8.1558 9.6655 9.6717 10.1444 10.2424 10.5731 10.6803 10.8470 10.8754 k =-0.1989 0.2779 0.7373 ( 6955 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7927 -14.7926 -14.7480 -14.7480 -14.7459 -14.7458 -6.9608 -6.9602 -6.6438 -6.6389 -6.5921 -6.5884 -6.4093 -6.4027 -0.8552 -0.8522 1.4508 1.4585 1.7756 1.8109 1.9119 1.9161 2.4386 2.4605 2.9962 3.0668 3.0903 3.1475 3.1599 3.1831 3.2124 3.2474 3.2973 3.3318 3.4406 3.4896 3.5428 3.5891 4.5085 4.5409 4.5607 4.6727 4.7024 4.7256 4.7463 4.7789 4.8759 4.9523 5.2049 5.2529 5.2759 5.3384 5.4131 5.4703 5.5603 5.5679 5.9839 6.0123 6.4872 6.5375 6.6747 6.6896 6.9099 6.9575 7.1201 7.1488 7.2307 7.2497 8.1693 8.2040 9.6774 9.6795 10.0967 10.1769 10.5965 10.6935 10.8576 10.8825 k =-0.2078 0.2903 0.7221 ( 6955 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7927 -14.7926 -14.7480 -14.7480 -14.7459 -14.7458 -6.9656 -6.9651 -6.6492 -6.6443 -6.5979 -6.5945 -6.3953 -6.3885 -0.8465 -0.8431 1.4831 1.4915 1.8017 1.8386 1.9220 1.9233 2.4223 2.4419 2.9913 3.0624 3.0823 3.1203 3.1432 3.1731 3.2038 3.2477 3.2979 3.3367 3.4361 3.4834 3.5392 3.5856 4.5125 4.5374 4.5584 4.6630 4.7040 4.7219 4.7437 4.7758 4.8815 4.9673 5.2072 5.2533 5.2769 5.3343 5.4073 5.4573 5.5489 5.5579 5.9620 5.9949 6.4758 6.5291 6.6515 6.6654 6.8977 6.9460 7.1240 7.1512 7.2272 7.2492 8.2137 8.2504 9.6709 9.6822 10.0570 10.1210 10.6201 10.7071 10.8777 10.8980 k =-0.2166 0.3027 0.7069 ( 6953 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7927 -14.7926 -14.7481 -14.7480 -14.7459 -14.7458 -6.9704 -6.9697 -6.6543 -6.6494 -6.6032 -6.6001 -6.3820 -6.3750 -0.8380 -0.8344 1.5160 1.5251 1.8247 1.8613 1.9348 1.9394 2.4051 2.4223 2.9780 3.0508 3.0766 3.0933 3.1260 3.1602 3.2013 3.2509 3.2985 3.3429 3.4325 3.4773 3.5363 3.5820 4.5164 4.5334 4.5567 4.6532 4.7051 4.7178 4.7421 4.7737 4.8884 4.9825 5.2099 5.2551 5.2766 5.3235 5.4068 5.4452 5.5380 5.5489 5.9411 5.9786 6.4639 6.5190 6.6305 6.6428 6.8850 6.9325 7.1311 7.1558 7.2242 7.2488 8.2560 8.2942 9.6509 9.6721 10.0274 10.0773 10.6441 10.7208 10.9070 10.9219 k =-0.2255 0.3150 0.6917 ( 6953 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7927 -14.7926 -14.7481 -14.7480 -14.7459 -14.7458 -6.9749 -6.9742 -6.6591 -6.6542 -6.6082 -6.6054 -6.3694 -6.3623 -0.8300 -0.8260 1.5494 1.5591 1.8428 1.8771 1.9530 1.9646 2.3873 2.4021 2.9578 3.0326 3.0678 3.0716 3.1087 3.1446 3.2039 3.2564 3.2992 3.3503 3.4297 3.4717 3.5340 3.5784 4.5189 4.5300 4.5557 4.6439 4.7058 4.7131 4.7411 4.7724 4.8965 4.9980 5.2134 5.2582 5.2741 5.3087 5.4088 5.4346 5.5276 5.5409 5.9218 5.9637 6.4515 6.5071 6.6121 6.6221 6.8721 6.9179 7.1402 7.1621 7.2215 7.2486 8.2954 8.3350 9.6196 9.6490 10.0071 10.0467 10.6682 10.7347 10.9443 10.9542 k =-0.2344 0.3274 0.6765 ( 6957 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7458 -6.9791 -6.9785 -6.6635 -6.6586 -6.6128 -6.6102 -6.3579 -6.3506 -0.8225 -0.8182 1.5828 1.5932 1.8558 1.8872 1.9777 1.9959 2.3690 2.3814 2.9330 3.0067 3.0496 3.0629 3.0919 3.1279 3.2090 3.2634 3.3000 3.3585 3.4277 3.4666 3.5322 3.5748 4.5177 4.5296 4.5554 4.6356 4.7059 4.7081 4.7405 4.7720 4.9056 5.0134 5.2180 5.2625 5.2693 5.2921 5.4110 5.4254 5.5175 5.5334 5.9046 5.9507 6.4390 6.4937 6.5963 6.6038 6.8597 6.9029 7.1505 7.1694 7.2192 7.2485 8.3315 8.3722 9.5812 9.6153 9.9941 10.0270 10.6922 10.7488 10.9878 10.9951 k =-0.2432 0.3398 0.6613 ( 6951 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7458 -6.9830 -6.9824 -6.6674 -6.6625 -6.6169 -6.6146 -6.3473 -6.3399 -0.8155 -0.8110 1.6160 1.6269 1.8648 1.8939 2.0071 2.0304 2.3507 2.3606 2.9054 2.9755 3.0336 3.0544 3.0760 3.1113 3.2148 3.2709 3.3009 3.3673 3.4266 3.4621 3.5307 3.5714 4.5132 4.5314 4.5561 4.6285 4.7024 4.7060 4.7403 4.7721 4.9156 5.0287 5.2238 5.2592 5.2690 5.2768 5.4121 5.4179 5.5081 5.5264 5.8898 5.9398 6.4265 6.4791 6.5828 6.5881 6.8481 6.8882 7.1614 7.1774 7.2173 7.2485 8.3639 8.4054 9.5399 9.5754 9.9862 10.0145 10.7159 10.7634 11.0349 11.0440 k =-0.2521 0.3521 0.6460 ( 6948 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7458 -6.9866 -6.9859 -6.6710 -6.6661 -6.6205 -6.6185 -6.3378 -6.3303 -0.8092 -0.8044 1.6484 1.6598 1.8713 1.8987 2.0390 2.0660 2.3324 2.3401 2.8763 2.9421 3.0192 3.0448 3.0619 3.0953 3.2203 3.2780 3.3022 3.3762 3.4262 3.4585 3.5293 3.5682 4.5080 4.5326 4.5579 4.6230 4.6965 4.7056 4.7403 4.7725 4.9262 5.0438 5.2307 5.2467 5.2593 5.2794 5.4113 5.4116 5.4993 5.5194 5.8778 5.9311 6.4145 6.4640 6.5707 6.5756 6.8376 6.8742 7.1722 7.1855 7.2157 7.2486 8.3924 8.4345 9.4991 9.5335 9.9815 10.0062 10.7388 10.7783 11.0852 11.0975 k =-0.2609 0.3645 0.6308 ( 6946 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7458 -6.9897 -6.9890 -6.6741 -6.6692 -6.6236 -6.6219 -6.3294 -6.3219 -0.8036 -0.7986 1.6794 1.6913 1.8762 1.9024 2.0714 2.1010 2.3148 2.3206 2.8468 2.9078 3.0062 3.0337 3.0505 3.0805 3.2252 3.2841 3.3041 3.3847 3.4265 3.4558 3.5280 3.5653 4.5030 4.5327 4.5604 4.6193 4.6904 4.7052 4.7405 4.7731 4.9373 5.0586 5.2299 5.2399 5.2463 5.2887 5.4062 5.4084 5.4914 5.5121 5.8687 5.9247 6.4032 6.4491 6.5599 6.5660 6.8285 6.8611 7.1825 7.1933 7.2143 7.2487 8.4167 8.4592 9.4611 9.4928 9.9785 10.0002 10.7610 10.7933 11.1369 11.1518 k =-0.2698 0.3769 0.6156 ( 6946 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7458 -6.9925 -6.9917 -6.6767 -6.6719 -6.6263 -6.6248 -6.3222 -6.3146 -0.7988 -0.7935 1.7084 1.7205 1.8801 1.9052 2.1025 2.1341 2.2977 2.3033 2.8183 2.8739 2.9950 3.0217 3.0420 3.0672 3.2292 3.2884 3.3068 3.3925 3.4273 3.4540 3.5267 3.5627 4.4983 4.5318 4.5633 4.6174 4.6841 4.7047 4.7408 4.7736 4.9482 5.0731 5.2136 5.2324 5.2496 5.2994 5.4013 5.4033 5.4845 5.5046 5.8623 5.9202 6.3931 6.4349 6.5506 6.5586 6.8209 6.8492 7.1918 7.2006 7.2133 7.2491 8.4369 8.4796 9.4275 9.4556 9.9767 9.9956 10.7819 10.8079 11.1874 11.2029 k =-0.2786 0.3893 0.6004 ( 6946 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7458 -6.9947 -6.9940 -6.6789 -6.6741 -6.6285 -6.6273 -6.3163 -6.3086 -0.7947 -0.7893 1.7344 1.7467 1.8833 1.9073 2.1303 2.1637 2.2818 2.2900 2.7921 2.8415 2.9859 3.0100 3.0357 3.0557 3.2324 3.2911 3.3099 3.3991 3.4284 3.4532 3.5253 3.5604 4.4943 4.5305 4.5658 4.6173 4.6779 4.7042 4.7412 4.7741 4.9588 5.0874 5.1976 5.2192 5.2598 5.3108 5.3951 5.3975 5.4790 5.4972 5.8581 5.9174 6.3845 6.4221 6.5431 6.5527 6.8150 6.8386 7.1997 7.2067 7.2127 7.2495 8.4531 8.4958 9.3995 9.4234 9.9754 9.9918 10.8011 10.8213 11.2326 11.2451 k =-0.2875 0.4016 0.5852 ( 6949 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7458 -6.9965 -6.9958 -6.6807 -6.6758 -6.6302 -6.6292 -6.3116 -6.3039 -0.7915 -0.7860 1.7565 1.7689 1.8860 1.9088 2.1524 2.1881 2.2683 2.2816 2.7699 2.8122 2.9789 2.9997 3.0313 3.0461 3.2348 3.2926 3.3129 3.4041 3.4296 3.4531 3.5240 3.5586 4.4910 4.5290 4.5678 4.6187 4.6720 4.7038 4.7415 4.7746 4.9683 5.1014 5.1827 5.2064 5.2703 5.3226 5.3862 5.3927 5.4747 5.4903 5.8558 5.9158 6.3777 6.4113 6.5374 6.5482 6.8110 6.8297 7.2058 7.2103 7.2141 7.2500 8.4653 8.5079 9.3777 9.3971 9.9745 9.9889 10.8178 10.8327 11.2679 11.2732 k =-0.2963 0.4140 0.5700 ( 6955 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7458 -6.9978 -6.9970 -6.6819 -6.6770 -6.6314 -6.6306 -6.3083 -6.3006 -0.7892 -0.7836 1.7734 1.7859 1.8881 1.9097 2.1666 2.2056 2.2593 2.2785 2.7535 2.7879 2.9743 2.9916 3.0288 3.0385 3.2364 3.2934 3.3153 3.4076 3.4307 3.4536 3.5229 3.5573 4.4887 4.5277 4.5691 4.6209 4.6668 4.7035 4.7418 4.7749 4.9760 5.1151 5.1692 5.1952 5.2800 5.3341 5.3764 5.3882 5.4718 5.4845 5.8546 5.9150 6.3729 6.4029 6.5334 6.5451 6.8086 6.8225 7.2093 7.2115 7.2175 7.2505 8.4739 8.5164 9.3624 9.3775 9.9739 9.9868 10.8313 10.8412 11.2858 11.2898 k =-0.3052 0.4264 0.5548 ( 6955 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7458 -6.9985 -6.9978 -6.6826 -6.6778 -6.6321 -6.6315 -6.3063 -6.2985 -0.7879 -0.7822 1.7841 1.7966 1.8895 1.9101 2.1733 2.2148 2.2557 2.2787 2.7438 2.7711 2.9717 2.9863 3.0282 3.0330 3.2374 3.2938 3.3168 3.4096 3.4314 3.4541 3.5221 3.5565 4.4872 4.5269 4.5699 4.6230 4.6631 4.7034 4.7420 4.7751 4.9811 5.1280 5.1570 5.1872 5.2873 5.3448 5.3667 5.3844 5.4700 5.4807 5.8541 5.9148 6.3701 6.3975 6.5310 6.5432 6.8079 6.8173 7.2099 7.2133 7.2201 7.2510 8.4789 8.5214 9.3536 9.3652 9.9735 9.9855 10.8408 10.8458 11.2901 11.2985 k =-0.3140 0.4387 0.5395 ( 6950 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7458 -6.9988 -6.9981 -6.6829 -6.6781 -6.6323 -6.6318 -6.3056 -6.2978 -0.7874 -0.7817 1.7878 1.8003 1.8900 1.9102 2.1751 2.2173 2.2553 2.2793 2.7409 2.7648 2.9709 2.9845 3.0289 3.0302 3.2377 3.2940 3.3174 3.4103 3.4316 3.4544 3.5218 3.5563 4.4867 4.5266 4.5701 4.6238 4.6618 4.7033 4.7421 4.7752 4.9828 5.1361 5.1494 5.1843 5.2901 5.3519 5.3599 5.3829 5.4694 5.4793 5.8541 5.9147 6.3692 6.3956 6.5302 6.5425 6.8081 6.8150 7.2100 7.2140 7.2210 7.2512 8.4806 8.5230 9.3508 9.3609 9.9734 9.9851 10.8452 10.8462 11.2909 11.3006 k =-0.3140 0.4387 0.5395 ( 6950 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7458 -6.9988 -6.9981 -6.6829 -6.6781 -6.6323 -6.6318 -6.3056 -6.2978 -0.7874 -0.7817 1.7878 1.8003 1.8900 1.9102 2.1751 2.2173 2.2553 2.2793 2.7409 2.7648 2.9709 2.9845 3.0289 3.0302 3.2377 3.2940 3.3174 3.4103 3.4316 3.4544 3.5218 3.5563 4.4867 4.5266 4.5701 4.6238 4.6618 4.7033 4.7421 4.7752 4.9828 5.1361 5.1494 5.1843 5.2901 5.3519 5.3599 5.3829 5.4694 5.4793 5.8541 5.9147 6.3692 6.3956 6.5302 6.5425 6.8081 6.8150 7.2100 7.2140 7.2210 7.2512 8.4806 8.5230 9.3508 9.3609 9.9734 9.9851 10.8452 10.8462 11.2909 11.3006 k =-0.3051 0.4262 0.5241 ( 6954 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7458 -7.0000 -6.9993 -6.6689 -6.6637 -6.6444 -6.6436 -6.3047 -6.2968 -0.7824 -0.7767 1.7613 1.7754 1.9219 1.9443 2.1776 2.1985 2.2578 2.2590 2.7203 2.7400 2.9533 2.9616 3.0110 3.0116 3.2412 3.2917 3.3329 3.4057 3.4251 3.4588 3.5156 3.5494 4.4899 4.5284 4.5654 4.6354 4.6624 4.7117 4.7445 4.7852 4.9938 5.1305 5.1703 5.2078 5.3032 5.3375 5.3467 5.3935 5.4648 5.4655 5.8401 5.9019 6.3903 6.4130 6.5370 6.5523 6.8091 6.8162 7.2073 7.2163 7.2268 7.2528 8.4824 8.5230 9.3776 9.3889 9.9949 10.0043 10.9468 10.9548 11.3188 11.3279 k =-0.2961 0.4137 0.5087 ( 6962 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7480 -14.7480 -14.7459 -14.7458 -7.0046 -7.0040 -6.6562 -6.6528 -6.6501 -6.6490 -6.3039 -6.2958 -0.7785 -0.7731 1.7359 1.7522 1.9539 1.9780 2.1671 2.1708 2.2569 2.2741 2.6977 2.7127 2.9351 2.9393 2.9935 2.9955 3.2436 3.2892 3.3471 3.4013 3.4198 3.4633 3.5094 3.5428 4.4936 4.5304 4.5603 4.6465 4.6623 4.7202 4.7476 4.7939 5.0023 5.1197 5.1905 5.2300 5.3161 5.3163 5.3465 5.4069 5.4543 5.4610 5.8263 5.8887 6.4110 6.4289 6.5426 6.5610 6.8125 6.8196 7.2008 7.2148 7.2309 7.2523 8.4869 8.5253 9.4057 9.4179 10.0117 10.0182 11.0332 11.0480 11.3423 11.3509 k =-0.2871 0.4011 0.4933 ( 6954 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7480 -14.7480 -14.7459 -14.7458 -7.0130 -7.0125 -6.6571 -6.6569 -6.6389 -6.6342 -6.3031 -6.2948 -0.7760 -0.7707 1.7122 1.7309 1.9847 2.0100 2.1440 2.1470 2.2708 2.2953 2.6728 2.6833 2.9159 2.9181 2.9766 2.9822 3.2453 3.2868 3.3592 3.3969 3.4163 3.4677 3.5034 3.5367 4.4977 4.5327 4.5552 4.6568 4.6616 4.7289 4.7514 4.8010 5.0073 5.1044 5.2091 5.2506 5.3003 5.3269 5.3543 5.4200 5.4451 5.4578 5.8126 5.8752 6.4311 6.4433 6.5470 6.5685 6.8185 6.8254 7.1907 7.2085 7.2334 7.2506 8.4943 8.5300 9.4349 9.4480 10.0248 10.0283 11.0979 11.1188 11.3606 11.3687 k =-0.2782 0.3886 0.4779 ( 6950 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7480 -14.7480 -14.7459 -14.7458 -7.0251 -7.0247 -6.6575 -6.6569 -6.6241 -6.6192 -6.3023 -6.2939 -0.7747 -0.7696 1.6903 1.7114 2.0118 2.0370 2.1220 2.1278 2.2938 2.3200 2.6456 2.6523 2.8960 2.8980 2.9607 2.9717 3.2463 3.2844 3.3679 3.3925 3.4156 3.4712 3.4974 3.5313 4.5020 4.5352 4.5501 4.6602 4.6663 4.7374 4.7558 4.8065 5.0079 5.0855 5.2251 5.2692 5.2927 5.3347 5.3697 5.4306 5.4373 5.4565 5.7992 5.8614 6.4505 6.4559 6.5500 6.5748 6.8271 6.8334 7.1773 7.1970 7.2343 7.2485 8.5044 8.5371 9.4650 9.4787 10.0354 10.0361 11.1368 11.1621 11.3733 11.3809 k =-0.2692 0.3761 0.4625 ( 6940 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7480 -14.7480 -14.7459 -14.7458 -7.0406 -7.0402 -6.6541 -6.6533 -6.6091 -6.6040 -6.3015 -6.2931 -0.7748 -0.7700 1.6705 1.6940 2.0283 2.0485 2.1116 2.1233 2.3222 2.3477 2.6164 2.6202 2.8757 2.8791 2.9460 2.9637 3.2470 3.2822 3.3724 3.3881 3.4184 3.4733 3.4914 3.5271 4.5067 4.5380 4.5450 4.6583 4.6748 4.7459 4.7605 4.8102 5.0037 5.0644 5.2378 5.2859 5.2944 5.3416 5.3886 5.4313 5.4342 5.4610 5.7863 5.8473 6.4663 6.4694 6.5513 6.5800 6.8382 6.8438 7.1611 7.1806 7.2339 7.2461 8.5169 8.5466 9.4960 9.5101 10.0429 10.0448 11.1492 11.1778 11.3797 11.3868 k =-0.2602 0.3635 0.4471 ( 6952 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7480 -14.7480 -14.7459 -14.7458 -7.0589 -7.0586 -6.6475 -6.6466 -6.5939 -6.5887 -6.3008 -6.2923 -0.7762 -0.7716 1.6527 1.6787 2.0262 2.0378 2.1210 2.1417 2.3547 2.3777 2.5854 2.5877 2.8554 2.8611 2.9328 2.9577 3.2474 3.2800 3.3732 3.3835 3.4240 3.4732 3.4855 3.5245 4.5114 4.5401 4.5411 4.6560 4.6824 4.7543 4.7654 4.8122 4.9949 5.0420 5.2489 5.3006 5.3034 5.3481 5.4068 5.4292 5.4304 5.4711 5.7739 5.8328 6.4739 6.4873 6.5508 6.5844 6.8519 6.8565 7.1429 7.1602 7.2324 7.2436 8.5313 8.5578 9.5275 9.5420 10.0500 10.0542 11.1371 11.1684 11.3795 11.3862 k =-0.2512 0.3510 0.4316 ( 6962 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7480 -14.7480 -14.7459 -14.7458 -7.0794 -7.0792 -6.6381 -6.6371 -6.5787 -6.5734 -6.3001 -6.2917 -0.7789 -0.7746 1.6372 1.6655 2.0119 2.0178 2.1437 2.1705 2.3905 2.4089 2.5530 2.5564 2.8357 2.8441 2.9212 2.9533 3.2477 3.2781 3.3717 3.3789 3.4308 3.4706 3.4799 3.5238 4.5160 4.5357 4.5442 4.6534 4.6889 4.7625 4.7704 4.8124 4.9826 5.0192 5.2608 5.3133 5.3157 5.3525 5.4162 5.4232 5.4394 5.4825 5.7624 5.8182 6.4776 6.5036 6.5491 6.5885 6.8681 6.8716 7.1235 7.1368 7.2304 7.2410 8.5471 8.5704 9.5596 9.5741 10.0584 10.0643 11.1031 11.1371 11.3724 11.3791 k =-0.2423 0.3385 0.4162 ( 6962 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7480 -14.7480 -14.7459 -14.7458 -7.1018 -7.1016 -6.6266 -6.6255 -6.5634 -6.5580 -6.2995 -6.2910 -0.7828 -0.7789 1.6239 1.6545 1.9943 1.9961 2.1706 2.2024 2.4291 2.4370 2.5196 2.5306 2.8170 2.8279 2.9113 2.9503 3.2480 3.2763 3.3692 3.3742 3.4369 3.4656 3.4752 3.5246 4.5196 4.5325 4.5476 4.6505 4.6944 4.7704 4.7753 4.8107 4.9683 4.9968 5.2749 5.3239 5.3284 5.3529 5.4140 5.4211 5.4583 5.4935 5.7521 5.8036 6.4766 6.5153 6.5486 6.5933 6.8868 6.8890 7.1040 7.1117 7.2282 7.2388 8.5635 8.5836 9.5921 9.6064 10.0689 10.0760 11.0502 11.0869 11.3584 11.3656 k =-0.2333 0.3259 0.4008 ( 6972 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7925 -14.7480 -14.7480 -14.7459 -14.7458 -7.1253 -7.1252 -6.6133 -6.6121 -6.5482 -6.5428 -6.2989 -6.2905 -0.7880 -0.7844 1.6130 1.6457 1.9750 1.9767 2.1981 2.2354 2.4464 2.4690 2.4863 2.5259 2.7998 2.8127 2.9029 2.9483 3.2483 3.2746 3.3663 3.3695 3.4405 3.4586 3.4725 3.5265 4.5199 4.5328 4.5512 4.6474 4.6989 4.7780 4.7801 4.8071 4.9531 4.9751 5.2912 5.3311 5.3395 5.3496 5.4032 5.4295 5.4780 5.5034 5.7434 5.7892 6.4698 6.5160 6.5554 6.5993 6.9076 6.9089 7.0852 7.0859 7.2264 7.2374 8.5795 8.5966 9.6248 9.6389 10.0819 10.0896 10.9813 11.0208 11.3375 11.3459 k =-0.2243 0.3134 0.3854 ( 6988 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7458 -7.1497 -7.1496 -6.5987 -6.5975 -6.5331 -6.5276 -6.2983 -6.2900 -0.7942 -0.7910 1.6043 1.6392 1.9553 1.9604 2.2246 2.2686 2.4280 2.4502 2.5132 2.5516 2.7845 2.7986 2.8961 2.9472 3.2486 3.2731 3.3634 3.3648 3.4401 3.4503 3.4729 3.5289 4.5168 4.5366 4.5548 4.6439 4.7023 4.7844 4.7853 4.8016 4.9382 4.9545 5.3087 5.3294 5.3475 5.3485 5.3915 5.4416 5.4966 5.5123 5.7367 5.7754 6.4572 6.5061 6.5690 6.6068 6.9299 6.9317 7.0603 7.0683 7.2255 7.2372 8.5943 8.6085 9.6578 9.6715 10.0978 10.1054 10.8995 10.9418 11.3099 11.3204 k =-0.2153 0.3008 0.3700 ( 6988 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7458 -7.1745 -7.1744 -6.5831 -6.5819 -6.5181 -6.5126 -6.2978 -6.2896 -0.8015 -0.7986 1.5981 1.6351 1.9371 1.9456 2.2486 2.3015 2.4004 2.4159 2.5570 2.5895 2.7717 2.7861 2.8905 2.9467 3.2490 3.2717 3.3600 3.3607 3.4359 3.4408 3.4762 3.5314 4.5127 4.5416 4.5585 4.6404 4.7046 4.7876 4.7922 4.7951 4.9241 4.9352 5.3179 5.3258 5.3510 5.3513 5.3808 5.4563 5.5133 5.5202 5.7323 5.7629 6.4389 6.4900 6.5848 6.6157 6.9540 6.9565 7.0360 7.0540 7.2261 7.2388 8.6068 8.6183 9.6910 9.7043 10.1168 10.1233 10.8077 10.8530 11.2758 11.2891 k =-0.2064 0.2883 0.3546 ( 6988 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7458 -7.1995 -7.1994 -6.5668 -6.5656 -6.5033 -6.4979 -6.2974 -6.2893 -0.8097 -0.8071 1.5943 1.6332 1.9208 1.9327 2.2680 2.3334 2.3731 2.3819 2.6019 2.6315 2.7620 2.7757 2.8859 2.9466 3.2496 3.2705 3.3552 3.3582 3.4294 3.4305 3.4807 3.5339 4.5083 4.5470 4.5622 4.6367 4.7057 4.7835 4.7938 4.7987 4.9112 4.9176 5.3017 5.3351 5.3492 5.3528 5.3781 5.4728 5.5275 5.5277 5.7305 5.7522 6.4157 6.4692 6.6012 6.6258 6.9795 6.9813 7.0140 7.0447 7.2286 7.2426 8.6159 8.6250 9.7244 9.7372 10.1386 10.1431 10.7084 10.7571 11.2354 11.2524 k =-0.1974 0.2758 0.3391 ( 6988 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7458 -7.2244 -7.2244 -6.5501 -6.5488 -6.4887 -6.4833 -6.2970 -6.2891 -0.8187 -0.8165 1.5929 1.6336 1.9063 1.9217 2.2773 2.3450 2.3531 2.3674 2.6472 2.6752 2.7562 2.7678 2.8823 2.9467 3.2503 3.2692 3.3505 3.3561 3.4192 3.4217 3.4854 3.5362 4.5039 4.5526 4.5660 4.6327 4.7057 4.7736 4.7963 4.8046 4.8995 4.9016 5.2826 5.3262 5.3441 5.3516 5.3907 5.4906 5.5346 5.5392 5.7312 5.7444 6.3886 6.4446 6.6177 6.6368 6.9921 6.9978 7.0103 7.0470 7.2335 7.2490 8.6206 8.6278 9.7580 9.7705 10.1632 10.1637 10.6040 10.6573 11.1892 11.2102 k =-0.1884 0.2632 0.3237 ( 6992 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7459 -7.2491 -7.2491 -6.5330 -6.5318 -6.4744 -6.4691 -6.2966 -6.2889 -0.8284 -0.8265 1.5939 1.6364 1.8936 1.9125 2.2686 2.3131 2.3484 2.3949 2.6921 2.7183 2.7561 2.7634 2.8797 2.9469 3.2513 3.2680 3.3459 3.3543 3.4073 3.4132 3.4900 3.5384 4.4997 4.5581 4.5697 4.6286 4.7046 4.7626 4.7985 4.8099 4.8875 4.8888 5.2609 5.3081 5.3335 5.3466 5.4117 5.5094 5.5417 5.5481 5.7343 5.7399 6.3584 6.4166 6.6343 6.6485 6.9755 7.0005 7.0396 7.0680 7.2409 7.2583 8.6201 8.6256 9.7918 9.8040 10.1833 10.1902 10.4965 10.5572 11.1376 11.1629 k =-0.1795 0.2507 0.3083 ( 6984 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7459 -7.2734 -7.2733 -6.5159 -6.5146 -6.4604 -6.4552 -6.2963 -6.2888 -0.8387 -0.8371 1.5972 1.6413 1.8827 1.9051 2.2463 2.2807 2.3546 2.4211 2.7348 2.7470 2.7640 2.7749 2.8784 2.9472 3.2523 3.2667 3.3413 3.3529 3.3948 3.4044 3.4943 3.5404 4.4957 4.5635 4.5734 4.6243 4.7023 4.7511 4.8001 4.8145 4.8752 4.8789 5.2370 5.2866 5.3173 5.3372 5.4358 5.5289 5.5489 5.5548 5.7392 5.7395 6.3262 6.3860 6.6509 6.6606 6.9608 6.9967 7.0715 7.0993 7.2513 7.2707 8.6134 8.6178 9.8253 9.8378 10.1967 10.2192 10.3879 10.4635 11.0813 11.1105 k =-0.1705 0.2382 0.2929 ( 6980 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7459 -7.2970 -7.2970 -6.4988 -6.4976 -6.4468 -6.4418 -6.2961 -6.2888 -0.8494 -0.8481 1.6029 1.6485 1.8737 1.8995 2.2193 2.2491 2.3630 2.4440 2.7568 2.7604 2.7827 2.8165 2.8799 2.9473 3.2537 3.2654 3.3369 3.3519 3.3817 3.3954 3.4984 3.5424 4.4919 4.5689 4.5769 4.6198 4.6989 4.7398 4.8008 4.8184 4.8648 4.8694 5.2111 5.2630 5.2967 5.3234 5.4612 5.5477 5.5560 5.5612 5.7421 5.7467 6.2928 6.3536 6.6673 6.6730 6.9484 6.9921 7.1051 7.1346 7.2647 7.2861 8.6001 8.6037 9.8578 9.8713 10.1892 10.2481 10.2817 10.3922 11.0213 11.0535 k =-0.1615 0.2256 0.2775 ( 6978 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7459 -7.3200 -7.3200 -6.4819 -6.4807 -6.4336 -6.4287 -6.2958 -6.2888 -0.8605 -0.8594 1.6109 1.6578 1.8663 1.8956 2.1914 2.2187 2.3702 2.4631 2.7671 2.7702 2.8131 2.8605 2.8892 2.9474 3.2553 3.2639 3.3326 3.3512 3.3683 3.3866 3.5023 3.5443 4.4884 4.5741 4.5803 4.6152 4.6948 4.7288 4.8005 4.8211 4.8563 4.8601 5.1835 5.2377 5.2726 5.3051 5.4874 5.5581 5.5632 5.5755 5.7479 5.7553 6.2590 6.3200 6.6836 6.6855 6.9383 6.9883 7.1401 7.1720 7.2812 7.3047 8.5797 8.5831 9.8869 9.9030 10.1407 10.1751 10.2822 10.3654 10.9589 10.9929 k =-0.1525 0.2131 0.2621 ( 6970 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7459 -7.3422 -7.3422 -6.4653 -6.4642 -6.4208 -6.4161 -6.2956 -6.2889 -0.8717 -0.8709 1.6212 1.6691 1.8606 1.8931 2.1638 2.1894 2.3756 2.4784 2.7795 2.7821 2.8292 2.9023 2.9133 2.9486 3.2574 3.2622 3.3284 3.3508 3.3550 3.3785 3.5062 3.5462 4.4853 4.5792 4.5836 4.6105 4.6899 4.7186 4.7992 4.8225 4.8499 4.8508 5.1543 5.2113 5.2458 5.2830 5.5134 5.5618 5.5708 5.5968 5.7561 5.7653 6.2254 6.2860 6.6981 6.6997 6.9305 6.9857 7.1764 7.2106 7.3009 7.3260 8.5522 8.5559 9.9045 9.9266 10.0669 10.0842 10.3132 10.3735 10.8958 10.9299 k =-0.1436 0.2006 0.2467 ( 6974 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7925 -14.7925 -14.7481 -14.7480 -14.7459 -14.7459 -7.3635 -7.3635 -6.4492 -6.4481 -6.4085 -6.4041 -6.2954 -6.2890 -0.8830 -0.8824 1.6335 1.6823 1.8563 1.8919 2.1371 2.1615 2.3795 2.4903 2.7932 2.7962 2.8327 2.9313 2.9486 2.9607 3.2599 3.2602 3.3239 3.3424 3.3505 3.3718 3.5101 3.5483 4.4826 4.5841 4.5866 4.6058 4.6845 4.7091 4.7967 4.8220 4.8416 4.8456 5.1241 5.1840 5.2171 5.2575 5.5374 5.5643 5.5804 5.6197 5.7659 5.7762 6.1925 6.2520 6.7105 6.7151 6.9250 6.9844 7.2136 7.2495 7.3238 7.3498 8.5178 8.5220 9.8821 9.9092 10.0218 10.0343 10.3435 10.3950 10.8343 10.8665 k =-0.1346 0.1880 0.2312 ( 6968 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7925 -14.7925 -14.7481 -14.7480 -14.7459 -14.7459 -7.3839 -7.3839 -6.4335 -6.4325 -6.3968 -6.3926 -6.2953 -6.2892 -0.8943 -0.8939 1.6478 1.6973 1.8535 1.8917 2.1117 2.1352 2.3827 2.4996 2.8071 2.8097 2.8323 2.9361 2.9872 2.9940 3.2578 3.2633 3.3178 3.3328 3.3499 3.3679 3.5142 3.5506 4.4804 4.5888 4.5893 4.6014 4.6788 4.7006 4.7928 4.8196 4.8322 4.8432 5.0933 5.1565 5.1874 5.2297 5.5558 5.5666 5.5953 5.6435 5.7768 5.7880 6.1608 6.2186 6.7225 6.7298 6.9221 6.9847 7.2517 7.2878 7.3502 7.3757 8.4766 8.4818 9.8081 9.8313 10.0328 10.0367 10.3713 10.4206 10.7771 10.8048 k =-0.1256 0.1755 0.2158 ( 6964 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7925 -14.7925 -14.7481 -14.7480 -14.7459 -14.7459 -7.4032 -7.4032 -6.4185 -6.4175 -6.3856 -6.3817 -6.2952 -6.2894 -0.9054 -0.9051 1.6640 1.7137 1.8518 1.8924 2.0876 2.1104 2.3857 2.5075 2.8135 2.8194 2.8384 2.9351 3.0251 3.0297 3.2549 3.2673 3.3094 3.3279 3.3483 3.3682 3.5185 3.5531 4.4787 4.5908 4.5932 4.5980 4.6731 4.6929 4.7875 4.8159 4.8230 4.8418 5.0623 5.1290 5.1574 5.2004 5.5665 5.5687 5.6177 5.6678 5.7884 5.8003 6.1304 6.1862 6.7338 6.7430 6.9224 6.9871 7.2902 7.3246 7.3803 7.4032 8.4295 8.4359 9.7177 9.7387 10.0554 10.0563 10.3949 10.4461 10.7273 10.7477 k =-0.1166 0.1630 0.2004 ( 6958 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7925 -14.7925 -14.7481 -14.7480 -14.7459 -14.7459 -7.4214 -7.4214 -6.4041 -6.4032 -6.3750 -6.3714 -6.2950 -6.2897 -0.9162 -0.9161 1.6818 1.7314 1.8513 1.8936 2.0652 2.0874 2.3893 2.5147 2.8069 2.8288 2.8511 2.9329 3.0599 3.0622 3.2514 3.2705 3.3024 3.3270 3.3461 3.3738 3.5233 3.5560 4.4776 4.5894 4.5972 4.5975 4.6675 4.6860 4.7806 4.8114 4.8140 4.8405 5.0317 5.1019 5.1279 5.1703 5.5708 5.5724 5.6441 5.6925 5.8004 5.8129 6.1018 6.1551 6.7440 6.7542 6.9264 6.9919 7.3289 7.3590 7.4139 7.4319 8.3769 8.3848 9.6260 9.6455 10.0741 10.0781 10.4122 10.4689 10.6891 10.6988 k =-0.1077 0.1504 0.1850 ( 6964 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7925 -14.7924 -14.7481 -14.7481 -14.7459 -14.7459 -7.4384 -7.4384 -6.3905 -6.3897 -6.3650 -6.3617 -6.2949 -6.2900 -0.9267 -0.9267 1.7010 1.7501 1.8518 1.8952 2.0445 2.0663 2.3941 2.5220 2.7964 2.8339 2.8628 2.9303 3.0901 3.0903 3.2474 3.2691 3.3020 3.3302 3.3439 3.3845 3.5284 3.5591 4.4772 4.5863 4.5989 4.6009 4.6622 4.6795 4.7719 4.8054 4.8064 4.8386 5.0022 5.0751 5.0997 5.1402 5.5728 5.5762 5.6719 5.7173 5.8126 5.8258 6.0748 6.1255 6.7527 6.7626 6.9350 6.9997 7.3673 7.3913 7.4500 7.4612 8.3198 8.3292 9.5371 9.5550 10.0870 10.0937 10.4219 10.4857 10.6627 10.6655 k =-0.0987 0.1379 0.1696 ( 6962 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7925 -14.7924 -14.7481 -14.7481 -14.7459 -14.7459 -7.4543 -7.4543 -6.3778 -6.3771 -6.3556 -6.3527 -6.2948 -6.2903 -0.9368 -0.9367 1.7214 1.7692 1.8531 1.8967 2.0259 2.0474 2.4006 2.5301 2.7838 2.8339 2.8707 2.9270 3.1137 3.1149 3.2430 3.2629 3.3062 3.3407 3.3419 3.4004 3.5339 3.5625 4.4776 4.5832 4.6006 4.6041 4.6574 4.6734 4.7619 4.7976 4.8008 4.8358 4.9746 5.0486 5.0738 5.1107 5.5746 5.5788 5.6999 5.7421 5.8247 5.8386 6.0499 6.0976 6.7595 6.7680 6.9485 7.0109 7.4053 7.4218 7.4873 7.4906 8.2589 8.2700 9.4524 9.4686 10.0910 10.1004 10.4258 10.4940 10.6435 10.6568 k =-0.0897 0.1254 0.1542 ( 6960 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7925 -14.7924 -14.7481 -14.7481 -14.7459 -14.7459 -7.4689 -7.4689 -6.3659 -6.3654 -6.3469 -6.3443 -6.2947 -6.2907 -0.9463 -0.9461 1.7425 1.7882 1.8550 1.8979 2.0094 2.0307 2.4091 2.5394 2.7695 2.8291 2.8735 2.9222 3.1330 3.1348 3.2386 3.2555 3.3097 3.3400 3.3603 3.4209 3.5397 3.5661 4.4788 4.5807 4.6022 4.6067 4.6533 4.6673 4.7508 4.7905 4.7942 4.8318 4.9494 5.0223 5.0508 5.0823 5.5763 5.5808 5.7272 5.7664 5.8366 5.8513 6.0269 6.0716 6.7644 6.7705 6.9671 7.0258 7.4422 7.4511 7.5196 7.5245 8.1952 8.2080 9.3728 9.3872 10.0846 10.0969 10.4281 10.4952 10.6407 10.6593 k =-0.0808 0.1128 0.1387 ( 6968 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7482 -14.7481 -14.7459 -14.7459 -7.4823 -7.4822 -6.3551 -6.3547 -6.3388 -6.3367 -6.2946 -6.2910 -0.9551 -0.9549 1.7639 1.8066 1.8576 1.8985 1.9955 2.0167 2.4200 2.5503 2.7539 2.8202 2.8705 2.9148 3.1492 3.1508 3.2345 3.2486 3.3118 3.3381 3.3863 3.4445 3.5457 3.5699 4.4809 4.5790 4.6036 4.6084 4.6502 4.6607 4.7391 4.7844 4.7862 4.8267 4.9275 4.9964 5.0308 5.0556 5.5778 5.5822 5.7535 5.7899 5.8482 5.8637 6.0061 6.0475 6.7673 6.7707 6.9902 7.0447 7.4775 7.4791 7.5478 7.5603 8.1296 8.1440 9.2990 9.3115 10.0691 10.0837 10.4323 10.4943 10.6482 10.6681 k =-0.0718 0.1003 0.1233 ( 6976 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7482 -14.7481 -14.7459 -14.7459 -7.4943 -7.4943 -6.3454 -6.3451 -6.3315 -6.3298 -6.2945 -6.2914 -0.9632 -0.9630 1.7851 1.8233 1.8608 1.8981 1.9844 2.0056 2.4333 2.5630 2.7374 2.8081 2.8618 2.9041 3.1631 3.1642 3.2308 3.2425 3.3133 3.3361 3.4154 3.4696 3.5519 3.5738 4.4839 4.5782 4.6048 4.6093 4.6482 4.6533 4.7275 4.7760 4.7796 4.8210 4.9091 4.9715 5.0136 5.0312 5.5792 5.5832 5.7780 5.8121 5.8593 5.8757 5.9874 6.0255 6.7683 6.7693 7.0175 7.0674 7.5056 7.5106 7.5747 7.5941 8.0630 8.0791 9.2316 9.2420 10.0470 10.0630 10.4392 10.4950 10.6601 10.6794 k =-0.0628 0.0877 0.1079 ( 6976 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7482 -14.7481 -14.7459 -14.7459 -7.5049 -7.5049 -6.3368 -6.3366 -6.3248 -6.3235 -6.2944 -6.2917 -0.9705 -0.9703 1.8054 1.8374 1.8645 1.8967 1.9767 1.9978 2.4492 2.5775 2.7204 2.7940 2.8480 2.8898 3.1755 3.1759 3.2277 3.2374 3.3148 3.3342 3.4455 3.4947 3.5581 3.5777 4.4881 4.5783 4.6058 4.6092 4.6450 4.6474 4.7163 4.7632 4.7765 4.8159 4.8938 4.9478 4.9990 5.0095 5.5803 5.5839 5.8005 5.8325 5.8700 5.8870 5.9712 6.0058 6.7667 6.7678 7.0483 7.0937 7.5303 7.5407 7.6002 7.6250 7.9967 8.0142 9.1708 9.1793 10.0217 10.0379 10.4482 10.4976 10.6730 10.6909 k =-0.0538 0.0752 0.0925 ( 6984 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7482 -14.7481 -14.7459 -14.7459 -7.5142 -7.5142 -6.3294 -6.3293 -6.3188 -6.3179 -6.2943 -6.2920 -0.9770 -0.9767 1.8240 1.8481 1.8686 1.8942 1.9725 1.9936 2.4674 2.5940 2.7036 2.7786 2.8302 2.8723 3.1864 3.1865 3.2251 3.2331 3.3161 3.3323 3.4746 3.5182 3.5643 3.5815 4.4933 4.5790 4.6066 4.6083 4.6361 4.6478 4.7060 4.7480 4.7752 4.8121 4.8806 4.9256 4.9866 4.9910 5.5813 5.5844 5.8203 5.8501 5.8804 5.8976 5.9576 5.9884 6.7636 6.7661 7.0820 7.1229 7.5528 7.5668 7.6242 7.6523 7.9318 7.9505 9.1173 9.1239 9.9961 10.0114 10.4580 10.5012 10.6852 10.7013 k =-0.0449 0.0627 0.0771 ( 6987 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7482 -14.7481 -14.7459 -14.7459 -7.5221 -7.5221 -6.3233 -6.3231 -6.3136 -6.3131 -6.2941 -6.2924 -0.9825 -0.9823 1.8400 1.8554 1.8727 1.8909 1.9718 1.9926 2.4877 2.6122 2.6872 2.7631 2.8095 2.8520 3.1957 3.1962 3.2230 3.2296 3.3174 3.3305 3.5014 3.5386 3.5708 3.5851 4.4996 4.5799 4.6069 4.6070 4.6275 4.6490 4.6967 4.7312 4.7760 4.8101 4.8685 4.9051 4.9761 4.9762 5.5822 5.5848 5.8372 5.8638 5.8911 5.9073 5.9468 5.9734 6.7605 6.7637 7.1179 7.1543 7.5725 7.5877 7.6466 7.6756 7.8700 7.8897 9.0712 9.0761 9.9722 9.9859 10.4677 10.5044 10.6960 10.7101 k =-0.0359 0.0501 0.0617 ( 6975 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7482 -14.7481 -14.7459 -14.7459 -7.5286 -7.5286 -6.3184 -6.3182 -6.3091 -6.3089 -6.2940 -6.2927 -0.9871 -0.9869 1.8527 1.8602 1.8758 1.8873 1.9745 1.9941 2.5099 2.6318 2.6719 2.7485 2.7874 2.8294 3.2037 3.2043 3.2216 3.2267 3.3188 3.3289 3.5249 3.5542 3.5781 3.5887 4.5071 4.5796 4.6053 4.6059 4.6222 4.6509 4.6885 4.7139 4.7788 4.8099 4.8566 4.8866 4.9649 4.9678 5.5830 5.5850 5.8508 5.8730 5.9020 5.9158 5.9390 5.9611 6.7576 6.7610 7.1548 7.1864 7.5884 7.6026 7.6672 7.6943 7.8135 7.8335 9.0331 9.0364 9.9515 9.9630 10.4766 10.5067 10.7052 10.7169 k =-0.0269 0.0376 0.0462 ( 6983 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7482 -14.7481 -14.7459 -14.7459 -7.5337 -7.5337 -6.3147 -6.3145 -6.3056 -6.3055 -6.2938 -6.2929 -0.9906 -0.9905 1.8617 1.8635 1.8778 1.8839 1.9795 1.9964 2.5332 2.6477 2.6624 2.7358 2.7656 2.8053 3.2101 3.2108 3.2206 3.2244 3.3200 3.3273 3.5439 3.5641 3.5863 3.5921 4.5156 4.5760 4.6030 4.6037 4.6231 4.6531 4.6814 4.6969 4.7836 4.8115 4.8448 4.8699 4.9572 4.9610 5.5835 5.5851 5.8612 5.8778 5.9122 5.9226 5.9344 5.9513 6.7553 6.7583 7.1910 7.2172 7.5993 7.6104 7.6853 7.7077 7.7662 7.7850 9.0030 9.0052 9.9349 9.9438 10.4845 10.5076 10.7128 10.7218 k =-0.0179 0.0251 0.0308 ( 6979 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7482 -14.7481 -14.7459 -14.7459 -7.5373 -7.5373 -6.3120 -6.3119 -6.3030 -6.3030 -6.2937 -6.2931 -0.9932 -0.9931 1.8659 1.8672 1.8789 1.8812 1.9856 1.9982 2.5571 2.6381 2.6798 2.7264 2.7462 2.7801 3.2148 3.2153 3.2203 3.2227 3.3212 3.3259 3.5579 3.5694 3.5937 3.5955 4.5252 4.5682 4.6011 4.6023 4.6287 4.6553 4.6754 4.6812 4.7902 4.8145 4.8339 4.8553 4.9525 4.9558 5.5840 5.5850 5.8687 5.8795 5.9208 5.9275 5.9325 5.9439 6.7537 6.7560 7.2239 7.2433 7.6035 7.6109 7.7002 7.7150 7.7335 7.7477 8.9814 8.9827 9.9231 9.9292 10.4913 10.5070 10.7186 10.7247 k =-0.0090 0.0125 0.0154 ( 6987 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7482 -14.7481 -14.7459 -14.7459 -7.5395 -7.5395 -6.3104 -6.3104 -6.3014 -6.3014 -6.2936 -6.2933 -0.9948 -0.9947 1.8678 1.8693 1.8794 1.8799 1.9915 1.9982 2.5806 2.6217 2.7035 2.7216 2.7316 2.7546 3.2176 3.2177 3.2206 3.2216 3.3224 3.3247 3.5665 3.5715 3.5983 3.5985 4.5356 4.5578 4.6005 4.6013 4.6374 4.6554 4.6693 4.6705 4.7983 4.8148 4.8281 4.8430 4.9503 4.9522 5.5844 5.5849 5.8738 5.8790 5.9269 5.9300 5.9328 5.9385 6.7530 6.7542 7.2494 7.2599 7.6023 7.6060 7.7101 7.7114 7.7234 7.7250 8.9684 8.9690 9.9166 9.9196 10.4970 10.5049 10.7227 10.7258 k = 0.0000 0.0000 0.0000 ( 6979 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7481 -14.7481 -14.7459 -14.7459 -7.5402 -7.5402 -6.3099 -6.3099 -6.3009 -6.3009 -6.2934 -6.2934 -0.9952 -0.9952 1.8691 1.8691 1.8796 1.8796 1.9960 1.9960 2.6025 2.6025 2.7221 2.7221 2.7298 2.7298 3.2183 3.2183 3.2212 3.2212 3.3235 3.3235 3.5707 3.5707 3.5998 3.5998 4.5467 4.5467 4.6007 4.6007 4.6477 4.6477 4.6673 4.6673 4.8072 4.8072 4.8332 4.8332 4.9504 4.9504 5.5848 5.5848 5.8771 5.8771 5.9300 5.9300 5.9348 5.9348 6.7532 6.7532 7.2624 7.2624 7.6018 7.6018 7.7099 7.7099 7.7213 7.7213 8.9643 8.9643 9.9154 9.9154 10.5016 10.5016 10.7251 10.7251 k = 0.0000 0.0000 0.0000 ( 6979 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7481 -14.7481 -14.7459 -14.7459 -7.5402 -7.5402 -6.3099 -6.3099 -6.3009 -6.3009 -6.2934 -6.2934 -0.9952 -0.9952 1.8691 1.8691 1.8796 1.8796 1.9960 1.9960 2.6025 2.6025 2.7221 2.7221 2.7298 2.7298 3.2183 3.2183 3.2212 3.2212 3.3235 3.3235 3.5707 3.5707 3.5998 3.5998 4.5467 4.5467 4.6007 4.6007 4.6477 4.6477 4.6673 4.6673 4.8072 4.8072 4.8332 4.8332 4.9504 4.9504 5.5848 5.5848 5.8771 5.8771 5.9300 5.9300 5.9348 5.9348 6.7532 6.7532 7.2624 7.2624 7.6018 7.6018 7.7099 7.7099 7.7213 7.7213 8.9643 8.9643 9.9154 9.9154 10.5016 10.5016 10.7251 10.7251 k = 0.0179 0.0128 0.0000 ( 6983 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7481 -14.7481 -14.7459 -14.7459 -7.5394 -7.5394 -6.3100 -6.3100 -6.3009 -6.3009 -6.2946 -6.2946 -0.9950 -0.9950 1.8528 1.8528 1.8954 1.8954 1.9961 1.9961 2.6044 2.6044 2.7213 2.7213 2.7331 2.7331 3.2176 3.2176 3.2219 3.2219 3.3221 3.3221 3.5708 3.5708 3.6001 3.6001 4.5469 4.5469 4.6006 4.6006 4.6473 4.6473 4.6679 4.6679 4.8073 4.8073 4.8338 4.8338 4.9504 4.9504 5.5830 5.5830 5.8776 5.8776 5.9303 5.9303 5.9353 5.9353 6.7524 6.7524 7.2564 7.2564 7.6028 7.6028 7.7067 7.7067 7.7282 7.7282 8.9650 8.9650 9.9159 9.9159 10.4978 10.4978 10.7196 10.7196 k = 0.0357 0.0256 0.0000 ( 6991 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7481 -14.7481 -14.7459 -14.7459 -7.5372 -7.5372 -6.3102 -6.3102 -6.3010 -6.3010 -6.2980 -6.2980 -0.9943 -0.9943 1.8335 1.8335 1.9112 1.9112 1.9990 1.9990 2.6099 2.6099 2.7208 2.7208 2.7412 2.7412 3.2162 3.2162 3.2233 3.2233 3.3178 3.3178 3.5710 3.5710 3.6011 3.6011 4.5475 4.5475 4.6004 4.6004 4.6459 4.6459 4.6699 4.6699 4.8074 4.8074 4.8356 4.8356 4.9506 4.9506 5.5780 5.5780 5.8790 5.8790 5.9313 5.9313 5.9368 5.9368 6.7502 6.7502 7.2401 7.2401 7.6032 7.6032 7.6985 7.6985 7.7486 7.7486 8.9672 8.9672 9.9174 9.9174 10.4864 10.4864 10.7032 10.7032 k = 0.0536 0.0383 0.0000 ( 6983 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7481 -14.7481 -14.7459 -14.7459 -7.5334 -7.5334 -6.3109 -6.3109 -6.3034 -6.3034 -6.3012 -6.3012 -0.9932 -0.9932 1.8161 1.8161 1.9164 1.9164 2.0107 2.0107 2.6183 2.6183 2.7216 2.7216 2.7534 2.7534 3.2143 3.2143 3.2251 3.2251 3.3107 3.3107 3.5714 3.5714 3.6027 3.6027 4.5486 4.5486 4.6002 4.6002 4.6439 4.6439 4.6728 4.6728 4.8078 4.8078 4.8385 4.8385 4.9508 4.9508 5.5698 5.5698 5.8813 5.8813 5.9331 5.9331 5.9392 5.9392 6.7464 6.7464 7.2171 7.2171 7.5988 7.5988 7.6854 7.6854 7.7828 7.7828 8.9709 8.9709 9.9199 9.9199 10.4670 10.4670 10.6756 10.6756 k = 0.0714 0.0511 0.0000 ( 6979 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7481 -14.7481 -14.7459 -14.7459 -7.5282 -7.5282 -6.3144 -6.3144 -6.3083 -6.3083 -6.3015 -6.3015 -0.9916 -0.9916 1.8011 1.8011 1.9090 1.9090 2.0337 2.0337 2.6283 2.6283 2.7235 2.7235 2.7697 2.7697 3.2118 3.2118 3.2270 3.2270 3.3014 3.3014 3.5720 3.5720 3.6050 3.6050 4.5501 4.5501 4.5997 4.5997 4.6415 4.6415 4.6766 4.6766 4.8082 4.8082 4.8425 4.8425 4.9511 4.9511 5.5590 5.5590 5.8844 5.8844 5.9354 5.9354 5.9425 5.9425 6.7412 6.7412 7.1910 7.1910 7.5884 7.5884 7.6678 7.6678 7.8283 7.8283 8.9760 8.9760 9.9234 9.9234 10.4393 10.4393 10.6372 10.6372 k = 0.0893 0.0639 0.0000 ( 6987 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7481 -14.7481 -14.7459 -14.7459 -7.5214 -7.5214 -6.3238 -6.3238 -6.3097 -6.3097 -6.3019 -6.3019 -0.9897 -0.9897 1.7887 1.7887 1.8928 1.8928 2.0644 2.0644 2.6391 2.6391 2.7265 2.7265 2.7902 2.7902 3.2081 3.2081 3.2292 3.2292 3.2902 3.2902 3.5727 3.5727 3.6078 3.6078 4.5520 4.5520 4.5991 4.5991 4.6387 4.6387 4.6809 4.6809 4.8088 4.8088 4.8474 4.8474 4.9515 4.9515 5.5459 5.5459 5.8883 5.8883 5.9383 5.9383 5.9466 5.9466 6.7344 6.7344 7.1643 7.1643 7.5725 7.5725 7.6458 7.6458 7.8819 7.8819 8.9825 8.9825 9.9278 9.9278 10.4028 10.4028 10.5881 10.5881 k = 0.1071 0.0767 0.0000 ( 6979 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7924 -14.7924 -14.7481 -14.7481 -14.7459 -14.7459 -7.5132 -7.5132 -6.3362 -6.3362 -6.3102 -6.3102 -6.3023 -6.3023 -0.9874 -0.9874 1.7793 1.7793 1.8717 1.8717 2.0999 2.0999 2.6500 2.6500 2.7304 2.7304 2.8147 2.8147 3.2024 3.2024 3.2316 3.2316 3.2785 3.2785 3.5735 3.5735 3.6111 3.6111 4.5543 4.5543 4.5984 4.5984 4.6356 4.6356 4.6858 4.6858 4.8097 4.8097 4.8532 4.8532 4.9519 4.9519 5.5311 5.5311 5.8928 5.8928 5.9417 5.9417 5.9514 5.9514 6.7261 6.7261 7.1386 7.1386 7.5521 7.5521 7.6198 7.6198 7.9406 7.9406 8.9903 8.9903 9.9333 9.9333 10.3575 10.3575 10.5290 10.5290 k = 0.1250 0.0895 0.0000 ( 6987 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7924 -14.7924 -14.7482 -14.7482 -14.7459 -14.7459 -7.5036 -7.5036 -6.3509 -6.3509 -6.3107 -6.3107 -6.3028 -6.3028 -0.9849 -0.9849 1.7727 1.7727 1.8476 1.8476 2.1386 2.1386 2.6607 2.6607 2.7350 2.7350 2.8425 2.8425 3.1931 3.1931 3.2340 3.2340 3.2677 3.2677 3.5745 3.5745 3.6149 3.6149 4.5569 4.5569 4.5973 4.5973 4.6321 4.6321 4.6911 4.6911 4.8107 4.8107 4.8595 4.8595 4.9526 4.9526 5.5152 5.5152 5.8979 5.8979 5.9454 5.9454 5.9570 5.9570 6.7164 6.7164 7.1150 7.1150 7.5278 7.5278 7.5905 7.5905 8.0022 8.0022 8.9993 8.9993 9.9400 9.9400 10.3036 10.3036 10.4612 10.4612 k = 0.1429 0.1023 0.0000 ( 6967 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7924 -14.7924 -14.7482 -14.7482 -14.7459 -14.7459 -7.4925 -7.4925 -6.3677 -6.3677 -6.3112 -6.3112 -6.3033 -6.3033 -0.9821 -0.9821 1.7692 1.7692 1.8218 1.8218 2.1798 2.1798 2.6712 2.6712 2.7402 2.7402 2.8729 2.8729 3.1787 3.1787 3.2362 3.2362 3.2601 3.2601 3.5756 3.5756 3.6192 3.6192 4.5600 4.5600 4.5961 4.5961 4.6282 4.6282 4.6970 4.6970 4.8121 4.8121 4.8659 4.8659 4.9540 4.9540 5.4988 5.4988 5.9033 5.9033 5.9494 5.9494 5.9633 5.9633 6.7052 6.7052 7.0939 7.0939 7.5005 7.5005 7.5584 7.5584 8.0650 8.0650 9.0094 9.0094 9.9479 9.9479 10.2421 10.2421 10.3859 10.3859 k = 0.1607 0.1150 0.0000 ( 6963 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7924 -14.7924 -14.7482 -14.7482 -14.7459 -14.7459 -7.4800 -7.4800 -6.3863 -6.3863 -6.3116 -6.3116 -6.3039 -6.3039 -0.9791 -0.9791 1.7686 1.7686 1.7952 1.7952 2.2231 2.2231 2.6813 2.6813 2.7459 2.7459 2.9050 2.9050 3.1587 3.1587 3.2377 3.2377 3.2568 3.2568 3.5768 3.5768 3.6238 3.6238 4.5633 4.5633 4.5943 4.5943 4.6240 4.6240 4.7031 4.7031 4.8136 4.8136 4.8715 4.8715 4.9566 4.9566 5.4827 5.4827 5.9089 5.9089 5.9537 5.9537 5.9702 5.9702 6.6925 6.6925 7.0756 7.0756 7.4705 7.4705 7.5241 7.5241 8.1274 8.1274 9.0202 9.0202 9.9572 9.9572 10.1738 10.1738 10.3047 10.3047 k = 0.1786 0.1278 0.0000 ( 6951 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7924 -14.7924 -14.7482 -14.7482 -14.7459 -14.7459 -7.4662 -7.4662 -6.4068 -6.4068 -6.3121 -6.3121 -6.3046 -6.3046 -0.9760 -0.9760 1.7669 1.7669 1.7725 1.7725 2.2680 2.2680 2.6912 2.6912 2.7520 2.7520 2.9381 2.9381 3.1335 3.1335 3.2384 3.2384 3.2574 3.2574 3.5782 3.5782 3.6286 3.6286 4.5670 4.5670 4.5920 4.5920 4.6197 4.6197 4.7095 4.7095 4.8155 4.8155 4.8752 4.8752 4.9614 4.9614 5.4672 5.4672 5.9145 5.9145 5.9584 5.9584 5.9776 5.9776 6.6784 6.6784 7.0601 7.0601 7.4385 7.4385 7.4881 7.4881 8.1884 8.1884 9.0315 9.0315 9.9681 9.9681 10.1006 10.1006 10.2192 10.2192 k = 0.1964 0.1406 0.0000 ( 6947 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7924 -14.7924 -14.7482 -14.7482 -14.7459 -14.7459 -7.4510 -7.4510 -6.4290 -6.4290 -6.3126 -6.3126 -6.3053 -6.3053 -0.9729 -0.9729 1.7410 1.7410 1.7772 1.7772 2.3144 2.3144 2.7009 2.7009 2.7583 2.7583 2.9714 2.9714 3.1042 3.1042 3.2389 3.2389 3.2608 3.2608 3.5797 3.5797 3.6337 3.6337 4.5707 4.5707 4.5886 4.5886 4.6155 4.6155 4.7159 4.7159 4.8176 4.8176 4.8761 4.8761 4.9694 4.9694 5.4529 5.4529 5.9198 5.9198 5.9634 5.9634 5.9853 5.9853 6.6629 6.6629 7.0474 7.0474 7.4050 7.4050 7.4512 7.4512 8.2467 8.2467 9.0429 9.0429 9.9785 9.9785 10.0262 10.0262 10.1311 10.1311 k = 0.2143 0.1534 0.0000 ( 6951 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7459 -14.7459 -7.4346 -7.4346 -6.4526 -6.4526 -6.3132 -6.3132 -6.3060 -6.3060 -0.9697 -0.9697 1.7146 1.7146 1.7859 1.7859 2.3618 2.3618 2.7103 2.7103 2.7647 2.7647 3.0044 3.0044 3.0716 3.0716 3.2397 3.2397 3.2659 3.2659 3.5813 3.5813 3.6390 3.6390 4.5742 4.5742 4.5841 4.5841 4.6117 4.6117 4.7223 4.7223 4.8200 4.8200 4.8738 4.8738 4.9811 4.9811 5.4402 5.4402 5.9248 5.9248 5.9687 5.9687 5.9933 5.9933 6.6461 6.6461 7.0373 7.0373 7.3705 7.3705 7.4139 7.4139 8.3015 8.3015 9.0539 9.0539 9.9369 9.9369 10.0024 10.0024 10.0437 10.0437 k = 0.2321 0.1662 0.0000 ( 6959 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7459 -14.7459 -7.4169 -7.4169 -6.4777 -6.4777 -6.3137 -6.3137 -6.3067 -6.3067 -0.9666 -0.9666 1.6890 1.6890 1.7977 1.7977 2.4101 2.4101 2.7193 2.7193 2.7711 2.7711 3.0339 3.0339 3.0389 3.0389 3.2410 3.2410 3.2722 3.2722 3.5830 3.5830 3.6444 3.6444 4.5738 4.5738 4.5814 4.5814 4.6087 4.6087 4.7283 4.7283 4.8226 4.8226 4.8688 4.8688 4.9963 4.9963 5.4294 5.4294 5.9293 5.9293 5.9742 5.9742 6.0015 6.0015 6.6280 6.6280 7.0296 7.0296 7.3355 7.3355 7.3768 7.3768 8.3519 8.3519 9.0640 9.0640 9.8574 9.8574 9.9488 9.9488 10.0265 10.0265 k = 0.2500 0.1789 0.0000 ( 6948 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7459 -14.7459 -7.3980 -7.3980 -6.5040 -6.5040 -6.3142 -6.3142 -6.3074 -6.3074 -0.9636 -0.9636 1.6643 1.6643 1.8124 1.8124 2.4589 2.4589 2.7278 2.7278 2.7774 2.7774 2.9987 2.9987 3.0674 3.0674 3.2428 3.2428 3.2795 3.2795 3.5848 3.5848 3.6498 3.6498 4.5657 4.5657 4.5844 4.5844 4.6065 4.6065 4.7338 4.7338 4.8255 4.8255 4.8621 4.8621 5.0145 5.0145 5.4205 5.4205 5.9334 5.9334 5.9799 5.9799 6.0096 6.0096 6.6087 6.6087 7.0241 7.0241 7.3007 7.3007 7.3405 7.3405 8.3973 8.3973 9.0728 9.0728 9.7764 9.7764 9.8608 9.8608 10.0505 10.0505 k = 0.2679 0.1917 0.0000 ( 6956 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7459 -14.7459 -7.3781 -7.3781 -6.5314 -6.5314 -6.3148 -6.3148 -6.3082 -6.3082 -0.9607 -0.9607 1.6407 1.6407 1.8300 1.8300 2.5079 2.5079 2.7355 2.7355 2.7834 2.7834 2.9597 2.9597 3.0963 3.0963 3.2449 3.2449 3.2878 3.2878 3.5866 3.5866 3.6552 3.6552 4.5543 4.5543 4.5885 4.5885 4.6049 4.6049 4.7383 4.7383 4.8286 4.8286 4.8546 4.8546 5.0351 5.0351 5.4136 5.4136 5.9368 5.9368 5.9855 5.9855 6.0174 6.0174 6.5883 6.5883 7.0206 7.0206 7.2665 7.2665 7.3053 7.3053 8.4372 8.4372 9.0801 9.0801 9.6965 9.6965 9.7741 9.7741 10.0803 10.0803 k = 0.2857 0.2045 0.0000 ( 6956 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7459 -14.7459 -7.3571 -7.3571 -6.5597 -6.5597 -6.3153 -6.3153 -6.3089 -6.3089 -0.9580 -0.9580 1.6185 1.6185 1.8505 1.8505 2.5566 2.5566 2.7419 2.7419 2.7889 2.7889 2.9200 2.9200 3.1229 3.1229 3.2474 3.2474 3.2970 3.2970 3.5885 3.5885 3.6606 3.6606 4.5405 4.5405 4.5925 4.5925 4.6039 4.6039 4.7415 4.7415 4.8319 4.8319 4.8477 4.8477 5.0577 5.0577 5.4084 5.4084 5.9399 5.9399 5.9909 5.9909 6.0249 6.0249 6.5671 6.5671 7.0188 7.0188 7.2335 7.2335 7.2717 7.2717 8.4714 8.4714 9.0857 9.0857 9.6188 9.6188 9.6901 9.6901 10.1150 10.1150 k = 0.3036 0.2173 0.0000 ( 6964 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7459 -14.7459 -7.3352 -7.3352 -6.5887 -6.5887 -6.3158 -6.3158 -6.3097 -6.3097 -0.9554 -0.9554 1.5977 1.5977 1.8736 1.8736 2.6047 2.6047 2.7460 2.7460 2.7937 2.7937 2.8814 2.8814 3.1471 3.1471 3.2502 3.2502 3.3070 3.3070 3.5904 3.5904 3.6659 3.6659 4.5246 4.5246 4.5961 4.5961 4.6036 4.6036 4.7428 4.7428 4.8352 4.8352 4.8424 4.8425 5.0819 5.0819 5.4049 5.4049 5.9424 5.9424 5.9957 5.9957 6.0319 6.0319 6.5451 6.5451 7.0184 7.0184 7.2023 7.2023 7.2400 7.2400 8.4998 8.4998 9.0897 9.0897 9.5445 9.5445 9.6098 9.6098 10.1539 10.1539 k = 0.3214 0.2301 0.0000 ( 6960 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7458 -14.7458 -7.3124 -7.3124 -6.6182 -6.6182 -6.3163 -6.3163 -6.3104 -6.3104 -0.9531 -0.9531 1.5784 1.5784 1.8992 1.8992 2.6516 2.6516 2.7446 2.7446 2.7968 2.7968 2.8479 2.8479 3.1686 3.1686 3.2532 3.2532 3.3179 3.3179 3.5923 3.5923 3.6709 3.6709 4.5067 4.5067 4.5987 4.5987 4.6045 4.6045 4.7422 4.7422 4.8379 4.8379 4.8403 4.8403 5.1070 5.1070 5.4028 5.4028 5.9447 5.9447 5.9999 5.9999 6.0383 6.0383 6.5226 6.5226 7.0192 7.0192 7.1734 7.1734 7.2106 7.2106 8.5225 8.5225 9.0923 9.0923 9.4748 9.4748 9.5338 9.5338 10.1962 10.1962 k = 0.3393 0.2429 0.0000 ( 6960 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7458 -14.7458 -7.2890 -7.2890 -6.6480 -6.6480 -6.3167 -6.3167 -6.3110 -6.3110 -0.9509 -0.9509 1.5608 1.5608 1.9272 1.9272 2.6962 2.6962 2.7313 2.7313 2.7970 2.7970 2.8281 2.8281 3.1873 3.1873 3.2562 3.2562 3.3293 3.3293 3.5941 3.5941 3.6758 3.6758 4.4871 4.4871 4.5995 4.5995 4.6070 4.6070 4.7398 4.7398 4.8380 4.8380 4.8431 4.8431 5.1327 5.1327 5.4017 5.4017 5.9467 5.9467 6.0032 6.0032 6.0440 6.0440 6.4999 6.4999 7.0209 7.0209 7.1470 7.1470 7.1836 7.1836 8.5398 8.5398 9.0935 9.0935 9.4106 9.4106 9.4629 9.4629 10.2407 10.2407 k = 0.3571 0.2556 0.0000 ( 6944 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7458 -14.7458 -7.2652 -7.2652 -6.6777 -6.6777 -6.3171 -6.3171 -6.3117 -6.3117 -0.9490 -0.9490 1.5448 1.5448 1.9573 1.9573 2.7010 2.7010 2.7387 2.7387 2.7965 2.7965 2.8244 2.8244 3.2033 3.2033 3.2593 3.2593 3.3409 3.3409 3.5959 3.5959 3.6803 3.6803 4.4664 4.4664 4.5996 4.5996 4.6102 4.6102 4.7362 4.7362 4.8394 4.8394 4.8467 4.8467 5.1583 5.1583 5.4016 5.4016 5.9484 5.9484 6.0058 6.0058 6.0489 6.0489 6.4774 6.4774 7.0232 7.0232 7.1236 7.1236 7.1592 7.1592 8.5522 8.5522 9.0930 9.0930 9.3533 9.3533 9.3975 9.3975 10.2858 10.2858 k = 0.3750 0.2684 0.0000 ( 6920 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7458 -14.7458 -7.2411 -7.2411 -6.7072 -6.7072 -6.3175 -6.3175 -6.3122 -6.3122 -0.9474 -0.9474 1.5306 1.5306 1.9893 1.9893 2.6621 2.6621 2.7741 2.7741 2.7991 2.7991 2.8294 2.8294 3.2169 3.2169 3.2622 3.2622 3.3524 3.3524 3.5976 3.5976 3.6845 3.6845 4.4452 4.4452 4.5996 4.5996 4.6134 4.6134 4.7320 4.7320 4.8421 4.8421 4.8504 4.8504 5.1834 5.1834 5.4019 5.4019 5.9498 5.9498 6.0075 6.0075 6.0530 6.0530 6.4557 6.4557 7.0258 7.0258 7.1034 7.1034 7.1377 7.1377 8.5603 8.5603 9.0903 9.0903 9.3042 9.3042 9.3385 9.3385 10.3300 10.3300 k = 0.3929 0.2812 0.0000 ( 6928 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7458 -14.7458 -7.2171 -7.2171 -6.7360 -6.7360 -6.3178 -6.3178 -6.3128 -6.3128 -0.9459 -0.9459 1.5181 1.5181 2.0228 2.0228 2.6194 2.6194 2.7943 2.7943 2.8070 2.8070 2.8436 2.8437 3.2283 3.2283 3.2648 3.2648 3.3633 3.3633 3.5992 3.5992 3.6882 3.6882 4.4242 4.4242 4.5994 4.5994 4.6163 4.6163 4.7277 4.7277 4.8457 4.8457 4.8539 4.8539 5.2073 5.2073 5.4027 5.4027 5.9510 5.9510 6.0083 6.0083 6.0562 6.0562 6.4349 6.4349 7.0285 7.0285 7.0864 7.0864 7.1189 7.1189 8.5651 8.5651 9.0843 9.0843 9.2649 9.2649 9.2861 9.2861 10.3717 10.3717 k = 0.4107 0.2940 0.0000 ( 6936 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7458 -14.7458 -7.1938 -7.1938 -6.7635 -6.7635 -6.3181 -6.3181 -6.3132 -6.3132 -0.9447 -0.9447 1.5076 1.5076 2.0572 2.0572 2.5758 2.5758 2.8003 2.8003 2.8154 2.8154 2.8679 2.8679 3.2377 3.2377 3.2670 3.2670 3.3731 3.3731 3.6007 3.6007 3.6915 3.6915 4.4042 4.4042 4.5992 4.5992 4.6188 4.6188 4.7238 4.7238 4.8494 4.8494 4.8570 4.8570 5.2291 5.2291 5.4036 5.4036 5.9520 5.9520 6.0086 6.0086 6.0588 6.0588 6.4159 6.4159 7.0310 7.0310 7.0726 7.0726 7.1031 7.1031 8.5672 8.5672 9.0744 9.0744 9.2360 9.2360 9.2414 9.2414 10.4092 10.4092 k = 0.4286 0.3068 0.0000 ( 6936 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7458 -14.7458 -7.1718 -7.1718 -6.7890 -6.7890 -6.3183 -6.3183 -6.3136 -6.3136 -0.9437 -0.9437 1.4989 1.4989 2.0918 2.0918 2.5333 2.5333 2.8037 2.8037 2.8199 2.8199 2.8936 2.8936 3.2453 3.2453 3.2688 3.2688 3.3816 3.3816 3.6020 3.6020 3.6942 3.6942 4.3863 4.3863 4.5991 4.5991 4.6210 4.6210 4.7205 4.7205 4.8530 4.8530 4.8598 4.8598 5.2483 5.2483 5.4046 5.4046 5.9529 5.9529 6.0083 6.0083 6.0607 6.0607 6.3992 6.3992 7.0330 7.0330 7.0619 7.0619 7.0903 7.0903 8.5676 8.5676 9.0611 9.0611 9.2030 9.2030 9.2187 9.2188 10.4414 10.4414 k = 0.4464 0.3196 0.0000 ( 6936 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7458 -14.7458 -7.1520 -7.1520 -6.8114 -6.8114 -6.3185 -6.3185 -6.3139 -6.3139 -0.9430 -0.9430 1.4921 1.4921 2.1252 2.1252 2.4934 2.4934 2.8062 2.8062 2.8226 2.8226 2.9155 2.9155 3.2514 3.2514 3.2700 3.2700 3.3885 3.3885 3.6030 3.6030 3.6964 3.6964 4.3712 4.3712 4.5990 4.5990 4.6227 4.6227 4.7179 4.7179 4.8561 4.8561 4.8621 4.8621 5.2641 5.2641 5.4055 5.4055 5.9535 5.9535 6.0079 6.0079 6.0620 6.0620 6.3854 6.3854 7.0343 7.0343 7.0541 7.0541 7.0806 7.0806 8.5670 8.5670 9.0469 9.0469 9.1734 9.1734 9.2085 9.2085 10.4672 10.4672 k = 0.4643 0.3323 0.0000 ( 6924 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7458 -14.7458 -7.1360 -7.1360 -6.8294 -6.8294 -6.3187 -6.3187 -6.3141 -6.3141 -0.9424 -0.9424 1.4872 1.4872 2.1550 2.1550 2.4588 2.4588 2.8080 2.8080 2.8242 2.8242 2.9321 2.9321 3.2559 3.2559 3.2708 3.2708 3.3936 3.3936 3.6038 3.6038 3.6979 3.6979 4.3598 4.3598 4.5989 4.5989 4.6239 4.6239 4.7161 4.7161 4.8584 4.8584 4.8638 4.8638 5.2759 5.2759 5.4063 5.4063 5.9540 5.9540 6.0074 6.0074 6.0629 6.0629 6.3751 6.3751 7.0350 7.0350 7.0489 7.0489 7.0739 7.0739 8.5661 8.5661 9.0348 9.0348 9.1521 9.1521 9.2034 9.2034 10.4859 10.4859 k = 0.4821 0.3451 0.0000 ( 6924 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7458 -14.7458 -7.1253 -7.1253 -6.8413 -6.8413 -6.3187 -6.3187 -6.3142 -6.3142 -0.9421 -0.9421 1.4843 1.4843 2.1771 2.1771 2.4339 2.4339 2.8091 2.8091 2.8252 2.8252 2.9423 2.9423 3.2587 3.2587 3.2711 3.2711 3.3966 3.3966 3.6043 3.6043 3.6989 3.6989 4.3527 4.3527 4.5989 4.5989 4.6246 4.6246 4.7149 4.7149 4.8599 4.8599 4.8648 4.8648 5.2832 5.2832 5.4067 5.4067 5.9543 5.9543 6.0070 6.0070 6.0634 6.0634 6.3687 6.3687 7.0352 7.0352 7.0460 7.0460 7.0701 7.0701 8.5654 8.5654 9.0267 9.0267 9.1391 9.1391 9.2011 9.2011 10.4972 10.4972 k = 0.5000 0.3579 0.0000 ( 6944 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7458 -14.7458 -7.1215 -7.1215 -6.8455 -6.8455 -6.3188 -6.3188 -6.3143 -6.3143 -0.9420 -0.9420 1.4833 1.4833 2.1855 2.1855 2.4245 2.4245 2.8095 2.8095 2.8255 2.8255 2.9458 2.9458 3.2597 3.2597 3.2711 3.2711 3.3976 3.3976 3.6045 3.6045 3.6992 3.6992 4.3502 4.3502 4.5989 4.5989 4.6248 4.6248 4.7145 4.7145 4.8604 4.8604 4.8651 4.8651 5.2857 5.2857 5.4069 5.4069 5.9544 5.9544 6.0068 6.0068 6.0636 6.0636 6.3665 6.3665 7.0352 7.0352 7.0450 7.0450 7.0688 7.0688 8.5651 8.5651 9.0238 9.0238 9.1348 9.1348 9.2005 9.2005 10.5010 10.5010 k = 0.5000 0.3579 0.0000 ( 6944 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7458 -14.7458 -7.1215 -7.1215 -6.8455 -6.8455 -6.3188 -6.3188 -6.3143 -6.3143 -0.9420 -0.9420 1.4833 1.4833 2.1855 2.1855 2.4245 2.4245 2.8095 2.8095 2.8255 2.8255 2.9458 2.9458 3.2597 3.2597 3.2711 3.2711 3.3976 3.3976 3.6045 3.6045 3.6992 3.6992 4.3502 4.3502 4.5989 4.5989 4.6248 4.6248 4.7145 4.7145 4.8604 4.8604 4.8651 4.8651 5.2857 5.2857 5.4069 5.4069 5.9544 5.9544 6.0068 6.0068 6.0636 6.0636 6.3665 6.3665 7.0352 7.0352 7.0450 7.0450 7.0688 7.0688 8.5651 8.5651 9.0238 9.0238 9.1348 9.1348 9.2005 9.2005 10.5010 10.5010 k = 0.4911 0.3703 0.0152 ( 6928 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7458 -14.7458 -7.1211 -7.1211 -6.8452 -6.8450 -6.3195 -6.3192 -6.3148 -6.3146 -0.9416 -0.9411 1.4838 1.4849 2.1835 2.1868 2.4162 2.4244 2.8025 2.8160 2.8263 2.8286 2.9445 2.9463 3.2555 3.2613 3.2711 3.2721 3.3915 3.4028 3.6036 3.6040 3.6969 3.6996 4.3489 4.3542 4.5989 4.5995 4.6093 4.6404 4.7093 4.7195 4.8441 4.8607 4.8644 4.8843 5.2823 5.2883 5.4054 5.4086 5.9514 5.9587 6.0040 6.0083 6.0601 6.0653 6.3671 6.3675 7.0290 7.0372 7.0454 7.0471 7.0645 7.0736 8.5636 8.5665 9.0228 9.0305 9.1367 9.1369 9.1991 9.2116 10.5027 10.5069 k = 0.4823 0.3826 0.0304 ( 6924 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7458 -14.7458 -7.1198 -7.1197 -6.8441 -6.8436 -6.3218 -6.3215 -6.3157 -6.3151 -0.9399 -0.9390 1.4864 1.4887 2.1809 2.1875 2.4006 2.4158 2.7962 2.8139 2.8300 2.8427 2.9425 2.9463 3.2503 3.2592 3.2702 3.2752 3.3843 3.4071 3.6014 3.6020 3.6928 3.6981 4.3501 4.3606 4.5938 4.5995 4.6007 4.6555 4.7038 4.7241 4.8258 4.8619 4.8686 4.9045 5.2782 5.2901 5.4042 5.4106 5.9489 5.9641 6.0004 6.0080 6.0555 6.0653 6.3691 6.3700 7.0209 7.0336 7.0477 7.0511 7.0616 7.0781 8.5622 8.5680 9.0277 9.0416 9.1422 9.1437 9.2072 9.2324 10.5119 10.5202 k = 0.4734 0.3950 0.0456 ( 6928 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7458 -14.7458 -7.1176 -7.1174 -6.8421 -6.8414 -6.3265 -6.3262 -6.3162 -6.3150 -0.9369 -0.9357 1.4911 1.4945 2.1778 2.1876 2.3791 2.3994 2.7874 2.8066 2.8389 2.8629 2.9398 2.9459 3.2447 3.2546 3.2678 3.2791 3.3759 3.4108 3.5980 3.5985 3.6868 3.6949 4.3539 4.3691 4.5790 4.6007 4.6023 4.6696 4.6981 4.7283 4.8091 4.8649 4.8746 4.9246 5.2734 5.2910 5.4031 5.4128 5.9451 5.9682 5.9976 6.0074 6.0509 6.0641 6.3724 6.3737 7.0113 7.0262 7.0507 7.0556 7.0611 7.0824 8.5606 8.5693 9.0383 9.0553 9.1511 9.1571 9.2250 9.2627 10.5285 10.5408 k = 0.4646 0.4074 0.0609 ( 6932 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7459 -14.7458 -7.1145 -7.1143 -6.8393 -6.8383 -6.3334 -6.3333 -6.3164 -6.3147 -0.9328 -0.9311 1.4979 1.5024 2.1741 2.1871 2.3532 2.3767 2.7748 2.7957 2.8528 2.8856 2.9369 2.9454 3.2389 3.2486 3.2638 3.2830 3.3664 3.4140 3.5934 3.5935 3.6793 3.6901 4.3600 4.3797 4.5649 4.6025 4.6043 4.6821 4.6921 4.7319 4.7954 4.8697 4.8821 4.9443 5.2682 5.2913 5.4023 5.4153 5.9376 5.9654 5.9968 6.0111 6.0473 6.0629 6.3769 6.3788 7.0004 7.0159 7.0545 7.0602 7.0628 7.0866 8.5589 8.5705 9.0534 9.0696 9.1645 9.1778 9.2531 9.3019 10.5525 10.5686 k = 0.4557 0.4198 0.0761 ( 6944 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7481 -14.7459 -14.7458 -7.1106 -7.1103 -6.8357 -6.8345 -6.3424 -6.3423 -6.3163 -6.3141 -0.9275 -0.9254 1.5068 1.5124 2.1699 2.1862 2.3241 2.3492 2.7583 2.7814 2.8696 2.9071 2.9361 2.9456 3.2328 3.2416 3.2581 3.2864 3.3559 3.4168 3.5868 3.5878 3.6703 3.6840 4.3683 4.3919 4.5517 4.6049 4.6067 4.6860 4.6915 4.7346 4.7862 4.8764 4.8910 4.9633 5.2628 5.2911 5.4016 5.4179 5.9246 5.9527 5.9982 6.0218 6.0449 6.0629 6.3825 6.3849 6.9883 7.0034 7.0594 7.0651 7.0663 7.0909 8.5569 8.5715 9.0708 9.0833 9.1844 9.2061 9.2916 9.3494 10.5835 10.6033 k = 0.4469 0.4321 0.0913 ( 6950 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7924 -14.7923 -14.7482 -14.7481 -14.7459 -14.7458 -7.1058 -7.1055 -6.8313 -6.8298 -6.3534 -6.3533 -6.3161 -6.3134 -0.9212 -0.9187 1.5177 1.5244 2.1654 2.1847 2.2928 2.3181 2.7384 2.7638 2.8863 2.9157 2.9479 2.9482 3.2266 3.2337 3.2507 3.2891 3.3446 3.4194 3.5785 3.5811 3.6601 3.6768 4.3787 4.4056 4.5395 4.6078 4.6094 4.6797 4.6966 4.7366 4.7832 4.8849 4.9012 4.9815 5.2574 5.2906 5.4011 5.4208 5.9063 5.9327 6.0001 6.0338 6.0468 6.0660 6.3889 6.3919 6.9752 6.9893 7.0654 7.0702 7.0716 7.0957 8.5546 8.5721 9.0884 9.0960 9.2126 9.2415 9.3404 9.4046 10.6212 10.6444 k = 0.4380 0.4445 0.1065 ( 6956 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7924 -14.7923 -14.7482 -14.7481 -14.7459 -14.7458 -7.1003 -7.0999 -6.8261 -6.8244 -6.3661 -6.3661 -6.3158 -6.3127 -0.9139 -0.9110 1.5306 1.5385 2.1604 2.1829 2.2601 2.2847 2.7154 2.7430 2.8989 2.9121 2.9553 2.9717 3.2201 3.2250 3.2419 3.2904 3.3331 3.4218 3.5686 3.5735 3.6491 3.6688 4.3909 4.4202 4.5285 4.6112 4.6123 4.6733 4.6968 4.7383 4.7869 4.8952 4.9124 4.9989 5.2522 5.2901 5.4006 5.4237 5.8834 5.9079 6.0002 6.0353 6.0624 6.0736 6.3962 6.3997 6.9612 6.9740 7.0725 7.0760 7.0784 7.1013 8.5518 8.5724 9.1045 9.1080 9.2501 9.2833 9.3989 9.4669 10.6651 10.6913 k = 0.4292 0.4569 0.1217 ( 6956 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7924 -14.7923 -14.7482 -14.7481 -14.7459 -14.7458 -7.0940 -7.0935 -6.8201 -6.8181 -6.3806 -6.3805 -6.3154 -6.3119 -0.9058 -0.9025 1.5455 1.5545 2.1549 2.1805 2.2268 2.2500 2.6895 2.7191 2.9043 2.9053 2.9698 2.9973 3.2134 3.2158 3.2318 3.2892 3.3227 3.4240 3.5573 3.5649 3.6375 3.6604 4.4047 4.4353 4.5187 4.6150 4.6152 4.6669 4.6936 4.7400 4.7955 4.9073 4.9246 5.0153 5.2475 5.2899 5.4002 5.4267 5.8566 5.8795 5.9976 6.0324 6.0842 6.0860 6.4041 6.4081 6.9467 6.9578 7.0808 7.0828 7.0865 7.1081 8.5485 8.5720 9.1192 9.1198 9.2962 9.3304 9.4664 9.5359 10.7142 10.7429 k = 0.4203 0.4692 0.1369 ( 6954 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7924 -14.7923 -14.7482 -14.7481 -14.7459 -14.7458 -7.0870 -7.0865 -6.8134 -6.8111 -6.3966 -6.3966 -6.3149 -6.3110 -0.8969 -0.8933 1.5623 1.5725 2.1481 2.1765 2.1943 2.2156 2.6611 2.6925 2.8972 2.9040 2.9890 3.0224 3.2062 3.2064 3.2205 3.2833 3.3154 3.4261 3.5446 3.5555 3.6258 3.6516 4.4196 4.4505 4.5102 4.6182 4.6191 4.6606 4.6895 4.7416 4.8072 4.9210 4.9376 5.0309 5.2434 5.2902 5.3998 5.4296 5.8266 5.8484 5.9926 6.0282 6.1022 6.1084 6.4127 6.4171 6.9318 6.9411 7.0901 7.0909 7.0957 7.1162 8.5446 8.5711 9.1318 9.1328 9.3495 9.3820 9.5420 9.6111 10.7671 10.7971 k = 0.4115 0.4816 0.1521 ( 6950 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7924 -14.7923 -14.7482 -14.7481 -14.7459 -14.7458 -7.0794 -7.0788 -6.8059 -6.8034 -6.4141 -6.4140 -6.3144 -6.3100 -0.8874 -0.8835 1.5810 1.5924 2.1359 2.1634 2.1672 2.1900 2.6305 2.6633 2.8881 2.9006 3.0096 3.0462 3.1965 3.1990 3.2084 3.2723 3.3121 3.4279 3.5309 3.5454 3.6141 3.6428 4.4354 4.4651 4.5031 4.6213 4.6231 4.6546 4.6864 4.7427 4.8207 4.9364 4.9513 5.0455 5.2402 5.2912 5.3992 5.4325 5.7940 5.8153 5.9856 6.0230 6.1212 6.1339 6.4219 6.4265 6.9168 6.9242 7.0999 7.1006 7.1060 7.1258 8.5399 8.5694 9.1445 9.1461 9.4082 9.4370 9.6252 9.6921 10.8217 10.8512 k = 0.4026 0.4940 0.1673 ( 6944 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7924 -14.7923 -14.7481 -14.7481 -14.7459 -14.7458 -7.0712 -7.0706 -6.7977 -6.7950 -6.4328 -6.4328 -6.3138 -6.3090 -0.8775 -0.8732 1.6016 1.6141 2.1107 2.1322 2.1535 2.1825 2.5980 2.6318 2.8782 2.8953 3.0293 3.0677 3.1871 3.1909 3.1962 3.2584 3.3108 3.4296 3.5165 3.5345 3.6029 3.6341 4.4516 4.4786 4.4974 4.6246 4.6264 4.6496 4.6851 4.7432 4.8354 4.9535 4.9657 5.0594 5.2380 5.2931 5.3985 5.4351 5.7593 5.7805 5.9772 6.0167 6.1421 6.1602 6.4316 6.4362 6.9020 6.9076 7.1102 7.1117 7.1173 7.1368 8.5346 8.5669 9.1580 9.1596 9.4709 9.4945 9.7154 9.7785 10.8753 10.9026 k = 0.3937 0.5063 0.1826 ( 6946 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7925 -14.7923 -14.7481 -14.7481 -14.7459 -14.7458 -7.0626 -7.0620 -6.7888 -6.7859 -6.4526 -6.4526 -6.3131 -6.3079 -0.8673 -0.8627 1.6238 1.6376 2.0785 2.0961 2.1476 2.1804 2.5640 2.5985 2.8677 2.8887 3.0457 3.0858 3.1786 3.1792 3.1878 3.2437 3.3102 3.4311 3.5019 3.5231 3.5922 3.6254 4.4674 4.4904 4.4939 4.6275 4.6282 4.6472 4.6861 4.7433 4.8506 4.9719 4.9808 5.0724 5.2370 5.2961 5.3974 5.4374 5.7230 5.7448 5.9676 6.0096 6.1642 6.1869 6.4418 6.4461 6.8876 6.8914 7.1214 7.1234 7.1294 7.1492 8.5287 8.5636 9.1724 9.1737 9.5359 9.5534 9.8118 9.8702 10.9262 10.9505 k = 0.3849 0.5187 0.1978 ( 6950 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7925 -14.7924 -14.7481 -14.7481 -14.7459 -14.7458 -7.0537 -7.0530 -6.7792 -6.7761 -6.4733 -6.4733 -6.3124 -6.3068 -0.8569 -0.8521 1.6477 1.6627 2.0448 2.0594 2.1444 2.1799 2.5288 2.5635 2.8566 2.8810 3.0569 3.0981 3.1648 3.1711 3.1839 3.2307 3.3096 3.4323 3.4876 3.5115 3.5822 3.6170 4.4786 4.4961 4.5001 4.6251 4.6325 4.6488 4.6898 4.7430 4.8661 4.9917 4.9966 5.0848 5.2371 5.3003 5.3960 5.4394 5.6856 5.7086 5.9571 6.0015 6.1871 6.2136 6.4525 6.4562 6.8739 6.8759 7.1333 7.1354 7.1419 7.1627 8.5222 8.5596 9.1880 9.1884 9.6016 9.6126 9.9140 9.9667 10.9741 10.9957 k = 0.3760 0.5311 0.2130 ( 6936 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7925 -14.7924 -14.7481 -14.7481 -14.7459 -14.7458 -7.0446 -7.0439 -6.7691 -6.7657 -6.4947 -6.4946 -6.3116 -6.3057 -0.8466 -0.8415 1.6732 1.6894 2.0112 2.0228 2.1428 2.1807 2.4927 2.5274 2.8449 2.8721 3.0609 3.1023 3.1495 3.1627 3.1851 3.2232 3.3087 3.4333 3.4741 3.4998 3.5729 3.6088 4.4807 4.5077 4.5085 4.6203 4.6372 4.6533 4.6959 4.7425 4.8818 5.0128 5.0132 5.0964 5.2387 5.3058 5.3940 5.4408 5.6478 5.6726 5.9458 5.9926 6.2105 6.2399 6.4635 6.4663 6.8612 6.8617 7.1458 7.1476 7.1547 7.1769 8.5152 8.5549 9.2042 9.2048 9.6665 9.6711 10.0214 10.0678 11.0198 11.0391 k = 0.3672 0.5435 0.2282 ( 6944 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7925 -14.7924 -14.7481 -14.7481 -14.7459 -14.7458 -7.0355 -7.0348 -6.7583 -6.7547 -6.5164 -6.5163 -6.3108 -6.3046 -0.8364 -0.8311 1.7000 1.7176 1.9780 1.9869 2.1428 2.1827 2.4560 2.4904 2.8327 2.8621 3.0576 3.0975 3.1335 3.1502 3.1914 3.2247 3.3075 3.4339 3.4622 3.4882 3.5643 3.6008 4.4800 4.5132 4.5243 4.6148 4.6421 4.6591 4.7043 4.7417 4.8973 5.0305 5.0350 5.1072 5.2416 5.3125 5.3911 5.4413 5.6100 5.6372 5.9337 5.9830 6.2339 6.2655 6.4749 6.4765 6.8485 6.8498 7.1584 7.1597 7.1672 7.1913 8.5081 8.5496 9.2211 9.2229 9.7277 9.7290 10.1333 10.1731 11.0639 11.0813 k = 0.3583 0.5558 0.2434 ( 6944 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7925 -14.7924 -14.7481 -14.7481 -14.7459 -14.7458 -7.0267 -7.0259 -6.7469 -6.7431 -6.5381 -6.5380 -6.3100 -6.3034 -0.8266 -0.8211 1.7282 1.7472 1.9456 1.9519 2.1444 2.1861 2.4191 2.4531 2.8198 2.8508 3.0485 3.0859 3.1169 3.1332 3.2006 3.2343 3.3061 3.4337 3.4526 3.4771 3.5562 3.5929 4.4795 4.5170 4.5402 4.6093 4.6468 4.6655 4.7146 4.7411 4.9127 5.0487 5.0581 5.1172 5.2460 5.3205 5.3873 5.4406 5.5732 5.6032 5.9212 5.9728 6.2574 6.2902 6.4864 6.4865 6.8369 6.8396 7.1709 7.1715 7.1791 7.2054 8.5011 8.5441 9.2392 9.2424 9.7812 9.7876 10.2491 10.2821 11.1065 11.1224 k = 0.3495 0.5682 0.2586 ( 6958 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7925 -14.7924 -14.7481 -14.7481 -14.7459 -14.7458 -7.0184 -7.0176 -6.7350 -6.7310 -6.5596 -6.5594 -6.3091 -6.3023 -0.8172 -0.8116 1.7572 1.7780 1.9142 1.9181 2.1476 2.1910 2.3824 2.4157 2.8062 2.8379 3.0357 3.0698 3.0998 3.1135 3.2104 3.2485 3.3043 3.4312 3.4471 3.4665 3.5486 3.5853 4.4797 4.5198 4.5550 4.6045 4.6511 4.6723 4.7259 4.7408 4.9279 5.0677 5.0819 5.1263 5.2518 5.3297 5.3822 5.4374 5.5388 5.5714 5.9082 5.9620 6.2805 6.3137 6.4961 6.4981 6.8271 6.8309 7.1825 7.1830 7.1898 7.2185 8.4944 8.5385 9.2587 9.2633 9.8307 9.8408 10.3679 10.3941 11.1477 11.1621 k = 0.3406 0.5806 0.2738 ( 6958 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7924 -14.7481 -14.7481 -14.7459 -14.7458 -7.0109 -7.0101 -6.7226 -6.7184 -6.5803 -6.5801 -6.3082 -6.3011 -0.8085 -0.8028 1.7866 1.8097 1.8839 1.8862 2.1527 2.1975 2.3462 2.3787 2.7917 2.8231 3.0207 3.0506 3.0824 3.0926 3.2193 3.2649 3.3023 3.4262 3.4461 3.4566 3.5415 3.5778 4.4805 4.5218 4.5672 4.6018 4.6549 4.6797 4.7362 4.7427 4.9426 5.0875 5.1056 5.1344 5.2591 5.3401 5.3758 5.4298 5.5094 5.5425 5.8950 5.9508 6.3034 6.3362 6.5055 6.5097 6.8192 6.8241 7.1927 7.1941 7.1989 7.2302 8.4886 8.5331 9.2796 9.2856 9.8752 9.8877 10.4887 10.5081 11.1873 11.2003 k = 0.3318 0.5929 0.2891 ( 6958 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7924 -14.7481 -14.7481 -14.7459 -14.7458 -7.0049 -7.0041 -6.7098 -6.7053 -6.5997 -6.5994 -6.3073 -6.3000 -0.8005 -0.7948 1.8129 1.8411 1.8562 1.8595 2.1594 2.2056 2.3111 2.3428 2.7761 2.8061 3.0045 3.0295 3.0647 3.0712 3.2269 3.2818 3.3005 3.4205 3.4474 3.4477 3.5347 3.5704 4.4820 4.5234 4.5738 4.6042 4.6580 4.6873 4.7391 4.7524 4.9569 5.1078 5.1266 5.1435 5.2679 5.3511 5.3681 5.4149 5.4884 5.5174 5.8814 5.9392 6.3258 6.3573 6.5144 6.5211 6.8133 6.8191 7.2016 7.2038 7.2061 7.2398 8.4841 8.5285 9.3019 9.3094 9.9139 9.9275 10.6102 10.6227 11.2247 11.2364 k = 0.3229 0.6053 0.3043 ( 6954 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7458 -7.0006 -6.9998 -6.6965 -6.6919 -6.6172 -6.6168 -6.3065 -6.2989 -0.7935 -0.7877 1.8122 1.8263 1.8619 1.8767 2.1674 2.2143 2.2785 2.3090 2.7593 2.7868 2.9879 3.0072 3.0468 3.0502 3.2331 3.2944 3.3028 3.4152 3.4391 3.4506 3.5281 3.5633 4.4841 4.5250 4.5736 4.6128 4.6603 4.6952 4.7403 4.7641 4.9704 5.1285 5.1360 5.1614 5.2783 5.3596 5.3620 5.3937 5.4762 5.4964 5.8678 5.9271 6.3477 6.3771 6.5227 6.5321 6.8096 6.8160 7.2086 7.2093 7.2137 7.2468 8.4813 8.5250 9.3257 9.3345 9.9467 9.9598 10.7303 10.7361 11.2594 11.2700 k = 0.3140 0.6177 0.3195 ( 6950 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7458 -6.9988 -6.9981 -6.6829 -6.6781 -6.6323 -6.6318 -6.3056 -6.2978 -0.7874 -0.7817 1.7878 1.8003 1.8900 1.9102 2.1751 2.2173 2.2553 2.2793 2.7409 2.7648 2.9709 2.9845 3.0289 3.0302 3.2377 3.2940 3.3174 3.4103 3.4316 3.4544 3.5218 3.5563 4.4867 4.5266 4.5701 4.6238 4.6618 4.7033 4.7421 4.7752 4.9828 5.1361 5.1494 5.1843 5.2901 5.3519 5.3599 5.3829 5.4694 5.4793 5.8541 5.9147 6.3692 6.3956 6.5302 6.5425 6.8081 6.8150 7.2100 7.2140 7.2210 7.2512 8.4806 8.5230 9.3508 9.3609 9.9734 9.9851 10.8452 10.8462 11.2909 11.3006 k = 0.3140 0.6177 0.3195 ( 6950 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7458 -6.9988 -6.9981 -6.6829 -6.6781 -6.6323 -6.6318 -6.3056 -6.2978 -0.7874 -0.7817 1.7878 1.8003 1.8900 1.9102 2.1751 2.2173 2.2553 2.2793 2.7409 2.7648 2.9709 2.9845 3.0289 3.0302 3.2377 3.2940 3.3174 3.4103 3.4316 3.4544 3.5218 3.5563 4.4867 4.5266 4.5701 4.6238 4.6618 4.7033 4.7421 4.7752 4.9828 5.1361 5.1494 5.1843 5.2901 5.3519 5.3599 5.3829 5.4694 5.4793 5.8541 5.9147 6.3692 6.3956 6.5302 6.5425 6.8081 6.8150 7.2100 7.2140 7.2210 7.2512 8.4806 8.5230 9.3508 9.3609 9.9734 9.9851 10.8452 10.8462 11.2909 11.3006 k = 0.2944 0.6121 0.3264 ( 6956 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7458 -6.9999 -6.9992 -6.6781 -6.6733 -6.6358 -6.6341 -6.3054 -6.2976 -0.7851 -0.7795 1.7757 1.7886 1.9046 1.9258 2.1767 2.2109 2.2527 2.2680 2.7330 2.7552 2.9527 2.9718 3.0193 3.0365 3.2392 3.2927 3.3242 3.4082 3.4284 3.4558 3.5186 3.5529 4.4882 4.5271 4.5683 4.6286 4.6622 4.7066 4.7434 4.7799 4.9884 5.1319 5.1609 5.1943 5.2954 5.3484 5.3521 5.3867 5.4673 5.4731 5.8471 5.9082 6.3795 6.4046 6.5335 6.5470 6.8082 6.8155 7.1902 7.2072 7.2380 7.2641 8.4809 8.5225 9.3647 9.3774 9.9834 9.9942 10.8903 10.8948 11.3003 11.3079 k = 0.2748 0.6065 0.3332 ( 6967 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7458 -7.0031 -7.0024 -6.6785 -6.6745 -6.6310 -6.6277 -6.3057 -6.2978 -0.7833 -0.7777 1.7639 1.7771 1.9198 1.9419 2.1729 2.1978 2.2552 2.2610 2.7269 2.7475 2.9250 2.9501 3.0239 3.0489 3.2401 3.2908 3.3303 3.4059 3.4250 3.4565 3.5147 3.5491 4.4898 4.5271 4.5668 4.6323 4.6629 4.7091 4.7455 4.7843 4.9948 5.1265 5.1724 5.2029 5.3001 5.3409 5.3505 5.3913 5.4656 5.4685 5.8386 5.8999 6.3913 6.4157 6.5369 6.5511 6.8087 6.8167 7.1681 7.1875 7.2584 7.2830 8.4816 8.5220 9.3840 9.4014 9.9921 10.0024 10.9306 10.9381 11.3043 11.3114 k = 0.2552 0.6009 0.3401 ( 6959 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7480 -14.7480 -14.7459 -14.7458 -7.0079 -7.0072 -6.6837 -6.6803 -6.6188 -6.6145 -6.3065 -6.2985 -0.7818 -0.7764 1.7528 1.7665 1.9352 1.9583 2.1600 2.1805 2.2573 2.2650 2.7219 2.7421 2.8945 2.9251 3.0344 3.0637 3.2404 3.2882 3.3357 3.4036 3.4217 3.4564 3.5100 3.5449 4.4916 4.5269 4.5655 4.6343 4.6641 4.7107 4.7485 4.7882 5.0019 5.1212 5.1826 5.2102 5.3037 5.3343 5.3517 5.3960 5.4638 5.4663 5.8286 5.8897 6.4048 6.4288 6.5405 6.5551 6.8094 6.8183 7.1461 7.1665 7.2752 7.2994 8.4833 8.5222 9.4092 9.4319 10.0004 10.0110 10.9658 10.9759 11.3075 11.3166 k = 0.2355 0.5953 0.3470 ( 6951 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7480 -14.7480 -14.7459 -14.7458 -7.0137 -7.0130 -6.6907 -6.6879 -6.6026 -6.5978 -6.3079 -6.2998 -0.7807 -0.7755 1.7429 1.7571 1.9501 1.9746 2.1397 2.1605 2.2626 2.2743 2.7161 2.7396 2.8626 2.9009 3.0473 3.0799 3.2403 3.2850 3.3403 3.4011 3.4183 3.4558 3.5047 3.5403 4.4937 4.5267 4.5644 4.6345 4.6656 4.7114 4.7522 4.7915 5.0097 5.1165 5.1911 5.2162 5.3057 5.3309 5.3546 5.4007 5.4621 5.4660 5.8170 5.8777 6.4199 6.4440 6.5444 6.5590 6.8103 6.8203 7.1243 7.1454 7.2874 7.3115 8.4865 8.5234 9.4405 9.4683 10.0090 10.0206 10.9961 11.0082 11.3133 11.3246 k = 0.2159 0.5897 0.3539 ( 6949 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7480 -14.7480 -14.7459 -14.7458 -7.0201 -7.0194 -6.6982 -6.6958 -6.5847 -6.5794 -6.3099 -6.3018 -0.7799 -0.7749 1.7344 1.7490 1.9639 1.9907 2.1161 2.1386 2.2717 2.2847 2.7077 2.7405 2.8299 2.8795 3.0614 3.0971 3.2399 3.2813 3.3438 3.3984 3.4151 3.4548 3.4989 3.5352 4.4960 4.5266 4.5632 4.6329 4.6674 4.7113 4.7563 4.7939 5.0180 5.1124 5.1982 5.2207 5.3060 5.3312 5.3588 5.4057 5.4614 5.4665 5.8038 5.8639 6.4365 6.4612 6.5484 6.5626 6.8113 6.8223 7.1028 7.1243 7.2944 7.3185 8.4917 8.5263 9.4775 9.5098 10.0187 10.0319 11.0218 11.0353 11.3229 11.3361 k = 0.1963 0.5841 0.3607 ( 6951 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7480 -14.7480 -14.7459 -14.7458 -7.0267 -7.0261 -6.7056 -6.7035 -6.5658 -6.5602 -6.3126 -6.3045 -0.7794 -0.7747 1.7273 1.7425 1.9753 2.0058 2.0924 2.1169 2.2827 2.2957 2.6956 2.7442 2.7969 2.8620 3.0762 3.1149 3.2392 3.2772 3.3461 3.3953 3.4121 3.4533 3.4926 3.5297 4.4986 4.5268 4.5619 4.6299 4.6693 4.7105 4.7607 4.7956 5.0265 5.1090 5.2039 5.2237 5.3060 5.3345 5.3641 5.4113 5.4616 5.4674 5.7890 5.8483 6.4544 6.4802 6.5526 6.5663 6.8124 6.8244 7.0817 7.1033 7.2960 7.3201 8.4989 8.5308 9.5196 9.5557 10.0298 10.0450 11.0434 11.0578 11.3362 11.3515 k = 0.1767 0.5785 0.3676 ( 6953 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7480 -14.7480 -14.7459 -14.7458 -7.0332 -7.0327 -6.7125 -6.7107 -6.5466 -6.5408 -6.3160 -6.3078 -0.7791 -0.7747 1.7219 1.7374 1.9817 2.0179 2.0717 2.0989 2.2944 2.3065 2.6800 2.7495 2.7645 2.8489 3.0916 3.1333 3.2385 3.2728 3.3471 3.3919 3.4094 3.4515 3.4863 3.5239 4.5016 4.5274 4.5605 4.6256 4.6710 4.7092 4.7650 4.7965 5.0348 5.1062 5.2085 5.2253 5.3068 5.3397 5.3703 5.4178 5.4624 5.4687 5.7729 5.8311 6.4732 6.5007 6.5572 6.5702 6.8136 6.8265 7.0608 7.0825 7.2925 7.3165 8.5081 8.5372 9.5660 9.6051 10.0427 10.0598 11.0612 11.0760 11.3533 11.3706 k = 0.1570 0.5729 0.3745 ( 6948 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7480 -14.7480 -14.7459 -14.7458 -7.0395 -7.0391 -6.7189 -6.7174 -6.5275 -6.5215 -6.3202 -6.3120 -0.7790 -0.7750 1.7180 1.7338 1.9798 2.0196 2.0616 2.0896 2.3063 2.3170 2.6612 2.7306 2.7580 2.8400 3.1071 3.1519 3.2378 3.2683 3.3465 3.3877 3.4073 3.4494 3.4801 3.5180 4.5049 4.5285 4.5589 4.6204 4.6727 4.7074 4.7691 4.7968 5.0427 5.1037 5.2119 5.2257 5.3093 5.3459 5.3775 5.4257 5.4637 5.4701 5.7556 5.8125 6.4924 6.5222 6.5617 6.5748 6.8151 6.8286 7.0403 7.0619 7.2847 7.3082 8.5192 8.5452 9.6156 9.6566 10.0574 10.0761 11.0758 11.0904 11.3738 11.3932 k = 0.1374 0.5674 0.3814 ( 6947 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7480 -14.7480 -14.7459 -14.7458 -7.0454 -7.0450 -6.7247 -6.7234 -6.5088 -6.5025 -6.3251 -6.3170 -0.7790 -0.7754 1.7157 1.7315 1.9690 2.0054 2.0673 2.0908 2.3177 2.3270 2.6405 2.6992 2.7658 2.8343 3.1227 3.1704 3.2372 3.2643 3.3442 3.3826 3.4060 3.4466 3.4747 3.5119 4.5085 4.5301 4.5571 4.6142 4.6743 4.7053 4.7728 4.7967 5.0500 5.1016 5.2144 5.2252 5.3136 5.3520 5.3861 5.4349 5.4652 5.4717 5.7374 5.7926 6.5110 6.5442 6.5660 6.5816 6.8169 6.8309 7.0201 7.0412 7.2733 7.2961 8.5315 8.5543 9.6670 9.7088 10.0735 10.0933 11.0875 11.1017 11.3969 11.4187 k = 0.1178 0.5618 0.3883 ( 6958 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7925 -14.7480 -14.7480 -14.7459 -14.7458 -7.0507 -7.0503 -6.7298 -6.7286 -6.4907 -6.4842 -6.3308 -6.3228 -0.7790 -0.7759 1.7147 1.7303 1.9533 1.9852 2.0794 2.0988 2.3283 2.3361 2.6193 2.6690 2.7740 2.8307 3.1379 3.1884 3.2368 3.2611 3.3403 3.3764 3.4056 3.4429 3.4706 3.5058 4.5125 4.5323 4.5550 4.6074 4.6758 4.7028 4.7760 4.7961 5.0566 5.0995 5.2158 5.2241 5.3196 5.3571 5.3966 5.4452 5.4669 5.4733 5.7188 5.7718 6.5273 6.5641 6.5710 6.5921 6.8193 6.8334 7.0001 7.0203 7.2598 7.2812 8.5443 8.5639 9.7187 9.7598 10.0907 10.1109 11.0970 11.1102 11.4220 11.4464 k = 0.0981 0.5562 0.3951 ( 6960 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7925 -14.7480 -14.7480 -14.7459 -14.7458 -7.0553 -7.0550 -6.7341 -6.7332 -6.4733 -6.4668 -6.3373 -6.3294 -0.7791 -0.7765 1.7151 1.7300 1.9367 1.9645 2.0927 2.1094 2.3381 2.3443 2.5989 2.6407 2.7823 2.8284 3.1525 3.2047 3.2370 3.2598 3.3348 3.3688 3.4059 3.4384 3.4682 3.4999 4.5167 4.5352 4.5528 4.6000 4.6774 4.7002 4.7789 4.7952 5.0625 5.0975 5.2165 5.2226 5.3265 5.3606 5.4090 5.4559 5.4687 5.4753 5.7004 5.7505 6.5403 6.5697 6.5884 6.6068 6.8225 6.8364 6.9805 6.9992 7.2456 7.2650 8.5571 8.5734 9.7687 9.8076 10.1084 10.1281 11.1045 11.1165 11.4480 11.4750 k = 0.0785 0.5506 0.4020 ( 6965 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7926 -14.7480 -14.7480 -14.7459 -14.7458 -7.0592 -7.0589 -6.7377 -6.7369 -6.4570 -6.4505 -6.3444 -6.3368 -0.7792 -0.7771 1.7166 1.7301 1.9216 1.9452 2.1058 2.1201 2.3467 2.3514 2.5806 2.6148 2.7903 2.8266 3.1659 3.2157 3.2406 3.2611 3.3279 3.3600 3.4069 3.4334 3.4674 3.4942 4.5211 4.5387 4.5503 4.5923 4.6790 4.6975 4.7814 4.7942 5.0679 5.0953 5.2166 5.2211 5.3339 5.3625 5.4231 5.4643 5.4715 5.4785 5.6832 5.7291 6.5497 6.5710 6.6081 6.6239 6.8269 6.8400 6.9614 6.9780 7.2320 7.2488 8.5689 8.5820 9.8150 9.8498 10.1259 10.1439 11.1105 11.1209 11.4737 11.5031 k = 0.0589 0.5450 0.4089 ( 6960 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7926 -14.7480 -14.7480 -14.7459 -14.7458 -7.0622 -7.0620 -6.7404 -6.7399 -6.4420 -6.4357 -6.3519 -6.3448 -0.7793 -0.7776 1.7190 1.7303 1.9095 1.9283 2.1177 2.1292 2.3538 2.3572 2.5657 2.5922 2.7977 2.8246 3.1780 3.2179 3.2502 3.2660 3.3202 3.3499 3.4083 3.4283 3.4680 3.4888 4.5255 4.5429 4.5477 4.5844 4.6808 4.6949 4.7836 4.7930 5.0727 5.0929 5.2165 5.2196 5.3410 5.3630 5.4378 5.4678 5.4749 5.4847 5.6687 5.7083 6.5565 6.5714 6.6265 6.6402 6.8330 6.8445 6.9432 6.9569 7.2206 7.2340 8.5793 8.5890 9.8555 9.8841 10.1424 10.1574 11.1153 11.1236 11.4979 11.5287 k = 0.0393 0.5394 0.4158 ( 6964 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7926 -14.7480 -14.7480 -14.7459 -14.7458 -7.0644 -7.0643 -6.7424 -6.7420 -6.4288 -6.4232 -6.3591 -6.3530 -0.7792 -0.7781 1.7218 1.7301 1.9013 1.9146 2.1277 2.1358 2.3594 2.3616 2.5554 2.5737 2.8044 2.8222 3.1883 3.2151 3.2611 3.2740 3.3127 3.3386 3.4103 3.4236 3.4696 3.4838 4.5297 4.5439 4.5489 4.5765 4.6828 4.6922 4.7856 4.7917 5.0770 5.0904 5.2164 5.2184 5.3473 5.3622 5.4516 5.4688 5.4781 5.4906 5.6590 5.6890 6.5614 6.5710 6.6424 6.6529 6.8410 6.8496 6.9271 6.9369 7.2124 7.2217 8.5875 8.5940 9.8879 9.9083 10.1565 10.1674 11.1191 11.1250 11.5198 11.5486 k = 0.0196 0.5338 0.4226 ( 6961 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7926 -14.7480 -14.7480 -14.7459 -14.7459 -7.0658 -7.0657 -6.7436 -6.7434 -6.4183 -6.4146 -6.3644 -6.3605 -0.7791 -0.7786 1.7247 1.7291 1.8977 1.9045 2.1349 2.1392 2.3631 2.3642 2.5507 2.5601 2.8103 2.8192 3.1970 3.2103 3.2706 3.2806 3.3093 3.3266 3.4128 3.4194 3.4721 3.4793 4.5337 4.5409 4.5547 4.5688 4.6849 4.6896 4.7873 4.7904 5.0809 5.0875 5.2165 5.2174 5.3527 5.3602 5.4618 5.4687 5.4827 5.4923 5.6560 5.6726 6.5651 6.5698 6.6542 6.6599 6.8496 6.8544 6.9152 6.9204 7.2082 7.2130 8.5933 8.5965 9.9104 9.9211 10.1670 10.1727 11.1221 11.1251 11.5387 11.5580 k = 0.0000 0.5282 0.4295 ( 6966 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7926 -14.7480 -14.7480 -14.7459 -14.7459 -7.0662 -7.0662 -6.7439 -6.7439 -6.4127 -6.4127 -6.3651 -6.3651 -0.7789 -0.7789 1.7273 1.7273 1.8988 1.8988 2.1389 2.1389 2.3647 2.3647 2.5522 2.5522 2.8152 2.8152 3.2043 3.2043 3.2784 3.2784 3.3153 3.3153 3.4158 3.4158 3.4754 3.4754 4.5375 4.5375 4.5614 4.5614 4.6872 4.6872 4.7889 4.7889 5.0843 5.0843 5.2168 5.2168 5.3570 5.3570 5.4669 5.4669 5.4888 5.4888 5.6609 5.6609 6.5679 6.5679 6.6603 6.6603 6.8552 6.8552 6.9119 6.9119 7.2084 7.2084 8.5963 8.5963 9.9218 9.9218 10.1726 10.1726 11.1241 11.1241 11.5533 11.5533 k = 0.0000 0.5282 0.4295 ( 6966 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7926 -14.7480 -14.7480 -14.7459 -14.7459 -7.0662 -7.0662 -6.7439 -6.7439 -6.4127 -6.4127 -6.3651 -6.3651 -0.7789 -0.7789 1.7273 1.7273 1.8988 1.8988 2.1389 2.1389 2.3647 2.3647 2.5522 2.5522 2.8152 2.8152 3.2043 3.2043 3.2784 3.2784 3.3153 3.3153 3.4158 3.4158 3.4754 3.4754 4.5375 4.5375 4.5614 4.5614 4.6872 4.6872 4.7889 4.7889 5.0843 5.0843 5.2168 5.2168 5.3570 5.3570 5.4669 5.4669 5.4888 5.4888 5.6609 5.6609 6.5679 6.5679 6.6603 6.6603 6.8552 6.8552 6.9119 6.9119 7.2084 7.2084 8.5963 8.5963 9.9218 9.9218 10.1726 10.1726 11.1241 11.1241 11.5533 11.5533 k = 0.0089 0.5157 0.4449 ( 6966 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7926 -14.7480 -14.7480 -14.7459 -14.7459 -7.0658 -7.0658 -6.7436 -6.7435 -6.4131 -6.4130 -6.3655 -6.3652 -0.7799 -0.7794 1.7256 1.7264 1.8889 1.8933 2.1418 2.1495 2.3545 2.3651 2.5537 2.5545 2.8130 2.8278 3.2033 3.2058 3.2781 3.2793 3.3145 3.3146 3.4163 3.4169 3.4745 3.4766 4.5356 4.5377 4.5594 4.5661 4.6869 4.6880 4.7879 4.7897 5.0811 5.0878 5.2139 5.2155 5.3461 5.3683 5.4632 5.4686 5.4829 5.5030 5.6597 5.6640 6.5618 6.5716 6.6591 6.6649 6.8551 6.8577 6.9117 6.9136 7.2066 7.2077 8.5910 8.5966 9.9167 9.9262 10.1729 10.1733 11.1186 11.1225 11.5530 11.5533 k = 0.0179 0.5033 0.4602 ( 6956 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7926 -14.7480 -14.7480 -14.7459 -14.7459 -7.0648 -7.0647 -6.7427 -6.7424 -6.4141 -6.4139 -6.3663 -6.3659 -0.7824 -0.7814 1.7216 1.7232 1.8670 1.8741 2.1565 2.1694 2.3368 2.3567 2.5582 2.5608 2.8211 2.8494 3.2028 3.2080 3.2781 3.2806 3.3124 3.3124 3.4181 3.4198 3.4740 3.4779 4.5329 4.5357 4.5604 4.5724 4.6873 4.6895 4.7868 4.7904 5.0781 5.0915 5.2065 5.2110 5.3384 5.3763 5.4589 5.4689 5.4871 5.5225 5.6604 5.6688 6.5543 6.5726 6.6616 6.6717 6.8574 6.8628 6.9130 6.9167 7.2025 7.2045 8.5807 8.5918 9.9110 9.9301 10.1741 10.1750 11.1061 11.1138 11.5521 11.5527 k = 0.0268 0.4908 0.4755 ( 6958 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7926 -14.7480 -14.7480 -14.7459 -14.7459 -7.0631 -7.0629 -6.7412 -6.7406 -6.4157 -6.4155 -6.3677 -6.3671 -0.7863 -0.7849 1.7151 1.7177 1.8378 1.8458 2.1757 2.1903 2.3167 2.3446 2.5653 2.5708 2.8378 2.8779 3.2028 3.2108 3.2785 3.2823 3.3092 3.3093 3.4206 3.4241 3.4741 3.4795 4.5302 4.5324 4.5635 4.5798 4.6883 4.6916 4.7854 4.7911 5.0753 5.0953 5.1950 5.2040 5.3349 5.3792 5.4551 5.4680 5.5015 5.5456 5.6631 5.6749 6.5460 6.5711 6.6674 6.6796 6.8621 6.8707 6.9155 6.9213 7.1958 7.1987 8.5657 8.5823 9.9047 9.9333 10.1761 10.1777 11.0868 11.0985 11.5498 11.5506 k = 0.0357 0.4783 0.4909 ( 6960 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7926 -14.7480 -14.7480 -14.7459 -14.7458 -7.0607 -7.0605 -6.7390 -6.7383 -6.4180 -6.4177 -6.3696 -6.3687 -0.7916 -0.7897 1.7062 1.7099 1.8048 1.8128 2.1876 2.2005 2.3041 2.3398 2.5748 2.5840 2.8610 2.9110 3.2032 3.2141 3.2792 3.2846 3.3053 3.3056 3.4232 3.4295 3.4750 3.4812 4.5276 4.5288 4.5677 4.5879 4.6897 4.6943 4.7839 4.7917 5.0725 5.0993 5.1805 5.1951 5.3353 5.3785 5.4515 5.4662 5.5243 5.5711 5.6678 5.6822 6.5375 6.5680 6.6755 6.6879 6.8696 6.8816 6.9194 6.9274 7.1869 7.1904 8.5465 8.5684 9.8977 9.9358 10.1790 10.1814 11.0611 11.0767 11.5446 11.5457 k = 0.0446 0.4658 0.5062 ( 6960 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7926 -14.7480 -14.7480 -14.7459 -14.7458 -7.0576 -7.0573 -6.7361 -6.7352 -6.4209 -6.4205 -6.3720 -6.3709 -0.7982 -0.7959 1.6948 1.6999 1.7701 1.7777 2.1786 2.1900 2.3118 2.3527 2.5866 2.5998 2.8886 2.9468 3.2038 3.2180 3.2799 3.2872 3.3015 3.3019 3.4252 3.4356 3.4771 3.4833 4.5252 4.5254 4.5725 4.5965 4.6917 4.6976 4.7822 4.7924 5.0697 5.1028 5.1650 5.1848 5.3386 5.3769 5.4478 5.4635 5.5531 5.5980 5.6746 5.6904 6.5291 6.5641 6.6846 6.6961 6.8801 6.8959 6.9244 6.9351 7.1759 7.1797 8.5235 8.5505 9.8901 9.9377 10.1825 10.1860 11.0294 11.0491 11.5351 11.5364 k = 0.0536 0.4534 0.5216 ( 6956 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7926 -14.7480 -14.7480 -14.7459 -14.7458 -7.0539 -7.0536 -6.7326 -6.7316 -6.4244 -6.4240 -6.3748 -6.3736 -0.8059 -0.8033 1.6809 1.6880 1.7349 1.7426 2.1509 2.1619 2.3373 2.3807 2.6008 2.6180 2.9189 2.9837 3.2045 3.2225 3.2803 3.2897 3.2983 3.2988 3.4262 3.4420 3.4803 3.4858 4.5222 4.5234 4.5777 4.6057 4.6940 4.7015 4.7803 4.7930 5.0669 5.1046 5.1509 5.1735 5.3440 5.3758 5.4442 5.4603 5.5856 5.6247 5.6844 5.6991 6.5210 6.5602 6.6939 6.7038 6.8940 6.9133 6.9305 6.9445 7.1628 7.1665 8.4973 8.5291 9.8818 9.9388 10.1866 10.1913 10.9925 11.0163 11.5201 11.5216 k = 0.0625 0.4409 0.5369 ( 6960 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7926 -14.7480 -14.7480 -14.7459 -14.7458 -7.0495 -7.0491 -6.7285 -6.7273 -6.4285 -6.4280 -6.3782 -6.3767 -0.8147 -0.8118 1.6636 1.6740 1.7003 1.7091 2.1142 2.1244 2.3709 2.4162 2.6171 2.6383 2.9505 3.0206 3.2051 3.2274 3.2799 3.2905 3.2967 3.2985 3.4260 3.4483 3.4847 3.4889 4.5194 4.5219 4.5831 4.6152 4.6966 4.7059 4.7783 4.7938 5.0640 5.1014 5.1418 5.1617 5.3511 5.3759 5.4409 5.4568 5.6204 5.6485 5.6994 5.7083 6.5132 6.5563 6.7030 6.7111 6.9110 6.9329 6.9378 6.9560 7.1481 7.1510 8.4686 8.5049 9.8731 9.9391 10.1910 10.1973 10.9508 10.9787 11.4993 11.5009 k = 0.0714 0.4284 0.5522 ( 6956 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7926 -14.7926 -14.7480 -14.7480 -14.7459 -14.7458 -7.0445 -7.0441 -6.7238 -6.7224 -6.4331 -6.4325 -6.3820 -6.3804 -0.8244 -0.8212 1.6418 1.6562 1.6685 1.6794 2.0735 2.0825 2.4078 2.4549 2.6354 2.6605 2.9824 3.0562 3.2053 3.2328 3.2788 3.2891 3.2969 3.3018 3.4248 3.4541 3.4900 3.4928 4.5172 4.5209 4.5887 4.6249 4.6995 4.7107 4.7762 4.7947 5.0607 5.0912 5.1403 5.1499 5.3593 5.3774 5.4381 5.4532 5.6562 5.6660 5.7182 5.7221 6.5058 6.5528 6.7118 6.7184 6.9306 6.9449 6.9541 6.9711 7.1324 7.1333 8.4379 8.4784 9.8638 9.9388 10.1957 10.2036 10.9052 10.9372 11.4730 11.4745 k = 0.0804 0.4159 0.5676 ( 6958 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7927 -14.7926 -14.7480 -14.7480 -14.7459 -14.7458 -7.0390 -7.0386 -6.7185 -6.7170 -6.4383 -6.4377 -6.3864 -6.3845 -0.8349 -0.8314 1.6150 1.6287 1.6464 1.6545 2.0309 2.0382 2.4459 2.4947 2.6554 2.6843 3.0138 3.0897 3.2052 3.2385 3.2774 3.2880 3.2985 3.3068 3.4226 3.4592 3.4957 3.4976 4.5154 4.5203 4.5943 4.6346 4.7026 4.7160 4.7742 4.7958 5.0568 5.0767 5.1386 5.1435 5.3686 5.3802 5.4360 5.4498 5.6776 5.6906 5.7306 5.7517 6.4989 6.5496 6.7206 6.7258 6.9465 6.9588 6.9712 6.9928 7.1140 7.1166 8.4058 8.4501 9.8541 9.9377 10.2001 10.2100 10.8563 10.8924 11.4425 11.4438 k = 0.0893 0.4035 0.5829 ( 6946 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7927 -14.7926 -14.7480 -14.7480 -14.7459 -14.7458 -7.0330 -7.0325 -6.7127 -6.7110 -6.4439 -6.4433 -6.3912 -6.3892 -0.8460 -0.8423 1.5854 1.5976 1.6282 1.6330 1.9875 1.9929 2.4844 2.5348 2.6769 2.7094 3.0443 3.1199 3.2046 3.2442 3.2764 3.2884 3.3011 3.3131 3.4199 3.4636 3.5016 3.5031 4.5141 4.5202 4.6000 4.6441 4.7060 4.7214 4.7723 4.7972 5.0519 5.0610 5.1284 5.1486 5.3786 5.3843 5.4350 5.4470 5.6859 5.7159 5.7523 5.7850 6.4924 6.5466 6.7298 6.7339 6.9524 6.9821 6.9857 7.0193 7.0942 7.1025 8.3728 8.4205 9.8442 9.9360 10.2041 10.2160 10.8048 10.8451 11.4094 11.4105 k = 0.0982 0.3910 0.5983 ( 6950 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7927 -14.7927 -14.7480 -14.7479 -14.7459 -14.7458 -7.0264 -7.0259 -6.7063 -6.7044 -6.4500 -6.4493 -6.3965 -6.3943 -0.8575 -0.8537 1.5555 1.5675 1.6100 1.6127 1.9439 1.9474 2.5227 2.5746 2.6996 2.7355 3.0732 3.1462 3.2035 3.2491 3.2761 3.2910 3.3043 3.3210 3.4167 3.4674 3.5075 3.5091 4.5133 4.5205 4.6056 4.6529 4.7099 4.7268 4.7708 4.7989 5.0453 5.0455 5.1199 5.1540 5.3891 5.3894 5.4351 5.4451 5.6922 5.7286 5.7863 5.8202 6.4865 6.5437 6.7397 6.7429 6.9525 6.9956 7.0094 7.0457 7.0785 7.0929 8.3394 8.3900 9.8341 9.9337 10.2072 10.2213 10.7516 10.7958 11.3755 11.3766 k = 0.1071 0.3785 0.6136 ( 6962 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7927 -14.7927 -14.7480 -14.7479 -14.7459 -14.7458 -7.0195 -7.0189 -6.6994 -6.6973 -6.4565 -6.4558 -6.4022 -6.3999 -0.8692 -0.8654 1.5266 1.5389 1.5914 1.5929 1.9005 1.9020 2.5606 2.6137 2.7230 2.7621 3.1002 3.1679 3.2022 3.2529 3.2767 3.2958 3.3078 3.3311 3.4133 3.4709 3.5130 3.5154 4.5130 4.5213 4.6110 4.6604 4.7145 4.7320 4.7701 4.8011 5.0301 5.0372 5.1132 5.1590 5.3951 5.4001 5.4367 5.4445 5.6968 5.7359 5.8247 5.8563 6.4811 6.5409 6.7510 6.7532 6.9456 6.9973 7.0355 7.0560 7.0877 7.0918 8.3061 8.3590 9.8239 9.9308 10.2090 10.2253 10.6972 10.7453 11.3428 11.3438 k = 0.1161 0.3661 0.6289 ( 6962 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7927 -14.7927 -14.7480 -14.7479 -14.7459 -14.7458 -7.0122 -7.0116 -6.6920 -6.6898 -6.4634 -6.4626 -6.4084 -6.4059 -0.8811 -0.8772 1.4993 1.5122 1.5727 1.5733 1.8573 1.8577 2.5978 2.6517 2.7470 2.7889 3.1250 3.1853 3.2010 3.2557 3.2781 3.3015 3.3114 3.3437 3.4103 3.4744 3.5181 3.5216 4.5132 4.5226 4.6163 4.6661 4.7204 4.7364 4.7706 4.8038 5.0156 5.0272 5.1084 5.1631 5.4015 5.4112 5.4399 5.4457 5.7002 5.7407 5.8642 5.8928 6.4763 6.5379 6.7640 6.7650 6.9310 6.9833 7.0588 7.0631 7.1005 7.1172 8.2730 8.3277 9.8140 9.9275 10.2090 10.2278 10.6424 10.6942 11.3127 11.3138 k = 0.1250 0.3536 0.6443 ( 6966 PWs) bands (ev): -15.7920 -15.7920 -15.7901 -15.7901 -14.7927 -14.7927 -14.7480 -14.7479 -14.7459 -14.7458 -7.0046 -7.0040 -6.6841 -6.6818 -6.4705 -6.4697 -6.4151 -6.4124 -0.8930 -0.8891 1.4740 1.4876 1.5539 1.5541 1.8134 1.8158 2.6341 2.6886 2.7710 2.8155 3.1473 3.1989 3.2001 3.2580 3.2801 3.3072 3.3152 3.3574 3.4088 3.4779 3.5227 3.5276 4.5139 4.5242 4.6211 4.6693 4.7279 4.7397 4.7727 4.8070 5.0019 5.0158 5.1048 5.1658 5.4084 5.4221 5.4449 5.4493 5.7022 5.7437 5.9036 5.9291 6.4722 6.5347 6.7782 6.7791 6.9103 6.9593 7.0770 7.0790 7.1202 7.1478 8.2405 8.2965 9.8043 9.9238 10.2070 10.2284 10.5880 10.6431 11.2865 11.2877 k = 0.1339 0.3411 0.6596 ( 6964 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7927 -14.7927 -14.7480 -14.7479 -14.7459 -14.7458 -6.9967 -6.9961 -6.6758 -6.6734 -6.4779 -6.4771 -6.4221 -6.4193 -0.9047 -0.9009 1.4509 1.4652 1.5352 1.5355 1.7708 1.7748 2.6694 2.7242 2.7947 2.8412 3.1669 3.1999 3.2097 3.2605 3.2827 3.3121 3.3189 3.3687 3.4111 3.4818 3.5266 3.5330 4.5152 4.5263 4.6255 4.6701 4.7371 4.7419 4.7767 4.8108 4.9892 5.0035 5.1020 5.1668 5.4159 5.4324 5.4516 5.4555 5.7029 5.7451 5.9424 5.9648 6.4688 6.5313 6.7929 6.7959 6.8856 6.9316 7.0955 7.0967 7.1454 7.1780 8.2089 8.2655 9.7951 9.9198 10.2026 10.2267 10.5344 10.5923 11.2653 11.2664 k = 0.1429 0.3286 0.6750 ( 6984 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7927 -14.7480 -14.7479 -14.7459 -14.7458 -6.9887 -6.9881 -6.6671 -6.6645 -6.4854 -6.4846 -6.4296 -6.4266 -0.9160 -0.9124 1.4301 1.4452 1.5169 1.5174 1.7294 1.7352 2.7035 2.7581 2.8178 2.8658 3.1832 3.2013 3.2183 3.2637 3.2856 3.3162 3.3224 3.3736 3.4201 3.4861 3.5298 3.5377 4.5169 4.5288 4.6290 4.6687 4.7435 4.7474 4.7820 4.8151 4.9775 4.9904 5.0995 5.1660 5.4241 5.4422 5.4596 5.4642 5.7023 5.7448 5.9800 5.9996 6.4661 6.5276 6.8077 6.8133 6.8601 6.9037 7.1147 7.1159 7.1717 7.2069 8.1782 8.2348 9.7866 9.9155 10.1958 10.2227 10.4824 10.5425 11.2497 11.2506 k = 0.1518 0.3162 0.6903 ( 6972 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7927 -14.7480 -14.7479 -14.7459 -14.7458 -6.9807 -6.9801 -6.6580 -6.6553 -6.4930 -6.4922 -6.4374 -6.4344 -0.9270 -0.9234 1.4117 1.4275 1.4994 1.5001 1.6897 1.6970 2.7363 2.7904 2.8399 2.8886 3.1945 3.2064 3.2251 3.2680 3.2889 3.3195 3.3257 3.3729 3.4344 3.4908 3.5322 3.5417 4.5193 4.5317 4.6316 4.6656 4.7452 4.7584 4.7884 4.8200 4.9668 4.9771 5.0970 5.1634 5.4332 5.4521 5.4689 5.4749 5.7006 5.7430 6.0161 6.0331 6.4642 6.5237 6.8177 6.8187 6.8485 6.8811 7.1341 7.1371 7.1972 7.2336 8.1486 8.2045 9.7792 9.9110 10.1866 10.2165 10.4324 10.4938 11.2399 11.2402 k = 0.1607 0.3037 0.7056 ( 6976 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7480 -14.7479 -14.7459 -14.7458 -6.9727 -6.9721 -6.6486 -6.6458 -6.5005 -6.4997 -6.4457 -6.4425 -0.9373 -0.9340 1.3960 1.4124 1.4828 1.4836 1.6516 1.6604 2.7677 2.8207 2.8609 2.9092 3.2001 3.2161 3.2303 3.2736 3.2924 3.3220 3.3288 3.3697 3.4501 3.4959 3.5339 3.5447 4.5222 4.5350 4.6330 4.6610 4.7474 4.7697 4.7952 4.8253 4.9572 4.9637 5.0943 5.1590 5.4431 5.4625 5.4789 5.4864 5.6978 5.7396 6.0503 6.0648 6.4630 6.5197 6.7945 6.8128 6.8665 6.8770 7.1541 7.1589 7.2208 7.2577 8.1204 8.1749 9.7730 9.9063 10.1754 10.2081 10.3849 10.4467 11.2350 11.2359 k = 0.1696 0.2912 0.7210 ( 6974 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7480 -14.7479 -14.7459 -14.7458 -6.9649 -6.9643 -6.6390 -6.6360 -6.5079 -6.5072 -6.4542 -6.4510 -0.9470 -0.9438 1.3829 1.3998 1.4673 1.4681 1.6155 1.6255 2.7973 2.8489 2.8805 2.9273 3.2047 3.2261 3.2342 3.2803 3.2961 3.3235 3.3315 3.3656 3.4655 3.5013 3.5349 3.5468 4.5256 4.5387 4.6329 4.6552 4.7507 4.7809 4.8021 4.8310 4.9485 4.9504 5.0913 5.1531 5.4540 5.4736 5.4895 5.4983 5.6940 5.7349 6.0823 6.0945 6.4625 6.5155 6.7669 6.7902 6.8909 6.8918 7.1746 7.1809 7.2419 7.2785 8.0936 8.1460 9.7685 9.9016 10.1625 10.1981 10.3406 10.4014 11.2345 11.2372 k = 0.1786 0.2787 0.7363 ( 6968 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7480 -14.7479 -14.7459 -14.7458 -6.9574 -6.9568 -6.6290 -6.6259 -6.5150 -6.5143 -6.4632 -6.4599 -0.9559 -0.9530 1.3725 1.3898 1.4530 1.4538 1.5813 1.5925 2.8251 2.8746 2.8986 2.9427 3.2096 3.2351 3.2371 3.2878 3.3000 3.3240 3.3339 3.3614 3.4796 3.5068 3.5352 3.5480 4.5297 4.5428 4.6315 4.6485 4.7553 4.7916 4.8090 4.8371 4.9373 4.9407 5.0881 5.1460 5.4656 5.4854 5.5002 5.5100 5.6893 5.7289 6.1117 6.1217 6.4627 6.5113 6.7399 6.7632 6.9135 6.9172 7.1952 7.2026 7.2599 7.2958 8.0685 8.1181 9.7658 9.8968 10.1485 10.1870 10.2998 10.3581 11.2378 11.2429 k = 0.1875 0.2663 0.7517 ( 6974 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7480 -14.7479 -14.7459 -14.7458 -6.9502 -6.9497 -6.6188 -6.6157 -6.5217 -6.5211 -6.4724 -6.4690 -0.9639 -0.9613 1.3648 1.3825 1.4401 1.4408 1.5492 1.5615 2.8508 2.8976 2.9151 2.9554 3.2150 3.2393 3.2431 3.2954 3.3041 3.3236 3.3361 3.3578 3.4922 3.5122 3.5350 3.5481 4.5343 4.5473 4.6287 4.6412 4.7611 4.8015 4.8156 4.8434 4.9245 4.9338 5.0848 5.1379 5.4777 5.4976 5.5109 5.5212 5.6839 5.7218 6.1381 6.1463 6.4634 6.5070 6.7146 6.7363 6.9376 6.9441 7.2154 7.2234 7.2746 7.3092 8.0453 8.0914 9.7653 9.8917 10.1341 10.1754 10.2631 10.3171 11.2438 11.2519 k = 0.1964 0.2538 0.7670 ( 6978 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7480 -14.7479 -14.7459 -14.7458 -6.9437 -6.9432 -6.6085 -6.6052 -6.5279 -6.5274 -6.4819 -6.4785 -0.9709 -0.9687 1.3599 1.3778 1.4287 1.4293 1.5195 1.5327 2.8741 2.9174 2.9302 2.9656 3.2204 3.2408 3.2501 3.3018 3.3086 3.3231 3.3380 3.3549 3.5029 3.5173 3.5344 3.5474 4.5395 4.5521 4.6247 4.6332 4.7681 4.8103 4.8217 4.8496 4.9124 4.9276 5.0818 5.1292 5.4902 5.5097 5.5211 5.5315 5.6782 5.7138 6.1613 6.1678 6.4646 6.5028 6.6916 6.7111 6.9625 6.9710 7.2346 7.2429 7.2861 7.3187 8.0245 8.0662 9.7673 9.8863 10.1202 10.1638 10.2309 10.2787 11.2516 11.2628 k = 0.2054 0.2413 0.7823 ( 6968 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7480 -14.7479 -14.7459 -14.7458 -6.9378 -6.9373 -6.5980 -6.5946 -6.5334 -6.5331 -6.4916 -6.4882 -0.9770 -0.9751 1.3578 1.3759 1.4189 1.4193 1.4920 1.5061 2.8946 2.9335 2.9439 2.9737 3.2255 3.2418 3.2564 3.3045 3.3136 3.3245 3.3398 3.3528 3.5117 3.5220 3.5339 3.5460 4.5453 4.5573 4.6198 4.6249 4.7761 4.8180 4.8272 4.8549 4.9015 4.9221 5.0793 5.1203 5.5027 5.5214 5.5307 5.5406 5.6725 5.7051 6.1812 6.1862 6.4663 6.4987 6.6716 6.6884 6.9871 6.9968 7.2522 7.2604 7.2948 7.3246 8.0064 8.0429 9.7717 9.8800 10.1079 10.1529 10.2036 10.2431 11.2605 11.2741 k = 0.2143 0.2288 0.7977 ( 6972 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7459 -14.7458 -6.9327 -6.9323 -6.5874 -6.5840 -6.5382 -6.5379 -6.5016 -6.4982 -0.9820 -0.9805 1.3585 1.3766 1.4108 1.4110 1.4672 1.4818 2.9123 2.9454 2.9563 2.9802 3.2298 3.2424 3.2621 3.3027 3.3190 3.3286 3.3415 3.3512 3.5184 3.5259 3.5336 3.5440 4.5516 4.5629 4.6141 4.6164 4.7850 4.8242 4.8319 4.8580 4.8932 4.9170 5.0776 5.1115 5.5149 5.5322 5.5391 5.5481 5.6672 5.6961 6.1975 6.2012 6.4684 6.4947 6.6550 6.6688 7.0104 7.0204 7.2674 7.2752 7.3014 7.3272 7.9914 8.0220 9.7786 9.8724 10.0985 10.1432 10.1812 10.2108 11.2697 11.2843 k = 0.2232 0.2164 0.8130 ( 6974 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7459 -14.7458 -6.9286 -6.9283 -6.5769 -6.5733 -6.5420 -6.5419 -6.5117 -6.5083 -0.9859 -0.9847 1.3619 1.3799 1.4043 1.4046 1.4450 1.4600 2.9267 2.9528 2.9673 2.9853 3.2335 3.2425 3.2673 3.2983 3.3248 3.3333 3.3430 3.3498 3.5230 3.5288 3.5342 3.5418 4.5585 4.5687 4.6077 4.6080 4.7945 4.8290 4.8356 4.8563 4.8897 4.9124 5.0770 5.1031 5.5264 5.5413 5.5462 5.5535 5.6630 5.6869 6.2103 6.2128 6.4708 6.4908 6.6421 6.6527 7.0313 7.0404 7.2792 7.2863 7.3071 7.3274 7.9801 8.0039 9.7878 9.8630 10.0932 10.1347 10.1638 10.1826 11.2788 11.2923 k = 0.2321 0.2039 0.8284 ( 6980 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7459 -14.7458 -6.9255 -6.9253 -6.5664 -6.5627 -6.5449 -6.5446 -6.5218 -6.5186 -0.9886 -0.9878 1.3680 1.3854 1.3992 1.4000 1.4260 1.4409 2.9382 2.9560 2.9766 2.9888 3.2363 3.2422 3.2722 3.2930 3.3302 3.3369 3.3442 3.3485 3.5257 3.5303 3.5355 3.5399 4.5658 4.5748 4.5991 4.6015 4.8045 4.8318 4.8384 4.8502 4.8912 4.9079 5.0777 5.0955 5.5367 5.5483 5.5515 5.5564 5.6608 5.6782 6.2194 6.2210 6.4736 6.4870 6.6333 6.6405 7.0483 7.0554 7.2870 7.2931 7.3128 7.3263 7.9729 7.9892 9.7991 9.8518 10.0928 10.1270 10.1513 10.1597 11.2870 11.2973 k = 0.2411 0.1914 0.8437 ( 6980 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7459 -14.7458 -6.9237 -6.9236 -6.5565 -6.5528 -6.5467 -6.5460 -6.5315 -6.5286 -0.9902 -0.9898 1.3765 1.3912 1.3958 1.3974 1.4123 1.4246 2.9467 2.9557 2.9837 2.9899 3.2386 3.2415 3.2771 3.2875 3.3348 3.3386 3.3452 3.3472 3.5275 3.5302 3.5369 3.5388 4.5734 4.5809 4.5908 4.5950 4.8147 4.8310 4.8401 4.8439 4.8949 4.9035 5.0799 5.0889 5.5453 5.5524 5.5548 5.5566 5.6613 5.6706 6.2250 6.2257 6.4767 6.4834 6.6287 6.6323 7.0603 7.0642 7.2918 7.2955 7.3181 7.3246 7.9702 7.9785 9.8118 9.8391 10.0977 10.1180 10.1435 10.1453 11.2935 11.2991 k = 0.2500 0.1789 0.8590 ( 6980 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7458 -14.7458 -6.9230 -6.9230 -6.5498 -6.5498 -6.5453 -6.5453 -6.5365 -6.5365 -0.9906 -0.9906 1.3862 1.3862 1.3965 1.3965 1.4126 1.4126 2.9525 2.9525 2.9883 2.9883 3.2402 3.2402 3.2822 3.2822 3.3378 3.3378 3.3462 3.3462 3.5290 3.5290 3.5380 3.5380 4.5810 4.5810 4.5888 4.5888 4.8243 4.8243 4.8413 4.8413 4.8992 4.8992 5.0837 5.0837 5.5513 5.5513 5.5560 5.5560 5.6647 5.6647 6.2270 6.2270 6.4799 6.4799 6.6284 6.6284 7.0658 7.0658 7.2947 7.2947 7.3221 7.3221 7.9720 7.9720 9.8254 9.8254 10.1070 10.1070 10.1408 10.1408 11.2978 11.2978 k = 0.2500 0.1789 0.8590 ( 6980 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7458 -14.7458 -6.9230 -6.9230 -6.5498 -6.5498 -6.5453 -6.5453 -6.5365 -6.5365 -0.9906 -0.9906 1.3862 1.3862 1.3965 1.3965 1.4126 1.4126 2.9525 2.9525 2.9883 2.9883 3.2402 3.2402 3.2822 3.2822 3.3378 3.3378 3.3462 3.3462 3.5290 3.5290 3.5380 3.5380 4.5810 4.5810 4.5888 4.5888 4.8243 4.8243 4.8413 4.8413 4.8992 4.8992 5.0837 5.0837 5.5513 5.5513 5.5560 5.5560 5.6647 5.6647 6.2270 6.2270 6.4799 6.4799 6.6284 6.6284 7.0658 7.0658 7.2947 7.2947 7.3221 7.3221 7.9720 7.9720 9.8254 9.8254 10.1070 10.1070 10.1408 10.1408 11.2978 11.2978 k = 0.2639 0.1889 0.8468 ( 6982 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7459 -14.7458 -6.9232 -6.9231 -6.5523 -6.5497 -6.5468 -6.5462 -6.5351 -6.5328 -0.9906 -0.9904 1.3593 1.3647 1.4027 1.4065 1.4316 1.4317 2.9351 2.9381 3.0013 3.0020 3.2375 3.2387 3.2722 3.2778 3.3414 3.3426 3.3493 3.3513 3.5273 3.5281 3.5393 3.5396 4.5765 4.5826 4.5867 4.5940 4.8192 4.8280 4.8410 4.8419 4.8968 4.9013 5.0817 5.0870 5.5272 5.5306 5.5778 5.5779 5.6632 5.6675 6.2264 6.2268 6.4758 6.4799 6.6314 6.6331 7.0634 7.0658 7.2934 7.2951 7.3210 7.3241 7.9683 7.9729 9.8160 9.8333 10.0503 10.0640 10.1940 10.1943 11.2929 11.2946 k = 0.2778 0.1988 0.8346 ( 6984 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7459 -14.7458 -6.9237 -6.9236 -6.5556 -6.5522 -6.5485 -6.5474 -6.5306 -6.5278 -0.9903 -0.9898 1.3303 1.3359 1.4081 1.4115 1.4638 1.4647 2.9065 2.9107 3.0213 3.0233 3.2295 3.2296 3.2595 3.2680 3.3414 3.3445 3.3646 3.3677 3.5247 3.5252 3.5425 3.5429 4.5711 4.5820 4.5856 4.6014 4.8142 4.8287 4.8420 4.8423 4.8945 4.9027 5.0808 5.0917 5.5011 5.5062 5.6011 5.6014 5.6639 5.6704 6.2250 6.2257 6.4686 6.4772 6.6414 6.6444 7.0587 7.0634 7.2913 7.2931 7.3223 7.3269 7.9616 7.9703 9.8009 9.8395 9.9858 10.0163 10.2630 10.2634 11.2844 11.2856 k = 0.2917 0.2088 0.8224 ( 6987 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7459 -14.7458 -6.9244 -6.9242 -6.5591 -6.5559 -6.5491 -6.5482 -6.5259 -6.5230 -0.9896 -0.9890 1.3036 1.3091 1.4149 1.4172 1.4985 1.5002 2.8749 2.8800 3.0376 3.0447 3.2097 3.2160 3.2536 3.2617 3.3404 3.3444 3.3838 3.3857 3.5216 3.5216 3.5461 3.5475 4.5654 4.5809 4.5848 4.6090 4.8094 4.8268 4.8415 4.8446 4.8923 4.9034 5.0811 5.0978 5.4757 5.4816 5.6212 5.6233 5.6676 5.6738 6.2228 6.2239 6.4602 6.4733 6.6570 6.6613 7.0518 7.0587 7.2896 7.2909 7.3238 7.3293 7.9516 7.9640 9.7766 9.8346 9.9371 9.9828 10.3331 10.3340 11.2749 11.2753 k = 0.3056 0.2187 0.8101 ( 6988 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7459 -14.7458 -6.9251 -6.9250 -6.5624 -6.5595 -6.5495 -6.5486 -6.5217 -6.5189 -0.9886 -0.9878 1.2795 1.2847 1.4232 1.4243 1.5348 1.5371 2.8414 2.8476 3.0487 3.0642 3.1855 3.2013 3.2514 3.2587 3.3390 3.3438 3.4019 3.4024 3.5179 3.5180 3.5504 3.5531 4.5597 4.5797 4.5843 4.6166 4.8050 4.8234 4.8404 4.8470 4.8900 4.9032 5.0825 5.1051 5.4515 5.4575 5.6345 5.6416 5.6767 5.6787 6.2199 6.2214 6.4524 6.4695 6.6768 6.6825 7.0433 7.0520 7.2883 7.2892 7.3246 7.3310 7.9383 7.9539 9.7417 9.8008 9.9237 9.9668 10.4027 10.4039 11.2656 11.2680 k = 0.3194 0.2287 0.7979 ( 6972 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7459 -14.7458 -6.9259 -6.9257 -6.5653 -6.5627 -6.5495 -6.5487 -6.5183 -6.5156 -0.9872 -0.9862 1.2581 1.2630 1.4326 1.4328 1.5722 1.5750 2.8068 2.8141 3.0526 3.0809 3.1613 3.1904 3.2503 3.2572 3.3373 3.3430 3.4149 3.4190 3.5140 3.5147 3.5551 3.5596 4.5539 4.5785 4.5840 4.6239 4.8010 4.8190 4.8386 4.8489 4.8878 4.9024 5.0849 5.1135 5.4287 5.4344 5.6400 5.6533 5.6872 5.6911 6.2164 6.2182 6.4462 6.4669 6.6999 6.7070 7.0334 7.0438 7.2874 7.2880 7.3246 7.3318 7.9220 7.9401 9.6997 9.7485 9.9360 9.9657 10.4703 10.4717 11.2597 11.2643 k = 0.3333 0.2386 0.7857 ( 6976 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7459 -14.7458 -6.9266 -6.9264 -6.5678 -6.5656 -6.5493 -6.5485 -6.5157 -6.5133 -0.9853 -0.9841 1.2396 1.2442 1.4422 1.4438 1.6103 1.6137 2.7712 2.7797 3.0482 3.0916 3.1418 3.1863 3.2494 3.2563 3.3353 3.3418 3.4237 3.4330 3.5098 3.5122 3.5602 3.5668 4.5481 4.5771 4.5836 4.6307 4.7975 4.8138 4.8363 4.8504 4.8854 4.9010 5.0881 5.1229 5.4075 5.4126 5.6407 5.6581 5.6989 5.7068 6.2123 6.2143 6.4424 6.4660 6.7254 6.7340 7.0226 7.0342 7.2866 7.2870 7.3237 7.3318 7.9031 7.9229 9.6557 9.6941 9.9584 9.9753 10.5343 10.5358 11.2585 11.2655 k = 0.3472 0.2485 0.7734 ( 6977 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7459 -14.7458 -6.9272 -6.9271 -6.5698 -6.5679 -6.5487 -6.5480 -6.5142 -6.5120 -0.9829 -0.9816 1.2239 1.2282 1.4528 1.4557 1.6488 1.6528 2.7353 2.7449 3.0366 3.0873 3.1368 3.1888 3.2486 3.2557 3.3330 3.3403 3.4279 3.4437 3.5058 3.5110 3.5654 3.5745 4.5425 4.5757 4.5833 4.6369 4.7944 4.8080 4.8334 4.8514 4.8829 4.8991 5.0922 5.1329 5.3881 5.3923 5.6389 5.6587 5.7107 5.7206 6.2076 6.2099 6.4414 6.4673 6.7525 6.7626 7.0113 7.0237 7.2858 7.2860 7.3222 7.3310 7.8822 7.9030 9.6131 9.6426 9.9863 9.9924 10.5930 10.5943 11.2636 11.2730 k = 0.3611 0.2585 0.7612 ( 6980 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7459 -14.7458 -6.9277 -6.9275 -6.5714 -6.5699 -6.5480 -6.5473 -6.5137 -6.5117 -0.9800 -0.9787 1.2111 1.2152 1.4643 1.4685 1.6873 1.6918 2.6993 2.7102 3.0207 3.0701 3.1447 3.1955 3.2479 3.2553 3.3304 3.3387 3.4277 3.4507 3.5026 3.5110 3.5706 3.5824 4.5369 4.5743 4.5829 4.6425 4.7917 4.8018 4.8301 4.8520 4.8802 4.8969 5.0970 5.1435 5.3706 5.3737 5.6354 5.6568 5.7202 5.7312 6.2025 6.2050 6.4432 6.4707 6.7806 6.7917 6.9997 7.0126 7.2848 7.2848 7.3201 7.3297 7.8602 7.8812 9.5741 9.5958 10.0151 10.0180 10.6444 10.6455 11.2757 11.2874 k = 0.3750 0.2684 0.7490 ( 6972 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7459 -14.7458 -6.9280 -6.9278 -6.5726 -6.5716 -6.5469 -6.5462 -6.5142 -6.5125 -0.9766 -0.9752 1.2013 1.2051 1.4763 1.4819 1.7254 1.7303 2.6637 2.6759 3.0033 3.0504 3.1557 3.2043 3.2472 3.2549 3.3275 3.3369 3.4238 3.4533 3.5008 3.5122 3.5756 3.5899 4.5316 4.5728 4.5826 4.6475 4.7894 4.7953 4.8262 4.8522 4.8775 4.8947 5.1024 5.1545 5.3550 5.3568 5.6305 5.6533 5.7268 5.7382 6.1969 6.1995 6.4479 6.4762 6.8087 6.8204 6.9880 7.0011 7.2832 7.2836 7.3175 7.3277 7.8385 7.8589 9.5397 9.5547 10.0421 10.0526 10.6869 10.6879 11.2943 11.3076 k = 0.3889 0.2784 0.7368 ( 6970 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7480 -14.7479 -14.7459 -14.7458 -6.9281 -6.9280 -6.5735 -6.5729 -6.5456 -6.5449 -6.5156 -6.5143 -0.9727 -0.9712 1.1943 1.1980 1.4888 1.4958 1.7624 1.7677 2.6292 2.6428 2.9861 3.0318 3.1663 3.2137 3.2466 3.2546 3.3243 3.3349 3.4169 3.4514 3.5007 3.5139 3.5800 3.5967 4.5265 4.5712 4.5822 4.6519 4.7874 4.7885 4.8220 4.8520 4.8746 4.8924 5.1082 5.1657 5.3413 5.3418 5.6242 5.6482 5.7301 5.7413 6.1910 6.1937 6.4549 6.4835 6.8358 6.8474 6.9765 6.9894 7.2811 7.2822 7.3143 7.3251 7.8185 7.8374 9.5109 9.5196 10.0724 10.0895 10.7198 10.7204 11.3137 11.3232 k = 0.4028 0.2883 0.7245 ( 6966 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7480 -14.7479 -14.7459 -14.7458 -6.9281 -6.9279 -6.5741 -6.5740 -6.5439 -6.5433 -6.5179 -6.5171 -0.9683 -0.9667 1.1903 1.1938 1.5015 1.5099 1.7977 1.8033 2.5965 2.6116 2.9703 3.0154 3.1758 3.2227 3.2459 3.2547 3.3207 3.3329 3.4080 3.4460 3.5016 3.5158 3.5837 3.6024 4.5216 4.5697 4.5817 4.6557 4.7816 4.7857 4.8174 4.8513 4.8719 4.8901 5.1145 5.1770 5.3287 5.3295 5.6167 5.6420 5.7302 5.7408 6.1848 6.1875 6.4639 6.4921 6.8608 6.8715 6.9653 6.9775 7.2786 7.2804 7.3103 7.3216 7.8017 7.8184 9.4878 9.4909 10.1051 10.1280 10.7427 10.7430 11.3158 11.3166 k = 0.4167 0.2982 0.7123 ( 6964 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7480 -14.7479 -14.7459 -14.7458 -6.9279 -6.9278 -6.5750 -6.5745 -6.5420 -6.5415 -6.5208 -6.5205 -0.9633 -0.9617 1.1892 1.1925 1.5143 1.5241 1.8305 1.8362 2.5662 2.5829 2.9564 3.0018 3.1838 3.2304 3.2453 3.2554 3.3168 3.3308 3.3975 3.4381 3.5026 3.5178 3.5867 3.6068 4.5170 4.5680 4.5811 4.6590 4.7748 4.7842 4.8127 4.8501 4.8692 4.8880 5.1210 5.1883 5.3173 5.3196 5.6080 5.6345 5.7275 5.7371 6.1783 6.1809 6.4740 6.5016 6.8829 6.8913 6.9550 6.9657 7.2758 7.2780 7.3051 7.3168 7.7898 7.8035 9.4689 9.4708 10.1394 10.1674 10.7564 10.7565 11.2931 11.2989 k = 0.4306 0.3082 0.7001 ( 6972 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7480 -14.7479 -14.7459 -14.7458 -6.9276 -6.9275 -6.5762 -6.5749 -6.5399 -6.5394 -6.5244 -6.5241 -0.9580 -0.9564 1.1909 1.1941 1.5270 1.5382 1.8597 1.8656 2.5394 2.5578 2.9450 2.9912 3.1900 3.2358 3.2446 3.2571 3.3125 3.3286 3.3861 3.4285 3.5032 3.5195 3.5889 3.6097 4.5127 4.5664 4.5804 4.6618 4.7681 4.7826 4.8078 4.8481 4.8669 4.8859 5.1277 5.1995 5.3076 5.3113 5.5981 5.6260 5.7222 5.7305 6.1715 6.1740 6.4848 6.5114 6.9011 6.9048 6.9468 6.9540 7.2726 7.2751 7.2981 7.3103 7.7841 7.7942 9.4535 9.4599 10.1744 10.2072 10.7619 10.7620 11.2634 11.2714 k = 0.4444 0.3181 0.6879 ( 6971 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7480 -14.7479 -14.7459 -14.7458 -6.9273 -6.9272 -6.5777 -6.5756 -6.5375 -6.5375 -6.5281 -6.5274 -0.9522 -0.9506 1.1954 1.1986 1.5396 1.5522 1.8844 1.8903 2.5171 2.5373 2.9362 2.9837 3.1943 3.2388 3.2439 3.2602 3.3080 3.3265 3.3741 3.4176 3.5030 3.5209 3.5904 3.6112 4.5089 4.5647 4.5795 4.6644 4.7617 4.7809 4.8030 4.8453 4.8652 4.8841 5.1345 5.2105 5.2997 5.3045 5.5872 5.6168 5.7149 5.7217 6.1644 6.1668 6.4956 6.5211 6.9089 6.9142 6.9434 6.9439 7.2694 7.2714 7.2888 7.3019 7.7855 7.7916 9.4450 9.4551 10.2090 10.2465 10.7601 10.7607 11.2286 11.2383 k = 0.4583 0.3281 0.6756 ( 6963 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7480 -14.7479 -14.7459 -14.7458 -6.9271 -6.9270 -6.5799 -6.5769 -6.5365 -6.5350 -6.5301 -6.5301 -0.9462 -0.9446 1.2026 1.2057 1.5521 1.5660 1.9034 1.9093 2.5003 2.5225 2.9301 2.9794 3.1965 3.2396 3.2430 3.2637 3.3031 3.3243 3.3620 3.4059 3.5019 3.5220 3.5913 3.6113 4.5055 4.5631 4.5786 4.6667 4.7556 4.7789 4.7985 4.8415 4.8640 4.8825 5.1413 5.2212 5.2932 5.2991 5.5756 5.6069 5.7059 5.7112 6.1572 6.1594 6.5057 6.5303 6.9034 6.9177 6.9386 6.9462 7.2660 7.2664 7.2773 7.2924 7.7937 7.7957 9.4430 9.4562 10.2423 10.2845 10.7518 10.7536 11.1892 11.2007 k = 0.4722 0.3380 0.6634 ( 6968 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7480 -14.7479 -14.7459 -14.7458 -6.9271 -6.9270 -6.5831 -6.5793 -6.5375 -6.5339 -6.5304 -6.5289 -0.9399 -0.9383 1.2125 1.2156 1.5644 1.5796 1.9158 1.9216 2.4899 2.5140 2.9264 2.9781 3.1965 3.2393 3.2417 3.2668 3.2977 3.3221 3.3501 3.3934 3.4998 3.5225 3.5917 3.6101 4.5026 4.5616 4.5774 4.6689 4.7498 4.7763 4.7944 4.8370 4.8633 4.8811 5.1481 5.2316 5.2881 5.2948 5.5634 5.5968 5.6957 5.6995 6.1497 6.1518 6.5145 6.5383 6.8931 6.9090 6.9424 6.9495 7.2591 7.2598 7.2667 7.2833 7.8061 7.8077 9.4474 9.4631 10.2731 10.3202 10.7377 10.7415 11.1457 11.1595 k = 0.4861 0.3480 0.6512 ( 6972 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7928 -14.7480 -14.7479 -14.7459 -14.7458 -6.9274 -6.9274 -6.5874 -6.5831 -6.5385 -6.5342 -6.5277 -6.5261 -0.9334 -0.9319 1.2248 1.2279 1.5768 1.5932 1.9210 1.9269 2.4864 2.5123 2.9250 2.9793 3.1944 3.2382 3.2401 3.2686 3.2920 3.3198 3.3390 3.3806 3.4969 3.5224 3.5917 3.6079 4.5002 4.5602 4.5761 4.6710 4.7444 4.7730 4.7909 4.8318 4.8631 4.8798 5.1546 5.2415 5.2841 5.2913 5.5510 5.5868 5.6846 5.6869 6.1420 6.1439 6.5214 6.5449 6.8807 6.8963 6.9475 6.9516 7.2455 7.2484 7.2631 7.2770 7.8215 7.8262 9.4579 9.4751 10.3000 10.3527 10.7180 10.7246 11.0990 11.1157 k = 0.5000 0.3579 0.6390 ( 6974 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7927 -14.7480 -14.7479 -14.7459 -14.7458 -6.9284 -6.9283 -6.5926 -6.5881 -6.5381 -6.5338 -6.5242 -6.5227 -0.9269 -0.9254 1.2395 1.2426 1.5894 1.6069 1.9192 1.9253 2.4897 2.5172 2.9253 2.9824 3.1900 3.2366 3.2382 3.2688 3.2860 3.3173 3.3289 3.3677 3.4934 3.5216 3.5915 3.6049 4.4985 4.5589 4.5747 4.6731 4.7394 4.7692 4.7878 4.8260 4.8632 4.8788 5.1610 5.2509 5.2809 5.2882 5.5387 5.5773 5.6731 5.6741 6.1341 6.1358 6.5262 6.5496 6.8670 6.8821 6.9517 6.9521 7.2291 7.2355 7.2617 7.2736 7.8405 7.8473 9.4736 9.4915 10.3217 10.3806 10.6930 10.7035 11.0503 11.0708 k = 0.5000 0.3579 0.6390 ( 6974 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7927 -14.7480 -14.7479 -14.7459 -14.7458 -6.9284 -6.9283 -6.5926 -6.5881 -6.5381 -6.5338 -6.5242 -6.5227 -0.9269 -0.9254 1.2395 1.2426 1.5894 1.6069 1.9192 1.9253 2.4897 2.5172 2.9253 2.9824 3.1900 3.2366 3.2382 3.2688 3.2860 3.3173 3.3289 3.3677 3.4934 3.5216 3.5915 3.6049 4.4985 4.5589 4.5747 4.6731 4.7394 4.7692 4.7878 4.8260 4.8632 4.8788 5.1610 5.2509 5.2809 5.2882 5.5387 5.5773 5.6731 5.6741 6.1341 6.1358 6.5262 6.5496 6.8670 6.8821 6.9517 6.9521 7.2291 7.2355 7.2617 7.2736 7.8405 7.8473 9.4736 9.4915 10.3217 10.3806 10.6930 10.7035 11.0503 11.0708 k = 0.5000 0.3579 0.6169 ( 6974 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7927 -14.7480 -14.7479 -14.7459 -14.7458 -6.9311 -6.9310 -6.6029 -6.5983 -6.5360 -6.5316 -6.5173 -6.5159 -0.9152 -0.9138 1.2691 1.2724 1.6136 1.6330 1.9092 1.9159 2.5018 2.5321 2.9272 2.9895 3.1792 3.2333 3.2342 3.2667 3.2743 3.3109 3.3132 3.3463 3.4863 3.5188 3.5915 3.5993 4.4966 4.5566 4.5719 4.6769 4.7304 4.7618 4.7823 4.8150 4.8634 4.8770 5.1728 5.2665 5.2756 5.2837 5.5159 5.5601 5.6516 5.6531 6.1201 6.1215 6.5303 6.5540 6.8410 6.8555 6.9509 6.9583 7.1995 7.2116 7.2602 7.2704 7.8786 7.8887 9.5063 9.5248 10.3480 10.4199 10.6417 10.6603 10.9637 10.9926 k = 0.5000 0.3579 0.5949 ( 6950 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7901 -14.7928 -14.7927 -14.7480 -14.7479 -14.7459 -14.7458 -6.9346 -6.9344 -6.6138 -6.6091 -6.5331 -6.5287 -6.5099 -6.5085 -0.9037 -0.9024 1.3011 1.3045 1.6396 1.6612 1.8981 1.9053 2.5148 2.5478 2.9295 2.9964 3.1659 3.2290 3.2296 3.2616 3.2631 3.2996 3.3005 3.3316 3.4788 3.5146 3.5923 3.5949 4.4960 4.5539 4.5689 4.6810 4.7210 4.7540 4.7764 4.8038 4.8631 4.8751 5.1857 5.2707 5.2719 5.2897 5.4912 5.5414 5.6312 5.6350 6.1071 6.1083 6.5302 6.5541 6.8147 6.8288 6.9476 6.9635 7.1719 7.1895 7.2581 7.2674 7.9201 7.9334 9.5385 9.5572 10.3572 10.4422 10.5903 10.6154 10.8819 10.9217 k = 0.5000 0.3579 0.5729 ( 6956 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7927 -14.7927 -14.7480 -14.7479 -14.7459 -14.7458 -6.9389 -6.9387 -6.6252 -6.6204 -6.5293 -6.5248 -6.5020 -6.5005 -0.8925 -0.8915 1.3355 1.3389 1.6675 1.6912 1.8860 1.8935 2.5286 2.5642 2.9320 3.0029 3.1498 3.2227 3.2255 3.2493 3.2538 3.2866 3.2904 3.3252 3.4714 3.5089 3.5917 3.5937 4.4966 4.5508 4.5657 4.6851 4.7112 4.7459 4.7702 4.7923 4.8623 4.8728 5.1990 5.2664 5.2665 5.3065 5.4646 5.5213 5.6128 5.6188 6.0954 6.0963 6.5263 6.5501 6.7883 6.8021 6.9418 6.9661 7.1474 7.1704 7.2553 7.2638 7.9643 7.9808 9.5687 9.5875 10.3470 10.4353 10.5484 10.5688 10.8081 10.8608 k = 0.5000 0.3579 0.5508 ( 6956 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7927 -14.7927 -14.7480 -14.7480 -14.7459 -14.7458 -6.9440 -6.9438 -6.6369 -6.6322 -6.5246 -6.5200 -6.4936 -6.4922 -0.8821 -0.8813 1.3720 1.3754 1.6968 1.7228 1.8730 1.8805 2.5430 2.5812 2.9347 3.0089 3.1309 3.2161 3.2199 3.2290 3.2468 3.2785 3.2824 3.3228 3.4646 3.5020 3.5899 3.5956 4.4983 4.5474 4.5622 4.6893 4.7012 4.7376 4.7640 4.7807 4.8610 4.8702 5.2117 5.2595 5.2640 5.3247 5.4367 5.5003 5.5967 5.6047 6.0850 6.0856 6.5191 6.5423 6.7622 6.7756 6.9335 6.9652 7.1269 7.1545 7.2518 7.2596 8.0106 8.0301 9.5954 9.6138 10.3184 10.3925 10.5195 10.5206 10.7458 10.8108 k = 0.5000 0.3579 0.5288 ( 6952 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7927 -14.7926 -14.7480 -14.7480 -14.7459 -14.7458 -6.9500 -6.9498 -6.6489 -6.6442 -6.5189 -6.5143 -6.4849 -6.4834 -0.8725 -0.8721 1.4107 1.4140 1.7271 1.7558 1.8592 1.8664 2.5580 2.5987 2.9375 3.0137 3.1106 3.1991 3.2099 3.2189 3.2415 3.2735 3.2762 3.3223 3.4591 3.4946 3.5894 3.5977 4.5009 4.5435 4.5586 4.6909 4.6934 4.7290 4.7580 4.7692 4.8592 4.8672 5.2214 5.2522 5.2658 5.3434 5.4077 5.4787 5.5828 5.5927 6.0760 6.0763 6.5087 6.5311 6.7363 6.7493 6.9234 6.9601 7.1114 7.1419 7.2475 7.2547 8.0583 8.0806 9.6169 9.6341 10.2754 10.3286 10.4684 10.4914 10.6978 10.7696 k = 0.5000 0.3579 0.5068 ( 6954 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7927 -14.7926 -14.7480 -14.7480 -14.7459 -14.7458 -6.9569 -6.9566 -6.6612 -6.6565 -6.5122 -6.5075 -6.4758 -6.4743 -0.8642 -0.8641 1.4514 1.4545 1.7573 1.7895 1.8456 1.8514 2.5735 2.6164 2.9404 3.0162 3.0909 3.1710 3.2045 3.2143 3.2371 3.2691 3.2718 3.3229 3.4552 3.4870 3.5898 3.6000 4.5042 4.5392 4.5550 4.6805 4.6973 4.7203 4.7524 4.7578 4.8570 4.8639 5.2255 5.2445 5.2742 5.3619 5.3779 5.4569 5.5712 5.5829 6.0684 6.0684 6.4956 6.5165 6.7108 6.7234 6.9123 6.9509 7.1008 7.1318 7.2426 7.2491 8.1065 8.1312 9.6313 9.6464 10.2218 10.2560 10.4184 10.4529 10.6625 10.7334 k = 0.5000 0.3579 0.4847 ( 6954 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7927 -14.7926 -14.7481 -14.7480 -14.7459 -14.7458 -6.9645 -6.9641 -6.6735 -6.6689 -6.5046 -6.4998 -6.4665 -6.4650 -0.8574 -0.8571 1.4941 1.4969 1.7834 1.8208 1.8358 1.8384 2.5893 2.6342 2.9433 3.0142 3.0750 3.1425 3.1997 3.2102 3.2332 3.2645 3.2690 3.3246 3.4532 3.4800 3.5909 3.6025 4.5076 4.5343 4.5517 4.6698 4.7004 4.7116 4.7467 4.7475 4.8545 4.8603 5.2251 5.2366 5.2881 5.3478 5.3797 5.4358 5.5623 5.5756 6.0618 6.0619 6.4799 6.4988 6.6858 6.6979 6.9011 6.9390 7.0944 7.1239 7.2369 7.2426 8.1544 8.1813 9.6371 9.6487 10.1600 10.1794 10.3731 10.4080 10.6359 10.6996 k = 0.5000 0.3579 0.4627 ( 6960 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7926 -14.7481 -14.7480 -14.7459 -14.7457 -6.9728 -6.9724 -6.6859 -6.6814 -6.4961 -6.4913 -6.4570 -6.4554 -0.8523 -0.8516 1.5387 1.5411 1.7910 1.8148 1.8442 1.8619 2.6052 2.6519 2.9461 3.0054 3.0659 3.1146 3.1953 3.2064 3.2299 3.2594 3.2677 3.3272 3.4534 3.4741 3.5926 3.6050 4.5105 4.5288 4.5496 4.6589 4.7011 4.7048 4.7360 4.7436 4.8515 4.8564 5.2226 5.2286 5.3042 5.3180 5.3936 5.4180 5.5561 5.5713 6.0563 6.0566 6.4618 6.4782 6.6612 6.6728 6.8907 6.9257 7.0908 7.1175 7.2305 7.2355 8.2014 8.2300 9.6331 9.6402 10.0923 10.1010 10.3337 10.3599 10.6152 10.6678 k = 0.5000 0.3579 0.4407 ( 6968 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7457 -6.9816 -6.9812 -6.6983 -6.6938 -6.4867 -6.4819 -6.4473 -6.4457 -0.8487 -0.8477 1.5849 1.5869 1.7793 1.7968 1.8711 1.8964 2.6212 2.6692 2.9485 2.9907 3.0629 3.0879 3.1911 3.2028 3.2275 3.2537 3.2677 3.3308 3.4557 3.4698 3.5948 3.6075 4.5117 4.5227 4.5493 4.6478 4.6937 4.7047 4.7258 4.7410 4.8482 4.8524 5.2196 5.2204 5.2867 5.3228 5.3873 5.4195 5.5532 5.5708 6.0518 6.0523 6.4413 6.4550 6.6372 6.6483 6.8818 6.9127 7.0890 7.1122 7.2234 7.2276 8.2466 8.2766 9.6194 9.6211 10.0206 10.0219 10.2978 10.3094 10.6004 10.6399 k = 0.5000 0.3579 0.4186 ( 6956 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7457 -6.9910 -6.9905 -6.7105 -6.7062 -6.4767 -6.4719 -6.4375 -6.4359 -0.8468 -0.8453 1.6324 1.6342 1.7623 1.7775 1.9025 1.9308 2.6370 2.6860 2.9505 2.9737 3.0627 3.0629 3.1871 3.1997 3.2262 3.2479 3.2690 3.3354 3.4600 3.4675 3.5974 3.6102 4.5108 4.5160 4.5515 4.6364 4.6855 4.7042 4.7162 4.7399 4.8448 4.8482 5.2120 5.2169 5.2570 5.3398 5.3695 5.4308 5.5541 5.5749 6.0483 6.0489 6.4185 6.4294 6.6139 6.6244 6.8748 6.9011 7.0882 7.1076 7.2157 7.2190 8.2894 8.3206 9.5929 9.5968 9.9433 9.9468 10.2554 10.2610 10.5925 10.6187 k = 0.5000 0.3579 0.3966 ( 6964 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7457 -7.0007 -7.0002 -6.7226 -6.7184 -6.4661 -6.4613 -6.4277 -6.4261 -0.8465 -0.8447 1.6802 1.6824 1.7447 1.7577 1.9345 1.9643 2.6526 2.7020 2.9517 2.9571 3.0397 3.0628 3.1837 3.1970 3.2260 3.2422 3.2712 3.3408 3.4660 3.4672 3.6002 3.6129 4.5079 4.5085 4.5556 4.6249 4.6775 4.7024 4.7072 4.7401 4.8412 4.8440 5.2030 5.2147 5.2276 5.3517 5.3554 5.4400 5.5595 5.5845 6.0455 6.0462 6.3936 6.4017 6.5912 6.6011 6.8702 6.8915 7.0878 7.1036 7.2073 7.2098 8.3295 8.3613 9.5579 9.5672 9.8659 9.8726 10.1968 10.2186 10.5917 10.6068 k = 0.5000 0.3579 0.3746 ( 6948 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7926 -14.7925 -14.7481 -14.7480 -14.7459 -14.7457 -7.0107 -7.0102 -6.7344 -6.7303 -6.4550 -6.4503 -6.4180 -6.4164 -0.8478 -0.8457 1.7121 1.7259 1.7432 1.7433 1.9659 1.9965 2.6679 2.7171 2.9420 2.9518 3.0188 3.0617 3.1811 3.1949 3.2271 3.2372 3.2743 3.3470 3.4692 3.4737 3.6033 3.6157 4.5003 4.5039 4.5606 4.6137 4.6698 4.6989 4.6999 4.7412 4.8376 4.8397 5.1933 5.1987 5.2135 5.3354 5.3687 5.4458 5.5701 5.5997 6.0433 6.0442 6.3668 6.3724 6.5692 6.5785 6.8680 6.8845 7.0876 7.1000 7.1984 7.2000 8.3662 8.3984 9.5182 9.5324 9.7903 9.7993 10.1331 10.1679 10.5970 10.6046 k = 0.5000 0.3579 0.3525 ( 6944 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7925 -14.7924 -14.7481 -14.7480 -14.7459 -14.7457 -7.0208 -7.0202 -6.7458 -6.7420 -6.4435 -6.4389 -6.4083 -6.4067 -0.8506 -0.8482 1.6981 1.7135 1.7851 1.7881 1.9962 2.0267 2.6826 2.7311 2.9290 2.9508 3.0003 3.0586 3.1801 3.1934 3.2296 3.2333 3.2781 3.3538 3.4734 3.4825 3.6068 3.6187 4.4913 4.4994 4.5647 4.6039 4.6625 4.6912 4.6971 4.7425 4.8341 4.8353 5.1704 5.1824 5.2131 5.3211 5.3792 5.4485 5.5862 5.6199 6.0416 6.0427 6.3382 6.3417 6.5480 6.5567 6.8684 6.8803 7.0873 7.0967 7.1889 7.1896 8.3993 8.4316 9.4759 9.4944 9.7173 9.7277 10.0647 10.1090 10.6065 10.6103 k = 0.5000 0.3579 0.3305 ( 6944 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7925 -14.7924 -14.7481 -14.7481 -14.7459 -14.7457 -7.0309 -7.0303 -6.7569 -6.7532 -6.4319 -6.4274 -6.3988 -6.3972 -0.8548 -0.8522 1.6781 1.6925 1.8359 1.8394 2.0249 2.0546 2.6966 2.7440 2.9184 2.9482 2.9842 3.0530 3.1808 3.1927 3.2308 3.2334 3.2826 3.3611 3.4796 3.4923 3.6106 3.6220 4.4816 4.4947 4.5648 4.5982 4.6555 4.6843 4.6944 4.7438 4.8308 4.8310 5.1426 5.1700 5.2137 5.3093 5.3869 5.4487 5.6075 5.6442 6.0403 6.0417 6.3083 6.3102 6.5277 6.5357 6.8713 6.8790 7.0869 7.0936 7.1788 7.1790 8.4287 8.4607 9.4325 9.4548 9.6473 9.6587 9.9924 10.0431 10.6183 10.6211 k = 0.5000 0.3579 0.3085 ( 6946 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7925 -14.7924 -14.7481 -14.7481 -14.7459 -14.7457 -7.0409 -7.0403 -6.7675 -6.7641 -6.4202 -6.4158 -6.3896 -6.3880 -0.8602 -0.8574 1.6575 1.6712 1.8875 1.8915 2.0519 2.0800 2.7100 2.7556 2.9104 2.9443 2.9706 3.0447 3.1834 3.1928 3.2298 3.2384 3.2876 3.3686 3.4877 3.5027 3.6147 3.6257 4.4710 4.4898 4.5589 4.5986 4.6489 4.6781 4.6922 4.7448 4.8266 4.8279 5.1155 5.1559 5.2153 5.3001 5.3921 5.4474 5.6335 5.6714 6.0393 6.0410 6.2774 6.2782 6.5082 6.5155 6.8767 6.8805 7.0863 7.0906 7.1676 7.1687 8.4544 8.4857 9.3891 9.4148 9.5807 9.5929 9.9173 9.9722 10.6304 10.6343 k = 0.5000 0.3579 0.2864 ( 6946 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7925 -14.7924 -14.7481 -14.7481 -14.7459 -14.7458 -7.0506 -7.0501 -6.7776 -6.7744 -6.4086 -6.4044 -6.3806 -6.3791 -0.8666 -0.8637 1.6371 1.6500 1.9393 1.9434 2.0771 2.1024 2.7225 2.7661 2.9049 2.9388 2.9593 3.0341 3.1877 3.1938 3.2304 3.2444 3.2931 3.3761 3.4972 3.5136 3.6193 3.6299 4.4600 4.4847 4.5495 4.6027 4.6425 4.6727 4.6908 4.7454 4.8222 4.8255 5.0890 5.1399 5.2180 5.2935 5.3954 5.4451 5.6632 5.7007 6.0385 6.0406 6.2458 6.2462 6.4897 6.4964 6.8843 6.8847 7.0855 7.0876 7.1562 7.1583 8.4764 8.5068 9.3465 9.3752 9.5180 9.5306 9.8404 9.8979 10.6410 10.6474 k = 0.5000 0.3579 0.2644 ( 6960 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7925 -14.7924 -14.7481 -14.7481 -14.7459 -14.7458 -7.0600 -7.0595 -6.7872 -6.7842 -6.3972 -6.3932 -6.3720 -6.3705 -0.8739 -0.8708 1.6170 1.6292 1.9907 1.9942 2.1008 2.1219 2.7340 2.7755 2.9016 2.9316 2.9505 3.0215 3.1932 3.1958 3.2325 3.2511 3.2990 3.3835 3.5080 3.5245 3.6243 3.6346 4.4483 4.4787 4.5400 4.6077 4.6365 4.6684 4.6903 4.7454 4.8177 4.8236 5.0633 5.1223 5.2215 5.2892 5.3974 5.4421 5.6956 5.7315 6.0377 6.0404 6.2140 6.2147 6.4723 6.4784 6.8915 6.8941 7.0842 7.0847 7.1446 7.1478 8.4949 8.5242 9.3051 9.3365 9.4595 9.4723 9.7629 9.8219 10.6490 10.6587 k = 0.5000 0.3579 0.2424 ( 6958 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7924 -14.7924 -14.7481 -14.7481 -14.7459 -14.7458 -7.0691 -7.0685 -6.7962 -6.7934 -6.3862 -6.3823 -6.3638 -6.3623 -0.8817 -0.8786 1.5976 1.6090 2.0415 2.0420 2.1244 2.1385 2.7447 2.7840 2.9001 2.9227 2.9443 3.0074 3.1987 3.1997 3.2358 3.2581 3.3055 3.3904 3.5196 3.5353 3.6298 3.6401 4.4362 4.4711 4.5324 4.6120 4.6309 4.6657 4.6906 4.7451 4.8131 4.8224 5.0384 5.1031 5.2259 5.2868 5.3987 5.4389 5.7301 5.7632 6.0370 6.0403 6.1825 6.1843 6.4559 6.4614 6.9006 6.9059 7.0819 7.0827 7.1331 7.1375 8.5103 8.5381 9.2653 9.2990 9.4055 9.4182 9.6857 9.7454 10.6530 10.6666 k = 0.5000 0.3579 0.2203 ( 6956 PWs) bands (ev): -15.7921 -15.7920 -15.7901 -15.7900 -14.7924 -14.7923 -14.7482 -14.7481 -14.7459 -14.7458 -7.0776 -7.0771 -6.8045 -6.8020 -6.3756 -6.3720 -6.3561 -6.3547 -0.8898 -0.8867 1.5792 1.5897 2.0837 2.0912 2.1507 2.1523 2.7543 2.7915 2.9001 2.9120 2.9406 2.9923 3.2025 3.2069 3.2401 3.2647 3.3127 3.3966 3.5317 3.5457 3.6358 3.6462 4.4239 4.4612 4.5281 4.6149 4.6256 4.6650 4.6918 4.7442 4.8086 4.8220 5.0144 5.0828 5.2310 5.2859 5.3994 5.4354 5.7657 5.7949 6.0360 6.0404 6.1517 6.1556 6.4408 6.4457 6.9117 6.9193 7.0790 7.0806 7.1219 7.1276 8.5228 8.5489 9.2274 9.2629 9.3563 9.3686 9.6102 9.6698 10.6522 10.6697 k = 0.5000 0.3579 0.1983 ( 6948 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7924 -14.7923 -14.7482 -14.7481 -14.7459 -14.7458 -7.0855 -7.0850 -6.8122 -6.8099 -6.3657 -6.3622 -6.3489 -6.3475 -0.8980 -0.8950 1.5619 1.5715 2.1146 2.1387 2.1643 2.1838 2.7629 2.7981 2.9002 2.9008 2.9388 2.9768 3.2071 3.2144 3.2450 3.2705 3.3207 3.4020 3.5439 3.5556 3.6424 3.6531 4.4115 4.4491 4.5274 4.6158 4.6207 4.6664 4.6935 4.7430 4.8041 4.8224 4.9917 5.0615 5.2366 5.2861 5.3999 5.4319 5.8015 5.8260 6.0348 6.0406 6.1221 6.1292 6.4269 6.4312 6.9243 6.9340 7.0760 7.0780 7.1109 7.1184 8.5329 8.5570 9.1915 9.2282 9.3122 9.3236 9.5374 9.5964 10.6461 10.6669 k = 0.5000 0.3579 0.1763 ( 6946 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7924 -14.7923 -14.7482 -14.7481 -14.7459 -14.7458 -7.0928 -7.0923 -6.8191 -6.8171 -6.3564 -6.3532 -6.3423 -6.3410 -0.9060 -0.9032 1.5459 1.5546 2.1349 2.1687 2.1895 2.2233 2.7705 2.8038 2.8878 2.9014 2.9385 2.9618 3.2123 3.2221 3.2501 3.2751 3.3294 3.4064 3.5557 3.5648 3.6495 3.6605 4.3994 4.4355 4.5301 4.6149 4.6161 4.6698 4.6952 4.7413 4.8003 4.8235 4.9703 5.0395 5.2426 5.2870 5.4003 5.4284 5.8366 5.8556 6.0327 6.0410 6.0942 6.1060 6.4143 6.4180 6.9382 6.9497 7.0729 7.0747 7.1006 7.1100 8.5408 8.5628 9.1579 9.1951 9.2732 9.2833 9.4686 9.5262 10.6342 10.6574 k = 0.5000 0.3579 0.1542 ( 6954 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7924 -14.7923 -14.7482 -14.7481 -14.7459 -14.7458 -7.0993 -7.0989 -6.8253 -6.8235 -6.3480 -6.3451 -6.3363 -6.3351 -0.9137 -0.9111 1.5314 1.5391 2.1487 2.1765 2.2325 2.2644 2.7770 2.8086 2.8751 2.8999 2.9392 2.9488 3.2180 3.2297 3.2552 3.2781 3.3387 3.4096 3.5668 3.5732 3.6570 3.6682 4.3879 4.4212 4.5355 4.6119 4.6129 4.6744 4.6958 4.7395 4.7975 4.8255 4.9506 5.0170 5.2489 5.2882 5.4006 5.4249 5.8703 5.8828 6.0295 6.0415 6.0683 6.0873 6.4031 6.4063 6.9528 6.9658 7.0696 7.0706 7.0911 7.1027 8.5470 8.5666 9.1269 9.1636 9.2393 9.2478 9.4051 9.4606 10.6170 10.6410 k = 0.5000 0.3579 0.1322 ( 6958 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7924 -14.7923 -14.7482 -14.7481 -14.7459 -14.7458 -7.1051 -7.1048 -6.8307 -6.8292 -6.3405 -6.3379 -6.3309 -6.3298 -0.9208 -0.9185 1.5186 1.5253 2.1588 2.1814 2.2739 2.3042 2.7825 2.8125 2.8628 2.8939 2.9405 2.9406 3.2242 3.2370 3.2600 3.2797 3.3483 3.4116 3.5769 3.5808 3.6649 3.6759 4.3772 4.4069 4.5434 4.6082 4.6103 4.6799 4.6941 4.7374 4.7970 4.8283 4.9326 4.9943 5.2552 5.2895 5.4010 5.4216 5.9013 5.9064 6.0246 6.0409 6.0466 6.0743 6.3933 6.3960 6.9675 6.9819 7.0660 7.0661 7.0825 7.0966 8.5518 8.5689 9.0989 9.1340 9.2105 9.2171 9.3483 9.4005 10.5957 10.6186 k = 0.5000 0.3579 0.1102 ( 6950 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7481 -14.7459 -14.7458 -7.1101 -7.1098 -6.8353 -6.8340 -6.3340 -6.3318 -6.3262 -6.3252 -0.9271 -0.9251 1.5076 1.5132 2.1665 2.1846 2.3121 2.3405 2.7870 2.8156 2.8515 2.8824 2.9377 2.9423 3.2306 3.2439 3.2642 3.2799 3.3580 3.4123 3.5855 3.5874 3.6727 3.6831 4.3677 4.3933 4.5534 4.6052 4.6075 4.6858 4.6893 4.7351 4.7998 4.8318 4.9165 4.9714 5.2614 5.2905 5.4015 5.4185 5.9253 5.9285 6.0185 6.0241 6.0448 6.0672 6.3851 6.3872 6.9820 6.9974 7.0611 7.0624 7.0752 7.0914 8.5554 8.5699 9.0743 9.1067 9.1866 9.1913 9.2993 9.3469 10.5720 10.5924 k = 0.5000 0.3579 0.0881 ( 6938 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7459 -14.7458 -7.1142 -7.1139 -6.8390 -6.8380 -6.3287 -6.3268 -6.3222 -6.3214 -0.9324 -0.9308 1.4985 1.5031 2.1725 2.1866 2.3463 2.3720 2.7907 2.8178 2.8418 2.8676 2.9384 2.9439 3.2371 3.2501 3.2675 3.2789 3.3673 3.4118 3.5926 3.5932 3.6803 3.6894 4.3598 4.3808 4.5653 4.6027 4.6050 4.6809 4.6918 4.7321 4.8064 4.8361 4.9023 4.9488 5.2674 5.2911 5.4022 5.4156 5.9383 5.9500 6.0083 6.0133 6.0472 6.0646 6.3783 6.3800 6.9957 7.0116 7.0565 7.0584 7.0693 7.0868 8.5582 8.5699 9.0539 9.0821 9.1675 9.1703 9.2592 9.3007 10.5486 10.5655 k = 0.5000 0.3579 0.0661 ( 6936 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7458 -14.7458 -7.1174 -7.1172 -6.8420 -6.8412 -6.3244 -6.3231 -6.3189 -6.3183 -0.9367 -0.9354 1.4915 1.4949 2.1771 2.1874 2.3757 2.3973 2.7938 2.8193 2.8344 2.8520 2.9404 2.9453 3.2436 3.2554 3.2698 3.2769 3.3761 3.4100 3.5978 3.5980 3.6871 3.6945 4.3539 4.3699 4.5786 4.6008 4.6027 4.6695 4.6977 4.7285 4.8168 4.8412 4.8899 4.9265 5.2729 5.2910 5.4030 5.4130 5.9456 5.9625 5.9993 6.0104 6.0508 6.0646 6.3730 6.3743 7.0081 7.0238 7.0524 7.0542 7.0652 7.0825 8.5603 8.5691 9.0381 9.0607 9.1531 9.1543 9.2288 9.2624 10.5279 10.5407 k = 0.5000 0.3579 0.0441 ( 6922 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7458 -14.7458 -7.1197 -7.1196 -6.8440 -6.8435 -6.3214 -6.3205 -6.3164 -6.3161 -0.9398 -0.9389 1.4866 1.4889 2.1807 2.1875 2.3993 2.4151 2.7973 2.8198 2.8294 2.8375 2.9426 2.9461 3.2498 3.2595 3.2710 3.2743 3.3842 3.4070 3.6013 3.6018 3.6928 3.6980 4.3502 4.3609 4.5932 4.5995 4.6010 4.6559 4.7036 4.7243 4.8303 4.8470 4.8791 4.9049 5.2779 5.2901 5.4041 5.4107 5.9491 5.9634 5.9997 6.0092 6.0554 6.0653 6.3693 6.3701 7.0190 7.0330 7.0491 7.0499 7.0635 7.0782 8.5621 8.5680 9.0275 9.0434 9.1430 9.1431 9.2088 9.2326 10.5121 10.5206 k = 0.5000 0.3579 0.0220 ( 6926 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7458 -14.7458 -7.1211 -7.1210 -6.8452 -6.8449 -6.3195 -6.3191 -6.3149 -6.3147 -0.9415 -0.9411 1.4838 1.4850 2.1834 2.1868 2.4159 2.4243 2.8023 2.8173 2.8266 2.8275 2.9445 2.9463 3.2553 3.2613 3.2713 3.2719 3.3914 3.4029 3.6036 3.6039 3.6969 3.6996 4.3489 4.3543 4.5989 4.5995 4.6089 4.6407 4.7092 4.7196 4.8463 4.8536 4.8696 4.8841 5.2822 5.2883 5.4054 5.4087 5.9514 5.9587 6.0037 6.0085 6.0600 6.0653 6.3672 6.3676 7.0282 7.0376 7.0458 7.0466 7.0650 7.0735 8.5636 8.5666 9.0227 9.0309 9.1367 9.1370 9.1994 9.2118 10.5028 10.5071 k = 0.5000 0.3579 0.0000 ( 6944 PWs) bands (ev): -15.7920 -15.7920 -15.7900 -15.7900 -14.7923 -14.7923 -14.7482 -14.7482 -14.7458 -14.7458 -7.1215 -7.1215 -6.8455 -6.8455 -6.3188 -6.3188 -6.3143 -6.3143 -0.9420 -0.9420 1.4833 1.4833 2.1855 2.1855 2.4245 2.4245 2.8095 2.8095 2.8255 2.8255 2.9458 2.9458 3.2597 3.2597 3.2711 3.2711 3.3976 3.3976 3.6045 3.6045 3.6992 3.6992 4.3502 4.3502 4.5989 4.5989 4.6248 4.6248 4.7145 4.7145 4.8604 4.8604 4.8651 4.8651 5.2857 5.2857 5.4069 5.4069 5.9544 5.9544 6.0068 6.0068 6.0636 6.0636 6.3665 6.3665 7.0352 7.0352 7.0450 7.0450 7.0688 7.0688 8.5651 8.5651 9.0238 9.0238 9.1348 9.1348 9.2005 9.2005 10.5010 10.5010 k = 0.0000 0.0000 0.8590 ( 6940 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7929 -14.7929 -14.7479 -14.7479 -14.7458 -14.7458 -6.9234 -6.9234 -6.5606 -6.5606 -6.5372 -6.5372 -6.5331 -6.5331 -0.9987 -0.9987 1.0934 1.0934 1.4756 1.4756 1.9647 1.9647 2.4343 2.4343 2.9299 2.9299 3.2485 3.2485 3.2577 3.2577 3.3452 3.3452 3.4738 3.4738 3.5246 3.5246 3.6321 3.6321 4.5545 4.5545 4.6184 4.6184 4.7944 4.7944 4.8316 4.8316 4.8922 4.8922 5.1312 5.1312 5.3150 5.3150 5.6486 5.6486 5.8856 5.8856 6.2427 6.2427 6.3733 6.3733 6.9209 6.9209 7.0557 7.0557 7.2502 7.2502 7.4523 7.4523 7.6627 7.6627 9.2874 9.2874 9.9598 9.9598 10.9049 10.9049 11.2168 11.2168 k = 0.0179 0.0128 0.8590 ( 6956 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7929 -14.7929 -14.7479 -14.7479 -14.7458 -14.7458 -6.9234 -6.9234 -6.5606 -6.5606 -6.5372 -6.5372 -6.5331 -6.5331 -0.9986 -0.9986 1.0950 1.0950 1.4747 1.4747 1.9568 1.9568 2.4420 2.4420 2.9325 2.9325 3.2482 3.2482 3.2566 3.2566 3.3452 3.3452 3.4739 3.4739 3.5243 3.5243 3.6309 3.6309 4.5547 4.5547 4.6182 4.6182 4.7948 4.7948 4.8317 4.8317 4.8922 4.8922 5.1306 5.1306 5.3162 5.3162 5.6487 5.6487 5.8833 5.8833 6.2425 6.2425 6.3740 6.3740 6.9168 6.9168 7.0558 7.0558 7.2504 7.2504 7.4509 7.4509 7.6674 7.6674 9.2929 9.2929 9.9587 9.9587 10.9016 10.9016 11.2149 11.2149 k = 0.0357 0.0256 0.8590 ( 6956 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7929 -14.7929 -14.7479 -14.7479 -14.7458 -14.7458 -6.9234 -6.9234 -6.5603 -6.5603 -6.5372 -6.5372 -6.5333 -6.5333 -0.9983 -0.9983 1.0999 1.0999 1.4718 1.4718 1.9348 1.9348 2.4636 2.4636 2.9401 2.9401 3.2466 3.2466 3.2538 3.2538 3.3451 3.3451 3.4744 3.4744 3.5236 3.5236 3.6274 3.6274 4.5553 4.5553 4.6175 4.6175 4.7959 4.7959 4.8322 4.8322 4.8924 4.8924 5.1289 5.1289 5.3197 5.3197 5.6489 5.6489 5.8766 5.8766 6.2419 6.2419 6.3763 6.3763 6.9048 6.9048 7.0565 7.0565 7.2510 7.2510 7.4466 7.4466 7.6809 7.6809 9.3092 9.3092 9.9554 9.9554 10.8912 10.8912 11.2097 11.2097 k = 0.0536 0.0383 0.8590 ( 6978 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7458 -14.7458 -6.9233 -6.9233 -6.5599 -6.5599 -6.5374 -6.5374 -6.5336 -6.5336 -0.9978 -0.9978 1.1080 1.1080 1.4673 1.4673 1.9019 1.9019 2.4957 2.4957 2.9526 2.9526 3.2416 3.2416 3.2518 3.2518 3.3451 3.3451 3.4748 3.4748 3.5224 3.5224 3.6216 3.6216 4.5561 4.5561 4.6163 4.6163 4.7976 4.7976 4.8329 4.8329 4.8926 4.8926 5.1262 5.1262 5.3257 5.3257 5.6493 5.6493 5.8656 5.8656 6.2410 6.2410 6.3802 6.3802 6.8862 6.8862 7.0573 7.0573 7.2521 7.2521 7.4397 7.4397 7.7020 7.7020 9.3361 9.3361 9.9500 9.9500 10.8725 10.8725 11.2030 11.2030 k = 0.0714 0.0511 0.8590 ( 6976 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7458 -14.7458 -6.9233 -6.9233 -6.5594 -6.5594 -6.5376 -6.5376 -6.5340 -6.5340 -0.9972 -0.9972 1.1193 1.1193 1.4613 1.4613 1.8616 1.8616 2.5348 2.5348 2.9695 2.9695 3.2327 3.2327 3.2512 3.2512 3.3450 3.3450 3.4750 3.4750 3.5208 3.5208 3.6138 3.6138 4.5574 4.5574 4.6148 4.6148 4.7999 4.7999 4.8339 4.8339 4.8929 4.8929 5.1225 5.1225 5.3342 5.3342 5.6498 5.6498 5.8505 5.8505 6.2397 6.2397 6.3856 6.3856 6.8626 6.8626 7.0583 7.0583 7.2537 7.2537 7.4305 7.4305 7.7292 7.7292 9.3727 9.3727 9.9428 9.9428 10.8440 10.8440 11.1972 11.1972 k = 0.0893 0.0639 0.8590 ( 6986 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7458 -14.7458 -6.9233 -6.9233 -6.5588 -6.5588 -6.5378 -6.5378 -6.5345 -6.5345 -0.9964 -0.9964 1.1338 1.1338 1.4542 1.4542 1.8168 1.8168 2.5782 2.5782 2.9901 2.9901 3.2210 3.2210 3.2511 3.2511 3.3449 3.3449 3.4743 3.4743 3.5190 3.5190 3.6044 3.6044 4.5590 4.5590 4.6128 4.6128 4.8027 4.8027 4.8350 4.8350 4.8934 4.8934 5.1181 5.1181 5.3452 5.3452 5.6504 5.6504 5.8315 5.8315 6.2383 6.2383 6.3924 6.3924 6.8354 6.8354 7.0593 7.0593 7.2558 7.2558 7.4196 7.4196 7.7605 7.7605 9.4183 9.4183 9.9341 9.9341 10.8047 10.8047 11.1943 11.1943 k = 0.1071 0.0767 0.8590 ( 6986 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7458 -14.7458 -6.9232 -6.9232 -6.5580 -6.5580 -6.5382 -6.5382 -6.5349 -6.5349 -0.9956 -0.9956 1.1514 1.1514 1.4464 1.4464 1.7694 1.7694 2.6240 2.6240 3.0136 3.0136 3.2072 3.2072 3.2512 3.2512 3.3448 3.3448 3.4716 3.4716 3.5174 3.5174 3.5940 3.5940 4.5609 4.5609 4.6105 4.6105 4.8057 4.8057 4.8363 4.8363 4.8939 4.8939 5.1132 5.1132 5.3588 5.3588 5.6511 5.6511 5.8092 5.8092 6.2366 6.2366 6.4007 6.4007 6.8061 6.8061 7.0604 7.0604 7.2584 7.2584 7.4075 7.4075 7.7941 7.7941 9.4719 9.4719 9.9243 9.9243 10.7545 10.7545 11.1956 11.1956 k = 0.1250 0.0895 0.8590 ( 6980 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7458 -14.7458 -6.9232 -6.9232 -6.5571 -6.5571 -6.5388 -6.5388 -6.5353 -6.5353 -0.9947 -0.9947 1.1720 1.1720 1.4384 1.4384 1.7205 1.7205 2.6706 2.6706 3.0387 3.0387 3.1923 3.1923 3.2514 3.2514 3.3447 3.3447 3.4660 3.4660 3.5164 3.5164 3.5833 3.5833 4.5632 4.5632 4.6080 4.6080 4.8090 4.8090 4.8376 4.8376 4.8946 4.8946 5.1080 5.1080 5.3750 5.3750 5.6516 5.6516 5.7840 5.7840 6.2349 6.2349 6.4103 6.4103 6.7760 6.7760 7.0615 7.0615 7.2615 7.2615 7.3947 7.3947 7.8283 7.8283 9.5324 9.5324 9.9141 9.9141 10.6943 10.6943 11.2014 11.2014 k = 0.1429 0.1023 0.8590 ( 6972 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7458 -14.7458 -6.9231 -6.9231 -6.5560 -6.5560 -6.5396 -6.5396 -6.5357 -6.5357 -0.9938 -0.9938 1.1957 1.1957 1.4304 1.4304 1.6713 1.6713 2.7173 2.7173 3.0627 3.0627 3.1783 3.1783 3.2517 3.2517 3.3446 3.3446 3.4562 3.4562 3.5165 3.5165 3.5730 3.5730 4.5657 4.5657 4.6052 4.6052 4.8122 4.8122 4.8388 4.8388 4.8954 4.8954 5.1027 5.1027 5.3937 5.3937 5.6518 5.6518 5.7564 5.7564 6.2332 6.2332 6.4212 6.4212 6.7460 6.7460 7.0625 7.0625 7.2653 7.2653 7.3817 7.3817 7.8614 7.8614 9.5983 9.5983 9.9045 9.9045 10.6257 10.6257 11.2114 11.2114 k = 0.1607 0.1150 0.8590 ( 6972 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7458 -14.7458 -6.9231 -6.9231 -6.5549 -6.5549 -6.5405 -6.5405 -6.5359 -6.5359 -0.9929 -0.9929 1.2222 1.2222 1.4230 1.4230 1.6224 1.6224 2.7633 2.7633 3.0793 3.0793 3.1710 3.1710 3.2522 3.2522 3.3445 3.3445 3.4418 3.4418 3.5176 3.5176 3.5638 3.5638 4.5683 4.5683 4.6022 4.6022 4.8153 4.8153 4.8398 4.8398 4.8963 4.8963 5.0976 5.0976 5.4150 5.4150 5.6512 5.6512 5.7276 5.7276 6.2315 6.2315 6.4331 6.4331 6.7170 6.7170 7.0634 7.0634 7.2695 7.2695 7.3688 7.3688 7.8922 7.8922 9.6676 9.6676 9.8973 9.8973 10.5502 10.5502 11.2249 11.2249 k = 0.1786 0.1278 0.8590 ( 6976 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7458 -14.7458 -6.9231 -6.9231 -6.5538 -6.5538 -6.5415 -6.5415 -6.5361 -6.5361 -0.9921 -0.9921 1.2516 1.2516 1.4164 1.4164 1.5743 1.5743 2.8080 2.8080 3.0788 3.0788 3.1788 3.1788 3.2530 3.2530 3.3443 3.3443 3.4230 3.4230 3.5196 3.5196 3.5559 3.5559 4.5712 4.5712 4.5991 4.5991 4.8182 4.8182 4.8405 4.8405 4.8972 4.8972 5.0930 5.0930 5.4388 5.4388 5.6484 5.6484 5.6993 5.6993 6.2301 6.2301 6.4455 6.4455 6.6900 6.6900 7.0642 7.0642 7.2744 7.2744 7.3564 7.3564 7.9193 7.9193 9.7359 9.7359 9.8965 9.8965 10.4695 10.4695 11.2412 11.2412 k = 0.1964 0.1406 0.8590 ( 6992 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7458 -14.7458 -6.9230 -6.9230 -6.5526 -6.5526 -6.5426 -6.5426 -6.5363 -6.5363 -0.9915 -0.9915 1.2836 1.2836 1.4110 1.4110 1.5274 1.5274 2.8510 2.8510 3.0623 3.0623 3.1998 3.1998 3.2547 3.2547 3.3442 3.3442 3.4007 3.4007 3.5221 3.5221 3.5492 3.5492 4.5741 4.5741 4.5959 4.5959 4.8206 4.8206 4.8410 4.8410 4.8979 4.8979 5.0891 5.0891 5.4648 5.4648 5.6382 5.6382 5.6774 5.6774 6.2288 6.2288 6.4579 6.4579 6.6659 6.6659 7.0649 7.0649 7.2798 7.2798 7.3449 7.3449 7.9416 7.9416 9.7910 9.7910 9.9139 9.9139 10.3853 10.3853 11.2592 11.2592 k = 0.2143 0.1534 0.8590 ( 6976 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7458 -14.7458 -6.9230 -6.9230 -6.5514 -6.5514 -6.5437 -6.5437 -6.5364 -6.5364 -0.9910 -0.9910 1.3182 1.3182 1.4068 1.4068 1.4823 1.4823 2.8918 2.8918 3.0374 3.0374 3.2230 3.2230 3.2595 3.2595 3.3440 3.3440 3.3763 3.3763 3.5250 3.5250 3.5438 3.5438 4.5771 4.5771 4.5928 4.5928 4.8226 4.8226 4.8413 4.8413 4.8986 4.8986 5.0861 5.0861 5.4928 5.4928 5.6150 5.6150 5.6680 5.6680 6.2279 6.2279 6.4690 6.4690 6.6462 6.6462 7.0654 7.0654 7.2856 7.2856 7.3347 7.3347 7.9583 7.9583 9.8172 9.8172 9.9649 9.9649 10.2989 10.2989 11.2771 11.2771 k = 0.2321 0.1662 0.8590 ( 6980 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7458 -14.7458 -6.9230 -6.9230 -6.5504 -6.5504 -6.5447 -6.5447 -6.5364 -6.5364 -0.9907 -0.9907 1.3548 1.3548 1.4039 1.4039 1.4397 1.4397 2.9291 2.9291 3.0088 3.0088 3.2370 3.2370 3.2721 3.2721 3.3430 3.3430 3.3534 3.3534 3.5278 3.5278 3.5396 3.5396 4.5797 4.5797 4.5901 4.5901 4.8238 4.8238 4.8413 4.8413 4.8990 4.8990 5.0843 5.0843 5.5225 5.5225 5.5852 5.5852 5.6653 5.6653 6.2273 6.2273 6.4771 6.4771 6.6329 6.6329 7.0657 7.0657 7.2912 7.2912 7.3265 7.3265 7.9686 7.9686 9.8242 9.8242 10.0387 10.0387 10.2123 10.2123 11.2918 11.2918 k = 0.2500 0.1789 0.8590 ( 6980 PWs) bands (ev): -15.7921 -15.7921 -15.7901 -15.7901 -14.7928 -14.7928 -14.7479 -14.7479 -14.7458 -14.7458 -6.9230 -6.9230 -6.5498 -6.5498 -6.5453 -6.5453 -6.5365 -6.5365 -0.9906 -0.9906 1.3862 1.3862 1.3965 1.3965 1.4126 1.4126 2.9525 2.9525 2.9883 2.9883 3.2402 3.2402 3.2822 3.2822 3.3378 3.3378 3.3462 3.3462 3.5290 3.5290 3.5380 3.5380 4.5810 4.5810 4.5888 4.5888 4.8243 4.8243 4.8413 4.8413 4.8992 4.8992 5.0837 5.0837 5.5513 5.5513 5.5560 5.5560 5.6647 5.6647 6.2270 6.2270 6.4799 6.4799 6.6284 6.6284 7.0658 7.0658 7.2947 7.2947 7.3221 7.3221 7.9720 7.9720 9.8254 9.8254 10.1070 10.1070 10.1408 10.1408 11.2978 11.2978 Writing output data file FeCu2SnSe4.save init_run : 1.58s CPU 0.93s WALL ( 1 calls) electrons : 492.78s CPU 365.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.14s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 492.78s CPU 365.71s WALL ( 1 calls) v_of_rho : 0.02s 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 : 0.39s CPU 0.22s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.46s CPU 0.60s WALL ( 270 calls) cegterg : 407.84s CPU 318.14s WALL ( 348 calls) Called by sum_band: Called by *egterg: h_psi : 329.60s CPU 212.57s WALL ( 5663 calls) s_psi : 20.88s CPU 17.21s WALL ( 5663 calls) g_psi : 0.55s CPU 0.45s WALL ( 5045 calls) cdiaghg : 89.63s CPU 87.82s WALL ( 5315 calls) cegterg:over : 14.60s CPU 14.59s WALL ( 5045 calls) cegterg:upda : 12.74s CPU 12.46s WALL ( 5045 calls) cegterg:last : 6.30s CPU 6.46s WALL ( 888 calls) cdiaghg:chol : 5.23s CPU 5.16s WALL ( 5315 calls) cdiaghg:inve : 3.77s CPU 3.72s WALL ( 5315 calls) cdiaghg:para : 6.15s CPU 6.34s WALL ( 10630 calls) Called by h_psi: h_psi:vloc : 298.58s CPU 187.64s WALL ( 5663 calls) h_psi:vnl : 30.35s CPU 24.41s WALL ( 5663 calls) add_vuspsi : 16.61s CPU 13.08s WALL ( 5663 calls) General routines calbec : 13.70s CPU 11.31s WALL ( 5663 calls) fft : 0.07s CPU 0.04s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 284.46s CPU 176.51s WALL ( 950280 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.56s CPU 1.89s WALL ( 540 calls) Parallel routines fft_scatter : 93.40s CPU 71.97s WALL ( 950303 calls) PWSCF : 8m42.96s CPU 6m53.35s WALL This run was terminated on: 15:54:44 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=