Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:42:18 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors 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: ./Ca2ZnN2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) 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 81 46 14 1479 631 105 Max 82 47 15 1481 650 106 Sum 2931 1679 511 53269 23159 3809 bravais-lattice index = 14 lattice parameter (alat) = 12.8833 a.u. unit-cell volume = 548.4748 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.883286 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.861857 celldm(5)= -0.861857 celldm(6)= 0.723714 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.723714 0.690100 0.000000 ) a(3) = ( -0.861857 -0.345050 0.371676 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.048708 1.345257 ) b(2) = ( 0.000000 1.449065 1.345257 ) b(3) = ( 0.000000 0.000000 2.690515 ) PseudoPot. # 1 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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 Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 atomic species valence mass pseudopotential Ca 10.00 40.07800 Ca( 1.00) Zn 12.00 65.40900 Zn( 1.00) N 5.00 14.00670 N( 1.00) 4 Sym. Ops., with 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 = 2 180 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 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 375 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( 0.0000000 0.0000000 0.0216977), wk = 0.0026667 k( 3) = ( 0.0000000 0.0000000 0.0433954), wk = 0.0026667 k( 4) = ( 0.0000000 0.0000000 0.0650931), wk = 0.0026667 k( 5) = ( 0.0000000 0.0000000 0.0867908), wk = 0.0026667 k( 6) = ( 0.0000000 0.0000000 0.1084885), wk = 0.0026667 k( 7) = ( 0.0000000 0.0000000 0.1301862), wk = 0.0026667 k( 8) = ( 0.0000000 0.0000000 0.1518839), wk = 0.0026667 k( 9) = ( 0.0000000 0.0000000 0.1735816), wk = 0.0026667 k( 10) = ( 0.0000000 0.0000000 0.1952793), wk = 0.0026667 k( 11) = ( 0.0000000 0.0000000 0.2169770), wk = 0.0026667 k( 12) = ( 0.0000000 0.0000000 0.2386747), wk = 0.0026667 k( 13) = ( 0.0000000 0.0000000 0.2603724), wk = 0.0026667 k( 14) = ( 0.0000000 0.0000000 0.2820701), wk = 0.0026667 k( 15) = ( 0.0000000 0.0000000 0.3037678), wk = 0.0026667 k( 16) = ( 0.0000000 0.0000000 0.3254655), wk = 0.0026667 k( 17) = ( 0.0000000 0.0000000 0.3471632), wk = 0.0026667 k( 18) = ( 0.0000000 0.0000000 0.3688609), wk = 0.0026667 k( 19) = ( 0.0000000 0.0000000 0.3905586), wk = 0.0026667 k( 20) = ( 0.0000000 0.0000000 0.4122563), wk = 0.0026667 k( 21) = ( 0.0000000 0.0000000 0.4339540), wk = 0.0026667 k( 22) = ( 0.0000000 0.0000000 0.4556517), wk = 0.0026667 k( 23) = ( 0.0000000 0.0000000 0.4773494), wk = 0.0026667 k( 24) = ( 0.0000000 0.0000000 0.4990471), wk = 0.0026667 k( 25) = ( 0.0000000 0.0000000 0.5207448), wk = 0.0026667 k( 26) = ( 0.0000000 0.0000000 0.5424425), wk = 0.0026667 k( 27) = ( 0.0000000 0.0000000 0.5641402), wk = 0.0026667 k( 28) = ( 0.0000000 0.0000000 0.5858379), wk = 0.0026667 k( 29) = ( 0.0000000 0.0000000 0.6075356), wk = 0.0026667 k( 30) = ( 0.0000000 0.0000000 0.6292333), wk = 0.0026667 k( 31) = ( 0.0000000 0.0000000 0.6509310), wk = 0.0026667 k( 32) = ( 0.0000000 0.0000000 0.6726287), wk = 0.0026667 k( 33) = ( 0.0000000 0.0000000 0.6943264), wk = 0.0026667 k( 34) = ( 0.0000000 0.0000000 0.7160241), wk = 0.0026667 k( 35) = ( 0.0000000 0.0000000 0.7377218), wk = 0.0026667 k( 36) = ( 0.0000000 0.0000000 0.7594195), wk = 0.0026667 k( 37) = ( 0.0000000 0.0000000 0.7811172), wk = 0.0026667 k( 38) = ( 0.0000000 0.0000000 0.8028149), wk = 0.0026667 k( 39) = ( 0.0000000 0.0000000 0.8245126), wk = 0.0026667 k( 40) = ( 0.0000000 0.0000000 0.8462103), wk = 0.0026667 k( 41) = ( 0.0000000 0.0000000 0.8679080), wk = 0.0026667 k( 42) = ( 0.0000000 0.0000000 0.8896057), wk = 0.0026667 k( 43) = ( 0.0000000 0.0000000 0.9113034), wk = 0.0026667 k( 44) = ( 0.0000000 0.0000000 0.9330011), wk = 0.0026667 k( 45) = ( 0.0000000 0.0000000 0.9546988), wk = 0.0026667 k( 46) = ( 0.0000000 0.0000000 0.9763965), wk = 0.0026667 k( 47) = ( 0.0000000 0.0000000 0.9980942), wk = 0.0026667 k( 48) = ( 0.0000000 0.0000000 1.0197919), wk = 0.0026667 k( 49) = ( 0.0000000 0.0000000 1.0414896), wk = 0.0026667 k( 50) = ( 0.0000000 0.0000000 1.0631873), wk = 0.0026667 k( 51) = ( 0.0000000 0.0000000 1.0848850), wk = 0.0026667 k( 52) = ( 0.0000000 0.0000000 1.1065827), wk = 0.0026667 k( 53) = ( 0.0000000 0.0000000 1.1282804), wk = 0.0026667 k( 54) = ( 0.0000000 0.0000000 1.1499781), wk = 0.0026667 k( 55) = ( 0.0000000 0.0000000 1.1716758), wk = 0.0026667 k( 56) = ( 0.0000000 0.0000000 1.1933735), wk = 0.0026667 k( 57) = ( 0.0000000 0.0000000 1.2150712), wk = 0.0026667 k( 58) = ( 0.0000000 0.0000000 1.2367689), wk = 0.0026667 k( 59) = ( 0.0000000 0.0000000 1.2584666), wk = 0.0026667 k( 60) = ( 0.0000000 0.0000000 1.2801643), wk = 0.0026667 k( 61) = ( 0.0000000 0.0000000 1.3018620), wk = 0.0026667 k( 62) = ( 0.0000000 0.0000000 1.3235597), wk = 0.0026667 k( 63) = ( 0.0000000 0.0000000 1.3452574), wk = 0.0026667 k( 64) = ( 0.0000000 0.0000000 1.3452574), wk = 0.0026667 k( 65) = ( -0.0080143 0.0200178 1.3452574), wk = 0.0026667 k( 66) = ( -0.0160285 0.0400357 1.3452574), wk = 0.0026667 k( 67) = ( -0.0240428 0.0600535 1.3452574), wk = 0.0026667 k( 68) = ( -0.0320571 0.0800713 1.3452574), wk = 0.0026667 k( 69) = ( -0.0400714 0.1000892 1.3452574), wk = 0.0026667 k( 70) = ( -0.0400714 0.1000892 1.3452574), wk = 0.0026667 k( 71) = ( -0.0456802 0.1140989 1.3301666), wk = 0.0026667 k( 72) = ( -0.0512891 0.1281086 1.3150759), wk = 0.0026667 k( 73) = ( -0.0568980 0.1421183 1.2999851), wk = 0.0026667 k( 74) = ( -0.0625069 0.1561281 1.2848943), wk = 0.0026667 k( 75) = ( -0.0681158 0.1701378 1.2698035), wk = 0.0026667 k( 76) = ( -0.0737247 0.1841475 1.2547127), wk = 0.0026667 k( 77) = ( -0.0793336 0.1981572 1.2396219), wk = 0.0026667 k( 78) = ( -0.0849424 0.2121669 1.2245311), wk = 0.0026667 k( 79) = ( -0.0905513 0.2261767 1.2094403), wk = 0.0026667 k( 80) = ( -0.0961602 0.2401864 1.1943495), wk = 0.0026667 k( 81) = ( -0.1017691 0.2541961 1.1792587), wk = 0.0026667 k( 82) = ( -0.1073780 0.2682059 1.1641679), wk = 0.0026667 k( 83) = ( -0.1129869 0.2822156 1.1490771), wk = 0.0026667 k( 84) = ( -0.1185958 0.2962253 1.1339864), wk = 0.0026667 k( 85) = ( -0.1242046 0.3102350 1.1188956), wk = 0.0026667 k( 86) = ( -0.1298135 0.3242447 1.1038048), wk = 0.0026667 k( 87) = ( -0.1354224 0.3382545 1.0887140), wk = 0.0026667 k( 88) = ( -0.1410313 0.3522642 1.0736232), wk = 0.0026667 k( 89) = ( -0.1466402 0.3662739 1.0585324), wk = 0.0026667 k( 90) = ( -0.1522491 0.3802837 1.0434416), wk = 0.0026667 k( 91) = ( -0.1578580 0.3942934 1.0283508), wk = 0.0026667 k( 92) = ( -0.1634668 0.4083031 1.0132600), wk = 0.0026667 k( 93) = ( -0.1690757 0.4223128 0.9981692), wk = 0.0026667 k( 94) = ( -0.1746846 0.4363225 0.9830785), wk = 0.0026667 k( 95) = ( -0.1802935 0.4503322 0.9679877), wk = 0.0026667 k( 96) = ( -0.1859024 0.4643420 0.9528969), wk = 0.0026667 k( 97) = ( -0.1915113 0.4783517 0.9378061), wk = 0.0026667 k( 98) = ( -0.1971202 0.4923614 0.9227153), wk = 0.0026667 k( 99) = ( -0.2027290 0.5063712 0.9076245), wk = 0.0026667 k( 100) = ( -0.2083379 0.5203809 0.8925337), wk = 0.0026667 k( 101) = ( -0.2139468 0.5343906 0.8774429), wk = 0.0026667 k( 102) = ( -0.2195557 0.5484003 0.8623521), wk = 0.0026667 k( 103) = ( -0.2251646 0.5624100 0.8472613), wk = 0.0026667 k( 104) = ( -0.2307735 0.5764198 0.8321705), wk = 0.0026667 k( 105) = ( -0.2363824 0.5904295 0.8170797), wk = 0.0026667 k( 106) = ( -0.2419912 0.6044392 0.8019890), wk = 0.0026667 k( 107) = ( -0.2476001 0.6184490 0.7868982), wk = 0.0026667 k( 108) = ( -0.2532090 0.6324587 0.7718074), wk = 0.0026667 k( 109) = ( -0.2588179 0.6464684 0.7567166), wk = 0.0026667 k( 110) = ( -0.2644268 0.6604781 0.7416258), wk = 0.0026667 k( 111) = ( -0.2700357 0.6744878 0.7265350), wk = 0.0026667 k( 112) = ( -0.2700357 0.6744878 0.7265350), wk = 0.0026667 k( 113) = ( -0.2644099 0.6604360 0.7113989), wk = 0.0026667 k( 114) = ( -0.2587842 0.6463842 0.6962627), wk = 0.0026667 k( 115) = ( -0.2531584 0.6323324 0.6811266), wk = 0.0026667 k( 116) = ( -0.2475327 0.6182805 0.6659904), wk = 0.0026667 k( 117) = ( -0.2419070 0.6042287 0.6508543), wk = 0.0026667 k( 118) = ( -0.2362812 0.5901769 0.6357181), wk = 0.0026667 k( 119) = ( -0.2306555 0.5761250 0.6205820), wk = 0.0026667 k( 120) = ( -0.2250297 0.5620732 0.6054458), wk = 0.0026667 k( 121) = ( -0.2194040 0.5480214 0.5903097), wk = 0.0026667 k( 122) = ( -0.2137783 0.5339696 0.5751736), wk = 0.0026667 k( 123) = ( -0.2081525 0.5199177 0.5600374), wk = 0.0026667 k( 124) = ( -0.2025268 0.5058659 0.5449013), wk = 0.0026667 k( 125) = ( -0.1969010 0.4918141 0.5297651), wk = 0.0026667 k( 126) = ( -0.1912753 0.4777622 0.5146290), wk = 0.0026667 k( 127) = ( -0.1856495 0.4637104 0.4994928), wk = 0.0026667 k( 128) = ( -0.1800238 0.4496586 0.4843567), wk = 0.0026667 k( 129) = ( -0.1743980 0.4356067 0.4692205), wk = 0.0026667 k( 130) = ( -0.1687723 0.4215549 0.4540844), wk = 0.0026667 k( 131) = ( -0.1631466 0.4075031 0.4389482), wk = 0.0026667 k( 132) = ( -0.1575208 0.3934512 0.4238121), wk = 0.0026667 k( 133) = ( -0.1518951 0.3793994 0.4086759), wk = 0.0026667 k( 134) = ( -0.1462693 0.3653476 0.3935398), wk = 0.0026667 k( 135) = ( -0.1406436 0.3512957 0.3784036), wk = 0.0026667 k( 136) = ( -0.1350178 0.3372439 0.3632675), wk = 0.0026667 k( 137) = ( -0.1293921 0.3231921 0.3481314), wk = 0.0026667 k( 138) = ( -0.1237663 0.3091403 0.3329952), wk = 0.0026667 k( 139) = ( -0.1181406 0.2950884 0.3178591), wk = 0.0026667 k( 140) = ( -0.1125149 0.2810366 0.3027229), wk = 0.0026667 k( 141) = ( -0.1068891 0.2669848 0.2875868), wk = 0.0026667 k( 142) = ( -0.1012634 0.2529329 0.2724506), wk = 0.0026667 k( 143) = ( -0.0956376 0.2388811 0.2573145), wk = 0.0026667 k( 144) = ( -0.0900119 0.2248293 0.2421783), wk = 0.0026667 k( 145) = ( -0.0843861 0.2107775 0.2270422), wk = 0.0026667 k( 146) = ( -0.0787604 0.1967256 0.2119061), wk = 0.0026667 k( 147) = ( -0.0731347 0.1826738 0.1967699), wk = 0.0026667 k( 148) = ( -0.0675089 0.1686220 0.1816338), wk = 0.0026667 k( 149) = ( -0.0618832 0.1545701 0.1664976), wk = 0.0026667 k( 150) = ( -0.0562574 0.1405183 0.1513615), wk = 0.0026667 k( 151) = ( -0.0506317 0.1264665 0.1362253), wk = 0.0026667 k( 152) = ( -0.0450060 0.1124146 0.1210892), wk = 0.0026667 k( 153) = ( -0.0393802 0.0983628 0.1059530), wk = 0.0026667 k( 154) = ( -0.0337545 0.0843110 0.0908169), wk = 0.0026667 k( 155) = ( -0.0281287 0.0702592 0.0756807), wk = 0.0026667 k( 156) = ( -0.0225030 0.0562073 0.0605446), wk = 0.0026667 k( 157) = ( -0.0168772 0.0421555 0.0454084), wk = 0.0026667 k( 158) = ( -0.0112515 0.0281037 0.0302723), wk = 0.0026667 k( 159) = ( -0.0056257 0.0140518 0.0151361), wk = 0.0026667 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 162) = ( 0.0200000 0.0080071 -0.0000000), wk = 0.0026667 k( 163) = ( 0.0400000 0.0160143 -0.0000000), wk = 0.0026667 k( 164) = ( 0.0600000 0.0240214 -0.0000000), wk = 0.0026667 k( 165) = ( 0.0800000 0.0320285 -0.0000000), wk = 0.0026667 k( 166) = ( 0.1000000 0.0400357 -0.0000000), wk = 0.0026667 k( 167) = ( 0.1200000 0.0480428 -0.0000000), wk = 0.0026667 k( 168) = ( 0.1400000 0.0560499 -0.0000000), wk = 0.0026667 k( 169) = ( 0.1600000 0.0640571 -0.0000000), wk = 0.0026667 k( 170) = ( 0.1800000 0.0720642 -0.0000000), wk = 0.0026667 k( 171) = ( 0.2000000 0.0800713 -0.0000000), wk = 0.0026667 k( 172) = ( 0.2200000 0.0880785 -0.0000000), wk = 0.0026667 k( 173) = ( 0.2400000 0.0960856 -0.0000000), wk = 0.0026667 k( 174) = ( 0.2600000 0.1040927 -0.0000000), wk = 0.0026667 k( 175) = ( 0.2800000 0.1120999 -0.0000000), wk = 0.0026667 k( 176) = ( 0.3000000 0.1201070 -0.0000000), wk = 0.0026667 k( 177) = ( 0.3200000 0.1281141 -0.0000000), wk = 0.0026667 k( 178) = ( 0.3400000 0.1361213 -0.0000000), wk = 0.0026667 k( 179) = ( 0.3600000 0.1441284 -0.0000000), wk = 0.0026667 k( 180) = ( 0.3800000 0.1521355 -0.0000000), wk = 0.0026667 k( 181) = ( 0.4000000 0.1601427 -0.0000000), wk = 0.0026667 k( 182) = ( 0.4200000 0.1681498 -0.0000000), wk = 0.0026667 k( 183) = ( 0.4400000 0.1761569 -0.0000000), wk = 0.0026667 k( 184) = ( 0.4600000 0.1841640 -0.0000000), wk = 0.0026667 k( 185) = ( 0.4800000 0.1921712 -0.0000000), wk = 0.0026667 k( 186) = ( 0.5000000 0.2001783 -0.0000000), wk = 0.0026667 k( 187) = ( 0.5000000 0.2001783 -0.0000000), wk = 0.0026667 k( 188) = ( 0.4943911 0.2141880 0.0150908), wk = 0.0026667 k( 189) = ( 0.4887822 0.2281978 0.0301816), wk = 0.0026667 k( 190) = ( 0.4831733 0.2422075 0.0452724), wk = 0.0026667 k( 191) = ( 0.4775645 0.2562172 0.0603632), wk = 0.0026667 k( 192) = ( 0.4719556 0.2702269 0.0754540), wk = 0.0026667 k( 193) = ( 0.4663467 0.2842367 0.0905448), wk = 0.0026667 k( 194) = ( 0.4607378 0.2982464 0.1056355), wk = 0.0026667 k( 195) = ( 0.4551289 0.3122561 0.1207263), wk = 0.0026667 k( 196) = ( 0.4495200 0.3262658 0.1358171), wk = 0.0026667 k( 197) = ( 0.4439111 0.3402756 0.1509079), wk = 0.0026667 k( 198) = ( 0.4383023 0.3542853 0.1659987), wk = 0.0026667 k( 199) = ( 0.4326934 0.3682950 0.1810895), wk = 0.0026667 k( 200) = ( 0.4270845 0.3823047 0.1961803), wk = 0.0026667 k( 201) = ( 0.4214756 0.3963144 0.2112711), wk = 0.0026667 k( 202) = ( 0.4158667 0.4103242 0.2263619), wk = 0.0026667 k( 203) = ( 0.4102578 0.4243339 0.2414526), wk = 0.0026667 k( 204) = ( 0.4046489 0.4383436 0.2565434), wk = 0.0026667 k( 205) = ( 0.3990400 0.4523534 0.2716342), wk = 0.0026667 k( 206) = ( 0.3934312 0.4663631 0.2867250), wk = 0.0026667 k( 207) = ( 0.3878223 0.4803728 0.3018158), wk = 0.0026667 k( 208) = ( 0.3822134 0.4943825 0.3169066), wk = 0.0026667 k( 209) = ( 0.3766045 0.5083922 0.3319974), wk = 0.0026667 k( 210) = ( 0.3709956 0.5224020 0.3470882), wk = 0.0026667 k( 211) = ( 0.3653867 0.5364117 0.3621790), wk = 0.0026667 k( 212) = ( 0.3597779 0.5504214 0.3772698), wk = 0.0026667 k( 213) = ( 0.3541690 0.5644311 0.3923606), wk = 0.0026667 k( 214) = ( 0.3485601 0.5784409 0.4074514), wk = 0.0026667 k( 215) = ( 0.3429512 0.5924506 0.4225421), wk = 0.0026667 k( 216) = ( 0.3373423 0.6064603 0.4376329), wk = 0.0026667 k( 217) = ( 0.3317334 0.6204700 0.4527237), wk = 0.0026667 k( 218) = ( 0.3261245 0.6344798 0.4678145), wk = 0.0026667 k( 219) = ( 0.3205156 0.6484895 0.4829053), wk = 0.0026667 k( 220) = ( 0.3149068 0.6624992 0.4979961), wk = 0.0026667 k( 221) = ( 0.3092979 0.6765089 0.5130869), wk = 0.0026667 k( 222) = ( 0.3036890 0.6905187 0.5281777), wk = 0.0026667 k( 223) = ( 0.2980801 0.7045284 0.5432685), wk = 0.0026667 k( 224) = ( 0.2924712 0.7185381 0.5583593), wk = 0.0026667 k( 225) = ( 0.2868623 0.7325478 0.5734500), wk = 0.0026667 k( 226) = ( 0.2812535 0.7465576 0.5885408), wk = 0.0026667 k( 227) = ( 0.2756446 0.7605673 0.6036316), wk = 0.0026667 k( 228) = ( 0.2700357 0.7745770 0.6187224), wk = 0.0026667 k( 229) = ( 0.2700357 0.7745770 0.6187224), wk = 0.0026667 k( 230) = ( 0.2492637 0.7707274 0.6228691), wk = 0.0026667 k( 231) = ( 0.2284917 0.7668778 0.6270157), wk = 0.0026667 k( 232) = ( 0.2077198 0.7630283 0.6311623), wk = 0.0026667 k( 233) = ( 0.1869478 0.7591787 0.6353090), wk = 0.0026667 k( 234) = ( 0.1661758 0.7553291 0.6394556), wk = 0.0026667 k( 235) = ( 0.1454038 0.7514795 0.6436022), wk = 0.0026667 k( 236) = ( 0.1246319 0.7476299 0.6477489), wk = 0.0026667 k( 237) = ( 0.1038599 0.7437803 0.6518955), wk = 0.0026667 k( 238) = ( 0.0830879 0.7399308 0.6560422), wk = 0.0026667 k( 239) = ( 0.0623159 0.7360812 0.6601888), wk = 0.0026667 k( 240) = ( 0.0415440 0.7322316 0.6643354), wk = 0.0026667 k( 241) = ( 0.0207720 0.7283820 0.6684821), wk = 0.0026667 k( 242) = ( 0.0000000 0.7245324 0.6726287), wk = 0.0026667 k( 243) = ( 0.0000000 0.7245324 0.6726287), wk = 0.0026667 k( 244) = ( 0.0056818 0.7103405 0.6879157), wk = 0.0026667 k( 245) = ( 0.0113636 0.6961486 0.7032028), wk = 0.0026667 k( 246) = ( 0.0170455 0.6819568 0.7184898), wk = 0.0026667 k( 247) = ( 0.0227273 0.6677649 0.7337768), wk = 0.0026667 k( 248) = ( 0.0284091 0.6535730 0.7490638), wk = 0.0026667 k( 249) = ( 0.0340909 0.6393811 0.7643508), wk = 0.0026667 k( 250) = ( 0.0397727 0.6251892 0.7796378), wk = 0.0026667 k( 251) = ( 0.0454546 0.6109973 0.7949249), wk = 0.0026667 k( 252) = ( 0.0511364 0.5968054 0.8102119), wk = 0.0026667 k( 253) = ( 0.0568182 0.5826135 0.8254989), wk = 0.0026667 k( 254) = ( 0.0625000 0.5684216 0.8407859), wk = 0.0026667 k( 255) = ( 0.0681818 0.5542297 0.8560729), wk = 0.0026667 k( 256) = ( 0.0738636 0.5400378 0.8713599), wk = 0.0026667 k( 257) = ( 0.0795455 0.5258459 0.8866469), wk = 0.0026667 k( 258) = ( 0.0852273 0.5116540 0.9019340), wk = 0.0026667 k( 259) = ( 0.0909091 0.4974621 0.9172210), wk = 0.0026667 k( 260) = ( 0.0965909 0.4832702 0.9325080), wk = 0.0026667 k( 261) = ( 0.1022727 0.4690784 0.9477950), wk = 0.0026667 k( 262) = ( 0.1079545 0.4548865 0.9630820), wk = 0.0026667 k( 263) = ( 0.1136364 0.4406946 0.9783690), wk = 0.0026667 k( 264) = ( 0.1193182 0.4265027 0.9936561), wk = 0.0026667 k( 265) = ( 0.1250000 0.4123108 1.0089431), wk = 0.0026667 k( 266) = ( 0.1306818 0.3981189 1.0242301), wk = 0.0026667 k( 267) = ( 0.1363636 0.3839270 1.0395171), wk = 0.0026667 k( 268) = ( 0.1420454 0.3697351 1.0548041), wk = 0.0026667 k( 269) = ( 0.1477273 0.3555432 1.0700911), wk = 0.0026667 k( 270) = ( 0.1534091 0.3413513 1.0853782), wk = 0.0026667 k( 271) = ( 0.1590909 0.3271594 1.1006652), wk = 0.0026667 k( 272) = ( 0.1647727 0.3129675 1.1159522), wk = 0.0026667 k( 273) = ( 0.1704546 0.2987756 1.1312392), wk = 0.0026667 k( 274) = ( 0.1761364 0.2845838 1.1465262), wk = 0.0026667 k( 275) = ( 0.1818182 0.2703919 1.1618132), wk = 0.0026667 k( 276) = ( 0.1875000 0.2562000 1.1771003), wk = 0.0026667 k( 277) = ( 0.1931818 0.2420081 1.1923873), wk = 0.0026667 k( 278) = ( 0.1988636 0.2278162 1.2076743), wk = 0.0026667 k( 279) = ( 0.2045454 0.2136243 1.2229613), wk = 0.0026667 k( 280) = ( 0.2102273 0.1994324 1.2382483), wk = 0.0026667 k( 281) = ( 0.2159091 0.1852405 1.2535353), wk = 0.0026667 k( 282) = ( 0.2215909 0.1710486 1.2688224), wk = 0.0026667 k( 283) = ( 0.2272727 0.1568567 1.2841094), wk = 0.0026667 k( 284) = ( 0.2329546 0.1426648 1.2993964), wk = 0.0026667 k( 285) = ( 0.2386364 0.1284730 1.3146834), wk = 0.0026667 k( 286) = ( 0.2443182 0.1142811 1.3299704), wk = 0.0026667 k( 287) = ( 0.2500000 0.1000892 1.3452574), wk = 0.0026667 k( 288) = ( 0.2500000 0.1000892 1.3452574), wk = 0.0026667 k( 289) = ( 0.2678571 0.1072384 1.3375565), wk = 0.0026667 k( 290) = ( 0.2857143 0.1143876 1.3298556), wk = 0.0026667 k( 291) = ( 0.3035714 0.1215368 1.3221547), wk = 0.0026667 k( 292) = ( 0.3214286 0.1286861 1.3144538), wk = 0.0026667 k( 293) = ( 0.3392857 0.1358353 1.3067529), wk = 0.0026667 k( 294) = ( 0.3571429 0.1429845 1.2990520), wk = 0.0026667 k( 295) = ( 0.3750000 0.1501337 1.2913511), wk = 0.0026667 k( 296) = ( 0.3928571 0.1572830 1.2836502), wk = 0.0026667 k( 297) = ( 0.4107143 0.1644322 1.2759494), wk = 0.0026667 k( 298) = ( 0.4285714 0.1715814 1.2682484), wk = 0.0026667 k( 299) = ( 0.4464286 0.1787306 1.2605475), wk = 0.0026667 k( 300) = ( 0.4642857 0.1858799 1.2528466), wk = 0.0026667 k( 301) = ( 0.4821429 0.1930291 1.2451458), wk = 0.0026667 k( 302) = ( 0.5000000 0.2001783 1.2374448), wk = 0.0026667 k( 303) = ( 0.5000000 0.2001783 1.2374448), wk = 0.0026667 k( 304) = ( 0.5000000 0.2001783 1.2161096), wk = 0.0026667 k( 305) = ( 0.5000000 0.2001783 1.1947743), wk = 0.0026667 k( 306) = ( 0.5000000 0.2001783 1.1734391), wk = 0.0026667 k( 307) = ( 0.5000000 0.2001783 1.1521038), wk = 0.0026667 k( 308) = ( 0.5000000 0.2001783 1.1307686), wk = 0.0026667 k( 309) = ( 0.5000000 0.2001783 1.1094333), wk = 0.0026667 k( 310) = ( 0.5000000 0.2001783 1.0880981), wk = 0.0026667 k( 311) = ( 0.5000000 0.2001783 1.0667628), wk = 0.0026667 k( 312) = ( 0.5000000 0.2001783 1.0454276), wk = 0.0026667 k( 313) = ( 0.5000000 0.2001783 1.0240923), wk = 0.0026667 k( 314) = ( 0.5000000 0.2001783 1.0027570), wk = 0.0026667 k( 315) = ( 0.5000000 0.2001783 0.9814218), wk = 0.0026667 k( 316) = ( 0.5000000 0.2001783 0.9600865), wk = 0.0026667 k( 317) = ( 0.5000000 0.2001783 0.9387513), wk = 0.0026667 k( 318) = ( 0.5000000 0.2001783 0.9174160), wk = 0.0026667 k( 319) = ( 0.5000000 0.2001783 0.8960808), wk = 0.0026667 k( 320) = ( 0.5000000 0.2001783 0.8747455), wk = 0.0026667 k( 321) = ( 0.5000000 0.2001783 0.8534103), wk = 0.0026667 k( 322) = ( 0.5000000 0.2001783 0.8320750), wk = 0.0026667 k( 323) = ( 0.5000000 0.2001783 0.8107397), wk = 0.0026667 k( 324) = ( 0.5000000 0.2001783 0.7894045), wk = 0.0026667 k( 325) = ( 0.5000000 0.2001783 0.7680692), wk = 0.0026667 k( 326) = ( 0.5000000 0.2001783 0.7467340), wk = 0.0026667 k( 327) = ( 0.5000000 0.2001783 0.7253987), wk = 0.0026667 k( 328) = ( 0.5000000 0.2001783 0.7040635), wk = 0.0026667 k( 329) = ( 0.5000000 0.2001783 0.6827282), wk = 0.0026667 k( 330) = ( 0.5000000 0.2001783 0.6613929), wk = 0.0026667 k( 331) = ( 0.5000000 0.2001783 0.6400577), wk = 0.0026667 k( 332) = ( 0.5000000 0.2001783 0.6187224), wk = 0.0026667 k( 333) = ( 0.5000000 0.2001783 0.5973872), wk = 0.0026667 k( 334) = ( 0.5000000 0.2001783 0.5760519), wk = 0.0026667 k( 335) = ( 0.5000000 0.2001783 0.5547167), wk = 0.0026667 k( 336) = ( 0.5000000 0.2001783 0.5333814), wk = 0.0026667 k( 337) = ( 0.5000000 0.2001783 0.5120461), wk = 0.0026667 k( 338) = ( 0.5000000 0.2001783 0.4907109), wk = 0.0026667 k( 339) = ( 0.5000000 0.2001783 0.4693756), wk = 0.0026667 k( 340) = ( 0.5000000 0.2001783 0.4480404), wk = 0.0026667 k( 341) = ( 0.5000000 0.2001783 0.4267051), wk = 0.0026667 k( 342) = ( 0.5000000 0.2001783 0.4053699), wk = 0.0026667 k( 343) = ( 0.5000000 0.2001783 0.3840346), wk = 0.0026667 k( 344) = ( 0.5000000 0.2001783 0.3626994), wk = 0.0026667 k( 345) = ( 0.5000000 0.2001783 0.3413641), wk = 0.0026667 k( 346) = ( 0.5000000 0.2001783 0.3200288), wk = 0.0026667 k( 347) = ( 0.5000000 0.2001783 0.2986936), wk = 0.0026667 k( 348) = ( 0.5000000 0.2001783 0.2773583), wk = 0.0026667 k( 349) = ( 0.5000000 0.2001783 0.2560231), wk = 0.0026667 k( 350) = ( 0.5000000 0.2001783 0.2346878), wk = 0.0026667 k( 351) = ( 0.5000000 0.2001783 0.2133526), wk = 0.0026667 k( 352) = ( 0.5000000 0.2001783 0.1920173), wk = 0.0026667 k( 353) = ( 0.5000000 0.2001783 0.1706820), wk = 0.0026667 k( 354) = ( 0.5000000 0.2001783 0.1493468), wk = 0.0026667 k( 355) = ( 0.5000000 0.2001783 0.1280115), wk = 0.0026667 k( 356) = ( 0.5000000 0.2001783 0.1066763), wk = 0.0026667 k( 357) = ( 0.5000000 0.2001783 0.0853410), wk = 0.0026667 k( 358) = ( 0.5000000 0.2001783 0.0640058), wk = 0.0026667 k( 359) = ( 0.5000000 0.2001783 0.0426705), wk = 0.0026667 k( 360) = ( 0.5000000 0.2001783 0.0213352), wk = 0.0026667 k( 361) = ( 0.5000000 0.2001783 -0.0000000), wk = 0.0026667 k( 362) = ( 0.0000000 0.0000000 1.3452574), wk = 0.0026667 k( 363) = ( 0.0192308 0.0076992 1.3452574), wk = 0.0026667 k( 364) = ( 0.0384615 0.0153983 1.3452574), wk = 0.0026667 k( 365) = ( 0.0576923 0.0230975 1.3452574), wk = 0.0026667 k( 366) = ( 0.0769231 0.0307967 1.3452574), wk = 0.0026667 k( 367) = ( 0.0961538 0.0384958 1.3452574), wk = 0.0026667 k( 368) = ( 0.1153846 0.0461950 1.3452574), wk = 0.0026667 k( 369) = ( 0.1346154 0.0538942 1.3452574), wk = 0.0026667 k( 370) = ( 0.1538461 0.0615933 1.3452574), wk = 0.0026667 k( 371) = ( 0.1730769 0.0692925 1.3452574), wk = 0.0026667 k( 372) = ( 0.1923077 0.0769917 1.3452574), wk = 0.0026667 k( 373) = ( 0.2115385 0.0846908 1.3452574), wk = 0.0026667 k( 374) = ( 0.2307692 0.0923900 1.3452574), wk = 0.0026667 k( 375) = ( 0.2500000 0.1000892 1.3452574), wk = 0.0026667 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( 0.0000000 0.0000000 0.0080645), wk = 0.0026667 k( 3) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0026667 k( 4) = ( 0.0000000 0.0000000 0.0241936), wk = 0.0026667 k( 5) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0026667 k( 6) = ( 0.0000000 0.0000000 0.0403226), wk = 0.0026667 k( 7) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0026667 k( 8) = ( 0.0000000 0.0000000 0.0564516), wk = 0.0026667 k( 9) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0026667 k( 10) = ( 0.0000000 0.0000000 0.0725807), wk = 0.0026667 k( 11) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0026667 k( 12) = ( 0.0000000 0.0000000 0.0887097), wk = 0.0026667 k( 13) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0026667 k( 14) = ( 0.0000000 0.0000000 0.1048387), wk = 0.0026667 k( 15) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0026667 k( 16) = ( 0.0000000 0.0000000 0.1209677), wk = 0.0026667 k( 17) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0026667 k( 18) = ( 0.0000000 0.0000000 0.1370968), wk = 0.0026667 k( 19) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0026667 k( 20) = ( 0.0000000 0.0000000 0.1532258), wk = 0.0026667 k( 21) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0026667 k( 22) = ( 0.0000000 0.0000000 0.1693548), wk = 0.0026667 k( 23) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0026667 k( 24) = ( 0.0000000 0.0000000 0.1854839), wk = 0.0026667 k( 25) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0026667 k( 26) = ( 0.0000000 0.0000000 0.2016129), wk = 0.0026667 k( 27) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0026667 k( 28) = ( 0.0000000 0.0000000 0.2177419), wk = 0.0026667 k( 29) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0026667 k( 30) = ( 0.0000000 0.0000000 0.2338710), wk = 0.0026667 k( 31) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0026667 k( 32) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026667 k( 33) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0026667 k( 34) = ( 0.0000000 0.0000000 0.2661290), wk = 0.0026667 k( 35) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0026667 k( 36) = ( 0.0000000 0.0000000 0.2822581), wk = 0.0026667 k( 37) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0026667 k( 38) = ( 0.0000000 0.0000000 0.2983871), wk = 0.0026667 k( 39) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0026667 k( 40) = ( 0.0000000 0.0000000 0.3145161), wk = 0.0026667 k( 41) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0026667 k( 42) = ( 0.0000000 0.0000000 0.3306452), wk = 0.0026667 k( 43) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0026667 k( 44) = ( 0.0000000 0.0000000 0.3467742), wk = 0.0026667 k( 45) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0026667 k( 46) = ( 0.0000000 0.0000000 0.3629032), wk = 0.0026667 k( 47) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0026667 k( 48) = ( 0.0000000 0.0000000 0.3790323), wk = 0.0026667 k( 49) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0026667 k( 50) = ( 0.0000000 0.0000000 0.3951613), wk = 0.0026667 k( 51) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0026667 k( 52) = ( 0.0000000 0.0000000 0.4112903), wk = 0.0026667 k( 53) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0026667 k( 54) = ( 0.0000000 0.0000000 0.4274194), wk = 0.0026667 k( 55) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0026667 k( 56) = ( 0.0000000 0.0000000 0.4435484), wk = 0.0026667 k( 57) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0026667 k( 58) = ( 0.0000000 0.0000000 0.4596774), wk = 0.0026667 k( 59) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0026667 k( 60) = ( 0.0000000 0.0000000 0.4758064), wk = 0.0026667 k( 61) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0026667 k( 62) = ( 0.0000000 0.0000000 0.4919355), wk = 0.0026667 k( 63) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026667 k( 64) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026667 k( 65) = ( -0.0080143 0.0080143 0.5000000), wk = 0.0026667 k( 66) = ( -0.0160285 0.0160285 0.5000000), wk = 0.0026667 k( 67) = ( -0.0240428 0.0240428 0.5000000), wk = 0.0026667 k( 68) = ( -0.0320571 0.0320571 0.5000000), wk = 0.0026667 k( 69) = ( -0.0400714 0.0400714 0.5000000), wk = 0.0026667 k( 70) = ( -0.0400714 0.0400714 0.5000000), wk = 0.0026667 k( 71) = ( -0.0456802 0.0456802 0.4943911), wk = 0.0026667 k( 72) = ( -0.0512891 0.0512891 0.4887822), wk = 0.0026667 k( 73) = ( -0.0568980 0.0568980 0.4831733), wk = 0.0026667 k( 74) = ( -0.0625069 0.0625069 0.4775645), wk = 0.0026667 k( 75) = ( -0.0681158 0.0681158 0.4719556), wk = 0.0026667 k( 76) = ( -0.0737247 0.0737247 0.4663467), wk = 0.0026667 k( 77) = ( -0.0793336 0.0793336 0.4607378), wk = 0.0026667 k( 78) = ( -0.0849424 0.0849424 0.4551289), wk = 0.0026667 k( 79) = ( -0.0905513 0.0905513 0.4495200), wk = 0.0026667 k( 80) = ( -0.0961602 0.0961602 0.4439111), wk = 0.0026667 k( 81) = ( -0.1017691 0.1017691 0.4383023), wk = 0.0026667 k( 82) = ( -0.1073780 0.1073780 0.4326934), wk = 0.0026667 k( 83) = ( -0.1129869 0.1129869 0.4270845), wk = 0.0026667 k( 84) = ( -0.1185958 0.1185958 0.4214756), wk = 0.0026667 k( 85) = ( -0.1242046 0.1242047 0.4158667), wk = 0.0026667 k( 86) = ( -0.1298135 0.1298135 0.4102578), wk = 0.0026667 k( 87) = ( -0.1354224 0.1354224 0.4046489), wk = 0.0026667 k( 88) = ( -0.1410313 0.1410313 0.3990400), wk = 0.0026667 k( 89) = ( -0.1466402 0.1466402 0.3934312), wk = 0.0026667 k( 90) = ( -0.1522491 0.1522491 0.3878223), wk = 0.0026667 k( 91) = ( -0.1578580 0.1578580 0.3822134), wk = 0.0026667 k( 92) = ( -0.1634668 0.1634669 0.3766045), wk = 0.0026667 k( 93) = ( -0.1690757 0.1690757 0.3709956), wk = 0.0026667 k( 94) = ( -0.1746846 0.1746846 0.3653867), wk = 0.0026667 k( 95) = ( -0.1802935 0.1802935 0.3597779), wk = 0.0026667 k( 96) = ( -0.1859024 0.1859024 0.3541690), wk = 0.0026667 k( 97) = ( -0.1915113 0.1915113 0.3485601), wk = 0.0026667 k( 98) = ( -0.1971202 0.1971202 0.3429512), wk = 0.0026667 k( 99) = ( -0.2027290 0.2027291 0.3373423), wk = 0.0026667 k( 100) = ( -0.2083379 0.2083379 0.3317334), wk = 0.0026667 k( 101) = ( -0.2139468 0.2139468 0.3261245), wk = 0.0026667 k( 102) = ( -0.2195557 0.2195557 0.3205157), wk = 0.0026667 k( 103) = ( -0.2251646 0.2251646 0.3149068), wk = 0.0026667 k( 104) = ( -0.2307735 0.2307735 0.3092979), wk = 0.0026667 k( 105) = ( -0.2363824 0.2363824 0.3036890), wk = 0.0026667 k( 106) = ( -0.2419912 0.2419913 0.2980801), wk = 0.0026667 k( 107) = ( -0.2476001 0.2476001 0.2924712), wk = 0.0026667 k( 108) = ( -0.2532090 0.2532090 0.2868623), wk = 0.0026667 k( 109) = ( -0.2588179 0.2588179 0.2812535), wk = 0.0026667 k( 110) = ( -0.2644268 0.2644268 0.2756446), wk = 0.0026667 k( 111) = ( -0.2700357 0.2700357 0.2700357), wk = 0.0026667 k( 112) = ( -0.2700357 0.2700357 0.2700357), wk = 0.0026667 k( 113) = ( -0.2644099 0.2644099 0.2644099), wk = 0.0026667 k( 114) = ( -0.2587842 0.2587842 0.2587842), wk = 0.0026667 k( 115) = ( -0.2531584 0.2531585 0.2531584), wk = 0.0026667 k( 116) = ( -0.2475327 0.2475327 0.2475327), wk = 0.0026667 k( 117) = ( -0.2419070 0.2419070 0.2419070), wk = 0.0026667 k( 118) = ( -0.2362812 0.2362812 0.2362812), wk = 0.0026667 k( 119) = ( -0.2306555 0.2306555 0.2306555), wk = 0.0026667 k( 120) = ( -0.2250297 0.2250297 0.2250297), wk = 0.0026667 k( 121) = ( -0.2194040 0.2194040 0.2194040), wk = 0.0026667 k( 122) = ( -0.2137783 0.2137783 0.2137783), wk = 0.0026667 k( 123) = ( -0.2081525 0.2081525 0.2081525), wk = 0.0026667 k( 124) = ( -0.2025268 0.2025268 0.2025268), wk = 0.0026667 k( 125) = ( -0.1969010 0.1969010 0.1969010), wk = 0.0026667 k( 126) = ( -0.1912753 0.1912753 0.1912753), wk = 0.0026667 k( 127) = ( -0.1856495 0.1856495 0.1856495), wk = 0.0026667 k( 128) = ( -0.1800238 0.1800238 0.1800238), wk = 0.0026667 k( 129) = ( -0.1743980 0.1743980 0.1743980), wk = 0.0026667 k( 130) = ( -0.1687723 0.1687723 0.1687723), wk = 0.0026667 k( 131) = ( -0.1631466 0.1631466 0.1631466), wk = 0.0026667 k( 132) = ( -0.1575208 0.1575208 0.1575208), wk = 0.0026667 k( 133) = ( -0.1518951 0.1518951 0.1518951), wk = 0.0026667 k( 134) = ( -0.1462693 0.1462693 0.1462693), wk = 0.0026667 k( 135) = ( -0.1406436 0.1406436 0.1406436), wk = 0.0026667 k( 136) = ( -0.1350178 0.1350178 0.1350178), wk = 0.0026667 k( 137) = ( -0.1293921 0.1293921 0.1293921), wk = 0.0026667 k( 138) = ( -0.1237663 0.1237664 0.1237664), wk = 0.0026667 k( 139) = ( -0.1181406 0.1181406 0.1181406), wk = 0.0026667 k( 140) = ( -0.1125149 0.1125149 0.1125149), wk = 0.0026667 k( 141) = ( -0.1068891 0.1068891 0.1068891), wk = 0.0026667 k( 142) = ( -0.1012634 0.1012634 0.1012634), wk = 0.0026667 k( 143) = ( -0.0956376 0.0956376 0.0956376), wk = 0.0026667 k( 144) = ( -0.0900119 0.0900119 0.0900119), wk = 0.0026667 k( 145) = ( -0.0843861 0.0843861 0.0843861), wk = 0.0026667 k( 146) = ( -0.0787604 0.0787604 0.0787604), wk = 0.0026667 k( 147) = ( -0.0731347 0.0731347 0.0731347), wk = 0.0026667 k( 148) = ( -0.0675089 0.0675089 0.0675089), wk = 0.0026667 k( 149) = ( -0.0618832 0.0618832 0.0618832), wk = 0.0026667 k( 150) = ( -0.0562574 0.0562574 0.0562574), wk = 0.0026667 k( 151) = ( -0.0506317 0.0506317 0.0506317), wk = 0.0026667 k( 152) = ( -0.0450060 0.0450060 0.0450060), wk = 0.0026667 k( 153) = ( -0.0393802 0.0393802 0.0393802), wk = 0.0026667 k( 154) = ( -0.0337545 0.0337545 0.0337545), wk = 0.0026667 k( 155) = ( -0.0281287 0.0281287 0.0281287), wk = 0.0026667 k( 156) = ( -0.0225030 0.0225030 0.0225030), wk = 0.0026667 k( 157) = ( -0.0168772 0.0168772 0.0168772), wk = 0.0026667 k( 158) = ( -0.0112515 0.0112515 0.0112515), wk = 0.0026667 k( 159) = ( -0.0056257 0.0056257 0.0056257), wk = 0.0026667 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 162) = ( 0.0200000 0.0200000 -0.0200000), wk = 0.0026667 k( 163) = ( 0.0400000 0.0400000 -0.0400000), wk = 0.0026667 k( 164) = ( 0.0600000 0.0600000 -0.0600000), wk = 0.0026667 k( 165) = ( 0.0800000 0.0800000 -0.0800000), wk = 0.0026667 k( 166) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0026667 k( 167) = ( 0.1200000 0.1200000 -0.1200000), wk = 0.0026667 k( 168) = ( 0.1400000 0.1400000 -0.1400000), wk = 0.0026667 k( 169) = ( 0.1600000 0.1600000 -0.1600000), wk = 0.0026667 k( 170) = ( 0.1800000 0.1800000 -0.1800000), wk = 0.0026667 k( 171) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0026667 k( 172) = ( 0.2200000 0.2200000 -0.2200000), wk = 0.0026667 k( 173) = ( 0.2400000 0.2400000 -0.2400000), wk = 0.0026667 k( 174) = ( 0.2600000 0.2600000 -0.2600000), wk = 0.0026667 k( 175) = ( 0.2800000 0.2800000 -0.2800000), wk = 0.0026667 k( 176) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0026667 k( 177) = ( 0.3200000 0.3200000 -0.3200000), wk = 0.0026667 k( 178) = ( 0.3400000 0.3400000 -0.3400000), wk = 0.0026667 k( 179) = ( 0.3600000 0.3600000 -0.3600000), wk = 0.0026667 k( 180) = ( 0.3800000 0.3800000 -0.3800000), wk = 0.0026667 k( 181) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0026667 k( 182) = ( 0.4200000 0.4200000 -0.4200000), wk = 0.0026667 k( 183) = ( 0.4400000 0.4400000 -0.4400000), wk = 0.0026667 k( 184) = ( 0.4600000 0.4600000 -0.4600000), wk = 0.0026667 k( 185) = ( 0.4800000 0.4800000 -0.4800000), wk = 0.0026667 k( 186) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026667 k( 187) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026667 k( 188) = ( 0.4943911 0.5056089 -0.4943911), wk = 0.0026667 k( 189) = ( 0.4887822 0.5112178 -0.4887822), wk = 0.0026667 k( 190) = ( 0.4831733 0.5168267 -0.4831733), wk = 0.0026667 k( 191) = ( 0.4775645 0.5224355 -0.4775645), wk = 0.0026667 k( 192) = ( 0.4719556 0.5280444 -0.4719556), wk = 0.0026667 k( 193) = ( 0.4663467 0.5336533 -0.4663467), wk = 0.0026667 k( 194) = ( 0.4607378 0.5392622 -0.4607378), wk = 0.0026667 k( 195) = ( 0.4551289 0.5448711 -0.4551289), wk = 0.0026667 k( 196) = ( 0.4495200 0.5504800 -0.4495200), wk = 0.0026667 k( 197) = ( 0.4439111 0.5560889 -0.4439111), wk = 0.0026667 k( 198) = ( 0.4383023 0.5616977 -0.4383023), wk = 0.0026667 k( 199) = ( 0.4326934 0.5673066 -0.4326934), wk = 0.0026667 k( 200) = ( 0.4270845 0.5729155 -0.4270845), wk = 0.0026667 k( 201) = ( 0.4214756 0.5785244 -0.4214756), wk = 0.0026667 k( 202) = ( 0.4158667 0.5841333 -0.4158667), wk = 0.0026667 k( 203) = ( 0.4102578 0.5897422 -0.4102578), wk = 0.0026667 k( 204) = ( 0.4046489 0.5953511 -0.4046489), wk = 0.0026667 k( 205) = ( 0.3990400 0.6009600 -0.3990400), wk = 0.0026667 k( 206) = ( 0.3934312 0.6065688 -0.3934312), wk = 0.0026667 k( 207) = ( 0.3878223 0.6121777 -0.3878223), wk = 0.0026667 k( 208) = ( 0.3822134 0.6177866 -0.3822134), wk = 0.0026667 k( 209) = ( 0.3766045 0.6233955 -0.3766045), wk = 0.0026667 k( 210) = ( 0.3709956 0.6290044 -0.3709956), wk = 0.0026667 k( 211) = ( 0.3653867 0.6346133 -0.3653867), wk = 0.0026667 k( 212) = ( 0.3597779 0.6402222 -0.3597779), wk = 0.0026667 k( 213) = ( 0.3541690 0.6458310 -0.3541690), wk = 0.0026667 k( 214) = ( 0.3485601 0.6514399 -0.3485601), wk = 0.0026667 k( 215) = ( 0.3429512 0.6570488 -0.3429512), wk = 0.0026667 k( 216) = ( 0.3373423 0.6626577 -0.3373423), wk = 0.0026667 k( 217) = ( 0.3317334 0.6682666 -0.3317334), wk = 0.0026667 k( 218) = ( 0.3261245 0.6738755 -0.3261245), wk = 0.0026667 k( 219) = ( 0.3205156 0.6794843 -0.3205156), wk = 0.0026667 k( 220) = ( 0.3149068 0.6850932 -0.3149068), wk = 0.0026667 k( 221) = ( 0.3092979 0.6907021 -0.3092979), wk = 0.0026667 k( 222) = ( 0.3036890 0.6963110 -0.3036890), wk = 0.0026667 k( 223) = ( 0.2980801 0.7019199 -0.2980801), wk = 0.0026667 k( 224) = ( 0.2924712 0.7075288 -0.2924712), wk = 0.0026667 k( 225) = ( 0.2868623 0.7131377 -0.2868623), wk = 0.0026667 k( 226) = ( 0.2812535 0.7187465 -0.2812534), wk = 0.0026667 k( 227) = ( 0.2756446 0.7243554 -0.2756446), wk = 0.0026667 k( 228) = ( 0.2700357 0.7299643 -0.2700357), wk = 0.0026667 k( 229) = ( 0.2700357 0.7299643 -0.2700357), wk = 0.0026667 k( 230) = ( 0.2492637 0.7122748 -0.2492637), wk = 0.0026667 k( 231) = ( 0.2284917 0.6945852 -0.2284917), wk = 0.0026667 k( 232) = ( 0.2077198 0.6768956 -0.2077198), wk = 0.0026667 k( 233) = ( 0.1869478 0.6592061 -0.1869478), wk = 0.0026667 k( 234) = ( 0.1661758 0.6415165 -0.1661758), wk = 0.0026667 k( 235) = ( 0.1454038 0.6238269 -0.1454038), wk = 0.0026667 k( 236) = ( 0.1246319 0.6061374 -0.1246319), wk = 0.0026667 k( 237) = ( 0.1038599 0.5884478 -0.1038599), wk = 0.0026667 k( 238) = ( 0.0830879 0.5707583 -0.0830879), wk = 0.0026667 k( 239) = ( 0.0623159 0.5530687 -0.0623159), wk = 0.0026667 k( 240) = ( 0.0415440 0.5353791 -0.0415439), wk = 0.0026667 k( 241) = ( 0.0207720 0.5176896 -0.0207720), wk = 0.0026667 k( 242) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026667 k( 243) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026667 k( 244) = ( 0.0056818 0.4943182 0.0056818), wk = 0.0026667 k( 245) = ( 0.0113636 0.4886364 0.0113636), wk = 0.0026667 k( 246) = ( 0.0170455 0.4829545 0.0170455), wk = 0.0026667 k( 247) = ( 0.0227273 0.4772727 0.0227273), wk = 0.0026667 k( 248) = ( 0.0284091 0.4715909 0.0284091), wk = 0.0026667 k( 249) = ( 0.0340909 0.4659091 0.0340909), wk = 0.0026667 k( 250) = ( 0.0397727 0.4602273 0.0397727), wk = 0.0026667 k( 251) = ( 0.0454546 0.4545455 0.0454545), wk = 0.0026667 k( 252) = ( 0.0511364 0.4488636 0.0511364), wk = 0.0026667 k( 253) = ( 0.0568182 0.4431818 0.0568182), wk = 0.0026667 k( 254) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0026667 k( 255) = ( 0.0681818 0.4318182 0.0681818), wk = 0.0026667 k( 256) = ( 0.0738636 0.4261364 0.0738636), wk = 0.0026667 k( 257) = ( 0.0795455 0.4204545 0.0795455), wk = 0.0026667 k( 258) = ( 0.0852273 0.4147727 0.0852273), wk = 0.0026667 k( 259) = ( 0.0909091 0.4090909 0.0909091), wk = 0.0026667 k( 260) = ( 0.0965909 0.4034091 0.0965909), wk = 0.0026667 k( 261) = ( 0.1022727 0.3977273 0.1022727), wk = 0.0026667 k( 262) = ( 0.1079545 0.3920455 0.1079546), wk = 0.0026667 k( 263) = ( 0.1136364 0.3863636 0.1136364), wk = 0.0026667 k( 264) = ( 0.1193182 0.3806818 0.1193182), wk = 0.0026667 k( 265) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0026667 k( 266) = ( 0.1306818 0.3693182 0.1306818), wk = 0.0026667 k( 267) = ( 0.1363636 0.3636364 0.1363636), wk = 0.0026667 k( 268) = ( 0.1420454 0.3579545 0.1420455), wk = 0.0026667 k( 269) = ( 0.1477273 0.3522727 0.1477273), wk = 0.0026667 k( 270) = ( 0.1534091 0.3465909 0.1534091), wk = 0.0026667 k( 271) = ( 0.1590909 0.3409091 0.1590909), wk = 0.0026667 k( 272) = ( 0.1647727 0.3352273 0.1647727), wk = 0.0026667 k( 273) = ( 0.1704546 0.3295455 0.1704546), wk = 0.0026667 k( 274) = ( 0.1761364 0.3238636 0.1761364), wk = 0.0026667 k( 275) = ( 0.1818182 0.3181818 0.1818182), wk = 0.0026667 k( 276) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0026667 k( 277) = ( 0.1931818 0.3068182 0.1931818), wk = 0.0026667 k( 278) = ( 0.1988636 0.3011364 0.1988636), wk = 0.0026667 k( 279) = ( 0.2045454 0.2954545 0.2045455), wk = 0.0026667 k( 280) = ( 0.2102273 0.2897727 0.2102273), wk = 0.0026667 k( 281) = ( 0.2159091 0.2840909 0.2159091), wk = 0.0026667 k( 282) = ( 0.2215909 0.2784091 0.2215909), wk = 0.0026667 k( 283) = ( 0.2272727 0.2727273 0.2272727), wk = 0.0026667 k( 284) = ( 0.2329546 0.2670454 0.2329546), wk = 0.0026667 k( 285) = ( 0.2386364 0.2613636 0.2386364), wk = 0.0026667 k( 286) = ( 0.2443182 0.2556818 0.2443182), wk = 0.0026667 k( 287) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026667 k( 288) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026667 k( 289) = ( 0.2678571 0.2678571 0.2292806), wk = 0.0026667 k( 290) = ( 0.2857143 0.2857143 0.2085612), wk = 0.0026667 k( 291) = ( 0.3035714 0.3035714 0.1878419), wk = 0.0026667 k( 292) = ( 0.3214286 0.3214286 0.1671225), wk = 0.0026667 k( 293) = ( 0.3392857 0.3392857 0.1464031), wk = 0.0026667 k( 294) = ( 0.3571429 0.3571429 0.1256837), wk = 0.0026667 k( 295) = ( 0.3750000 0.3750000 0.1049643), wk = 0.0026667 k( 296) = ( 0.3928571 0.3928571 0.0842449), wk = 0.0026667 k( 297) = ( 0.4107143 0.4107143 0.0635256), wk = 0.0026667 k( 298) = ( 0.4285714 0.4285714 0.0428062), wk = 0.0026667 k( 299) = ( 0.4464286 0.4464286 0.0220868), wk = 0.0026667 k( 300) = ( 0.4642857 0.4642857 0.0013674), wk = 0.0026667 k( 301) = ( 0.4821429 0.4821429 -0.0193520), wk = 0.0026667 k( 302) = ( 0.5000000 0.5000000 -0.0400714), wk = 0.0026667 k( 303) = ( 0.5000000 0.5000000 -0.0400714), wk = 0.0026667 k( 304) = ( 0.5000000 0.5000000 -0.0480012), wk = 0.0026667 k( 305) = ( 0.5000000 0.5000000 -0.0559310), wk = 0.0026667 k( 306) = ( 0.5000000 0.5000000 -0.0638608), wk = 0.0026667 k( 307) = ( 0.5000000 0.5000000 -0.0717906), wk = 0.0026667 k( 308) = ( 0.5000000 0.5000000 -0.0797204), wk = 0.0026667 k( 309) = ( 0.5000000 0.5000000 -0.0876502), wk = 0.0026667 k( 310) = ( 0.5000000 0.5000000 -0.0955800), wk = 0.0026667 k( 311) = ( 0.5000000 0.5000000 -0.1035098), wk = 0.0026667 k( 312) = ( 0.5000000 0.5000000 -0.1114396), wk = 0.0026667 k( 313) = ( 0.5000000 0.5000000 -0.1193694), wk = 0.0026667 k( 314) = ( 0.5000000 0.5000000 -0.1272992), wk = 0.0026667 k( 315) = ( 0.5000000 0.5000000 -0.1352290), wk = 0.0026667 k( 316) = ( 0.5000000 0.5000000 -0.1431588), wk = 0.0026667 k( 317) = ( 0.5000000 0.5000000 -0.1510886), wk = 0.0026667 k( 318) = ( 0.5000000 0.5000000 -0.1590184), wk = 0.0026667 k( 319) = ( 0.5000000 0.5000000 -0.1669482), wk = 0.0026667 k( 320) = ( 0.5000000 0.5000000 -0.1748780), wk = 0.0026667 k( 321) = ( 0.5000000 0.5000000 -0.1828078), wk = 0.0026667 k( 322) = ( 0.5000000 0.5000000 -0.1907376), wk = 0.0026667 k( 323) = ( 0.5000000 0.5000000 -0.1986674), wk = 0.0026667 k( 324) = ( 0.5000000 0.5000000 -0.2065973), wk = 0.0026667 k( 325) = ( 0.5000000 0.5000000 -0.2145270), wk = 0.0026667 k( 326) = ( 0.5000000 0.5000000 -0.2224569), wk = 0.0026667 k( 327) = ( 0.5000000 0.5000000 -0.2303867), wk = 0.0026667 k( 328) = ( 0.5000000 0.5000000 -0.2383165), wk = 0.0026667 k( 329) = ( 0.5000000 0.5000000 -0.2462463), wk = 0.0026667 k( 330) = ( 0.5000000 0.5000000 -0.2541761), wk = 0.0026667 k( 331) = ( 0.5000000 0.5000000 -0.2621059), wk = 0.0026667 k( 332) = ( 0.5000000 0.5000000 -0.2700357), wk = 0.0026667 k( 333) = ( 0.5000000 0.5000000 -0.2779655), wk = 0.0026667 k( 334) = ( 0.5000000 0.5000000 -0.2858953), wk = 0.0026667 k( 335) = ( 0.5000000 0.5000000 -0.2938251), wk = 0.0026667 k( 336) = ( 0.5000000 0.5000000 -0.3017549), wk = 0.0026667 k( 337) = ( 0.5000000 0.5000000 -0.3096847), wk = 0.0026667 k( 338) = ( 0.5000000 0.5000000 -0.3176145), wk = 0.0026667 k( 339) = ( 0.5000000 0.5000000 -0.3255443), wk = 0.0026667 k( 340) = ( 0.5000000 0.5000000 -0.3334741), wk = 0.0026667 k( 341) = ( 0.5000000 0.5000000 -0.3414039), wk = 0.0026667 k( 342) = ( 0.5000000 0.5000000 -0.3493337), wk = 0.0026667 k( 343) = ( 0.5000000 0.5000000 -0.3572635), wk = 0.0026667 k( 344) = ( 0.5000000 0.5000000 -0.3651933), wk = 0.0026667 k( 345) = ( 0.5000000 0.5000000 -0.3731231), wk = 0.0026667 k( 346) = ( 0.5000000 0.5000000 -0.3810529), wk = 0.0026667 k( 347) = ( 0.5000000 0.5000000 -0.3889827), wk = 0.0026667 k( 348) = ( 0.5000000 0.5000000 -0.3969126), wk = 0.0026667 k( 349) = ( 0.5000000 0.5000000 -0.4048424), wk = 0.0026667 k( 350) = ( 0.5000000 0.5000000 -0.4127722), wk = 0.0026667 k( 351) = ( 0.5000000 0.5000000 -0.4207020), wk = 0.0026667 k( 352) = ( 0.5000000 0.5000000 -0.4286318), wk = 0.0026667 k( 353) = ( 0.5000000 0.5000000 -0.4365616), wk = 0.0026667 k( 354) = ( 0.5000000 0.5000000 -0.4444914), wk = 0.0026667 k( 355) = ( 0.5000000 0.5000000 -0.4524212), wk = 0.0026667 k( 356) = ( 0.5000000 0.5000000 -0.4603510), wk = 0.0026667 k( 357) = ( 0.5000000 0.5000000 -0.4682808), wk = 0.0026667 k( 358) = ( 0.5000000 0.5000000 -0.4762106), wk = 0.0026667 k( 359) = ( 0.5000000 0.5000000 -0.4841404), wk = 0.0026667 k( 360) = ( 0.5000000 0.5000000 -0.4920702), wk = 0.0026667 k( 361) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026667 k( 362) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026667 k( 363) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0026667 k( 364) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0026667 k( 365) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0026667 k( 366) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0026667 k( 367) = ( 0.0961538 0.0961538 0.4038462), wk = 0.0026667 k( 368) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0026667 k( 369) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0026667 k( 370) = ( 0.1538461 0.1538461 0.3461538), wk = 0.0026667 k( 371) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0026667 k( 372) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0026667 k( 373) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0026667 k( 374) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0026667 k( 375) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026667 Dense grid: 53269 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 23159 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 168, 50) NL pseudopotentials 0.17 Mb ( 84, 130) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.01 Mb ( 1481) G-vector shells 0.01 Mb ( 700) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.51 Mb ( 168, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.20 Mb ( 130, 2, 50) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Ca2ZnN2.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.7 secs Computing kpt #: 2 total cpu time spent up to now is 5.8 secs Computing kpt #: 3 total cpu time spent up to now is 6.9 secs Computing kpt #: 4 total cpu time spent up to now is 8.0 secs Computing kpt #: 5 total cpu time spent up to now is 9.1 secs Computing kpt #: 6 total cpu time spent up to now is 10.2 secs Computing kpt #: 7 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 12.1 secs Computing kpt #: 8 total cpu time spent up to now is 13.8 secs Computing kpt #: 9 total cpu time spent up to now is 15.6 secs Computing kpt #: 10 total cpu time spent up to now is 17.2 secs Computing kpt #: 11 total cpu time spent up to now is 18.8 secs Computing kpt #: 12 total cpu time spent up to now is 20.4 secs Computing kpt #: 13 total cpu time spent up to now is 21.5 secs Computing kpt #: 14 total cpu time spent up to now is 22.7 secs Computing kpt #: 15 total cpu time spent up to now is 24.2 secs Computing kpt #: 16 total cpu time spent up to now is 25.6 secs Computing kpt #: 17 total cpu time spent up to now is 26.7 secs Computing kpt #: 18 total cpu time spent up to now is 27.8 secs Computing kpt #: 19 total cpu time spent up to now is 28.8 secs Computing kpt #: 20 total cpu time spent up to now is 29.9 secs Computing kpt #: 21 total cpu time spent up to now is 31.1 secs Computing kpt #: 22 total cpu time spent up to now is 32.1 secs Computing kpt #: 23 total cpu time spent up to now is 33.2 secs Computing kpt #: 24 total cpu time spent up to now is 34.3 secs Computing kpt #: 25 total cpu time spent up to now is 35.4 secs Computing kpt #: 26 total cpu time spent up to now is 36.4 secs Computing kpt #: 27 total cpu time spent up to now is 37.5 secs Computing kpt #: 28 total cpu time spent up to now is 38.8 secs Computing kpt #: 29 total cpu time spent up to now is 39.9 secs Computing kpt #: 30 total cpu time spent up to now is 40.8 secs Computing kpt #: 31 total cpu time spent up to now is 41.7 secs Computing kpt #: 32 total cpu time spent up to now is 42.6 secs Computing kpt #: 33 total cpu time spent up to now is 43.4 secs Computing kpt #: 34 total cpu time spent up to now is 44.2 secs Computing kpt #: 35 total cpu time spent up to now is 44.8 secs Computing kpt #: 36 total cpu time spent up to now is 45.6 secs Computing kpt #: 37 total cpu time spent up to now is 46.4 secs Computing kpt #: 38 total cpu time spent up to now is 47.1 secs Computing kpt #: 39 total cpu time spent up to now is 47.9 secs Computing kpt #: 40 total cpu time spent up to now is 48.6 secs Computing kpt #: 41 total cpu time spent up to now is 49.3 secs Computing kpt #: 42 total cpu time spent up to now is 50.1 secs Computing kpt #: 43 total cpu time spent up to now is 50.8 secs Computing kpt #: 44 total cpu time spent up to now is 51.5 secs Computing kpt #: 45 total cpu time spent up to now is 52.3 secs Computing kpt #: 46 total cpu time spent up to now is 52.9 secs Computing kpt #: 47 total cpu time spent up to now is 53.7 secs Computing kpt #: 48 total cpu time spent up to now is 54.5 secs Computing kpt #: 49 total cpu time spent up to now is 55.2 secs Computing kpt #: 50 total cpu time spent up to now is 56.0 secs Computing kpt #: 51 total cpu time spent up to now is 56.8 secs Computing kpt #: 52 total cpu time spent up to now is 57.5 secs Computing kpt #: 53 total cpu time spent up to now is 58.3 secs Computing kpt #: 54 total cpu time spent up to now is 58.9 secs Computing kpt #: 55 total cpu time spent up to now is 59.6 secs Computing kpt #: 56 total cpu time spent up to now is 60.4 secs Computing kpt #: 57 total cpu time spent up to now is 61.1 secs Computing kpt #: 58 total cpu time spent up to now is 61.8 secs Computing kpt #: 59 total cpu time spent up to now is 62.5 secs Computing kpt #: 60 total cpu time spent up to now is 63.1 secs Computing kpt #: 61 total cpu time spent up to now is 63.8 secs Computing kpt #: 62 total cpu time spent up to now is 64.6 secs Computing kpt #: 63 total cpu time spent up to now is 65.2 secs Computing kpt #: 64 total cpu time spent up to now is 65.8 secs Computing kpt #: 65 total cpu time spent up to now is 66.5 secs Computing kpt #: 66 total cpu time spent up to now is 67.3 secs Computing kpt #: 67 total cpu time spent up to now is 68.0 secs Computing kpt #: 68 total cpu time spent up to now is 68.6 secs Computing kpt #: 69 total cpu time spent up to now is 69.3 secs Computing kpt #: 70 total cpu time spent up to now is 70.1 secs Computing kpt #: 71 total cpu time spent up to now is 70.8 secs Computing kpt #: 72 total cpu time spent up to now is 71.5 secs Computing kpt #: 73 total cpu time spent up to now is 72.2 secs Computing kpt #: 74 total cpu time spent up to now is 72.9 secs Computing kpt #: 75 total cpu time spent up to now is 73.7 secs Computing kpt #: 76 total cpu 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Computing kpt #: 92 total cpu time spent up to now is 86.7 secs Computing kpt #: 93 total cpu time spent up to now is 87.5 secs Computing kpt #: 94 total cpu time spent up to now is 88.4 secs Computing kpt #: 95 total cpu time spent up to now is 89.2 secs Computing kpt #: 96 total cpu time spent up to now is 90.0 secs Computing kpt #: 97 total cpu time spent up to now is 90.9 secs Computing kpt #: 98 total cpu time spent up to now is 91.7 secs Computing kpt #: 99 total cpu time spent up to now is 92.7 secs Computing kpt #: 100 total cpu time spent up to now is 93.5 secs Computing kpt #: 101 total cpu time spent up to now is 94.4 secs Computing kpt #: 102 total cpu time spent up to now is 95.3 secs Computing kpt #: 103 total cpu time spent up to now is 96.2 secs Computing kpt #: 104 total cpu time spent up to now is 97.1 secs Computing kpt #: 105 total cpu time spent up to now is 98.0 secs Computing kpt #: 106 total cpu time spent up to now is 98.9 secs Computing kpt #: 107 total cpu 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up to now is 114.3 secs Computing kpt #: 123 total cpu time spent up to now is 115.2 secs Computing kpt #: 124 total cpu time spent up to now is 116.2 secs Computing kpt #: 125 total cpu time spent up to now is 118.0 secs Computing kpt #: 126 total cpu time spent up to now is 119.5 secs Computing kpt #: 127 total cpu time spent up to now is 120.8 secs Computing kpt #: 128 total cpu time spent up to now is 122.0 secs Computing kpt #: 129 total cpu time spent up to now is 123.1 secs Computing kpt #: 130 total cpu time spent up to now is 124.2 secs Computing kpt #: 131 total cpu time spent up to now is 125.4 secs Computing kpt #: 132 total cpu time spent up to now is 126.5 secs Computing kpt #: 133 total cpu time spent up to now is 127.5 secs Computing kpt #: 134 total cpu time spent up to now is 128.8 secs Computing kpt #: 135 total cpu time spent up to now is 129.9 secs Computing kpt #: 136 total cpu time spent up to now is 131.2 secs Computing kpt #: 137 total cpu time spent up to now is 132.4 secs Computing kpt #: 138 total cpu time spent up to now is 133.7 secs Computing kpt #: 139 total cpu time spent up to now is 135.0 secs Computing kpt #: 140 total cpu time spent up to now is 136.4 secs Computing kpt #: 141 total cpu time spent up to now is 138.0 secs Computing kpt #: 142 total cpu time spent up to now is 139.4 secs Computing kpt #: 143 total cpu time spent up to now is 140.9 secs Computing kpt #: 144 total cpu time spent up to now is 142.6 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 144.5 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 146.3 secs Computing kpt #: 147 total cpu time spent up to now is 147.5 secs Computing kpt #: 148 total cpu time spent up to now is 148.7 secs Computing kpt #: 149 total cpu time spent up to now is 150.2 secs Computing kpt #: 150 total cpu time spent up to now is 151.3 secs Computing kpt #: 151 total cpu time spent up to now is 152.4 secs Computing kpt #: 152 total cpu time spent up to now is 153.7 secs Computing kpt #: 153 total cpu time spent up to now is 154.8 secs Computing kpt #: 154 total cpu time spent up to now is 155.9 secs Computing kpt #: 155 total cpu time spent up to now is 157.0 secs Computing kpt #: 156 total cpu time spent up to now is 158.1 secs Computing kpt #: 157 total cpu time spent up to now is 159.2 secs Computing kpt #: 158 total cpu time spent up to now is 160.8 secs Computing kpt #: 159 total cpu time spent up to now is 161.9 secs Computing kpt #: 160 total cpu time spent up to now is 162.9 secs Computing kpt #: 161 total cpu time spent up to now is 164.0 secs Computing kpt #: 162 total cpu time spent up to now is 165.1 secs Computing kpt #: 163 total cpu time spent up to now is 166.2 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 168.0 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 169.8 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 171.7 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 173.6 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 175.4 secs Computing kpt #: 169 total cpu time spent up to now is 176.5 secs Computing kpt #: 170 total cpu time spent up to now is 177.6 secs Computing kpt #: 171 total cpu time spent up to now is 179.0 secs Computing kpt #: 172 total cpu time spent up to now is 180.3 secs Computing kpt #: 173 total cpu time spent up to now is 182.1 secs Computing kpt #: 174 total cpu time spent up to now is 183.4 secs Computing kpt #: 175 total cpu time spent up to now is 184.5 secs Computing kpt #: 176 total cpu time spent up to now is 185.7 secs Computing kpt #: 177 total cpu time spent up to now is 186.8 secs Computing kpt #: 178 total cpu time spent up to now is 187.9 secs Computing kpt #: 179 total cpu time spent up to now is 189.0 secs Computing kpt #: 180 total cpu time spent up to now is 190.2 secs Computing kpt #: 181 total cpu time spent up to now is 191.3 secs Computing kpt #: 182 total cpu time spent up to now is 192.5 secs Computing kpt #: 183 total cpu time spent up to now is 193.7 secs Computing kpt #: 184 total cpu time spent up to now is 194.8 secs Computing kpt #: 185 total cpu time spent up to now is 195.8 secs Computing kpt #: 186 total cpu time spent up to now is 197.0 secs Computing kpt #: 187 total cpu time spent up to now is 198.1 secs Computing kpt #: 188 total cpu time spent up to now is 199.1 secs Computing kpt #: 189 total cpu time spent up to now is 200.2 secs Computing kpt #: 190 total cpu time spent up to now is 201.2 secs Computing kpt #: 191 total cpu time spent up to now is 202.3 secs Computing kpt #: 192 total cpu time spent up to now is 203.5 secs Computing kpt #: 193 total cpu time spent up to now is 204.6 secs Computing kpt #: 194 total cpu time spent up to now is 205.7 secs Computing kpt #: 195 total cpu time spent up to now is 206.8 secs Computing kpt #: 196 total cpu time spent up to now is 207.9 secs Computing kpt #: 197 total cpu time spent up to now is 209.1 secs Computing kpt #: 198 total cpu time spent up to now is 210.1 secs Computing kpt #: 199 total cpu time spent up to now is 211.3 secs Computing kpt #: 200 total cpu time spent up to now is 212.3 secs Computing kpt #: 201 total cpu time spent up to now is 213.4 secs Computing kpt #: 202 total cpu time spent up to now is 214.5 secs Computing kpt #: 203 total cpu time spent up to now is 215.5 secs Computing kpt #: 204 total cpu time spent up to now is 216.5 secs Computing kpt #: 205 total cpu time spent up to now is 217.6 secs Computing kpt #: 206 total cpu time spent up to now is 218.6 secs Computing kpt #: 207 total cpu time spent up to now is 219.6 secs Computing kpt #: 208 total cpu time spent up to now is 220.4 secs Computing kpt #: 209 total cpu time spent up to now is 221.3 secs Computing kpt #: 210 total cpu time spent up to now is 222.2 secs Computing kpt #: 211 total cpu time spent up to now is 223.1 secs Computing kpt #: 212 total cpu time spent up to now is 224.0 secs Computing kpt #: 213 total cpu time spent up to now is 224.9 secs Computing kpt #: 214 total cpu time spent up to now is 225.7 secs Computing kpt #: 215 total cpu time spent up to now is 226.5 secs Computing kpt #: 216 total cpu time spent up to now is 227.4 secs Computing kpt #: 217 total cpu time spent up to now is 228.3 secs Computing kpt #: 218 total cpu time spent up to now is 229.2 secs Computing kpt #: 219 total cpu time spent up to now is 230.1 secs Computing kpt #: 220 total cpu time spent up to now is 231.1 secs Computing kpt #: 221 total cpu time spent up to now is 232.1 secs Computing kpt #: 222 total cpu time spent up to now is 233.2 secs Computing kpt #: 223 total cpu time spent up to now is 234.3 secs Computing kpt #: 224 total cpu time spent up to now is 235.4 secs Computing kpt #: 225 total cpu time spent up to now is 236.7 secs Computing kpt #: 226 total cpu time spent up to now is 238.0 secs Computing kpt #: 227 total cpu time spent up to now is 239.1 secs Computing kpt #: 228 total cpu time spent up to now is 240.1 secs Computing kpt #: 229 total cpu time spent up to now is 241.1 secs Computing kpt #: 230 total cpu time spent up to now is 242.1 secs Computing kpt #: 231 total cpu time spent up to now is 243.2 secs Computing kpt #: 232 total cpu time spent up to now is 244.2 secs Computing kpt #: 233 total cpu time spent up to now is 245.1 secs Computing kpt #: 234 total cpu time spent up to now is 246.2 secs Computing kpt #: 235 total cpu time spent up to now is 247.2 secs Computing kpt #: 236 total cpu time spent up to now is 248.1 secs Computing kpt #: 237 total cpu time spent up to now is 249.1 secs Computing kpt #: 238 total cpu time spent up to now is 250.0 secs Computing kpt #: 239 total cpu time spent up to now is 250.9 secs Computing kpt #: 240 total cpu time spent up to now is 251.9 secs Computing kpt #: 241 total cpu time spent up to now is 252.8 secs Computing kpt #: 242 total cpu time spent up to now is 253.7 secs Computing kpt #: 243 total cpu time spent up to now is 254.6 secs Computing kpt #: 244 total cpu time spent up to now is 255.5 secs Computing kpt #: 245 total cpu time spent up to now is 256.4 secs Computing kpt #: 246 total cpu time spent up to now is 257.3 secs Computing kpt #: 247 total cpu time spent up to now is 258.2 secs Computing kpt #: 248 total cpu time spent up to now is 259.1 secs Computing kpt #: 249 total cpu time spent up to now is 260.1 secs Computing kpt #: 250 total cpu time spent up to now is 260.9 secs Computing kpt #: 251 total cpu time spent up to now is 261.8 secs Computing kpt #: 252 total cpu time spent up to now is 262.7 secs Computing kpt #: 253 total cpu time spent up to now is 263.6 secs Computing kpt #: 254 total cpu time spent up to now is 264.7 secs Computing kpt #: 255 total cpu time spent up to now is 265.5 secs Computing kpt #: 256 total cpu time spent up to now is 266.3 secs Computing kpt #: 257 total cpu time spent up to now is 267.1 secs Computing kpt #: 258 total cpu time spent up to now is 267.9 secs Computing kpt #: 259 total cpu time spent up to now is 268.7 secs Computing kpt #: 260 total cpu time spent up to now is 269.5 secs Computing kpt #: 261 total cpu time spent up to now is 270.3 secs Computing kpt #: 262 total cpu time spent up to now is 271.1 secs Computing kpt #: 263 total cpu time spent up to now is 271.9 secs Computing kpt #: 264 total cpu time spent up to now is 272.7 secs Computing kpt #: 265 total cpu time spent up to now is 273.5 secs Computing kpt #: 266 total cpu time spent up to now is 274.3 secs Computing kpt #: 267 total cpu time spent up to now is 275.0 secs Computing kpt #: 268 total cpu time spent up to now is 275.8 secs Computing kpt #: 269 total cpu time spent up to now is 276.6 secs Computing kpt #: 270 total cpu time spent up to now is 277.4 secs Computing kpt #: 271 total cpu time spent up to now is 278.2 secs Computing kpt #: 272 total cpu time spent up to now is 279.0 secs Computing kpt #: 273 total cpu time spent up to now is 280.1 secs Computing kpt #: 274 total cpu time spent up to now is 280.9 secs Computing kpt #: 275 total cpu time spent up to now is 281.9 secs Computing kpt #: 276 total cpu time spent up to now is 282.9 secs Computing kpt #: 277 total cpu time spent up to now is 283.7 secs Computing kpt #: 278 total cpu time spent up to now is 284.7 secs Computing kpt #: 279 total cpu time spent up to now is 285.6 secs Computing kpt #: 280 total cpu time spent up to now is 286.5 secs Computing kpt #: 281 total cpu time spent up to now is 287.6 secs Computing kpt #: 282 total cpu time spent up to now is 288.7 secs Computing kpt #: 283 total cpu time spent up to now is 289.9 secs Computing kpt #: 284 total cpu time spent up to now is 291.4 secs Computing kpt #: 285 total cpu time spent up to now is 293.1 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 294.8 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 296.5 secs Computing kpt #: 288 total cpu time spent up to now is 298.0 secs Computing kpt #: 289 total cpu time spent up to now is 299.1 secs Computing kpt #: 290 total cpu time spent up to now is 299.9 secs Computing kpt #: 291 total cpu time spent up to now is 300.7 secs Computing kpt #: 292 total cpu time spent up to now is 301.4 secs Computing kpt #: 293 total cpu time spent up to now is 302.0 secs Computing kpt #: 294 total cpu time spent up to now is 302.7 secs Computing kpt #: 295 total cpu time spent up to now is 303.4 secs Computing kpt #: 296 total cpu time spent up to now is 304.0 secs Computing kpt #: 297 total cpu time spent up to now is 304.7 secs Computing kpt #: 298 total cpu time spent up to now is 305.4 secs Computing kpt #: 299 total cpu time spent up to now is 306.1 secs Computing kpt #: 300 total cpu time spent up to now is 306.8 secs Computing kpt #: 301 total cpu time spent up to now is 307.5 secs Computing kpt #: 302 total cpu time spent up to now is 308.3 secs Computing kpt #: 303 total cpu time spent up to now is 309.0 secs Computing kpt #: 304 total cpu time spent up to now is 309.7 secs Computing kpt #: 305 total cpu time spent up to now is 310.5 secs Computing kpt #: 306 total cpu time spent up to now is 311.2 secs Computing kpt #: 307 total cpu time spent up to now is 312.0 secs Computing kpt #: 308 total cpu time spent up to now is 312.7 secs Computing kpt #: 309 total cpu time spent up to now is 313.5 secs Computing kpt #: 310 total cpu time spent up to now is 314.2 secs Computing kpt #: 311 total cpu time spent up to now is 314.9 secs Computing kpt #: 312 total cpu time spent up to now is 315.7 secs Computing kpt #: 313 total cpu time spent up to now is 316.4 secs Computing kpt #: 314 total cpu time spent up to now is 317.1 secs Computing kpt #: 315 total cpu time spent up to now is 317.9 secs Computing kpt #: 316 total cpu time spent up to now is 318.6 secs Computing kpt #: 317 total cpu time spent up to now is 319.4 secs Computing kpt #: 318 total cpu time spent up to now is 320.1 secs Computing kpt #: 319 total cpu time spent up to now is 320.9 secs Computing kpt #: 320 total cpu time spent up to now is 321.7 secs Computing kpt #: 321 total cpu time spent up to now is 322.5 secs Computing kpt #: 322 total cpu time spent up to now is 323.3 secs Computing kpt #: 323 total cpu time spent up to now is 324.1 secs Computing kpt #: 324 total cpu time spent up to now is 324.9 secs Computing kpt #: 325 total cpu time spent up to now is 325.8 secs Computing kpt #: 326 total cpu time spent up to now is 326.7 secs Computing kpt #: 327 total cpu time spent up to now is 327.8 secs Computing kpt #: 328 total cpu time spent up to now is 329.0 secs Computing kpt #: 329 total cpu time spent up to now is 330.0 secs Computing kpt #: 330 total cpu time spent up to now is 331.1 secs Computing kpt #: 331 total cpu time spent up to now is 332.1 secs Computing kpt #: 332 total cpu time spent up to now is 333.0 secs Computing kpt #: 333 total cpu time spent up to now is 333.9 secs Computing kpt #: 334 total cpu time spent up to now is 334.8 secs Computing kpt #: 335 total cpu time spent up to now is 335.7 secs Computing kpt #: 336 total cpu time spent up to now is 336.5 secs Computing kpt #: 337 total cpu time spent up to now is 337.4 secs Computing kpt #: 338 total cpu time spent up to now is 338.4 secs Computing kpt #: 339 total cpu time spent up to now is 339.4 secs Computing kpt #: 340 total cpu time spent up to now is 340.4 secs Computing kpt #: 341 total cpu time spent up to now is 341.4 secs Computing kpt #: 342 total cpu time spent up to now is 342.4 secs Computing kpt #: 343 total cpu time spent up to now is 343.4 secs Computing kpt #: 344 total cpu time spent up to now is 344.4 secs Computing kpt #: 345 total cpu time spent up to now is 345.5 secs Computing kpt #: 346 total cpu time spent up to now is 346.6 secs Computing kpt #: 347 total cpu time spent up to now is 347.8 secs Computing kpt #: 348 total cpu time spent up to now is 349.3 secs Computing kpt #: 349 total cpu time spent up to now is 350.4 secs Computing kpt #: 350 total cpu time spent up to now is 351.5 secs Computing kpt #: 351 total cpu time spent up to now is 352.7 secs Computing kpt #: 352 total cpu time spent up to now is 353.8 secs Computing kpt #: 353 total cpu time spent up to now is 354.9 secs Computing kpt #: 354 total cpu time spent up to now is 356.0 secs Computing kpt #: 355 total cpu time spent up to now is 357.1 secs Computing kpt #: 356 total cpu time spent up to now is 358.2 secs Computing kpt #: 357 total cpu time spent up to now is 359.3 secs Computing kpt #: 358 total cpu time spent up to now is 360.3 secs Computing kpt #: 359 total cpu time spent up to now is 361.5 secs Computing kpt #: 360 total cpu time spent up to now is 362.5 secs Computing kpt #: 361 total cpu time spent up to now is 363.6 secs Computing kpt #: 362 total cpu time spent up to now is 364.3 secs Computing kpt #: 363 total cpu time spent up to now is 365.0 secs Computing kpt #: 364 total cpu time spent up to now is 365.6 secs Computing kpt #: 365 total cpu time spent up to now is 366.3 secs Computing kpt #: 366 total cpu time spent up to now is 367.0 secs Computing kpt #: 367 total cpu time spent up to now is 367.7 secs Computing kpt #: 368 total cpu time spent up to now is 368.4 secs Computing kpt #: 369 total cpu time spent up to now is 369.2 secs Computing kpt #: 370 total cpu time spent up to now is 369.9 secs Computing kpt #: 371 total cpu time spent up to now is 370.6 secs Computing kpt #: 372 total cpu time spent up to now is 371.5 secs Computing kpt #: 373 total cpu time spent up to now is 372.3 secs Computing kpt #: 374 total cpu time spent up to now is 373.3 secs Computing kpt #: 375 total cpu time spent up to now is 375.0 secs ethr = 2.38E-08, avg # of iterations = 42.7 total cpu time spent up to now is 375.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2905 PWs) bands (ev): -31.2486 -31.2486 -31.1736 -31.1736 -12.6706 -12.6706 -12.4395 -12.4395 -12.2428 -12.2428 -12.0821 -12.0821 -12.0604 -12.0604 -11.9301 -11.9301 -5.1665 -5.1665 -4.2829 -4.2829 1.0161 1.0161 1.1078 1.1078 1.3515 1.3515 1.4352 1.4352 1.5148 1.5148 3.6723 3.6723 6.1416 6.1416 7.4845 7.4845 7.5120 7.5120 8.0695 8.0695 8.0997 8.0997 9.0811 9.0811 10.5808 10.5808 12.0105 12.0105 13.0744 13.0745 k = 0.0000 0.0000 0.0217 ( 2901 PWs) bands (ev): -31.2485 -31.2485 -31.1736 -31.1736 -12.6706 -12.6706 -12.4397 -12.4397 -12.2427 -12.2427 -12.0825 -12.0825 -12.0601 -12.0601 -11.9302 -11.9302 -5.1658 -5.1658 -4.2824 -4.2824 1.0163 1.0163 1.1078 1.1078 1.3515 1.3515 1.4352 1.4352 1.5148 1.5148 3.6731 3.6731 6.1416 6.1416 7.4807 7.4807 7.5084 7.5084 8.0667 8.0667 8.0969 8.0969 9.0843 9.0843 10.5850 10.5850 12.0133 12.0133 13.0742 13.0742 k = 0.0000 0.0000 0.0434 ( 2905 PWs) bands (ev): -31.2484 -31.2484 -31.1736 -31.1736 -12.6705 -12.6705 -12.4405 -12.4405 -12.2426 -12.2426 -12.0838 -12.0838 -12.0594 -12.0594 -11.9309 -11.9309 -5.1637 -5.1637 -4.2808 -4.2808 1.0167 1.0167 1.1079 1.1079 1.3516 1.3516 1.4352 1.4352 1.5146 1.5146 3.6754 3.6754 6.1415 6.1415 7.4677 7.4677 7.4994 7.4994 8.0582 8.0582 8.0887 8.0887 9.0934 9.0934 10.5976 10.5976 12.0219 12.0219 13.0735 13.0735 k = 0.0000 0.0000 0.0651 ( 2901 PWs) bands (ev): -31.2482 -31.2482 -31.1736 -31.1736 -12.6705 -12.6705 -12.4418 -12.4418 -12.2424 -12.2424 -12.0859 -12.0859 -12.0583 -12.0583 -11.9318 -11.9318 -5.1603 -5.1603 -4.2781 -4.2781 1.0175 1.0175 1.1081 1.1081 1.3517 1.3517 1.4351 1.4351 1.5143 1.5143 3.6794 3.6794 6.1414 6.1414 7.4432 7.4432 7.4881 7.4881 8.0440 8.0440 8.0754 8.0754 9.1079 9.1079 10.6184 10.6184 12.0362 12.0362 13.0726 13.0726 k = 0.0000 0.0000 0.0868 ( 2903 PWs) bands (ev): -31.2479 -31.2479 -31.1736 -31.1736 -12.6703 -12.6703 -12.4435 -12.4435 -12.2422 -12.2422 -12.0885 -12.0885 -12.0570 -12.0570 -11.9332 -11.9332 -5.1555 -5.1555 -4.2744 -4.2744 1.0185 1.0185 1.1084 1.1084 1.3518 1.3518 1.4350 1.4350 1.5139 1.5139 3.6849 3.6849 6.1413 6.1413 7.4075 7.4075 7.4750 7.4750 8.0238 8.0238 8.0579 8.0579 9.1270 9.1270 10.6471 10.6471 12.0559 12.0559 13.0715 13.0716 k = 0.0000 0.0000 0.1085 ( 2891 PWs) bands (ev): -31.2474 -31.2474 -31.1736 -31.1736 -12.6702 -12.6702 -12.4457 -12.4457 -12.2419 -12.2419 -12.0915 -12.0915 -12.0556 -12.0556 -11.9348 -11.9348 -5.1493 -5.1493 -4.2696 -4.2696 1.0199 1.0199 1.1088 1.1088 1.3520 1.3520 1.4349 1.4349 1.5135 1.5135 3.6920 3.6920 6.1412 6.1412 7.3625 7.3625 7.4597 7.4597 7.9976 7.9976 8.0368 8.0368 9.1496 9.1496 10.6834 10.6834 12.0811 12.0811 13.0705 13.0705 k = 0.0000 0.0000 0.1302 ( 2887 PWs) bands (ev): -31.2469 -31.2469 -31.1736 -31.1736 -12.6700 -12.6700 -12.4483 -12.4483 -12.2417 -12.2417 -12.0949 -12.0949 -12.0543 -12.0543 -11.9368 -11.9368 -5.1419 -5.1419 -4.2639 -4.2639 1.0214 1.0214 1.1092 1.1092 1.3523 1.3523 1.4348 1.4348 1.5129 1.5129 3.7006 3.7006 6.1410 6.1410 7.3096 7.3096 7.4420 7.4420 7.9655 7.9655 8.0127 8.0127 9.1747 9.1747 10.7268 10.7268 12.1113 12.1113 13.0688 13.0693 k = 0.0000 0.0000 0.1519 ( 2887 PWs) bands (ev): -31.2464 -31.2464 -31.1736 -31.1736 -12.6698 -12.6698 -12.4514 -12.4514 -12.2414 -12.2414 -12.0985 -12.0985 -12.0531 -12.0531 -11.9392 -11.9392 -5.1333 -5.1333 -4.2572 -4.2572 1.0233 1.0233 1.1096 1.1096 1.3526 1.3526 1.4346 1.4346 1.5122 1.5122 3.7108 3.7108 6.1408 6.1408 7.2504 7.2504 7.4217 7.4217 7.9282 7.9282 7.9859 7.9859 9.2013 9.2013 10.7768 10.7768 12.1461 12.1461 13.0567 13.0567 k = 0.0000 0.0000 0.1736 ( 2889 PWs) bands (ev): -31.2457 -31.2457 -31.1736 -31.1736 -12.6696 -12.6696 -12.4548 -12.4548 -12.2412 -12.2412 -12.1025 -12.1025 -12.0520 -12.0520 -11.9419 -11.9419 -5.1236 -5.1236 -4.2496 -4.2496 1.0254 1.0254 1.1101 1.1101 1.3529 1.3529 1.4344 1.4344 1.5114 1.5114 3.7225 3.7225 6.1405 6.1405 7.1862 7.1862 7.3989 7.3989 7.8862 7.8862 7.9570 7.9570 9.2284 9.2284 10.8329 10.8329 12.1853 12.1853 13.0374 13.0374 k = 0.0000 0.0000 0.1953 ( 2895 PWs) bands (ev): -31.2450 -31.2450 -31.1737 -31.1737 -12.6694 -12.6694 -12.4585 -12.4585 -12.2410 -12.2410 -12.1067 -12.1067 -12.0511 -12.0511 -11.9448 -11.9448 -5.1127 -5.1127 -4.2413 -4.2413 1.0277 1.0277 1.1107 1.1107 1.3534 1.3534 1.4341 1.4341 1.5105 1.5105 3.7358 3.7358 6.1402 6.1402 7.1179 7.1179 7.3739 7.3739 7.8402 7.8402 7.9261 7.9261 9.2553 9.2553 10.8946 10.8946 12.2284 12.2284 13.0156 13.0156 k = 0.0000 0.0000 0.2170 ( 2899 PWs) bands (ev): -31.2441 -31.2441 -31.1737 -31.1737 -12.6691 -12.6691 -12.4625 -12.4625 -12.2409 -12.2409 -12.1110 -12.1110 -12.0503 -12.0503 -11.9481 -11.9481 -5.1009 -5.1009 -4.2321 -4.2321 1.0302 1.0302 1.1113 1.1113 1.3539 1.3539 1.4338 1.4338 1.5095 1.5095 3.7506 3.7506 6.1399 6.1399 7.0466 7.0466 7.3467 7.3467 7.7910 7.7910 7.8936 7.8936 9.2813 9.2813 10.9614 10.9614 12.2749 12.2749 12.9917 12.9917 k = 0.0000 0.0000 0.2387 ( 2905 PWs) bands (ev): -31.2432 -31.2432 -31.1738 -31.1738 -12.6688 -12.6688 -12.4668 -12.4668 -12.2409 -12.2409 -12.1156 -12.1156 -12.0498 -12.0498 -11.9515 -11.9515 -5.0881 -5.0881 -4.2223 -4.2223 1.0329 1.0329 1.1119 1.1119 1.3546 1.3546 1.4336 1.4336 1.5084 1.5084 3.7669 3.7669 6.1396 6.1396 6.9731 6.9731 7.3176 7.3176 7.7391 7.7391 7.8598 7.8598 9.3060 9.3060 11.0326 11.0326 12.3241 12.3241 12.9661 12.9661 k = 0.0000 0.0000 0.2604 ( 2903 PWs) bands (ev): -31.2422 -31.2422 -31.1738 -31.1738 -12.6684 -12.6684 -12.4713 -12.4713 -12.2409 -12.2409 -12.1203 -12.1203 -12.0494 -12.0494 -11.9552 -11.9552 -5.0745 -5.0745 -4.2119 -4.2119 1.0357 1.0357 1.1126 1.1126 1.3555 1.3555 1.4333 1.4333 1.5074 1.5074 3.7847 3.7847 6.1392 6.1392 6.8982 6.8982 7.2867 7.2867 7.6853 7.6853 7.8250 7.8250 9.3291 9.3291 11.1079 11.1079 12.3753 12.3753 12.9392 12.9392 k = 0.0000 0.0000 0.2821 ( 2903 PWs) bands (ev): -31.2412 -31.2412 -31.1738 -31.1738 -12.6681 -12.6681 -12.4760 -12.4760 -12.2411 -12.2411 -12.1251 -12.1251 -12.0492 -12.0492 -11.9590 -11.9590 -5.0601 -5.0601 -4.2010 -4.2010 1.0387 1.0387 1.1133 1.1133 1.3565 1.3565 1.4330 1.4330 1.5063 1.5063 3.8040 3.8040 6.1388 6.1388 6.8226 6.8226 7.2543 7.2543 7.6302 7.6302 7.7896 7.7896 9.3502 9.3502 11.1865 11.1865 12.4275 12.4275 12.9111 12.9111 k = 0.0000 0.0000 0.3038 ( 2893 PWs) bands (ev): -31.2400 -31.2400 -31.1739 -31.1739 -12.6676 -12.6676 -12.4808 -12.4808 -12.2414 -12.2414 -12.1300 -12.1300 -12.0492 -12.0492 -11.9628 -11.9628 -5.0452 -5.0452 -4.1896 -4.1896 1.0419 1.0419 1.1140 1.1140 1.3577 1.3577 1.4327 1.4327 1.5052 1.5052 3.8247 3.8247 6.1383 6.1383 6.7470 6.7470 7.2205 7.2205 7.5743 7.5743 7.7537 7.7537 9.3693 9.3693 11.2678 11.2678 12.4797 12.4797 12.8825 12.8825 k = 0.0000 0.0000 0.3255 ( 2889 PWs) bands (ev): -31.2388 -31.2388 -31.1739 -31.1739 -12.6672 -12.6672 -12.4857 -12.4857 -12.2418 -12.2418 -12.1350 -12.1350 -12.0494 -12.0494 -11.9669 -11.9669 -5.0297 -5.0297 -4.1779 -4.1779 1.0451 1.0451 1.1147 1.1147 1.3591 1.3591 1.4324 1.4324 1.5041 1.5041 3.8468 3.8468 6.1377 6.1377 6.6718 6.6718 7.1856 7.1856 7.5183 7.5183 7.7177 7.7177 9.3863 9.3863 11.3514 11.3514 12.5304 12.5304 12.8536 12.8536 k = 0.0000 0.0000 0.3472 ( 2889 PWs) bands (ev): -31.2376 -31.2376 -31.1740 -31.1740 -12.6668 -12.6668 -12.4907 -12.4907 -12.2424 -12.2424 -12.1401 -12.1401 -12.0499 -12.0499 -11.9709 -11.9709 -5.0138 -5.0138 -4.1659 -4.1659 1.0483 1.0483 1.1154 1.1154 1.3607 1.3607 1.4320 1.4320 1.5029 1.5029 3.8703 3.8703 6.1370 6.1370 6.5974 6.5974 7.1496 7.1496 7.4628 7.4628 7.6817 7.6817 9.4014 9.4014 11.4362 11.4362 12.5777 12.5777 12.8252 12.8252 k = 0.0000 0.0000 0.3689 ( 2885 PWs) bands (ev): -31.2362 -31.2362 -31.1740 -31.1740 -12.6663 -12.6663 -12.4957 -12.4957 -12.2432 -12.2432 -12.1452 -12.1452 -12.0507 -12.0507 -11.9750 -11.9750 -4.9975 -4.9975 -4.1538 -4.1538 1.0516 1.0516 1.1161 1.1161 1.3625 1.3625 1.4316 1.4316 1.5019 1.5019 3.8952 3.8952 6.1362 6.1362 6.5245 6.5245 7.1129 7.1129 7.4081 7.4081 7.6460 7.6460 9.4145 9.4145 11.5216 11.5216 12.6195 12.6195 12.7979 12.7979 k = 0.0000 0.0000 0.3906 ( 2889 PWs) bands (ev): -31.2349 -31.2349 -31.1741 -31.1741 -12.6659 -12.6659 -12.5008 -12.5008 -12.2442 -12.2442 -12.1504 -12.1504 -12.0517 -12.0517 -11.9792 -11.9792 -4.9811 -4.9811 -4.1417 -4.1417 1.0548 1.0548 1.1168 1.1168 1.3646 1.3646 1.4312 1.4312 1.5008 1.5008 3.9214 3.9214 6.1352 6.1352 6.4533 6.4533 7.0755 7.0755 7.3550 7.3550 7.6106 7.6106 9.4258 9.4258 11.6063 11.6063 12.6532 12.6532 12.7728 12.7728 k = 0.0000 0.0000 0.4123 ( 2889 PWs) bands (ev): -31.2334 -31.2334 -31.1741 -31.1741 -12.6653 -12.6653 -12.5059 -12.5059 -12.2453 -12.2453 -12.1555 -12.1555 -12.0530 -12.0530 -11.9833 -11.9833 -4.9646 -4.9646 -4.1296 -4.1296 1.0580 1.0580 1.1174 1.1174 1.3670 1.3670 1.4307 1.4307 1.4999 1.4999 3.9489 3.9489 6.1340 6.1340 6.3842 6.3842 7.0376 7.0376 7.3037 7.3037 7.5758 7.5758 9.4355 9.4355 11.6889 11.6889 12.6763 12.6763 12.7512 12.7513 k = 0.0000 0.0000 0.4340 ( 2887 PWs) bands (ev): -31.2319 -31.2319 -31.1742 -31.1742 -12.6648 -12.6648 -12.5110 -12.5110 -12.2467 -12.2467 -12.1606 -12.1606 -12.0545 -12.0545 -11.9874 -11.9874 -4.9481 -4.9481 -4.1176 -4.1176 1.0611 1.0611 1.1180 1.1180 1.3696 1.3696 1.4301 1.4301 1.4991 1.4991 3.9776 3.9776 6.1325 6.1325 6.3176 6.3176 6.9993 6.9993 7.2548 7.2548 7.5416 7.5416 9.4437 9.4437 11.7675 11.7675 12.6868 12.6868 12.7350 12.7350 k = 0.0000 0.0000 0.4557 ( 2894 PWs) bands (ev): -31.2304 -31.2304 -31.1743 -31.1743 -12.6643 -12.6643 -12.5160 -12.5160 -12.2483 -12.2483 -12.1656 -12.1656 -12.0564 -12.0564 -11.9914 -11.9914 -4.9317 -4.9317 -4.1059 -4.1059 1.0641 1.0641 1.1185 1.1185 1.3726 1.3726 1.4295 1.4295 1.4983 1.4983 4.0076 4.0076 6.1308 6.1308 6.2537 6.2537 6.9608 6.9608 7.2086 7.2086 7.5082 7.5082 9.4507 9.4507 11.8396 11.8396 12.6838 12.6838 12.7262 12.7262 k = 0.0000 0.0000 0.4773 ( 2882 PWs) bands (ev): -31.2288 -31.2288 -31.1743 -31.1743 -12.6637 -12.6637 -12.5210 -12.5210 -12.2500 -12.2500 -12.1704 -12.1704 -12.0584 -12.0584 -11.9952 -11.9952 -4.9156 -4.9156 -4.0946 -4.0946 1.0671 1.0671 1.1190 1.1190 1.3759 1.3759 1.4288 1.4288 1.4978 1.4978 4.0387 4.0387 6.1287 6.1287 6.1930 6.1930 6.9222 6.9222 7.1655 7.1655 7.4757 7.4757 9.4567 9.4567 11.9026 11.9026 12.6679 12.6679 12.7281 12.7281 k = 0.0000 0.0000 0.4990 ( 2882 PWs) bands (ev): -31.2272 -31.2272 -31.1744 -31.1744 -12.6631 -12.6631 -12.5258 -12.5258 -12.2520 -12.2520 -12.1752 -12.1752 -12.0608 -12.0608 -11.9990 -11.9990 -4.8998 -4.8998 -4.0837 -4.0837 1.0698 1.0698 1.1194 1.1194 1.3795 1.3795 1.4280 1.4280 1.4975 1.4975 4.0710 4.0710 6.1248 6.1248 6.1370 6.1370 6.8836 6.8836 7.1257 7.1257 7.4441 7.4441 9.4619 9.4619 11.9532 11.9532 12.6407 12.6407 12.7433 12.7433 k = 0.0000 0.0000 0.5207 ( 2882 PWs) bands (ev): -31.2255 -31.2255 -31.1745 -31.1745 -12.6624 -12.6624 -12.5306 -12.5306 -12.2543 -12.2543 -12.1797 -12.1797 -12.0634 -12.0634 -12.0027 -12.0027 -4.8844 -4.8844 -4.0733 -4.0733 1.0724 1.0724 1.1198 1.1198 1.3833 1.3833 1.4271 1.4271 1.4974 1.4974 4.1043 4.1043 6.0803 6.0803 6.1248 6.1248 6.8452 6.8452 7.0896 7.0896 7.4134 7.4134 9.4664 9.4664 11.9890 11.9890 12.6045 12.6045 12.7742 12.7742 k = 0.0000 0.0000 0.5424 ( 2878 PWs) bands (ev): -31.2238 -31.2238 -31.1746 -31.1746 -12.6617 -12.6617 -12.5352 -12.5352 -12.2567 -12.2567 -12.1841 -12.1841 -12.0663 -12.0663 -12.0063 -12.0063 -4.8696 -4.8696 -4.0635 -4.0635 1.0748 1.0748 1.1200 1.1200 1.3875 1.3875 1.4262 1.4262 1.4975 1.4975 4.1387 4.1387 6.0300 6.0300 6.1219 6.1219 6.8069 6.8069 7.0572 7.0572 7.3838 7.3838 9.4704 9.4704 12.0094 12.0094 12.5614 12.5614 12.8215 12.8215 k = 0.0000 0.0000 0.5641 ( 2880 PWs) bands (ev): -31.2221 -31.2221 -31.1746 -31.1746 -12.6610 -12.6610 -12.5397 -12.5397 -12.2594 -12.2594 -12.1882 -12.1882 -12.0694 -12.0694 -12.0097 -12.0097 -4.8554 -4.8554 -4.0544 -4.0544 1.0770 1.0770 1.1202 1.1202 1.3919 1.3919 1.4251 1.4251 1.4978 1.4978 4.1740 4.1740 5.9833 5.9833 6.1189 6.1189 6.7690 6.7690 7.0287 7.0287 7.3552 7.3552 9.4741 9.4741 12.0154 12.0154 12.5134 12.5134 12.8839 12.8839 k = 0.0000 0.0000 0.5858 ( 2880 PWs) bands (ev): -31.2204 -31.2204 -31.1747 -31.1747 -12.6603 -12.6603 -12.5441 -12.5441 -12.2623 -12.2623 -12.1921 -12.1921 -12.0727 -12.0727 -12.0131 -12.0131 -4.8418 -4.8418 -4.0461 -4.0461 1.0790 1.0790 1.1202 1.1202 1.3965 1.3965 1.4239 1.4239 1.4985 1.4985 4.2103 4.2103 5.9406 5.9406 6.1159 6.1159 6.7314 6.7314 7.0042 7.0042 7.3277 7.3277 9.4776 9.4776 12.0096 12.0096 12.4620 12.4620 12.9589 12.9589 k = 0.0000 0.0000 0.6075 ( 2876 PWs) bands (ev): -31.2186 -31.2186 -31.1748 -31.1748 -12.6594 -12.6594 -12.5483 -12.5483 -12.2655 -12.2655 -12.1957 -12.1957 -12.0762 -12.0762 -12.0164 -12.0164 -4.8290 -4.8290 -4.0386 -4.0386 1.0809 1.0809 1.1202 1.1202 1.4012 1.4012 1.4228 1.4228 1.4994 1.4994 4.2474 4.2474 5.9019 5.9019 6.1130 6.1130 6.6942 6.6942 6.9836 6.9836 7.3013 7.3013 9.4811 9.4811 11.9948 11.9948 12.4084 12.4084 13.0161 13.0161 k = 0.0000 0.0000 0.6292 ( 2878 PWs) bands (ev): -31.2169 -31.2169 -31.1749 -31.1749 -12.6586 -12.6586 -12.5523 -12.5523 -12.2688 -12.2688 -12.1991 -12.1991 -12.0798 -12.0798 -12.0196 -12.0196 -4.8169 -4.8169 -4.0320 -4.0320 1.0825 1.0825 1.1201 1.1201 1.4057 1.4057 1.4220 1.4220 1.5005 1.5005 4.2853 4.2853 5.8673 5.8673 6.1102 6.1102 6.6576 6.6576 6.9670 6.9670 7.2760 7.2760 9.4845 9.4845 11.9732 11.9732 12.3535 12.3535 12.9451 12.9451 k = 0.0000 0.0000 0.6509 ( 2880 PWs) bands (ev): -31.2151 -31.2151 -31.1750 -31.1750 -12.6577 -12.6577 -12.5561 -12.5561 -12.2722 -12.2722 -12.2022 -12.2022 -12.0836 -12.0836 -12.0228 -12.0228 -4.8058 -4.8058 -4.0263 -4.0263 1.0840 1.0840 1.1199 1.1199 1.4096 1.4096 1.4218 1.4218 1.5020 1.5020 4.3240 4.3240 5.8369 5.8369 6.1077 6.1077 6.6216 6.6216 6.9543 6.9543 7.2519 7.2519 9.4881 9.4881 11.9469 11.9469 12.2981 12.2981 12.8665 12.8665 k = 0.0000 0.0000 0.6726 ( 2868 PWs) bands (ev): -31.2133 -31.2133 -31.1751 -31.1751 -12.6567 -12.6567 -12.5598 -12.5598 -12.2757 -12.2757 -12.2051 -12.2051 -12.0873 -12.0873 -12.0259 -12.0259 -4.7955 -4.7955 -4.0216 -4.0216 1.0852 1.0852 1.1197 1.1197 1.4116 1.4116 1.4236 1.4236 1.5037 1.5037 4.3635 4.3635 5.8106 5.8106 6.1057 6.1057 6.5862 6.5862 6.9452 6.9452 7.2289 7.2289 9.4918 9.4918 11.9173 11.9173 12.2426 12.2426 12.7828 12.7828 k = 0.0000 0.0000 0.6943 ( 2868 PWs) bands (ev): -31.2115 -31.2115 -31.1752 -31.1752 -12.6557 -12.6557 -12.5633 -12.5633 -12.2794 -12.2794 -12.2078 -12.2078 -12.0912 -12.0912 -12.0290 -12.0290 -4.7861 -4.7861 -4.0178 -4.0178 1.0863 1.0863 1.1194 1.1194 1.4115 1.4115 1.4274 1.4274 1.5056 1.5056 4.4036 4.4036 5.7886 5.7886 6.1044 6.1044 6.5515 6.5515 6.9396 6.9396 7.2069 7.2069 9.4956 9.4956 11.8854 11.8854 12.1876 12.1876 12.6960 12.6960 k = 0.0000 0.0000 0.7160 ( 2868 PWs) bands (ev): -31.2097 -31.2097 -31.1753 -31.1753 -12.6546 -12.6546 -12.5665 -12.5665 -12.2830 -12.2830 -12.2103 -12.2103 -12.0951 -12.0951 -12.0321 -12.0321 -4.7777 -4.7777 -4.0150 -4.0150 1.0872 1.0872 1.1190 1.1190 1.4103 1.4103 1.4324 1.4324 1.5078 1.5078 4.4443 4.4443 5.7707 5.7707 6.1038 6.1038 6.5175 6.5175 6.9373 6.9373 7.1861 7.1861 9.4995 9.4995 11.8520 11.8520 12.1332 12.1332 12.6078 12.6078 k = 0.0000 0.0000 0.7377 ( 2864 PWs) bands (ev): -31.2080 -31.2080 -31.1754 -31.1754 -12.6535 -12.6535 -12.5696 -12.5696 -12.2867 -12.2867 -12.2126 -12.2126 -12.0990 -12.0990 -12.0352 -12.0352 -4.7702 -4.7702 -4.0132 -4.0132 1.0880 1.0880 1.1185 1.1185 1.4086 1.4086 1.4377 1.4377 1.5101 1.5101 4.4856 4.4856 5.7567 5.7567 6.1041 6.1041 6.4843 6.4843 6.9381 6.9381 7.1664 7.1664 9.5036 9.5036 11.8178 11.8178 12.0799 12.0799 12.5194 12.5194 k = 0.0000 0.0000 0.7594 ( 2864 PWs) bands (ev): -31.2062 -31.2062 -31.1755 -31.1755 -12.6524 -12.6524 -12.5725 -12.5725 -12.2903 -12.2903 -12.2148 -12.2148 -12.1029 -12.1029 -12.0383 -12.0383 -4.7637 -4.7637 -4.0124 -4.0124 1.0886 1.0886 1.1180 1.1180 1.4067 1.4067 1.4432 1.4432 1.5126 1.5126 4.5275 4.5275 5.7467 5.7467 6.1055 6.1055 6.4519 6.4519 6.9418 6.9418 7.1477 7.1477 9.5076 9.5076 11.7831 11.7831 12.0277 12.0277 12.4318 12.4318 k = 0.0000 0.0000 0.7811 ( 2864 PWs) bands (ev): -31.2045 -31.2045 -31.1755 -31.1755 -12.6512 -12.6512 -12.5753 -12.5753 -12.2938 -12.2938 -12.2170 -12.2170 -12.1067 -12.1067 -12.0414 -12.0414 -4.7581 -4.7581 -4.0126 -4.0126 1.0892 1.0892 1.1175 1.1175 1.4047 1.4047 1.4487 1.4487 1.5153 1.5153 4.5700 4.5700 5.7404 5.7404 6.1080 6.1080 6.4203 6.4203 6.9481 6.9481 7.1301 7.1301 9.5115 9.5115 11.7484 11.7484 11.9770 11.9770 12.3458 12.3458 k = 0.0000 0.0000 0.8028 ( 2868 PWs) bands (ev): -31.2028 -31.2028 -31.1756 -31.1756 -12.6499 -12.6499 -12.5778 -12.5778 -12.2972 -12.2972 -12.2190 -12.2190 -12.1105 -12.1105 -12.0445 -12.0445 -4.7535 -4.7535 -4.0137 -4.0137 1.0895 1.0895 1.1169 1.1169 1.4026 1.4026 1.4541 1.4541 1.5181 1.5181 4.6129 4.6129 5.7376 5.7376 6.1118 6.1118 6.3897 6.3897 6.9567 6.9567 7.1136 7.1136 9.5151 9.5151 11.7138 11.7138 11.9277 11.9277 12.2621 12.2621 k = 0.0000 0.0000 0.8245 ( 2868 PWs) bands (ev): -31.2011 -31.2011 -31.1757 -31.1757 -12.6486 -12.6486 -12.5802 -12.5802 -12.3005 -12.3005 -12.2210 -12.2210 -12.1141 -12.1141 -12.0477 -12.0477 -4.7497 -4.7497 -4.0157 -4.0157 1.0899 1.0899 1.1163 1.1163 1.4005 1.4005 1.4595 1.4595 1.5209 1.5209 4.6563 4.6563 5.7381 5.7381 6.1167 6.1167 6.3600 6.3600 6.9675 6.9675 7.0980 7.0980 9.5184 9.5184 11.6796 11.6796 11.8801 11.8801 12.1813 12.1813 k = 0.0000 0.0000 0.8462 ( 2870 PWs) bands (ev): -31.1995 -31.1995 -31.1758 -31.1758 -12.6473 -12.6473 -12.5824 -12.5824 -12.3036 -12.3036 -12.2229 -12.2229 -12.1176 -12.1176 -12.0509 -12.0509 -4.7468 -4.7468 -4.0185 -4.0185 1.0901 1.0901 1.1156 1.1156 1.3984 1.3984 1.4647 1.4647 1.5239 1.5239 4.7002 4.7002 5.7417 5.7417 6.1230 6.1230 6.3312 6.3312 6.9803 6.9803 7.0834 7.0834 9.5211 9.5211 11.6461 11.6461 11.8342 11.8342 12.1040 12.1040 k = 0.0000 0.0000 0.8679 ( 2866 PWs) bands (ev): -31.1979 -31.1979 -31.1759 -31.1759 -12.6459 -12.6459 -12.5844 -12.5844 -12.3064 -12.3064 -12.2249 -12.2249 -12.1209 -12.1209 -12.0541 -12.0541 -4.7447 -4.7447 -4.0221 -4.0221 1.0902 1.0902 1.1150 1.1150 1.3963 1.3963 1.4697 1.4697 1.5269 1.5269 4.7444 4.7444 5.7479 5.7479 6.1304 6.1304 6.3034 6.3034 6.9947 6.9947 7.0697 7.0697 9.5231 9.5231 11.6132 11.6132 11.7902 11.7902 12.0305 12.0305 k = 0.0000 0.0000 0.8896 ( 2870 PWs) bands (ev): -31.1963 -31.1963 -31.1760 -31.1760 -12.6445 -12.6445 -12.5862 -12.5862 -12.3091 -12.3091 -12.2269 -12.2269 -12.1240 -12.1240 -12.0573 -12.0573 -4.7434 -4.7434 -4.0264 -4.0264 1.0903 1.0903 1.1143 1.1143 1.3942 1.3942 1.4746 1.4746 1.5300 1.5300 4.7890 4.7890 5.7566 5.7566 6.1390 6.1390 6.2767 6.2767 7.0106 7.0106 7.0571 7.0571 9.5242 9.5242 11.5812 11.5812 11.7479 11.7479 11.9614 11.9614 k = 0.0000 0.0000 0.9113 ( 2874 PWs) bands (ev): -31.1948 -31.1948 -31.1761 -31.1761 -12.6431 -12.6431 -12.5880 -12.5880 -12.3115 -12.3115 -12.2290 -12.2290 -12.1269 -12.1269 -12.0606 -12.0606 -4.7428 -4.7428 -4.0313 -4.0313 1.0904 1.0904 1.1137 1.1137 1.3921 1.3921 1.4792 1.4792 1.5330 1.5330 4.8340 4.8340 5.7673 5.7673 6.1486 6.1486 6.2510 6.2510 7.0276 7.0276 7.0455 7.0455 9.5242 9.5242 11.5502 11.5502 11.7076 11.7076 11.8969 11.8969 k = 0.0000 0.0000 0.9330 ( 2872 PWs) bands (ev): -31.1933 -31.1933 -31.1762 -31.1762 -12.6417 -12.6417 -12.5896 -12.5896 -12.3136 -12.3136 -12.2312 -12.2312 -12.1296 -12.1296 -12.0639 -12.0639 -4.7428 -4.7428 -4.0368 -4.0368 1.0904 1.0904 1.1130 1.1130 1.3901 1.3901 1.4836 1.4836 1.5361 1.5361 4.8792 4.8792 5.7797 5.7797 6.1592 6.1592 6.2265 6.2265 7.0331 7.0331 7.0473 7.0473 9.5229 9.5229 11.5203 11.5203 11.6692 11.6692 11.8375 11.8375 k = 0.0000 0.0000 0.9547 ( 2876 PWs) bands (ev): -31.1919 -31.1919 -31.1763 -31.1763 -12.6402 -12.6402 -12.5910 -12.5910 -12.3154 -12.3154 -12.2334 -12.2334 -12.1320 -12.1320 -12.0672 -12.0672 -4.7434 -4.7434 -4.0427 -4.0427 1.0903 1.0903 1.1123 1.1123 1.3882 1.3882 1.4877 1.4877 1.5390 1.5390 4.9245 4.9245 5.7935 5.7935 6.1703 6.1703 6.2034 6.2034 7.0234 7.0234 7.0660 7.0660 9.5201 9.5201 11.4916 11.4916 11.6328 11.6328 11.7834 11.7834 k = 0.0000 0.0000 0.9764 ( 2876 PWs) bands (ev): -31.1905 -31.1905 -31.1764 -31.1764 -12.6387 -12.6387 -12.5924 -12.5924 -12.3168 -12.3168 -12.2358 -12.2358 -12.1341 -12.1341 -12.0705 -12.0705 -4.7445 -4.7445 -4.0491 -4.0491 1.0903 1.0903 1.1117 1.1117 1.3864 1.3864 1.4915 1.4915 1.5420 1.5420 4.9699 4.9699 5.8082 5.8082 6.1763 6.1763 6.1872 6.1872 7.0141 7.0141 7.0859 7.0859 9.5158 9.5158 11.4640 11.4640 11.5984 11.5984 11.7347 11.7347 k = 0.0000 0.0000 0.9981 ( 2876 PWs) bands (ev): -31.1892 -31.1892 -31.1765 -31.1765 -12.6372 -12.6372 -12.5937 -12.5937 -12.3180 -12.3180 -12.2384 -12.2384 -12.1359 -12.1359 -12.0739 -12.0739 -4.7460 -4.7460 -4.0557 -4.0557 1.0902 1.0902 1.1111 1.1111 1.3846 1.3846 1.4951 1.4951 1.5449 1.5449 5.0153 5.0153 5.8234 5.8234 6.1581 6.1581 6.1969 6.1969 7.0054 7.0054 7.1062 7.1062 9.5100 9.5100 11.4378 11.4378 11.5659 11.5659 11.6916 11.6916 k = 0.0000 0.0000 1.0198 ( 2884 PWs) bands (ev): -31.1880 -31.1880 -31.1765 -31.1765 -12.6357 -12.6357 -12.5950 -12.5950 -12.3189 -12.3189 -12.2411 -12.2411 -12.1374 -12.1374 -12.0773 -12.0773 -4.7480 -4.7480 -4.0625 -4.0625 1.0901 1.0901 1.1104 1.1104 1.3829 1.3829 1.4983 1.4983 1.5478 1.5478 5.0604 5.0604 5.8389 5.8389 6.1383 6.1383 6.2097 6.2097 6.9974 6.9974 7.1269 7.1269 9.5026 9.5026 11.4129 11.4129 11.5355 11.5355 11.6540 11.6540 k = 0.0000 0.0000 1.0415 ( 2884 PWs) bands (ev): -31.1868 -31.1868 -31.1766 -31.1766 -12.6341 -12.6341 -12.5961 -12.5961 -12.3194 -12.3194 -12.2439 -12.2439 -12.1385 -12.1385 -12.0806 -12.0806 -4.7502 -4.7502 -4.0695 -4.0695 1.0900 1.0900 1.1099 1.1099 1.3814 1.3814 1.5013 1.5013 1.5506 1.5506 5.1052 5.1052 5.8542 5.8542 6.1194 6.1194 6.2229 6.2229 6.9902 6.9902 7.1476 7.1476 9.4937 9.4937 11.3895 11.3895 11.5071 11.5071 11.6219 11.6219 k = 0.0000 0.0000 1.0632 ( 2892 PWs) bands (ev): -31.1857 -31.1857 -31.1767 -31.1767 -12.6326 -12.6326 -12.5973 -12.5973 -12.3196 -12.3196 -12.2470 -12.2470 -12.1393 -12.1393 -12.0840 -12.0840 -4.7527 -4.7527 -4.0764 -4.0764 1.0898 1.0898 1.1093 1.1093 1.3799 1.3799 1.5040 1.5040 1.5532 1.5532 5.1494 5.1494 5.8691 5.8691 6.1017 6.1017 6.2362 6.2362 6.9835 6.9835 7.1682 7.1682 9.4833 9.4833 11.3674 11.3674 11.4807 11.4807 11.5951 11.5951 k = 0.0000 0.0000 1.0849 ( 2896 PWs) bands (ev): -31.1846 -31.1846 -31.1768 -31.1768 -12.6311 -12.6311 -12.5984 -12.5984 -12.3194 -12.3194 -12.2502 -12.2502 -12.1398 -12.1398 -12.0874 -12.0874 -4.7552 -4.7552 -4.0832 -4.0832 1.0897 1.0897 1.1087 1.1087 1.3785 1.3785 1.5065 1.5065 1.5558 1.5558 5.1927 5.1927 5.8831 5.8831 6.0852 6.0852 6.2494 6.2494 6.9775 6.9775 7.1884 7.1884 9.4719 9.4719 11.3469 11.3469 11.4563 11.4563 11.5732 11.5732 k = 0.0000 0.0000 1.1066 ( 2896 PWs) bands (ev): -31.1836 -31.1836 -31.1768 -31.1768 -12.6296 -12.6296 -12.5994 -12.5994 -12.3190 -12.3190 -12.2534 -12.2534 -12.1400 -12.1400 -12.0907 -12.0907 -4.7579 -4.7579 -4.0899 -4.0899 1.0895 1.0895 1.1083 1.1083 1.3772 1.3772 1.5087 1.5087 1.5582 1.5582 5.2350 5.2350 5.8961 5.8961 6.0700 6.0700 6.2622 6.2622 6.9721 6.9721 7.2080 7.2080 9.4596 9.4596 11.3279 11.3279 11.4339 11.4339 11.5561 11.5561 k = 0.0000 0.0000 1.1283 ( 2900 PWs) bands (ev): -31.1828 -31.1828 -31.1769 -31.1769 -12.6281 -12.6281 -12.6004 -12.6004 -12.3182 -12.3182 -12.2569 -12.2569 -12.1398 -12.1398 -12.0941 -12.0941 -4.7606 -4.7606 -4.0963 -4.0963 1.0894 1.0894 1.1078 1.1078 1.3760 1.3760 1.5107 1.5107 1.5605 1.5605 5.2759 5.2759 5.9077 5.9077 6.0560 6.0560 6.2746 6.2746 6.9672 6.9672 7.2268 7.2268 9.4466 9.4466 11.3104 11.3104 11.4134 11.4134 11.5430 11.5430 k = 0.0000 0.0000 1.1500 ( 2902 PWs) bands (ev): -31.1819 -31.1819 -31.1770 -31.1770 -12.6265 -12.6265 -12.6015 -12.6015 -12.3170 -12.3170 -12.2604 -12.2604 -12.1394 -12.1394 -12.0974 -12.0974 -4.7632 -4.7632 -4.1023 -4.1023 1.0892 1.0892 1.1074 1.1074 1.3750 1.3750 1.5124 1.5124 1.5626 1.5626 5.3151 5.3151 5.9179 5.9179 6.0433 6.0433 6.2864 6.2864 6.9629 6.9629 7.2446 7.2446 9.4335 9.4335 11.2945 11.2945 11.3950 11.3950 11.5336 11.5336 k = 0.0000 0.0000 1.1717 ( 2902 PWs) bands (ev): -31.1812 -31.1812 -31.1770 -31.1770 -12.6250 -12.6250 -12.6025 -12.6025 -12.3156 -12.3156 -12.2640 -12.2640 -12.1386 -12.1386 -12.1006 -12.1006 -4.7657 -4.7657 -4.1080 -4.1080 1.0891 1.0891 1.1070 1.1070 1.3740 1.3740 1.5139 1.5139 1.5646 1.5646 5.3521 5.3521 5.9264 5.9264 6.0319 6.0319 6.2973 6.2973 6.9591 6.9591 7.2612 7.2612 9.4205 9.4205 11.2803 11.2803 11.3785 11.3785 11.5273 11.5273 k = 0.0000 0.0000 1.1934 ( 2898 PWs) bands (ev): -31.1805 -31.1805 -31.1770 -31.1770 -12.6236 -12.6236 -12.6036 -12.6036 -12.3139 -12.3139 -12.2676 -12.2676 -12.1375 -12.1375 -12.1038 -12.1038 -4.7681 -4.7681 -4.1131 -4.1131 1.0889 1.0889 1.1067 1.1067 1.3732 1.3732 1.5152 1.5152 1.5664 1.5664 5.3866 5.3866 5.9334 5.9334 6.0218 6.0218 6.3073 6.3073 6.9558 6.9558 7.2763 7.2763 9.4080 9.4080 11.2677 11.2677 11.3640 11.3640 11.5235 11.5235 k = 0.0000 0.0000 1.2151 ( 2894 PWs) bands (ev): -31.1800 -31.1800 -31.1771 -31.1771 -12.6221 -12.6221 -12.6046 -12.6046 -12.3120 -12.3120 -12.2713 -12.2713 -12.1362 -12.1362 -12.1069 -12.1069 -4.7703 -4.7703 -4.1177 -4.1177 1.0888 1.0888 1.1065 1.1065 1.3725 1.3725 1.5163 1.5163 1.5680 1.5680 5.4181 5.4181 5.9387 5.9387 6.0130 6.0130 6.3162 6.3162 6.9530 6.9530 7.2899 7.2899 9.3964 9.3964 11.2567 11.2567 11.3515 11.3515 11.5216 11.5216 k = 0.0000 0.0000 1.2368 ( 2890 PWs) bands (ev): -31.1795 -31.1795 -31.1771 -31.1771 -12.6207 -12.6207 -12.6056 -12.6056 -12.3097 -12.3097 -12.2749 -12.2749 -12.1347 -12.1347 -12.1100 -12.1100 -4.7722 -4.7722 -4.1217 -4.1217 1.0887 1.0887 1.1062 1.1062 1.3719 1.3719 1.5172 1.5172 1.5694 1.5694 5.4461 5.4461 5.9426 5.9426 6.0056 6.0056 6.3240 6.3240 6.9507 6.9507 7.3016 7.3016 9.3860 9.3860 11.2474 11.2474 11.3409 11.3409 11.5211 11.5211 k = 0.0000 0.0000 1.2585 ( 2882 PWs) bands (ev): -31.1791 -31.1791 -31.1771 -31.1771 -12.6194 -12.6194 -12.6066 -12.6066 -12.3073 -12.3073 -12.2784 -12.2784 -12.1330 -12.1330 -12.1130 -12.1130 -4.7738 -4.7738 -4.1250 -4.1250 1.0887 1.0887 1.1061 1.1061 1.3714 1.3714 1.5179 1.5179 1.5705 1.5705 5.4700 5.4700 5.9452 5.9452 5.9995 5.9995 6.3304 6.3304 6.9488 6.9488 7.3115 7.3115 9.3770 9.3770 11.2398 11.2398 11.3322 11.3322 11.5215 11.5215 k = 0.0000 0.0000 1.2802 ( 2890 PWs) bands (ev): -31.1788 -31.1788 -31.1772 -31.1772 -12.6182 -12.6182 -12.6076 -12.6076 -12.3049 -12.3049 -12.2819 -12.2819 -12.1310 -12.1310 -12.1160 -12.1160 -4.7750 -4.7750 -4.1277 -4.1277 1.0885 1.0885 1.1059 1.1059 1.3710 1.3710 1.5185 1.5185 1.5714 1.5714 5.4894 5.4894 5.9468 5.9468 5.9947 5.9947 6.3355 6.3355 6.9473 6.9473 7.3193 7.3193 9.3698 9.3698 11.2338 11.2338 11.3255 11.3255 11.5222 11.5222 k = 0.0000 0.0000 1.3019 ( 2890 PWs) bands (ev): -31.1785 -31.1785 -31.1772 -31.1772 -12.6172 -12.6172 -12.6085 -12.6085 -12.3024 -12.3024 -12.2850 -12.2850 -12.1289 -12.1289 -12.1188 -12.1188 -4.7760 -4.7760 -4.1296 -4.1296 1.0885 1.0885 1.1058 1.1058 1.3707 1.3707 1.5188 1.5188 1.5720 1.5720 5.5037 5.5037 5.9476 5.9476 5.9914 5.9914 6.3393 6.3393 6.9462 6.9462 7.3249 7.3249 9.3645 9.3645 11.2295 11.2295 11.3207 11.3207 11.5230 11.5230 k = 0.0000 0.0000 1.3236 ( 2890 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6165 -12.6165 -12.6091 -12.6091 -12.3004 -12.3004 -12.2875 -12.2875 -12.1266 -12.1266 -12.1215 -12.1215 -4.7766 -4.7766 -4.1307 -4.1307 1.0884 1.0884 1.1057 1.1057 1.3705 1.3705 1.5190 1.5190 1.5724 1.5724 5.5124 5.5124 5.9480 5.9480 5.9893 5.9893 6.3415 6.3415 6.9456 6.9456 7.3284 7.3284 9.3612 9.3612 11.2269 11.2269 11.3178 11.3178 11.5236 11.5236 k = 0.0000 0.0000 1.3453 ( 2890 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6162 -12.6162 -12.6093 -12.6093 -12.2995 -12.2995 -12.2885 -12.2885 -12.1246 -12.1246 -12.1237 -12.1237 -4.7767 -4.7767 -4.1311 -4.1311 1.0884 1.0884 1.1057 1.1057 1.3705 1.3705 1.5191 1.5191 1.5725 1.5725 5.5154 5.5154 5.9481 5.9481 5.9887 5.9887 6.3422 6.3422 6.9454 6.9454 7.3295 7.3295 9.3601 9.3601 11.2261 11.2261 11.3169 11.3169 11.5238 11.5238 k = 0.0000 0.0000 1.3453 ( 2890 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6162 -12.6162 -12.6093 -12.6093 -12.2995 -12.2995 -12.2885 -12.2885 -12.1246 -12.1246 -12.1237 -12.1237 -4.7767 -4.7767 -4.1311 -4.1311 1.0884 1.0884 1.1057 1.1057 1.3705 1.3705 1.5191 1.5191 1.5725 1.5725 5.5154 5.5154 5.9481 5.9481 5.9887 5.9887 6.3422 6.3422 6.9454 6.9454 7.3295 7.3295 9.3601 9.3601 11.2261 11.2261 11.3169 11.3169 11.5238 11.5238 k =-0.0080 0.0200 1.3453 ( 2884 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6163 -12.6163 -12.6092 -12.6092 -12.3005 -12.3005 -12.2873 -12.2873 -12.1265 -12.1265 -12.1216 -12.1216 -4.7764 -4.7764 -4.1309 -4.1309 1.0885 1.0885 1.1058 1.1058 1.3706 1.3706 1.5192 1.5192 1.5724 1.5724 5.5081 5.5081 5.9487 5.9487 5.9937 5.9937 6.3413 6.3413 6.9441 6.9441 7.3297 7.3297 9.3612 9.3612 11.2287 11.2287 11.2978 11.2978 11.5430 11.5430 k =-0.0160 0.0400 1.3453 ( 2884 PWs) bands (ev): -31.1784 -31.1784 -31.1774 -31.1774 -12.6166 -12.6166 -12.6090 -12.6090 -12.3028 -12.3028 -12.2846 -12.2846 -12.1287 -12.1287 -12.1190 -12.1190 -4.7755 -4.7755 -4.1302 -4.1302 1.0886 1.0886 1.1059 1.1059 1.3708 1.3708 1.5193 1.5193 1.5720 1.5720 5.4875 5.4875 5.9504 5.9504 6.0078 6.0078 6.3386 6.3386 6.9401 6.9401 7.3303 7.3303 9.3646 9.3646 11.2366 11.2366 11.2532 11.2532 11.5879 11.5879 k =-0.0240 0.0601 1.3453 ( 2888 PWs) bands (ev): -31.1783 -31.1783 -31.1776 -31.1776 -12.6171 -12.6171 -12.6087 -12.6087 -12.3055 -12.3055 -12.2812 -12.2812 -12.1308 -12.1308 -12.1163 -12.1163 -4.7739 -4.7739 -4.1290 -4.1290 1.0887 1.0887 1.1060 1.1060 1.3711 1.3711 1.5194 1.5194 1.5713 1.5713 5.4556 5.4556 5.9533 5.9533 6.0287 6.0287 6.3342 6.3342 6.9335 6.9335 7.3313 7.3313 9.3701 9.3701 11.1981 11.1981 11.2497 11.2497 11.6436 11.6436 k =-0.0321 0.0801 1.3453 ( 2888 PWs) bands (ev): -31.1783 -31.1783 -31.1779 -31.1779 -12.6176 -12.6176 -12.6084 -12.6084 -12.3083 -12.3083 -12.2775 -12.2775 -12.1327 -12.1327 -12.1136 -12.1136 -4.7717 -4.7717 -4.1273 -4.1273 1.0889 1.0889 1.1063 1.1063 1.3715 1.3715 1.5196 1.5196 1.5703 1.5703 5.4153 5.4153 5.9574 5.9574 6.0539 6.0539 6.3279 6.3279 6.9244 6.9244 7.3327 7.3327 9.3779 9.3779 11.1390 11.1390 11.2680 11.2680 11.7039 11.7039 k =-0.0401 0.1001 1.3453 ( 2886 PWs) bands (ev): -31.1783 -31.1783 -31.1783 -31.1783 -12.6183 -12.6183 -12.6079 -12.6079 -12.3109 -12.3109 -12.2736 -12.2736 -12.1344 -12.1344 -12.1107 -12.1107 -4.7689 -4.7689 -4.1253 -4.1253 1.0892 1.0892 1.1066 1.1066 1.3720 1.3720 1.5198 1.5198 1.5691 1.5691 5.3687 5.3687 5.9625 5.9625 6.0812 6.0812 6.3199 6.3199 6.9131 6.9131 7.3345 7.3345 9.3879 9.3879 11.0783 11.0783 11.2913 11.2913 11.7665 11.7665 k =-0.0401 0.1001 1.3453 ( 2886 PWs) bands (ev): -31.1783 -31.1783 -31.1783 -31.1783 -12.6183 -12.6183 -12.6079 -12.6079 -12.3109 -12.3109 -12.2736 -12.2736 -12.1344 -12.1344 -12.1107 -12.1107 -4.7689 -4.7689 -4.1253 -4.1253 1.0892 1.0892 1.1066 1.1066 1.3720 1.3720 1.5198 1.5198 1.5691 1.5691 5.3687 5.3687 5.9625 5.9625 6.0812 6.0812 6.3199 6.3199 6.9131 6.9131 7.3345 7.3345 9.3879 9.3879 11.0783 11.0783 11.2913 11.2913 11.7665 11.7665 k =-0.0457 0.1141 1.3302 ( 2888 PWs) bands (ev): -31.1786 -31.1786 -31.1783 -31.1783 -12.6189 -12.6189 -12.6076 -12.6076 -12.3127 -12.3127 -12.2707 -12.2707 -12.1356 -12.1356 -12.1085 -12.1085 -4.7666 -4.7666 -4.1234 -4.1234 1.0894 1.0894 1.1068 1.1068 1.3725 1.3725 1.5199 1.5199 1.5681 1.5681 5.3327 5.3327 5.9644 5.9644 6.1026 6.1026 6.3129 6.3129 6.9040 6.9040 7.3355 7.3355 9.3966 9.3966 11.0364 11.0364 11.3110 11.3110 11.8108 11.8108 k =-0.0513 0.1281 1.3151 ( 2885 PWs) bands (ev): -31.1790 -31.1790 -31.1783 -31.1783 -12.6197 -12.6197 -12.6072 -12.6072 -12.3144 -12.3144 -12.2675 -12.2675 -12.1367 -12.1367 -12.1061 -12.1061 -4.7638 -4.7638 -4.1210 -4.1210 1.0897 1.0897 1.1072 1.1072 1.3731 1.3731 1.5200 1.5200 1.5669 1.5669 5.2941 5.2941 5.9620 5.9620 6.1272 6.1272 6.3044 6.3044 6.8940 6.8940 7.3357 7.3357 9.4069 9.4069 10.9964 10.9964 11.3340 11.3340 11.8544 11.8544 k =-0.0569 0.1421 1.3000 ( 2885 PWs) bands (ev): -31.1794 -31.1794 -31.1784 -31.1784 -12.6205 -12.6205 -12.6068 -12.6068 -12.3161 -12.3161 -12.2641 -12.2641 -12.1378 -12.1378 -12.1035 -12.1035 -4.7605 -4.7605 -4.1181 -4.1181 1.0900 1.0900 1.1075 1.1075 1.3738 1.3738 1.5199 1.5199 1.5655 1.5655 5.2536 5.2536 5.9556 5.9556 6.1541 6.1541 6.2944 6.2944 6.8831 6.8831 7.3354 7.3354 9.4184 9.4184 10.9590 10.9590 11.3601 11.3601 11.8969 11.8969 k =-0.0625 0.1561 1.2849 ( 2888 PWs) bands (ev): -31.1798 -31.1798 -31.1785 -31.1785 -12.6215 -12.6215 -12.6064 -12.6064 -12.3176 -12.3176 -12.2607 -12.2607 -12.1387 -12.1387 -12.1007 -12.1007 -4.7569 -4.7569 -4.1146 -4.1146 1.0903 1.0903 1.1079 1.1079 1.3746 1.3746 1.5198 1.5198 1.5639 1.5639 5.2118 5.2118 5.9457 5.9457 6.1825 6.1825 6.2829 6.2829 6.8714 6.8714 7.3344 7.3344 9.4308 9.4308 10.9249 10.9249 11.3893 11.3893 11.9379 11.9379 k =-0.0681 0.1701 1.2698 ( 2884 PWs) bands (ev): -31.1803 -31.1803 -31.1787 -31.1787 -12.6226 -12.6226 -12.6062 -12.6062 -12.3188 -12.3188 -12.2571 -12.2571 -12.1393 -12.1393 -12.0978 -12.0978 -4.7529 -4.7529 -4.1106 -4.1106 1.0906 1.0906 1.1083 1.1083 1.3755 1.3755 1.5194 1.5194 1.5623 1.5623 5.1693 5.1693 5.9326 5.9326 6.2114 6.2114 6.2701 6.2701 6.8589 6.8589 7.3329 7.3329 9.4434 9.4434 10.8947 10.8947 11.4215 11.4215 11.9769 11.9769 k =-0.0737 0.1841 1.2547 ( 2884 PWs) bands (ev): -31.1807 -31.1807 -31.1789 -31.1789 -12.6237 -12.6237 -12.6060 -12.6060 -12.3198 -12.3198 -12.2535 -12.2535 -12.1398 -12.1398 -12.0949 -12.0949 -4.7485 -4.7485 -4.1062 -4.1062 1.0909 1.0909 1.1088 1.1088 1.3765 1.3765 1.5189 1.5189 1.5607 1.5607 5.1262 5.1262 5.9167 5.9167 6.2390 6.2390 6.2575 6.2575 6.8456 6.8456 7.3311 7.3311 9.4557 9.4557 10.8691 10.8691 11.4567 11.4567 12.0137 12.0137 k =-0.0793 0.1982 1.2396 ( 2882 PWs) bands (ev): -31.1813 -31.1813 -31.1791 -31.1791 -12.6250 -12.6250 -12.6061 -12.6061 -12.3205 -12.3205 -12.2500 -12.2500 -12.1400 -12.1400 -12.0918 -12.0918 -4.7437 -4.7437 -4.1013 -4.1013 1.0912 1.0912 1.1094 1.1094 1.3776 1.3776 1.5181 1.5181 1.5591 1.5591 5.0830 5.0830 5.8984 5.8984 6.2377 6.2377 6.2721 6.2721 6.8316 6.8316 7.3289 7.3289 9.4669 9.4669 10.8490 10.8490 11.4948 11.4948 12.0478 12.0478 k =-0.0849 0.2122 1.2245 ( 2884 PWs) bands (ev): -31.1818 -31.1818 -31.1793 -31.1793 -12.6263 -12.6263 -12.6063 -12.6063 -12.3209 -12.3209 -12.2464 -12.2464 -12.1399 -12.1399 -12.0887 -12.0887 -4.7386 -4.7386 -4.0959 -4.0959 1.0915 1.0915 1.1099 1.1099 1.3788 1.3788 1.5171 1.5171 1.5576 1.5576 5.0399 5.0399 5.8778 5.8778 6.2212 6.2212 6.3002 6.3002 6.8170 6.8170 7.3265 7.3265 9.4765 9.4765 10.8350 10.8350 11.5357 11.5357 12.0792 12.0792 k =-0.0906 0.2262 1.2094 ( 2880 PWs) bands (ev): -31.1824 -31.1824 -31.1796 -31.1796 -12.6277 -12.6277 -12.6067 -12.6067 -12.3209 -12.3209 -12.2429 -12.2429 -12.1395 -12.1395 -12.0856 -12.0856 -4.7332 -4.7332 -4.0902 -4.0902 1.0917 1.0917 1.1105 1.1105 1.3801 1.3801 1.5157 1.5157 1.5562 1.5562 4.9970 4.9970 5.8553 5.8553 6.2028 6.2028 6.3282 6.3282 6.8019 6.8019 7.3240 7.3240 9.4837 9.4837 10.8277 10.8277 11.5792 11.5792 12.1077 12.1077 k =-0.0962 0.2402 1.1943 ( 2880 PWs) bands (ev): -31.1830 -31.1830 -31.1799 -31.1799 -12.6291 -12.6291 -12.6074 -12.6074 -12.3206 -12.3206 -12.2396 -12.2396 -12.1387 -12.1387 -12.0824 -12.0824 -4.7275 -4.7275 -4.0840 -4.0840 1.0920 1.0920 1.1111 1.1111 1.3815 1.3815 1.5140 1.5140 1.5551 1.5551 4.9545 4.9545 5.8310 5.8310 6.1831 6.1831 6.3555 6.3555 6.7864 6.7864 7.3213 7.3213 9.4878 9.4878 10.8278 10.8278 11.6254 11.6254 12.1332 12.1332 k =-0.1018 0.2542 1.1793 ( 2886 PWs) bands (ev): -31.1836 -31.1836 -31.1803 -31.1803 -12.6307 -12.6307 -12.6083 -12.6083 -12.3199 -12.3199 -12.2364 -12.2364 -12.1376 -12.1376 -12.0792 -12.0792 -4.7216 -4.7216 -4.0776 -4.0776 1.0921 1.0921 1.1116 1.1116 1.3829 1.3829 1.5119 1.5119 1.5542 1.5542 4.9126 4.9126 5.8052 5.8052 6.1622 6.1622 6.3820 6.3820 6.7705 6.7705 7.3186 7.3186 9.4885 9.4885 10.8356 10.8356 11.6741 11.6741 12.1558 12.1558 k =-0.1074 0.2682 1.1642 ( 2886 PWs) bands (ev): -31.1843 -31.1843 -31.1806 -31.1806 -12.6324 -12.6324 -12.6094 -12.6094 -12.3189 -12.3189 -12.2333 -12.2333 -12.1361 -12.1361 -12.0760 -12.0760 -4.7155 -4.7155 -4.0708 -4.0708 1.0922 1.0922 1.1122 1.1122 1.3844 1.3844 1.5095 1.5095 1.5535 1.5535 4.8713 4.8713 5.7781 5.7781 6.1401 6.1401 6.4075 6.4075 6.7544 6.7544 7.3158 7.3158 9.4854 9.4854 10.8514 10.8514 11.7252 11.7252 12.1756 12.1756 k =-0.1130 0.2822 1.1491 ( 2884 PWs) bands (ev): -31.1849 -31.1849 -31.1810 -31.1810 -12.6341 -12.6341 -12.6108 -12.6108 -12.3175 -12.3175 -12.2305 -12.2305 -12.1342 -12.1342 -12.0727 -12.0727 -4.7092 -4.7092 -4.0638 -4.0638 1.0923 1.0923 1.1128 1.1128 1.3859 1.3859 1.5068 1.5068 1.5531 1.5531 4.8308 4.8308 5.7500 5.7500 6.1171 6.1171 6.4320 6.4320 6.7382 6.7382 7.3131 7.3131 9.4784 9.4784 10.8750 10.8750 11.7786 11.7786 12.1927 12.1927 k =-0.1186 0.2962 1.1340 ( 2884 PWs) bands (ev): -31.1856 -31.1856 -31.1814 -31.1814 -12.6359 -12.6359 -12.6123 -12.6123 -12.3157 -12.3157 -12.2279 -12.2279 -12.1318 -12.1318 -12.0694 -12.0694 -4.7027 -4.7027 -4.0565 -4.0565 1.0924 1.0924 1.1133 1.1133 1.3875 1.3875 1.5038 1.5038 1.5530 1.5530 4.7911 4.7911 5.7210 5.7210 6.0931 6.0931 6.4555 6.4555 6.7220 6.7220 7.3104 7.3104 9.4677 9.4677 10.9063 10.9063 11.8342 11.8342 12.2075 12.2075 k =-0.1242 0.3102 1.1189 ( 2887 PWs) bands (ev): -31.1863 -31.1863 -31.1818 -31.1818 -12.6379 -12.6379 -12.6142 -12.6142 -12.3137 -12.3137 -12.2255 -12.2255 -12.1291 -12.1291 -12.0662 -12.0662 -4.6961 -4.6961 -4.0491 -4.0491 1.0923 1.0923 1.1138 1.1138 1.3892 1.3892 1.5006 1.5006 1.5531 1.5531 4.7524 4.7524 5.6913 5.6913 6.0683 6.0683 6.4780 6.4780 6.7059 6.7059 7.3077 7.3077 9.4533 9.4533 10.9447 10.9447 11.8918 11.8918 12.2202 12.2202 k =-0.1298 0.3242 1.1038 ( 2891 PWs) bands (ev): -31.1870 -31.1870 -31.1822 -31.1822 -12.6399 -12.6399 -12.6162 -12.6162 -12.3113 -12.3113 -12.2234 -12.2234 -12.1259 -12.1259 -12.0629 -12.0629 -4.6894 -4.6894 -4.0414 -4.0414 1.0923 1.0923 1.1142 1.1142 1.3908 1.3908 1.4972 1.4972 1.5533 1.5533 4.7146 4.7146 5.6611 5.6611 6.0428 6.0428 6.4994 6.4994 6.6900 6.6900 7.3051 7.3051 9.4358 9.4358 10.9898 10.9898 11.9515 11.9515 12.2313 12.2313 k =-0.1354 0.3383 1.0887 ( 2888 PWs) bands (ev): -31.1876 -31.1876 -31.1827 -31.1827 -12.6419 -12.6419 -12.6184 -12.6184 -12.3087 -12.3087 -12.2216 -12.2216 -12.1224 -12.1224 -12.0596 -12.0596 -4.6826 -4.6826 -4.0337 -4.0337 1.0922 1.0922 1.1146 1.1146 1.3926 1.3926 1.4937 1.4937 1.5537 1.5537 4.6779 4.6779 5.6308 5.6308 6.0167 6.0167 6.5198 6.5198 6.6744 6.6744 7.3025 7.3025 9.4155 9.4155 11.0407 11.0407 12.0130 12.0130 12.2410 12.2410 k =-0.1410 0.3523 1.0736 ( 2888 PWs) bands (ev): -31.1883 -31.1883 -31.1831 -31.1831 -12.6440 -12.6440 -12.6207 -12.6207 -12.3058 -12.3058 -12.2200 -12.2200 -12.1185 -12.1185 -12.0563 -12.0563 -4.6758 -4.6758 -4.0259 -4.0259 1.0920 1.0920 1.1150 1.1150 1.3943 1.3943 1.4902 1.4902 1.5543 1.5543 4.6423 4.6423 5.6003 5.6003 5.9901 5.9901 6.5393 6.5393 6.6593 6.6593 7.3001 7.3001 9.3930 9.3930 11.0966 11.0966 12.0761 12.0761 12.2498 12.2498 k =-0.1466 0.3663 1.0585 ( 2886 PWs) bands (ev): -31.1890 -31.1890 -31.1836 -31.1836 -12.6462 -12.6462 -12.6232 -12.6232 -12.3027 -12.3027 -12.2187 -12.2187 -12.1142 -12.1142 -12.0531 -12.0531 -4.6691 -4.6691 -4.0180 -4.0180 1.0918 1.0918 1.1152 1.1152 1.3961 1.3961 1.4866 1.4866 1.5549 1.5549 4.6079 4.6079 5.5699 5.5699 5.9633 5.9633 6.5577 6.5577 6.6445 6.6445 7.2977 7.2977 9.3687 9.3687 11.1567 11.1567 12.1409 12.1409 12.2584 12.2584 k =-0.1522 0.3803 1.0434 ( 2890 PWs) bands (ev): -31.1897 -31.1897 -31.1840 -31.1840 -12.6484 -12.6484 -12.6259 -12.6259 -12.2995 -12.2995 -12.2176 -12.2176 -12.1097 -12.1097 -12.0499 -12.0499 -4.6623 -4.6623 -4.0102 -4.0102 1.0915 1.0915 1.1153 1.1153 1.3978 1.3978 1.4831 1.4831 1.5557 1.5557 4.5746 4.5746 5.5398 5.5398 5.9363 5.9363 6.5751 6.5751 6.6304 6.6304 7.2953 7.2953 9.3431 9.3431 11.2200 11.2200 12.2070 12.2070 12.2672 12.2672 k =-0.1579 0.3943 1.0284 ( 2893 PWs) bands (ev): -31.1904 -31.1904 -31.1845 -31.1845 -12.6507 -12.6507 -12.6286 -12.6286 -12.2961 -12.2961 -12.2167 -12.2167 -12.1050 -12.1050 -12.0467 -12.0467 -4.6557 -4.6557 -4.0024 -4.0024 1.0912 1.0912 1.1154 1.1154 1.3995 1.3995 1.4797 1.4797 1.5565 1.5565 4.5425 4.5425 5.5101 5.5101 5.9093 5.9093 6.5913 6.5913 6.6170 6.6170 7.2931 7.2931 9.3167 9.3167 11.2855 11.2855 12.2716 12.2716 12.2796 12.2796 k =-0.1635 0.4083 1.0133 ( 2889 PWs) bands (ev): -31.1910 -31.1910 -31.1850 -31.1850 -12.6529 -12.6529 -12.6314 -12.6314 -12.2926 -12.2926 -12.2161 -12.2161 -12.1000 -12.1000 -12.0436 -12.0436 -4.6491 -4.6491 -3.9947 -3.9947 1.0908 1.0908 1.1154 1.1154 1.4011 1.4011 1.4764 1.4764 1.5574 1.5574 4.5117 4.5117 5.4811 5.4811 5.8825 5.8825 6.6012 6.6012 6.6097 6.6097 7.2909 7.2909 9.2897 9.2897 11.3522 11.3522 12.2872 12.2872 12.3438 12.3438 k =-0.1691 0.4223 0.9982 ( 2891 PWs) bands (ev): -31.1917 -31.1917 -31.1854 -31.1854 -12.6552 -12.6552 -12.6342 -12.6342 -12.2890 -12.2890 -12.2157 -12.2157 -12.0949 -12.0949 -12.0405 -12.0405 -4.6427 -4.6427 -3.9871 -3.9871 1.0904 1.0904 1.1153 1.1153 1.4028 1.4028 1.4732 1.4732 1.5583 1.5583 4.4823 4.4823 5.4527 5.4527 5.8559 5.8559 6.5905 6.5905 6.6227 6.6227 7.2888 7.2888 9.2626 9.2626 11.4189 11.4189 12.3008 12.3008 12.4133 12.4133 k =-0.1747 0.4363 0.9831 ( 2887 PWs) bands (ev): -31.1923 -31.1923 -31.1859 -31.1859 -12.6575 -12.6575 -12.6370 -12.6370 -12.2854 -12.2854 -12.2154 -12.2154 -12.0897 -12.0897 -12.0375 -12.0375 -4.6364 -4.6364 -3.9797 -3.9797 1.0900 1.0900 1.1151 1.1151 1.4043 1.4043 1.4703 1.4703 1.5593 1.5593 4.4541 4.4541 5.4253 5.4253 5.8299 5.8299 6.5789 6.5789 6.6364 6.6364 7.2868 7.2868 9.2356 9.2356 11.4843 11.4843 12.3178 12.3178 12.4837 12.4837 k =-0.1803 0.4503 0.9680 ( 2887 PWs) bands (ev): -31.1929 -31.1929 -31.1863 -31.1863 -12.6597 -12.6597 -12.6398 -12.6398 -12.2817 -12.2817 -12.2154 -12.2154 -12.0845 -12.0845 -12.0346 -12.0346 -4.6303 -4.6303 -3.9725 -3.9725 1.0895 1.0895 1.1148 1.1148 1.4058 1.4058 1.4675 1.4675 1.5602 1.5602 4.4273 4.4273 5.3988 5.3988 5.8044 5.8044 6.5679 6.5679 6.6494 6.6494 7.2849 7.2849 9.2091 9.2091 11.5470 11.5470 12.3391 12.3391 12.5547 12.5547 k =-0.1859 0.4643 0.9529 ( 2889 PWs) bands (ev): -31.1935 -31.1935 -31.1867 -31.1867 -12.6619 -12.6619 -12.6425 -12.6425 -12.2781 -12.2781 -12.2155 -12.2155 -12.0793 -12.0793 -12.0318 -12.0318 -4.6245 -4.6245 -3.9655 -3.9655 1.0890 1.0890 1.1144 1.1144 1.4072 1.4072 1.4649 1.4649 1.5612 1.5612 4.4019 4.4019 5.3735 5.3735 5.7796 5.7796 6.5575 6.5575 6.6615 6.6615 7.2831 7.2831 9.1833 9.1833 11.6056 11.6056 12.3660 12.3660 12.6261 12.6261 k =-0.1915 0.4784 0.9378 ( 2887 PWs) bands (ev): -31.1941 -31.1941 -31.1871 -31.1871 -12.6641 -12.6641 -12.6452 -12.6452 -12.2745 -12.2745 -12.2157 -12.2157 -12.0741 -12.0741 -12.0292 -12.0292 -4.6188 -4.6188 -3.9588 -3.9588 1.0885 1.0885 1.1140 1.1140 1.4086 1.4086 1.4625 1.4625 1.5622 1.5622 4.3780 4.3780 5.3494 5.3494 5.7558 5.7558 6.5478 6.5478 6.6728 6.6728 7.2814 7.2814 9.1583 9.1583 11.6590 11.6590 12.3995 12.3995 12.6977 12.6977 k =-0.1971 0.4924 0.9227 ( 2891 PWs) bands (ev): -31.1946 -31.1946 -31.1875 -31.1875 -12.6662 -12.6662 -12.6478 -12.6478 -12.2709 -12.2709 -12.2161 -12.2161 -12.0690 -12.0690 -12.0267 -12.0267 -4.6135 -4.6135 -3.9523 -3.9523 1.0880 1.0880 1.1135 1.1135 1.4098 1.4098 1.4604 1.4604 1.5631 1.5631 4.3555 4.3555 5.3266 5.3266 5.7330 5.7330 6.5388 6.5388 6.6833 6.6833 7.2797 7.2797 9.1344 9.1344 11.7059 11.7059 12.4403 12.4403 12.7690 12.7690 k =-0.2027 0.5064 0.9076 ( 2892 PWs) bands (ev): -31.1951 -31.1951 -31.1879 -31.1879 -12.6682 -12.6682 -12.6503 -12.6503 -12.2674 -12.2674 -12.2166 -12.2166 -12.0641 -12.0641 -12.0243 -12.0243 -4.6085 -4.6085 -3.9463 -3.9463 1.0875 1.0875 1.1129 1.1129 1.4109 1.4109 1.4585 1.4585 1.5640 1.5640 4.3345 4.3345 5.3052 5.3052 5.7113 5.7113 6.5305 6.5305 6.6931 6.6931 7.2781 7.2781 9.1118 9.1118 11.7459 11.7459 12.4887 12.4887 12.8400 12.8400 k =-0.2083 0.5204 0.8925 ( 2894 PWs) bands (ev): -31.1956 -31.1956 -31.1882 -31.1882 -12.6701 -12.6701 -12.6527 -12.6527 -12.2640 -12.2640 -12.2173 -12.2173 -12.0593 -12.0593 -12.0221 -12.0221 -4.6037 -4.6037 -3.9406 -3.9406 1.0870 1.0870 1.1123 1.1123 1.4119 1.4119 1.4568 1.4568 1.5649 1.5649 4.3150 4.3150 5.2852 5.2852 5.6909 5.6909 6.5229 6.5229 6.7020 6.7020 7.2767 7.2767 9.0905 9.0905 11.7789 11.7789 12.5444 12.5444 12.9100 12.9100 k =-0.2139 0.5344 0.8774 ( 2893 PWs) bands (ev): -31.1961 -31.1961 -31.1886 -31.1886 -12.6718 -12.6718 -12.6549 -12.6549 -12.2607 -12.2607 -12.2180 -12.2180 -12.0548 -12.0548 -12.0201 -12.0201 -4.5993 -4.5993 -3.9353 -3.9353 1.0866 1.0866 1.1117 1.1117 1.4128 1.4128 1.4554 1.4554 1.5657 1.5657 4.2972 4.2972 5.2668 5.2668 5.6720 5.6720 6.5160 6.5160 6.7102 6.7102 7.2753 7.2753 9.0707 9.0707 11.8055 11.8055 12.6066 12.6066 12.9788 12.9788 k =-0.2196 0.5484 0.8624 ( 2901 PWs) bands (ev): -31.1965 -31.1965 -31.1889 -31.1889 -12.6735 -12.6735 -12.6570 -12.6570 -12.2575 -12.2575 -12.2189 -12.2189 -12.0505 -12.0505 -12.0184 -12.0184 -4.5953 -4.5953 -3.9304 -3.9304 1.0861 1.0861 1.1111 1.1111 1.4135 1.4135 1.4541 1.4541 1.5665 1.5665 4.2808 4.2808 5.2500 5.2500 5.6544 5.6544 6.5098 6.5098 6.7175 6.7175 7.2741 7.2741 9.0525 9.0525 11.8264 11.8264 12.6742 12.6742 13.0458 13.0458 k =-0.2252 0.5624 0.8473 ( 2903 PWs) bands (ev): -31.1968 -31.1968 -31.1891 -31.1891 -12.6750 -12.6750 -12.6588 -12.6588 -12.2544 -12.2544 -12.2199 -12.2199 -12.0465 -12.0465 -12.0168 -12.0168 -4.5917 -4.5917 -3.9259 -3.9259 1.0856 1.0856 1.1105 1.1105 1.4142 1.4142 1.4531 1.4531 1.5672 1.5672 4.2662 4.2662 5.2349 5.2349 5.6385 5.6385 6.5042 6.5042 6.7241 6.7241 7.2730 7.2730 9.0359 9.0359 11.8425 11.8425 12.7459 12.7459 13.1103 13.1103 k =-0.2308 0.5764 0.8322 ( 2903 PWs) bands (ev): -31.1972 -31.1972 -31.1894 -31.1894 -12.6764 -12.6764 -12.6605 -12.6605 -12.2515 -12.2515 -12.2211 -12.2211 -12.0428 -12.0428 -12.0154 -12.0154 -4.5884 -4.5884 -3.9220 -3.9220 1.0853 1.0853 1.1099 1.1099 1.4148 1.4148 1.4522 1.4522 1.5679 1.5679 4.2531 4.2531 5.2214 5.2214 5.6243 5.6243 6.4994 6.4994 6.7299 6.7299 7.2720 7.2720 9.0212 9.0212 11.8548 11.8548 12.8202 12.8202 13.1717 13.1717 k =-0.2364 0.5904 0.8171 ( 2899 PWs) bands (ev): -31.1975 -31.1975 -31.1896 -31.1896 -12.6776 -12.6776 -12.6620 -12.6620 -12.2486 -12.2486 -12.2222 -12.2222 -12.0395 -12.0395 -12.0143 -12.0143 -4.5855 -4.5855 -3.9185 -3.9185 1.0849 1.0849 1.1094 1.1094 1.4152 1.4152 1.4515 1.4515 1.5684 1.5684 4.2418 4.2418 5.2097 5.2097 5.6118 5.6118 6.4952 6.4952 6.7350 6.7350 7.2711 7.2711 9.0083 9.0083 11.8641 11.8641 12.8958 12.8958 13.2291 13.2291 k =-0.2420 0.6044 0.8020 ( 2889 PWs) bands (ev): -31.1977 -31.1977 -31.1898 -31.1898 -12.6786 -12.6786 -12.6632 -12.6632 -12.2459 -12.2459 -12.2235 -12.2235 -12.0365 -12.0365 -12.0133 -12.0133 -4.5831 -4.5831 -3.9155 -3.9155 1.0846 1.0846 1.1090 1.1090 1.4156 1.4156 1.4510 1.4510 1.5690 1.5690 4.2322 4.2322 5.1997 5.1997 5.6011 5.6011 6.4916 6.4916 6.7393 6.7393 7.2704 7.2704 8.9973 8.9973 11.8709 11.8709 12.9712 12.9712 13.2812 13.2812 k =-0.2476 0.6184 0.7869 ( 2889 PWs) bands (ev): -31.1979 -31.1979 -31.1899 -31.1899 -12.6794 -12.6794 -12.6642 -12.6642 -12.2435 -12.2435 -12.2248 -12.2248 -12.0341 -12.0341 -12.0126 -12.0126 -4.5811 -4.5811 -3.9131 -3.9131 1.0844 1.0844 1.1086 1.1086 1.4159 1.4159 1.4506 1.4506 1.5694 1.5694 4.2242 4.2242 5.1915 5.1915 5.5923 5.5923 6.4887 6.4887 6.7428 6.7428 7.2697 7.2697 8.9882 8.9882 11.8759 11.8759 13.0444 13.0444 13.3270 13.3270 k =-0.2532 0.6325 0.7718 ( 2885 PWs) bands (ev): -31.1981 -31.1981 -31.1900 -31.1900 -12.6801 -12.6801 -12.6650 -12.6650 -12.2412 -12.2412 -12.2262 -12.2262 -12.0321 -12.0321 -12.0121 -12.0121 -4.5795 -4.5795 -3.9111 -3.9111 1.0842 1.0842 1.1083 1.1083 1.4161 1.4161 1.4503 1.4503 1.5697 1.5697 4.2181 4.2181 5.1851 5.1851 5.5854 5.5854 6.4865 6.4865 6.7455 6.7455 7.2693 7.2693 8.9811 8.9811 11.8793 11.8793 13.1130 13.1130 13.3648 13.3648 k =-0.2588 0.6465 0.7567 ( 2885 PWs) bands (ev): -31.1982 -31.1982 -31.1901 -31.1901 -12.6806 -12.6806 -12.6656 -12.6656 -12.2393 -12.2393 -12.2275 -12.2275 -12.0306 -12.0306 -12.0118 -12.0118 -4.5784 -4.5784 -3.9098 -3.9098 1.0840 1.0840 1.1080 1.1080 1.4163 1.4163 1.4501 1.4501 1.5700 1.5700 4.2136 4.2136 5.1806 5.1806 5.5804 5.5804 6.4849 6.4849 6.7475 6.7475 7.2689 7.2689 8.9760 8.9760 11.8816 11.8816 13.1728 13.1728 13.3933 13.3933 k =-0.2644 0.6605 0.7416 ( 2887 PWs) bands (ev): -31.1982 -31.1982 -31.1902 -31.1902 -12.6808 -12.6808 -12.6660 -12.6660 -12.2378 -12.2378 -12.2286 -12.2286 -12.0297 -12.0297 -12.0116 -12.0116 -4.5777 -4.5777 -3.9089 -3.9089 1.0840 1.0840 1.1079 1.1079 1.4164 1.4164 1.4500 1.4500 1.5701 1.5701 4.2110 4.2110 5.1778 5.1778 5.5775 5.5775 6.4839 6.4839 6.7486 6.7486 7.2687 7.2687 8.9729 8.9729 11.8829 11.8829 13.2163 13.2163 13.4111 13.4111 k =-0.2700 0.6745 0.7265 ( 2889 PWs) bands (ev): -31.1983 -31.1983 -31.1902 -31.1902 -12.6809 -12.6809 -12.6661 -12.6661 -12.2373 -12.2373 -12.2290 -12.2290 -12.0294 -12.0294 -12.0116 -12.0116 -4.5775 -4.5775 -3.9087 -3.9087 1.0839 1.0839 1.1078 1.1078 1.4164 1.4164 1.4500 1.4500 1.5702 1.5702 4.2101 4.2101 5.1769 5.1769 5.5765 5.5765 6.4836 6.4836 6.7490 6.7490 7.2686 7.2686 8.9719 8.9719 11.8834 11.8834 13.2329 13.2329 13.4171 13.4171 k =-0.2700 0.6745 0.7265 ( 2889 PWs) bands (ev): -31.1983 -31.1983 -31.1902 -31.1902 -12.6809 -12.6809 -12.6661 -12.6661 -12.2373 -12.2373 -12.2290 -12.2290 -12.0294 -12.0294 -12.0116 -12.0116 -4.5775 -4.5775 -3.9087 -3.9087 1.0839 1.0839 1.1078 1.1078 1.4164 1.4164 1.4500 1.4500 1.5702 1.5702 4.2101 4.2101 5.1769 5.1769 5.5765 5.5765 6.4836 6.4836 6.7490 6.7490 7.2686 7.2686 8.9719 8.9719 11.8834 11.8834 13.2329 13.2329 13.4171 13.4171 k =-0.2644 0.6604 0.7114 ( 2893 PWs) bands (ev): -31.1968 -31.1968 -31.1914 -31.1914 -12.6811 -12.6811 -12.6682 -12.6682 -12.2366 -12.2366 -12.2307 -12.2307 -12.0271 -12.0271 -12.0138 -12.0138 -4.5769 -4.5769 -3.9010 -3.9010 1.0829 1.0829 1.1076 1.1076 1.4162 1.4162 1.4491 1.4491 1.5695 1.5695 4.2343 4.2343 5.1443 5.1443 5.5838 5.5838 6.4717 6.4717 6.7431 6.7431 7.2625 7.2625 8.9596 8.9596 11.8664 11.8664 13.2606 13.2606 13.3736 13.3736 k =-0.2588 0.6464 0.6963 ( 2897 PWs) bands (ev): -31.1955 -31.1955 -31.1926 -31.1926 -12.6814 -12.6814 -12.6694 -12.6694 -12.2369 -12.2369 -12.2311 -12.2311 -12.0248 -12.0248 -12.0160 -12.0160 -4.5776 -4.5776 -3.8947 -3.8947 1.0821 1.0821 1.1075 1.1075 1.4161 1.4161 1.4482 1.4482 1.5683 1.5683 4.2585 4.2585 5.1136 5.1136 5.5932 5.5932 6.4616 6.4616 6.7388 6.7388 7.2583 7.2583 8.9526 8.9526 11.8488 11.8488 13.2883 13.2883 13.3308 13.3308 k =-0.2532 0.6323 0.6811 ( 2901 PWs) bands (ev): -31.1941 -31.1941 -31.1938 -31.1938 -12.6820 -12.6820 -12.6695 -12.6695 -12.2382 -12.2382 -12.2301 -12.2301 -12.0229 -12.0229 -12.0180 -12.0180 -4.5794 -4.5794 -3.8897 -3.8897 1.0815 1.0815 1.1073 1.1073 1.4161 1.4161 1.4471 1.4471 1.5664 1.5664 4.2825 4.2825 5.0852 5.0852 5.6045 5.6045 6.4530 6.4530 6.7362 6.7362 7.2558 7.2558 8.9508 8.9508 11.8308 11.8308 13.2885 13.2885 13.3165 13.3165 k =-0.2475 0.6183 0.6660 ( 2899 PWs) bands (ev): -31.1951 -31.1951 -31.1928 -31.1928 -12.6829 -12.6829 -12.6685 -12.6685 -12.2399 -12.2399 -12.2285 -12.2285 -12.0226 -12.0226 -12.0183 -12.0183 -4.5825 -4.5825 -3.8860 -3.8860 1.0811 1.0811 1.1072 1.1072 1.4162 1.4162 1.4460 1.4460 1.5639 1.5639 4.3062 4.3062 5.0593 5.0593 5.6179 5.6179 6.4461 6.4461 6.7353 6.7353 7.2552 7.2552 8.9540 8.9540 11.8128 11.8128 13.2471 13.2471 13.3449 13.3449 k =-0.2419 0.6042 0.6509 ( 2891 PWs) bands (ev): -31.1965 -31.1965 -31.1915 -31.1915 -12.6838 -12.6838 -12.6668 -12.6668 -12.2416 -12.2416 -12.2266 -12.2266 -12.0242 -12.0242 -12.0166 -12.0166 -4.5867 -4.5867 -3.8837 -3.8837 1.0808 1.0808 1.1071 1.1071 1.4164 1.4164 1.4449 1.4449 1.5609 1.5609 4.3290 4.3290 5.0365 5.0365 5.6333 5.6333 6.4407 6.4407 6.7360 6.7360 7.2565 7.2565 8.9620 8.9620 11.7951 11.7951 13.2063 13.2063 13.3742 13.3742 k =-0.2363 0.5902 0.6357 ( 2887 PWs) bands (ev): -31.1979 -31.1979 -31.1903 -31.1903 -12.6847 -12.6847 -12.6643 -12.6643 -12.2432 -12.2432 -12.2244 -12.2244 -12.0264 -12.0264 -12.0144 -12.0144 -4.5922 -4.5922 -3.8827 -3.8827 1.0807 1.0807 1.1070 1.1070 1.4166 1.4166 1.4435 1.4435 1.5575 1.5575 4.3502 4.3502 5.0173 5.0173 5.6508 5.6508 6.4370 6.4370 6.7385 6.7385 7.2595 7.2595 8.9747 8.9747 11.7779 11.7779 13.1660 13.1660 13.4043 13.4043 k =-0.2307 0.5761 0.6206 ( 2881 PWs) bands (ev): -31.1993 -31.1993 -31.1891 -31.1891 -12.6853 -12.6853 -12.6613 -12.6613 -12.2447 -12.2447 -12.2221 -12.2221 -12.0287 -12.0287 -12.0122 -12.0122 -4.5989 -4.5989 -3.8830 -3.8830 1.0808 1.0808 1.1069 1.1069 1.4169 1.4169 1.4420 1.4420 1.5536 1.5536 4.3692 4.3692 5.0027 5.0027 5.6703 5.6703 6.4347 6.4347 6.7426 6.7426 7.2644 7.2644 8.9917 8.9917 11.7616 11.7616 13.1262 13.1262 13.4353 13.4353 k =-0.2250 0.5621 0.6054 ( 2881 PWs) bands (ev): -31.2008 -31.2008 -31.1880 -31.1880 -12.6858 -12.6858 -12.6578 -12.6578 -12.2460 -12.2460 -12.2197 -12.2197 -12.0311 -12.0311 -12.0100 -12.0100 -4.6068 -4.6068 -3.8846 -3.8846 1.0808 1.0808 1.1069 1.1069 1.4173 1.4173 1.4404 1.4404 1.5494 1.5494 4.3848 4.3848 4.9938 4.9938 5.6917 5.6917 6.4341 6.4341 6.7483 6.7483 7.2711 7.2711 9.0126 9.0126 11.7465 11.7465 13.0867 13.0867 13.4672 13.4672 k =-0.2194 0.5480 0.5903 ( 2873 PWs) bands (ev): -31.2022 -31.2022 -31.1869 -31.1869 -12.6860 -12.6860 -12.6538 -12.6538 -12.2472 -12.2472 -12.2171 -12.2171 -12.0333 -12.0333 -12.0078 -12.0078 -4.6159 -4.6159 -3.8874 -3.8874 1.0810 1.0810 1.1069 1.1069 1.4177 1.4177 1.4385 1.4385 1.5449 1.5449 4.3959 4.3959 4.9918 4.9918 5.7149 5.7149 6.4353 6.4353 6.7558 6.7558 7.2795 7.2795 9.0370 9.0370 11.7329 11.7329 13.0472 13.0472 13.5000 13.5000 k =-0.2138 0.5340 0.5752 ( 2873 PWs) bands (ev): -31.2038 -31.2038 -31.1859 -31.1859 -12.6860 -12.6860 -12.6494 -12.6494 -12.2481 -12.2481 -12.2145 -12.2145 -12.0357 -12.0357 -12.0056 -12.0056 -4.6260 -4.6260 -3.8915 -3.8915 1.0812 1.0812 1.1070 1.1070 1.4182 1.4182 1.4364 1.4364 1.5404 1.5404 4.4017 4.4017 4.9975 4.9975 5.7397 5.7397 6.4382 6.4382 6.7648 6.7648 7.2897 7.2897 9.0645 9.0645 11.7212 11.7212 13.0074 13.0074 13.5333 13.5333 k =-0.2082 0.5199 0.5600 ( 2877 PWs) bands (ev): -31.2053 -31.2053 -31.1849 -31.1849 -12.6858 -12.6858 -12.6446 -12.6446 -12.2489 -12.2489 -12.2117 -12.2117 -12.0379 -12.0379 -12.0035 -12.0035 -4.6373 -4.6373 -3.8968 -3.8968 1.0813 1.0813 1.1071 1.1071 1.4187 1.4187 1.4340 1.4340 1.5357 1.5357 4.4016 4.4016 5.0118 5.0118 5.7659 5.7659 6.4431 6.4431 6.7754 6.7754 7.3015 7.3015 9.0946 9.0946 11.7117 11.7117 12.9668 12.9668 13.5672 13.5672 k =-0.2025 0.5059 0.5449 ( 2877 PWs) bands (ev): -31.2069 -31.2069 -31.1839 -31.1839 -12.6853 -12.6853 -12.6394 -12.6394 -12.2494 -12.2494 -12.2089 -12.2089 -12.0401 -12.0401 -12.0014 -12.0014 -4.6496 -4.6496 -3.9031 -3.9031 1.0814 1.0814 1.1073 1.1073 1.4192 1.4192 1.4314 1.4314 1.5311 1.5311 4.3953 4.3953 5.0348 5.0348 5.7932 5.7932 6.4501 6.4501 6.7876 6.7876 7.3150 7.3150 9.1267 9.1267 11.7047 11.7047 12.9249 12.9249 13.6012 13.6012 k =-0.1969 0.4918 0.5298 ( 2877 PWs) bands (ev): -31.2085 -31.2085 -31.1831 -31.1831 -12.6847 -12.6847 -12.6339 -12.6339 -12.2498 -12.2498 -12.2059 -12.2059 -12.0422 -12.0422 -11.9994 -11.9994 -4.6629 -4.6629 -3.9106 -3.9106 1.0814 1.0814 1.1077 1.1077 1.4197 1.4197 1.4286 1.4286 1.5267 1.5267 4.3835 4.3835 5.0661 5.0661 5.8214 5.8214 6.4595 6.4595 6.8013 6.8013 7.3301 7.3301 9.1602 9.1602 11.7006 11.7006 12.8808 12.8808 13.6079 13.6079 k =-0.1913 0.4778 0.5146 ( 2875 PWs) bands (ev): -31.2101 -31.2101 -31.1822 -31.1822 -12.6840 -12.6840 -12.6280 -12.6280 -12.2499 -12.2499 -12.2028 -12.2028 -12.0442 -12.0442 -11.9974 -11.9974 -4.6772 -4.6772 -3.9191 -3.9191 1.0812 1.0812 1.1081 1.1081 1.4201 1.4201 1.4256 1.4256 1.5225 1.5225 4.3667 4.3667 5.1051 5.1051 5.8501 5.8501 6.4717 6.4717 6.8165 6.8165 7.3467 7.3467 9.1947 9.1947 11.6998 11.6998 12.8339 12.8339 13.5295 13.5295 k =-0.1856 0.4637 0.4995 ( 2875 PWs) bands (ev): -31.2118 -31.2118 -31.1814 -31.1814 -12.6831 -12.6831 -12.6218 -12.6218 -12.2499 -12.2499 -12.1997 -12.1997 -12.0461 -12.0461 -11.9954 -11.9954 -4.6923 -4.6923 -3.9286 -3.9286 1.0809 1.0809 1.1087 1.1087 1.4197 1.4197 1.4233 1.4233 1.5186 1.5186 4.3458 4.3458 5.1511 5.1511 5.8787 5.8787 6.4869 6.4869 6.8331 6.8331 7.3649 7.3649 9.2293 9.2293 11.7026 11.7026 12.7830 12.7830 13.4552 13.4553 k =-0.1800 0.4497 0.4844 ( 2879 PWs) bands (ev): -31.2134 -31.2134 -31.1807 -31.1807 -12.6821 -12.6821 -12.6154 -12.6154 -12.2497 -12.2497 -12.1965 -12.1965 -12.0479 -12.0479 -11.9936 -11.9936 -4.7083 -4.7083 -3.9389 -3.9389 1.0804 1.0804 1.1093 1.1093 1.4170 1.4170 1.4229 1.4229 1.5151 1.5151 4.3217 4.3217 5.2031 5.2031 5.9069 5.9069 6.5055 6.5055 6.8510 6.8510 7.3845 7.3845 9.2636 9.2636 11.7092 11.7092 12.7273 12.7273 13.3866 13.3866 k =-0.1744 0.4356 0.4692 ( 2879 PWs) bands (ev): -31.2151 -31.2151 -31.1800 -31.1800 -12.6810 -12.6810 -12.6087 -12.6087 -12.2493 -12.2493 -12.1931 -12.1931 -12.0495 -12.0495 -11.9917 -11.9917 -4.7250 -4.7250 -3.9501 -3.9501 1.0796 1.0796 1.1100 1.1100 1.4132 1.4132 1.4233 1.4233 1.5120 1.5120 4.2951 4.2951 5.2604 5.2604 5.9342 5.9342 6.5279 6.5279 6.8703 6.8703 7.4054 7.4054 9.2969 9.2969 11.7201 11.7201 12.6661 12.6661 13.3248 13.3248 k =-0.1688 0.4216 0.4541 ( 2875 PWs) bands (ev): -31.2167 -31.2167 -31.1793 -31.1793 -12.6798 -12.6798 -12.6017 -12.6017 -12.2487 -12.2487 -12.1897 -12.1897 -12.0509 -12.0509 -11.9899 -11.9899 -4.7423 -4.7423 -3.9620 -3.9620 1.0787 1.0787 1.1107 1.1107 1.4091 1.4091 1.4240 1.4240 1.5093 1.5093 4.2668 4.2668 5.3226 5.3226 5.9601 5.9601 6.5544 6.5544 6.8907 6.8907 7.4276 7.4276 9.3285 9.3285 11.7355 11.7355 12.5990 12.5990 13.2703 13.2703 k =-0.1631 0.4075 0.4389 ( 2875 PWs) bands (ev): -31.2184 -31.2184 -31.1787 -31.1787 -12.6787 -12.6787 -12.5945 -12.5945 -12.2480 -12.2480 -12.1862 -12.1862 -12.0522 -12.0522 -11.9881 -11.9881 -4.7603 -4.7603 -3.9745 -3.9745 1.0775 1.0775 1.1115 1.1115 1.4048 1.4048 1.4247 1.4247 1.5070 1.5070 4.2372 4.2372 5.3889 5.3889 5.9843 5.9843 6.5852 6.5852 6.9123 6.9123 7.4510 7.4510 9.3581 9.3581 11.7554 11.7554 12.5262 12.5262 13.2234 13.2234 k =-0.1575 0.3935 0.4238 ( 2877 PWs) bands (ev): -31.2200 -31.2200 -31.1782 -31.1782 -12.6776 -12.6776 -12.5872 -12.5872 -12.2472 -12.2472 -12.1825 -12.1825 -12.0533 -12.0533 -11.9863 -11.9863 -4.7788 -4.7788 -3.9877 -3.9877 1.0761 1.0761 1.1122 1.1122 1.4004 1.4004 1.4254 1.4254 1.5051 1.5051 4.2067 4.2067 5.4590 5.4590 6.0064 6.0064 6.6206 6.6206 6.9349 6.9349 7.4756 7.4756 9.3850 9.3850 11.7800 11.7800 12.4481 12.4481 13.1838 13.1838 k =-0.1519 0.3794 0.4087 ( 2883 PWs) bands (ev): -31.2217 -31.2217 -31.1777 -31.1777 -12.6764 -12.6764 -12.5798 -12.5798 -12.2464 -12.2464 -12.1788 -12.1788 -12.0542 -12.0542 -11.9846 -11.9846 -4.7977 -4.7977 -4.0014 -4.0014 1.0745 1.0745 1.1129 1.1129 1.3960 1.3960 1.4261 1.4261 1.5036 1.5036 4.1757 4.1757 5.5324 5.5324 6.0263 6.0263 6.6605 6.6605 6.9585 6.9585 7.5011 7.5011 9.4088 9.4088 11.8092 11.8092 12.3657 12.3657 13.1509 13.1509 k =-0.1463 0.3653 0.3935 ( 2891 PWs) bands (ev): -31.2233 -31.2233 -31.1772 -31.1772 -12.6754 -12.6754 -12.5723 -12.5723 -12.2455 -12.2455 -12.1751 -12.1751 -12.0550 -12.0550 -11.9829 -11.9829 -4.8170 -4.8170 -4.0154 -4.0154 1.0727 1.0727 1.1135 1.1135 1.3916 1.3916 1.4267 1.4267 1.5024 1.5024 4.1446 4.1446 5.6089 5.6089 6.0439 6.0439 6.7048 6.7048 6.9830 6.9830 7.5275 7.5275 9.4292 9.4292 11.8429 11.8429 12.2798 12.2798 13.1239 13.1239 k =-0.1406 0.3513 0.3784 ( 2891 PWs) bands (ev): -31.2249 -31.2249 -31.1768 -31.1768 -12.6744 -12.6744 -12.5646 -12.5646 -12.2446 -12.2446 -12.1712 -12.1712 -12.0554 -12.0554 -11.9811 -11.9811 -4.8366 -4.8366 -4.0299 -4.0299 1.0707 1.0707 1.1140 1.1140 1.3874 1.3874 1.4274 1.4274 1.5016 1.5016 4.1136 4.1136 5.6881 5.6881 6.0593 6.0593 6.7535 6.7535 7.0083 7.0083 7.5548 7.5548 9.4459 9.4459 11.8808 11.8808 12.1914 12.1914 13.1022 13.1022 k =-0.1350 0.3372 0.3633 ( 2891 PWs) bands (ev): -31.2265 -31.2265 -31.1764 -31.1764 -12.6734 -12.6734 -12.5569 -12.5569 -12.2437 -12.2437 -12.1672 -12.1672 -12.0557 -12.0557 -11.9793 -11.9793 -4.8563 -4.8563 -4.0445 -4.0445 1.0685 1.0685 1.1145 1.1145 1.3834 1.3834 1.4280 1.4280 1.5011 1.5011 4.0828 4.0828 5.7697 5.7697 6.0727 6.0727 6.8060 6.8060 7.0342 7.0342 7.5828 7.5828 9.4588 9.4588 11.9223 11.9223 12.1013 12.1013 13.0848 13.0848 k =-0.1294 0.3232 0.3481 ( 2895 PWs) bands (ev): -31.2281 -31.2281 -31.1760 -31.1760 -12.6726 -12.6726 -12.5493 -12.5493 -12.2428 -12.2428 -12.1632 -12.1632 -12.0558 -12.0558 -11.9775 -11.9775 -4.8761 -4.8761 -4.0594 -4.0594 1.0662 1.0662 1.1148 1.1148 1.3796 1.3796 1.4286 1.4286 1.5008 1.5008 4.0525 4.0525 5.8535 5.8535 6.0842 6.0842 6.8621 6.8621 7.0606 7.0606 7.6113 7.6113 9.4678 9.4678 11.9668 11.9668 12.0104 12.0104 13.0714 13.0714 k =-0.1238 0.3091 0.3330 ( 2891 PWs) bands (ev): -31.2296 -31.2296 -31.1757 -31.1757 -12.6718 -12.6718 -12.5416 -12.5416 -12.2420 -12.2420 -12.1590 -12.1590 -12.0557 -12.0557 -11.9756 -11.9756 -4.8959 -4.8959 -4.0743 -4.0743 1.0637 1.0637 1.1151 1.1151 1.3761 1.3761 1.4292 1.4292 1.5008 1.5008 4.0228 4.0228 5.9392 5.9392 6.0940 6.0940 6.9214 6.9214 7.0875 7.0875 7.6403 7.6403 9.4729 9.4729 11.9192 11.9192 12.0134 12.0134 13.0612 13.0612 k =-0.1181 0.2951 0.3179 ( 2897 PWs) bands (ev): -31.2311 -31.2311 -31.1754 -31.1754 -12.6711 -12.6711 -12.5340 -12.5340 -12.2413 -12.2413 -12.1549 -12.1549 -12.0554 -12.0554 -11.9737 -11.9737 -4.9156 -4.9156 -4.0893 -4.0893 1.0610 1.0610 1.1151 1.1151 1.3728 1.3728 1.4297 1.4297 1.5010 1.5010 3.9939 3.9939 6.0263 6.0263 6.1025 6.1025 6.9835 6.9835 7.1146 7.1146 7.6696 7.6696 9.4741 9.4741 11.8282 11.8282 12.0612 12.0612 13.0539 13.0539 k =-0.1125 0.2810 0.3027 ( 2901 PWs) bands (ev): -31.2326 -31.2326 -31.1752 -31.1752 -12.6706 -12.6706 -12.5265 -12.5265 -12.2407 -12.2407 -12.1507 -12.1507 -12.0550 -12.0550 -11.9717 -11.9717 -4.9351 -4.9351 -4.1041 -4.1041 1.0583 1.0583 1.1151 1.1151 1.3698 1.3698 1.4302 1.4302 1.5014 1.5014 3.9658 3.9658 6.1058 6.1058 6.1187 6.1187 7.0478 7.0478 7.1419 7.1419 7.6991 7.6991 9.4715 9.4715 11.7379 11.7379 12.1087 12.1087 13.0491 13.0491 k =-0.1069 0.2670 0.2876 ( 2901 PWs) bands (ev): -31.2340 -31.2340 -31.1749 -31.1749 -12.6701 -12.6701 -12.5191 -12.5191 -12.2402 -12.2402 -12.1464 -12.1464 -12.0545 -12.0545 -11.9695 -11.9695 -4.9544 -4.9544 -4.1189 -4.1189 1.0554 1.0554 1.1150 1.1150 1.3671 1.3671 1.4307 1.4307 1.5019 1.5019 3.9387 3.9387 6.1146 6.1146 6.2058 6.2058 7.1141 7.1141 7.1693 7.1693 7.7286 7.7286 9.4654 9.4654 11.6485 11.6485 12.1545 12.1545 13.0465 13.0465 k =-0.1013 0.2529 0.2725 ( 2905 PWs) bands (ev): -31.2354 -31.2354 -31.1747 -31.1747 -12.6698 -12.6698 -12.5119 -12.5119 -12.2398 -12.2398 -12.1422 -12.1422 -12.0539 -12.0539 -11.9673 -11.9673 -4.9733 -4.9733 -4.1333 -4.1333 1.0525 1.0525 1.1148 1.1148 1.3647 1.3647 1.4311 1.4311 1.5026 1.5026 3.9126 3.9126 6.1197 6.1197 6.2963 6.2963 7.1819 7.1819 7.1965 7.1965 7.7580 7.7580 9.4559 9.4559 11.5607 11.5607 12.1969 12.1969 13.0458 13.0458 k =-0.0956 0.2389 0.2573 ( 2897 PWs) bands (ev): -31.2367 -31.2367 -31.1745 -31.1745 -12.6695 -12.6695 -12.5049 -12.5049 -12.2395 -12.2395 -12.1379 -12.1379 -12.0533 -12.0533 -11.9649 -11.9649 -4.9917 -4.9917 -4.1475 -4.1475 1.0496 1.0496 1.1145 1.1145 1.3626 1.3626 1.4316 1.4316 1.5033 1.5033 3.8876 3.8876 6.1239 6.1239 6.3875 6.3875 7.2234 7.2234 7.2507 7.2507 7.7871 7.7871 9.4433 9.4433 11.4745 11.4745 12.2337 12.2337 13.0468 13.0468 k =-0.0900 0.2248 0.2422 ( 2889 PWs) bands (ev): -31.2379 -31.2379 -31.1744 -31.1744 -12.6693 -12.6693 -12.4980 -12.4980 -12.2393 -12.2393 -12.1336 -12.1336 -12.0527 -12.0527 -11.9624 -11.9624 -5.0096 -5.0096 -4.1613 -4.1613 1.0466 1.0466 1.1141 1.1141 1.3608 1.3608 1.4320 1.4320 1.5042 1.5042 3.8638 3.8638 6.1274 6.1274 6.4788 6.4788 7.2499 7.2499 7.3202 7.3202 7.8157 7.8157 9.4277 9.4277 11.3903 11.3903 12.2628 12.2628 13.0492 13.0492 k =-0.0844 0.2108 0.2270 ( 2887 PWs) bands (ev): -31.2392 -31.2392 -31.1742 -31.1742 -12.6691 -12.6691 -12.4915 -12.4915 -12.2392 -12.2392 -12.1293 -12.1293 -12.0522 -12.0522 -11.9599 -11.9599 -5.0269 -5.0269 -4.1746 -4.1746 1.0436 1.0436 1.1137 1.1137 1.3591 1.3591 1.4324 1.4324 1.5052 1.5052 3.8413 3.8413 6.1303 6.1303 6.5700 6.5700 7.2759 7.2759 7.3899 7.3899 7.8438 7.8438 9.4093 9.4093 11.3084 11.3084 12.2824 12.2824 13.0526 13.0527 k =-0.0788 0.1967 0.2119 ( 2895 PWs) bands (ev): -31.2403 -31.2403 -31.1741 -31.1741 -12.6691 -12.6691 -12.4853 -12.4853 -12.2393 -12.2393 -12.1251 -12.1251 -12.0518 -12.0518 -11.9572 -11.9572 -5.0434 -5.0434 -4.1874 -4.1874 1.0406 1.0406 1.1132 1.1132 1.3577 1.3577 1.4327 1.4327 1.5061 1.5061 3.8200 3.8200 6.1326 6.1326 6.6605 6.6605 7.3011 7.3011 7.4592 7.4592 7.8711 7.8711 9.3886 9.3886 11.2289 11.2289 12.2910 12.2910 13.0510 13.0514 k =-0.0731 0.1827 0.1968 ( 2901 PWs) bands (ev): -31.2414 -31.2414 -31.1740 -31.1740 -12.6692 -12.6692 -12.4793 -12.4793 -12.2395 -12.2395 -12.1210 -12.1210 -12.0515 -12.0515 -11.9545 -11.9545 -5.0592 -5.0592 -4.1997 -4.1997 1.0377 1.0377 1.1126 1.1126 1.3565 1.3565 1.4330 1.4330 1.5070 1.5070 3.8000 3.8000 6.1346 6.1346 6.7500 6.7500 7.3254 7.3254 7.5279 7.5279 7.8974 7.8974 9.3656 9.3656 11.1521 11.1521 12.2885 12.2885 13.0378 13.0378 k =-0.0675 0.1686 0.1816 ( 2907 PWs) bands (ev): -31.2424 -31.2424 -31.1739 -31.1739 -12.6692 -12.6692 -12.4738 -12.4738 -12.2397 -12.2397 -12.1169 -12.1169 -12.0514 -12.0514 -11.9518 -11.9518 -5.0742 -5.0742 -4.2113 -4.2113 1.0349 1.0349 1.1120 1.1120 1.3555 1.3555 1.4333 1.4333 1.5079 1.5079 3.7814 3.7814 6.1361 6.1361 6.8380 6.8380 7.3487 7.3487 7.5953 7.5953 7.9226 7.9226 9.3407 9.3407 11.0784 11.0784 12.2757 12.2757 13.0322 13.0322 k =-0.0619 0.1546 0.1665 ( 2911 PWs) bands (ev): -31.2434 -31.2434 -31.1738 -31.1738 -12.6694 -12.6694 -12.4685 -12.4685 -12.2400 -12.2400 -12.1129 -12.1129 -12.0515 -12.0515 -11.9490 -11.9490 -5.0882 -5.0882 -4.2221 -4.2221 1.0321 1.0321 1.1115 1.1115 1.3546 1.3546 1.4335 1.4335 1.5089 1.5089 3.7642 3.7642 6.1374 6.1374 6.9239 6.9239 7.3709 7.3709 7.6609 7.6609 7.9467 7.9467 9.3143 9.3143 11.0081 11.0081 12.2546 12.2546 13.0328 13.0328 k =-0.0563 0.1405 0.1514 ( 2905 PWs) bands (ev): -31.2443 -31.2443 -31.1738 -31.1738 -12.6695 -12.6695 -12.4637 -12.4637 -12.2403 -12.2403 -12.1089 -12.1089 -12.0517 -12.0517 -11.9462 -11.9462 -5.1013 -5.1013 -4.2323 -4.2323 1.0296 1.0296 1.1110 1.1110 1.3539 1.3539 1.4338 1.4338 1.5098 1.5098 3.7484 3.7484 6.1384 6.1384 7.0072 7.0072 7.3916 7.3916 7.7242 7.7242 7.9693 7.9693 9.2866 9.2866 10.9417 10.9417 12.2276 12.2276 13.0373 13.0373 k =-0.0506 0.1265 0.1362 ( 2893 PWs) bands (ev): -31.2451 -31.2451 -31.1737 -31.1737 -12.6696 -12.6696 -12.4592 -12.4592 -12.2405 -12.2405 -12.1050 -12.1050 -12.0522 -12.0522 -11.9435 -11.9435 -5.1133 -5.1133 -4.2416 -4.2416 1.0272 1.0272 1.1105 1.1105 1.3534 1.3534 1.4341 1.4341 1.5108 1.5108 3.7340 3.7340 6.1393 6.1393 7.0870 7.0870 7.4110 7.4110 7.7844 7.7844 7.9903 7.9903 9.2583 9.2583 10.8793 10.8793 12.1971 12.1971 13.0438 13.0438 k =-0.0450 0.1124 0.1211 ( 2897 PWs) bands (ev): -31.2458 -31.2458 -31.1737 -31.1737 -12.6698 -12.6698 -12.4551 -12.4551 -12.2409 -12.2409 -12.1013 -12.1013 -12.0528 -12.0528 -11.9410 -11.9410 -5.1241 -5.1241 -4.2500 -4.2500 1.0250 1.0250 1.1100 1.1100 1.3529 1.3529 1.4343 1.4343 1.5115 1.5115 3.7211 3.7211 6.1399 6.1399 7.1626 7.1626 7.4288 7.4288 7.8409 7.8409 8.0097 8.0097 9.2296 9.2296 10.8213 10.8213 12.1652 12.1652 13.0507 13.0507 k =-0.0394 0.0984 0.1060 ( 2897 PWs) bands (ev): -31.2464 -31.2464 -31.1736 -31.1736 -12.6699 -12.6699 -12.4515 -12.4515 -12.2413 -12.2413 -12.0977 -12.0977 -12.0537 -12.0537 -11.9386 -11.9386 -5.1339 -5.1339 -4.2576 -4.2576 1.0230 1.0230 1.1095 1.1095 1.3525 1.3525 1.4345 1.4345 1.5123 1.5123 3.7097 3.7097 6.1404 6.1404 7.2330 7.2330 7.4448 7.4448 7.8930 7.8930 8.0273 8.0273 9.2013 9.2013 10.7684 10.7684 12.1337 12.1337 13.0571 13.0572 k =-0.0338 0.0843 0.0908 ( 2893 PWs) bands (ev): -31.2470 -31.2470 -31.1736 -31.1736 -12.6701 -12.6701 -12.4483 -12.4483 -12.2416 -12.2416 -12.0943 -12.0943 -12.0547 -12.0547 -11.9365 -11.9365 -5.1424 -5.1424 -4.2642 -4.2642 1.0213 1.0213 1.1091 1.1091 1.3522 1.3522 1.4347 1.4347 1.5130 1.5130 3.6998 3.6998 6.1408 6.1408 7.2973 7.2973 7.4592 7.4592 7.9399 7.9399 8.0431 8.0431 9.1741 9.1741 10.7210 10.7210 12.1039 12.1039 13.0626 13.0626 k =-0.0281 0.0703 0.0757 ( 2889 PWs) bands (ev): -31.2475 -31.2475 -31.1736 -31.1736 -12.6702 -12.6702 -12.4456 -12.4456 -12.2419 -12.2419 -12.0911 -12.0911 -12.0559 -12.0559 -11.9346 -11.9346 -5.1497 -5.1497 -4.2699 -4.2699 1.0198 1.0198 1.1087 1.1087 1.3520 1.3520 1.4349 1.4349 1.5135 1.5135 3.6914 3.6914 6.1411 6.1411 7.3543 7.3543 7.4717 7.4717 7.9808 7.9808 8.0571 8.0571 9.1487 9.1487 10.6797 10.6797 12.0770 12.0770 13.0668 13.0669 k =-0.0225 0.0562 0.0605 ( 2891 PWs) bands (ev): -31.2479 -31.2479 -31.1736 -31.1736 -12.6703 -12.6703 -12.4434 -12.4434 -12.2422 -12.2422 -12.0882 -12.0882 -12.0571 -12.0571 -11.9330 -11.9330 -5.1557 -5.1557 -4.2745 -4.2745 1.0185 1.0185 1.1084 1.1084 1.3518 1.3518 1.4350 1.4350 1.5140 1.5140 3.6846 3.6846 6.1413 6.1413 7.4027 7.4027 7.4825 7.4825 8.0146 8.0146 8.0694 8.0694 9.1262 9.1262 10.6450 10.6450 12.0540 12.0540 13.0699 13.0699 k =-0.0169 0.0422 0.0454 ( 2897 PWs) bands (ev): -31.2482 -31.2482 -31.1736 -31.1736 -12.6705 -12.6705 -12.4417 -12.4417 -12.2424 -12.2424 -12.0857 -12.0857 -12.0583 -12.0583 -11.9317 -11.9317 -5.1604 -5.1604 -4.2782 -4.2782 1.0175 1.0175 1.1081 1.1081 1.3517 1.3517 1.4351 1.4351 1.5144 1.5144 3.6792 3.6792 6.1414 6.1414 7.4410 7.4410 7.4919 7.4919 8.0404 8.0404 8.0803 8.0803 9.1073 9.1073 10.6173 10.6173 12.0352 12.0352 13.0721 13.0721 k =-0.0113 0.0281 0.0303 ( 2901 PWs) bands (ev): -31.2484 -31.2484 -31.1736 -31.1736 -12.6705 -12.6705 -12.4405 -12.4405 -12.2426 -12.2426 -12.0838 -12.0838 -12.0594 -12.0594 -11.9308 -11.9308 -5.1638 -5.1638 -4.2808 -4.2808 1.0167 1.0167 1.1079 1.1079 1.3516 1.3516 1.4352 1.4352 1.5146 1.5146 3.6753 3.6753 6.1415 6.1415 7.4672 7.4672 7.5007 7.5007 8.0576 8.0576 8.0899 8.0899 9.0931 9.0931 10.5971 10.5971 12.0216 12.0216 13.0734 13.0735 k =-0.0056 0.0141 0.0151 ( 2905 PWs) bands (ev): -31.2485 -31.2485 -31.1736 -31.1736 -12.6706 -12.6706 -12.4397 -12.4397 -12.2428 -12.2428 -12.0825 -12.0825 -12.0601 -12.0601 -11.9302 -11.9302 -5.1658 -5.1658 -4.2824 -4.2824 1.0163 1.0163 1.1078 1.1078 1.3515 1.3515 1.4352 1.4352 1.5147 1.5147 3.6730 3.6730 6.1416 6.1416 7.4807 7.4807 7.5086 7.5086 8.0667 8.0667 8.0971 8.0971 9.0842 9.0842 10.5849 10.5849 12.0133 12.0133 13.0742 13.0742 k = 0.0000 0.0000 0.0000 ( 2905 PWs) bands (ev): -31.2486 -31.2486 -31.1736 -31.1736 -12.6706 -12.6706 -12.4395 -12.4395 -12.2428 -12.2428 -12.0821 -12.0821 -12.0604 -12.0604 -11.9301 -11.9301 -5.1665 -5.1665 -4.2829 -4.2829 1.0161 1.0161 1.1078 1.1078 1.3515 1.3515 1.4352 1.4352 1.5148 1.5148 3.6723 3.6723 6.1416 6.1416 7.4845 7.4845 7.5120 7.5120 8.0695 8.0695 8.0997 8.0997 9.0811 9.0811 10.5808 10.5808 12.0105 12.0105 13.0744 13.0744 k = 0.0000 0.0000 0.0000 ( 2905 PWs) bands (ev): -31.2486 -31.2486 -31.1736 -31.1736 -12.6706 -12.6706 -12.4395 -12.4395 -12.2428 -12.2428 -12.0821 -12.0821 -12.0604 -12.0604 -11.9301 -11.9301 -5.1665 -5.1665 -4.2829 -4.2829 1.0161 1.0161 1.1078 1.1078 1.3515 1.3515 1.4352 1.4352 1.5148 1.5148 3.6723 3.6723 6.1416 6.1416 7.4845 7.4845 7.5120 7.5120 8.0695 8.0695 8.0997 8.0997 9.0811 9.0811 10.5808 10.5808 12.0105 12.0105 13.0744 13.0745 k = 0.0200 0.0080-0.0000 ( 2905 PWs) bands (ev): -31.2486 -31.2486 -31.1736 -31.1736 -12.6705 -12.6705 -12.4396 -12.4396 -12.2428 -12.2428 -12.0821 -12.0821 -12.0604 -12.0604 -11.9300 -11.9300 -5.1659 -5.1659 -4.2837 -4.2837 1.0165 1.0165 1.1078 1.1078 1.3517 1.3517 1.4352 1.4352 1.5148 1.5148 3.6714 3.6714 6.1391 6.1391 7.4845 7.4845 7.5120 7.5120 8.0698 8.0698 8.1001 8.1001 9.0873 9.0873 10.5803 10.5803 12.0116 12.0116 13.0737 13.0737 k = 0.0400 0.0160-0.0000 ( 2905 PWs) bands (ev): -31.2485 -31.2485 -31.1736 -31.1736 -12.6703 -12.6703 -12.4398 -12.4398 -12.2427 -12.2427 -12.0821 -12.0821 -12.0605 -12.0605 -11.9300 -11.9300 -5.1639 -5.1639 -4.2858 -4.2858 1.0177 1.0177 1.1078 1.1078 1.3522 1.3522 1.4352 1.4352 1.5148 1.5148 3.6688 3.6688 6.1316 6.1316 7.4846 7.4846 7.5121 7.5121 8.0709 8.0709 8.1011 8.1011 9.1057 9.1057 10.5787 10.5787 12.0149 12.0149 13.0713 13.0713 k = 0.0600 0.0240-0.0000 ( 2905 PWs) bands (ev): -31.2485 -31.2485 -31.1736 -31.1736 -12.6699 -12.6699 -12.4402 -12.4402 -12.2426 -12.2426 -12.0821 -12.0821 -12.0607 -12.0607 -11.9300 -11.9300 -5.1608 -5.1608 -4.2893 -4.2893 1.0197 1.0197 1.1077 1.1077 1.3532 1.3532 1.4351 1.4351 1.5148 1.5148 3.6646 3.6646 6.1195 6.1195 7.4847 7.4847 7.5123 7.5123 8.0727 8.0727 8.1028 8.1028 9.1360 9.1360 10.5762 10.5762 12.0203 12.0203 13.0613 13.0617 k = 0.0800 0.0320-0.0000 ( 2905 PWs) bands (ev): -31.2485 -31.2485 -31.1736 -31.1736 -12.6694 -12.6694 -12.4407 -12.4407 -12.2425 -12.2425 -12.0822 -12.0822 -12.0610 -12.0610 -11.9299 -11.9299 -5.1563 -5.1563 -4.2942 -4.2942 1.0224 1.0224 1.1077 1.1077 1.3544 1.3544 1.4351 1.4351 1.5147 1.5147 3.6587 3.6587 6.1032 6.1032 7.4848 7.4848 7.5126 7.5126 8.0752 8.0752 8.1051 8.1051 9.1776 9.1776 10.5727 10.5727 12.0278 12.0278 13.0249 13.0252 k = 0.1000 0.0400-0.0000 ( 2922 PWs) bands (ev): -31.2485 -31.2485 -31.1737 -31.1737 -12.6688 -12.6688 -12.4415 -12.4415 -12.2423 -12.2423 -12.0823 -12.0823 -12.0614 -12.0614 -11.9299 -11.9299 -5.1507 -5.1507 -4.3004 -4.3004 1.0257 1.0257 1.1077 1.1077 1.3560 1.3560 1.4349 1.4349 1.5147 1.5147 3.6513 3.6513 6.0831 6.0831 7.4849 7.4849 7.5128 7.5128 8.0783 8.0783 8.1080 8.1080 9.2299 9.2299 10.5684 10.5684 12.0372 12.0372 12.9790 12.9793 k = 0.1200 0.0480-0.0000 ( 2914 PWs) bands (ev): -31.2484 -31.2484 -31.1737 -31.1737 -12.6680 -12.6680 -12.4423 -12.4423 -12.2421 -12.2421 -12.0823 -12.0823 -12.0617 -12.0617 -11.9298 -11.9298 -5.1439 -5.1439 -4.3079 -4.3079 1.0297 1.0297 1.1077 1.1077 1.3580 1.3580 1.4348 1.4348 1.5147 1.5147 3.6425 3.6425 6.0600 6.0600 7.4851 7.4851 7.5132 7.5132 8.0821 8.0821 8.1116 8.1116 9.2920 9.2920 10.5633 10.5633 12.0484 12.0484 12.9283 12.9304 k = 0.1400 0.0560-0.0000 ( 2914 PWs) bands (ev): -31.2483 -31.2483 -31.1738 -31.1738 -12.6671 -12.6671 -12.4433 -12.4433 -12.2418 -12.2418 -12.0824 -12.0824 -12.0622 -12.0622 -11.9297 -11.9297 -5.1360 -5.1360 -4.3166 -4.3166 1.0342 1.0342 1.1076 1.1076 1.3603 1.3603 1.4347 1.4347 1.5147 1.5147 3.6325 3.6325 6.0344 6.0344 7.4853 7.4853 7.5136 7.5136 8.0864 8.0864 8.1156 8.1156 9.3630 9.3630 10.5576 10.5576 12.0611 12.0611 12.8745 12.8748 k = 0.1600 0.0641-0.0000 ( 2914 PWs) bands (ev): -31.2483 -31.2483 -31.1739 -31.1739 -12.6661 -12.6661 -12.4444 -12.4444 -12.2416 -12.2416 -12.0825 -12.0825 -12.0627 -12.0627 -11.9296 -11.9296 -5.1270 -5.1270 -4.3265 -4.3265 1.0391 1.0391 1.1076 1.1076 1.3630 1.3630 1.4346 1.4346 1.5147 1.5147 3.6213 3.6213 6.0070 6.0070 7.4855 7.4855 7.5140 7.5140 8.0912 8.0912 8.1202 8.1202 9.4420 9.4420 10.5513 10.5513 12.0752 12.0752 12.8190 12.8190 k = 0.1800 0.0721-0.0000 ( 2902 PWs) bands (ev): -31.2482 -31.2482 -31.1739 -31.1739 -12.6650 -12.6650 -12.4454 -12.4454 -12.2412 -12.2412 -12.0825 -12.0825 -12.0631 -12.0631 -11.9295 -11.9295 -5.1170 -5.1170 -4.3373 -4.3373 1.0443 1.0443 1.1076 1.1076 1.3661 1.3661 1.4345 1.4345 1.5146 1.5146 3.6093 3.6093 5.9785 5.9785 7.4857 7.4857 7.5144 7.5144 8.0965 8.0965 8.1252 8.1252 9.5279 9.5279 10.5446 10.5446 12.0904 12.0904 12.7630 12.7631 k = 0.2000 0.0801-0.0000 ( 2906 PWs) bands (ev): -31.2481 -31.2481 -31.1740 -31.1740 -12.6638 -12.6638 -12.4467 -12.4467 -12.2410 -12.2410 -12.0827 -12.0827 -12.0637 -12.0637 -11.9294 -11.9294 -5.1062 -5.1062 -4.3492 -4.3492 1.0497 1.0497 1.1075 1.1075 1.3694 1.3694 1.4344 1.4344 1.5146 1.5146 3.5965 3.5965 5.9494 5.9494 7.4859 7.4859 7.5149 7.5149 8.1021 8.1021 8.1305 8.1305 9.6197 9.6197 10.5376 10.5376 12.1064 12.1064 12.7073 12.7074 k = 0.2200 0.0881-0.0000 ( 2910 PWs) bands (ev): -31.2480 -31.2480 -31.1741 -31.1741 -12.6626 -12.6626 -12.4481 -12.4481 -12.2406 -12.2406 -12.0828 -12.0828 -12.0643 -12.0643 -11.9292 -11.9292 -5.0946 -5.0946 -4.3618 -4.3618 1.0552 1.0552 1.1075 1.1075 1.3730 1.3730 1.4342 1.4342 1.5146 1.5146 3.5831 3.5831 5.9202 5.9202 7.4861 7.4861 7.5154 7.5154 8.1080 8.1080 8.1361 8.1361 9.7165 9.7165 10.5304 10.5304 12.1232 12.1232 12.6527 12.6527 k = 0.2400 0.0961-0.0000 ( 2902 PWs) bands (ev): -31.2479 -31.2479 -31.1742 -31.1742 -12.6612 -12.6612 -12.4494 -12.4494 -12.2403 -12.2403 -12.0828 -12.0828 -12.0649 -12.0649 -11.9291 -11.9291 -5.0822 -5.0822 -4.3752 -4.3752 1.0607 1.0607 1.1074 1.1074 1.3769 1.3769 1.4341 1.4341 1.5145 1.5145 3.5695 3.5695 5.8915 5.8915 7.4863 7.4863 7.5158 7.5158 8.1142 8.1142 8.1419 8.1419 9.8171 9.8171 10.5232 10.5232 12.1402 12.1402 12.5998 12.5999 k = 0.2600 0.1041-0.0000 ( 2894 PWs) bands (ev): -31.2479 -31.2479 -31.1742 -31.1742 -12.6599 -12.6599 -12.4508 -12.4508 -12.2399 -12.2399 -12.0829 -12.0829 -12.0655 -12.0655 -11.9290 -11.9290 -5.0694 -5.0694 -4.3891 -4.3891 1.0661 1.0661 1.1074 1.1074 1.3809 1.3809 1.4340 1.4340 1.5145 1.5145 3.5557 3.5557 5.8636 5.8636 7.4864 7.4864 7.5162 7.5162 8.1204 8.1204 8.1479 8.1479 9.9205 9.9205 10.5161 10.5161 12.1574 12.1574 12.5491 12.5491 k = 0.2800 0.1121-0.0000 ( 2894 PWs) bands (ev): -31.2478 -31.2478 -31.1744 -31.1744 -12.6586 -12.6586 -12.4521 -12.4521 -12.2397 -12.2397 -12.0831 -12.0831 -12.0660 -12.0660 -11.9288 -11.9288 -5.0561 -5.0561 -4.4034 -4.4034 1.0713 1.0713 1.1074 1.1074 1.3850 1.3850 1.4339 1.4339 1.5145 1.5145 3.5421 3.5421 5.8369 5.8369 7.4866 7.4866 7.5167 7.5167 8.1267 8.1267 8.1538 8.1538 10.0254 10.0254 10.5091 10.5091 12.1745 12.1745 12.5010 12.5010 k = 0.3000 0.1201-0.0000 ( 2890 PWs) bands (ev): -31.2477 -31.2477 -31.1744 -31.1744 -12.6573 -12.6573 -12.4535 -12.4535 -12.2394 -12.2394 -12.0832 -12.0832 -12.0666 -12.0666 -11.9287 -11.9287 -5.0425 -5.0425 -4.4179 -4.4179 1.0763 1.0763 1.1074 1.1074 1.3892 1.3892 1.4337 1.4337 1.5144 1.5144 3.5288 3.5288 5.8117 5.8117 7.4868 7.4868 7.5170 7.5170 8.1328 8.1328 8.1597 8.1597 10.1309 10.1309 10.5024 10.5024 12.1911 12.1911 12.4559 12.4559 k = 0.3200 0.1281-0.0000 ( 2890 PWs) bands (ev): -31.2476 -31.2476 -31.1745 -31.1745 -12.6560 -12.6560 -12.4548 -12.4548 -12.2391 -12.2391 -12.0833 -12.0833 -12.0672 -12.0672 -11.9285 -11.9285 -5.0289 -5.0289 -4.4324 -4.4324 1.0809 1.0809 1.1073 1.1073 1.3934 1.3934 1.4336 1.4336 1.5144 1.5144 3.5160 3.5160 5.7883 5.7883 7.4869 7.4869 7.5174 7.5174 8.1388 8.1388 8.1654 8.1654 10.2354 10.2354 10.4960 10.4960 12.2070 12.2070 12.4142 12.4142 k = 0.3400 0.1361-0.0000 ( 2902 PWs) bands (ev): -31.2475 -31.2475 -31.1746 -31.1746 -12.6549 -12.6549 -12.4561 -12.4561 -12.2388 -12.2388 -12.0834 -12.0834 -12.0678 -12.0678 -11.9285 -11.9285 -5.0155 -5.0155 -4.4466 -4.4466 1.0850 1.0850 1.1072 1.1072 1.3974 1.3974 1.4334 1.4334 1.5143 1.5143 3.5040 3.5040 5.7668 5.7668 7.4870 7.4870 7.5177 7.5177 8.1445 8.1445 8.1708 8.1708 10.3377 10.3377 10.4901 10.4901 12.2218 12.2218 12.3760 12.3760 k = 0.3600 0.1441-0.0000 ( 2910 PWs) bands (ev): -31.2475 -31.2475 -31.1747 -31.1747 -12.6537 -12.6537 -12.4573 -12.4573 -12.2385 -12.2385 -12.0835 -12.0835 -12.0683 -12.0683 -11.9285 -11.9285 -5.0026 -5.0026 -4.4604 -4.4604 1.0888 1.0888 1.1071 1.1071 1.4012 1.4012 1.4333 1.4333 1.5143 1.5143 3.4930 3.4930 5.7475 5.7475 7.4871 7.4871 7.5180 7.5180 8.1498 8.1498 8.1759 8.1759 10.4359 10.4359 10.4847 10.4847 12.2355 12.2355 12.3417 12.3417 k = 0.3800 0.1521-0.0000 ( 2922 PWs) bands (ev): -31.2474 -31.2474 -31.1747 -31.1747 -12.6527 -12.6527 -12.4585 -12.4585 -12.2383 -12.2383 -12.0836 -12.0836 -12.0688 -12.0688 -11.9284 -11.9284 -4.9903 -4.9903 -4.4733 -4.4733 1.0921 1.0921 1.1071 1.1071 1.4047 1.4047 1.4331 1.4331 1.5142 1.5142 3.4830 3.4830 5.7304 5.7304 7.4871 7.4871 7.5182 7.5182 8.1546 8.1546 8.1805 8.1805 10.4799 10.4799 10.5284 10.5284 12.2479 12.2479 12.3114 12.3114 k = 0.4000 0.1601-0.0000 ( 2922 PWs) bands (ev): -31.2474 -31.2474 -31.1748 -31.1748 -12.6518 -12.6518 -12.4595 -12.4595 -12.2381 -12.2381 -12.0837 -12.0837 -12.0692 -12.0692 -11.9284 -11.9284 -4.9791 -4.9791 -4.4852 -4.4852 1.0950 1.0950 1.1071 1.1071 1.4079 1.4079 1.4330 1.4330 1.5142 1.5142 3.4743 3.4743 5.7159 5.7159 7.4872 7.4872 7.5184 7.5184 8.1588 8.1588 8.1845 8.1845 10.4758 10.4758 10.6129 10.6129 12.2586 12.2586 12.2856 12.2856 k = 0.4200 0.1681-0.0000 ( 2918 PWs) bands (ev): -31.2473 -31.2473 -31.1748 -31.1748 -12.6509 -12.6509 -12.4603 -12.4603 -12.2379 -12.2379 -12.0837 -12.0837 -12.0695 -12.0695 -11.9283 -11.9283 -4.9692 -4.9692 -4.4955 -4.4955 1.0973 1.0973 1.1070 1.1070 1.4106 1.4106 1.4330 1.4330 1.5142 1.5142 3.4670 3.4670 5.7038 5.7038 7.4872 7.4872 7.5186 7.5186 8.1624 8.1624 8.1879 8.1879 10.4723 10.4723 10.6872 10.6872 12.2642 12.2642 12.2674 12.2674 k = 0.4400 0.1762-0.0000 ( 2918 PWs) bands (ev): -31.2473 -31.2473 -31.1749 -31.1749 -12.6503 -12.6503 -12.4609 -12.4609 -12.2378 -12.2378 -12.0838 -12.0838 -12.0698 -12.0698 -11.9282 -11.9282 -4.9611 -4.9611 -4.5041 -4.5041 1.0992 1.0992 1.1070 1.1070 1.4128 1.4128 1.4329 1.4329 1.5141 1.5141 3.4612 3.4612 5.6944 5.6944 7.4873 7.4873 7.5187 7.5187 8.1652 8.1652 8.1907 8.1907 10.4696 10.4696 10.7488 10.7488 12.2474 12.2474 12.2703 12.2703 k = 0.4600 0.1842-0.0000 ( 2918 PWs) bands (ev): -31.2473 -31.2473 -31.1749 -31.1749 -12.6499 -12.6499 -12.4614 -12.4614 -12.2377 -12.2377 -12.0838 -12.0838 -12.0699 -12.0699 -11.9282 -11.9282 -4.9550 -4.9550 -4.5104 -4.5104 1.1005 1.1005 1.1070 1.1070 1.4145 1.4145 1.4329 1.4329 1.5141 1.5141 3.4570 3.4570 5.6876 5.6876 7.4873 7.4873 7.5188 7.5188 8.1673 8.1673 8.1927 8.1927 10.4676 10.4676 10.7950 10.7950 12.2354 12.2354 12.2603 12.2603 k = 0.4800 0.1922-0.0000 ( 2910 PWs) bands (ev): -31.2472 -31.2472 -31.1749 -31.1749 -12.6496 -12.6496 -12.4617 -12.4617 -12.2376 -12.2376 -12.0838 -12.0838 -12.0700 -12.0700 -11.9282 -11.9282 -4.9512 -4.9512 -4.5144 -4.5144 1.1013 1.1013 1.1070 1.1070 1.4155 1.4155 1.4329 1.4329 1.5142 1.5142 3.4544 3.4544 5.6835 5.6835 7.4873 7.4873 7.5189 7.5189 8.1686 8.1686 8.1939 8.1939 10.4664 10.4664 10.8238 10.8238 12.2281 12.2281 12.2533 12.2533 k = 0.5000 0.2002-0.0000 ( 2914 PWs) bands (ev): -31.2472 -31.2472 -31.1749 -31.1749 -12.6495 -12.6495 -12.4618 -12.4618 -12.2376 -12.2376 -12.0838 -12.0838 -12.0701 -12.0701 -11.9282 -11.9282 -4.9499 -4.9499 -4.5157 -4.5157 1.1016 1.1016 1.1070 1.1070 1.4158 1.4158 1.4329 1.4329 1.5141 1.5141 3.4536 3.4536 5.6821 5.6821 7.4873 7.4873 7.5189 7.5189 8.1690 8.1690 8.1943 8.1943 10.4660 10.4660 10.8336 10.8336 12.2257 12.2257 12.2510 12.2510 k = 0.5000 0.2002-0.0000 ( 2914 PWs) bands (ev): -31.2472 -31.2472 -31.1749 -31.1749 -12.6495 -12.6495 -12.4618 -12.4618 -12.2376 -12.2376 -12.0838 -12.0838 -12.0701 -12.0701 -11.9282 -11.9282 -4.9499 -4.9499 -4.5157 -4.5157 1.1016 1.1016 1.1070 1.1070 1.4158 1.4158 1.4329 1.4329 1.5141 1.5141 3.4536 3.4536 5.6821 5.6821 7.4873 7.4873 7.5189 7.5189 8.1690 8.1690 8.1943 8.1943 10.4660 10.4660 10.8336 10.8336 12.2257 12.2257 12.2510 12.2510 k = 0.4944 0.2142 0.0151 ( 2914 PWs) bands (ev): -31.2472 -31.2472 -31.1749 -31.1749 -12.6495 -12.6495 -12.4620 -12.4620 -12.2376 -12.2376 -12.0845 -12.0845 -12.0696 -12.0696 -11.9283 -11.9283 -4.9495 -4.9495 -4.5150 -4.5150 1.1016 1.1016 1.1071 1.1071 1.4159 1.4159 1.4328 1.4328 1.5141 1.5141 3.4542 3.4542 5.6821 5.6821 7.4845 7.4845 7.5163 7.5163 8.1665 8.1665 8.1918 8.1918 10.4700 10.4700 10.8327 10.8327 12.2251 12.2251 12.2505 12.2505 k = 0.4888 0.2282 0.0302 ( 2910 PWs) bands (ev): -31.2471 -31.2471 -31.1749 -31.1749 -12.6495 -12.6495 -12.4627 -12.4627 -12.2375 -12.2375 -12.0862 -12.0862 -12.0684 -12.0684 -11.9288 -11.9288 -4.9480 -4.9480 -4.5129 -4.5129 1.1018 1.1018 1.1072 1.1072 1.4161 1.4161 1.4328 1.4328 1.5139 1.5139 3.4563 3.4563 5.6819 5.6819 7.4752 7.4752 7.5093 7.5093 8.1582 8.1582 8.1849 8.1849 10.4818 10.4818 10.8301 10.8301 12.2227 12.2227 12.2498 12.2498 k = 0.4832 0.2422 0.0453 ( 2908 PWs) bands (ev): -31.2468 -31.2468 -31.1749 -31.1749 -12.6495 -12.6495 -12.4639 -12.4639 -12.2373 -12.2373 -12.0886 -12.0886 -12.0669 -12.0669 -11.9297 -11.9297 -4.9455 -4.9455 -4.5094 -4.5094 1.1020 1.1020 1.1074 1.1074 1.4165 1.4165 1.4327 1.4327 1.5137 1.5137 3.4596 3.4596 5.6816 5.6816 7.4574 7.4574 7.5004 7.5004 8.1431 8.1431 8.1749 8.1749 10.5009 10.5009 10.8257 10.8257 12.2171 12.2171 12.2505 12.2505 k = 0.4776 0.2562 0.0604 ( 2908 PWs) bands (ev): -31.2465 -31.2465 -31.1749 -31.1749 -12.6495 -12.6495 -12.4655 -12.4655 -12.2372 -12.2372 -12.0914 -12.0914 -12.0654 -12.0654 -11.9309 -11.9309 -4.9421 -4.9421 -4.5045 -4.5045 1.1024 1.1024 1.1077 1.1077 1.4171 1.4171 1.4326 1.4326 1.5133 1.5133 3.4644 3.4644 5.6811 5.6811 7.4304 7.4304 7.4907 7.4907 8.1206 8.1206 8.1629 8.1629 10.5268 10.5268 10.8199 10.8199 12.2076 12.2076 12.2536 12.2536 k = 0.4720 0.2702 0.0755 ( 2920 PWs) bands (ev): -31.2462 -31.2462 -31.1750 -31.1750 -12.6495 -12.6495 -12.4676 -12.4676 -12.2370 -12.2370 -12.0947 -12.0947 -12.0639 -12.0639 -11.9325 -11.9325 -4.9378 -4.9378 -4.4982 -4.4982 1.1027 1.1027 1.1080 1.1080 1.4178 1.4178 1.4325 1.4325 1.5128 1.5128 3.4704 3.4704 5.6806 5.6806 7.3949 7.3949 7.4800 7.4800 8.0909 8.0909 8.1490 8.1490 10.5580 10.5580 10.8132 10.8132 12.1947 12.1947 12.2590 12.2590 k = 0.4663 0.2842 0.0905 ( 2916 PWs) bands (ev): -31.2457 -31.2457 -31.1750 -31.1750 -12.6495 -12.6495 -12.4701 -12.4701 -12.2367 -12.2367 -12.0980 -12.0980 -12.0624 -12.0624 -11.9343 -11.9343 -4.9325 -4.9325 -4.4906 -4.4906 1.1031 1.1031 1.1085 1.1085 1.4187 1.4187 1.4323 1.4323 1.5122 1.5122 3.4778 3.4778 5.6798 5.6798 7.3519 7.3519 7.4679 7.4679 8.0549 8.0549 8.1330 8.1330 10.5924 10.5924 10.8071 10.8071 12.1794 12.1794 12.2663 12.2663 k = 0.4607 0.2982 0.1056 ( 2916 PWs) bands (ev): -31.2451 -31.2451 -31.1750 -31.1750 -12.6496 -12.6496 -12.4730 -12.4730 -12.2364 -12.2364 -12.1016 -12.1016 -12.0612 -12.0612 -11.9363 -11.9363 -4.9263 -4.9263 -4.4817 -4.4817 1.1035 1.1035 1.1091 1.1091 1.4197 1.4197 1.4322 1.4322 1.5116 1.5116 3.4864 3.4864 5.6789 5.6789 7.3024 7.3024 7.4543 7.4543 8.0134 8.0134 8.1149 8.1149 10.6252 10.6252 10.8054 10.8054 12.1623 12.1623 12.2756 12.2756 k = 0.4551 0.3123 0.1207 ( 2908 PWs) bands (ev): -31.2445 -31.2445 -31.1750 -31.1750 -12.6496 -12.6496 -12.4764 -12.4764 -12.2360 -12.2360 -12.1053 -12.1053 -12.0601 -12.0601 -11.9385 -11.9385 -4.9192 -4.9192 -4.4716 -4.4716 1.1039 1.1039 1.1099 1.1099 1.4209 1.4209 1.4320 1.4320 1.5109 1.5109 3.4964 3.4964 5.6779 5.6779 7.2471 7.2471 7.4391 7.4391 7.9670 7.9670 8.0948 8.0948 10.6480 10.6480 10.8159 10.8159 12.1443 12.1443 12.2866 12.2866 k = 0.4495 0.3263 0.1358 ( 2908 PWs) bands (ev): -31.2438 -31.2438 -31.1751 -31.1751 -12.6497 -12.6497 -12.4801 -12.4801 -12.2357 -12.2357 -12.1092 -12.1092 -12.0592 -12.0592 -11.9410 -11.9410 -4.9114 -4.9114 -4.4602 -4.4602 1.1043 1.1043 1.1107 1.1107 1.4223 1.4223 1.4319 1.4319 1.5102 1.5102 3.5076 3.5076 5.6766 5.6766 7.1870 7.1870 7.4224 7.4224 7.9165 7.9165 8.0726 8.0726 10.6521 10.6521 10.8462 10.8462 12.1261 12.1261 12.2994 12.2994 k = 0.4439 0.3403 0.1509 ( 2892 PWs) bands (ev): -31.2430 -31.2430 -31.1751 -31.1751 -12.6498 -12.6498 -12.4843 -12.4843 -12.2353 -12.2353 -12.1130 -12.1130 -12.0584 -12.0584 -11.9434 -11.9434 -4.9027 -4.9027 -4.4477 -4.4477 1.1046 1.1046 1.1116 1.1116 1.4238 1.4238 1.4318 1.4318 1.5095 1.5095 3.5200 3.5200 5.6751 5.6751 7.1225 7.1225 7.4041 7.4041 7.8624 7.8624 8.0485 8.0485 10.6384 10.6384 10.8947 10.8947 12.1084 12.1084 12.3140 12.3140 k = 0.4383 0.3543 0.1660 ( 2892 PWs) bands (ev): -31.2421 -31.2421 -31.1751 -31.1751 -12.6500 -12.6500 -12.4888 -12.4888 -12.2351 -12.2351 -12.1171 -12.1171 -12.0579 -12.0579 -11.9461 -11.9461 -4.8933 -4.8933 -4.4340 -4.4340 1.1049 1.1049 1.1125 1.1125 1.4253 1.4253 1.4319 1.4319 1.5087 1.5087 3.5336 3.5336 5.6735 5.6735 7.0545 7.0545 7.3845 7.3845 7.8055 7.8055 8.0228 8.0228 10.6127 10.6127 10.9548 10.9548 12.0918 12.0918 12.3304 12.3304 k = 0.4327 0.3683 0.1811 ( 2892 PWs) bands (ev): -31.2412 -31.2412 -31.1752 -31.1752 -12.6502 -12.6502 -12.4938 -12.4938 -12.2348 -12.2348 -12.1212 -12.1212 -12.0576 -12.0576 -11.9488 -11.9488 -4.8832 -4.8832 -4.4193 -4.4193 1.1052 1.1052 1.1134 1.1134 1.4268 1.4268 1.4321 1.4321 1.5079 1.5079 3.5484 3.5484 5.6715 5.6715 6.9836 6.9836 7.3635 7.3635 7.7462 7.7462 7.9955 7.9955 10.5786 10.5786 11.0224 11.0224 12.0767 12.0767 12.3487 12.3487 k = 0.4271 0.3823 0.1962 ( 2884 PWs) bands (ev): -31.2401 -31.2401 -31.1753 -31.1753 -12.6505 -12.6505 -12.4990 -12.4990 -12.2346 -12.2346 -12.1253 -12.1253 -12.0574 -12.0574 -11.9515 -11.9515 -4.8724 -4.8724 -4.4037 -4.4037 1.1054 1.1054 1.1143 1.1143 1.4278 1.4278 1.4330 1.4330 1.5072 1.5072 3.5643 3.5643 5.6694 5.6694 6.9102 6.9102 7.3414 7.3414 7.6852 7.6852 7.9669 7.9669 10.5379 10.5379 11.0952 11.0952 12.0638 12.0638 12.3688 12.3688 k = 0.4215 0.3963 0.2113 ( 2892 PWs) bands (ev): -31.2391 -31.2391 -31.1754 -31.1754 -12.6509 -12.6509 -12.5046 -12.5046 -12.2345 -12.2345 -12.1296 -12.1296 -12.0575 -12.0575 -11.9542 -11.9542 -4.8610 -4.8610 -4.3871 -4.3871 1.1056 1.1056 1.1151 1.1151 1.4283 1.4283 1.4344 1.4344 1.5065 1.5065 3.5813 3.5813 5.6669 5.6669 6.8349 6.8349 7.3182 7.3182 7.6229 7.6229 7.9371 7.9371 10.4916 10.4916 11.1718 11.1718 12.0533 12.0533 12.3908 12.3908 k = 0.4159 0.4103 0.2264 ( 2884 PWs) bands (ev): -31.2379 -31.2379 -31.1755 -31.1755 -12.6514 -12.6514 -12.5104 -12.5104 -12.2344 -12.2344 -12.1338 -12.1338 -12.0575 -12.0575 -11.9568 -11.9568 -4.8491 -4.8491 -4.3697 -4.3697 1.1058 1.1058 1.1158 1.1158 1.4284 1.4284 1.4365 1.4365 1.5060 1.5060 3.5994 3.5994 5.6642 5.6642 6.7583 6.7583 7.2940 7.2940 7.5599 7.5599 7.9065 7.9065 10.4403 10.4403 11.2513 11.2513 12.0456 12.0456 12.4147 12.4147 k = 0.4103 0.4243 0.2415 ( 2890 PWs) bands (ev): -31.2367 -31.2367 -31.1757 -31.1757 -12.6520 -12.6520 -12.5165 -12.5165 -12.2345 -12.2345 -12.1381 -12.1381 -12.0578 -12.0578 -11.9594 -11.9594 -4.8367 -4.8367 -4.3515 -4.3515 1.1060 1.1060 1.1164 1.1164 1.4282 1.4282 1.4388 1.4388 1.5055 1.5055 3.6184 3.6184 5.6611 5.6611 6.6808 6.6808 7.2691 7.2691 7.4966 7.4966 7.8750 7.8750 10.3845 10.3845 11.3329 11.3329 12.0409 12.0409 12.4405 12.4405 k = 0.4046 0.4383 0.2565 ( 2890 PWs) bands (ev): -31.2354 -31.2354 -31.1758 -31.1758 -12.6527 -12.6527 -12.5229 -12.5229 -12.2346 -12.2346 -12.1424 -12.1424 -12.0580 -12.0580 -11.9620 -11.9620 -4.8239 -4.8239 -4.3326 -4.3326 1.1061 1.1061 1.1168 1.1168 1.4279 1.4279 1.4413 1.4413 1.5054 1.5054 3.6383 3.6383 5.6577 5.6577 6.6027 6.6027 7.2436 7.2436 7.4334 7.4334 7.8430 7.8430 10.3247 10.3247 11.4159 11.4159 12.0397 12.0397 12.4683 12.4683 k = 0.3990 0.4524 0.2716 ( 2886 PWs) bands (ev): -31.2341 -31.2341 -31.1760 -31.1760 -12.6534 -12.6534 -12.5294 -12.5294 -12.2348 -12.2348 -12.1467 -12.1467 -12.0582 -12.0582 -11.9644 -11.9644 -4.8108 -4.8108 -4.3131 -4.3131 1.1063 1.1063 1.1171 1.1171 1.4276 1.4276 1.4439 1.4439 1.5055 1.5055 3.6590 3.6590 5.6540 5.6540 6.5244 6.5244 7.2175 7.2175 7.3706 7.3706 7.8106 7.8106 10.2615 10.2615 11.4995 11.4995 12.0422 12.0422 12.4979 12.4979 k = 0.3934 0.4664 0.2867 ( 2890 PWs) bands (ev): -31.2328 -31.2328 -31.1762 -31.1762 -12.6543 -12.6543 -12.5362 -12.5362 -12.2351 -12.2351 -12.1510 -12.1510 -12.0585 -12.0585 -11.9668 -11.9668 -4.7973 -4.7973 -4.2932 -4.2932 1.1064 1.1064 1.1171 1.1171 1.4272 1.4272 1.4463 1.4463 1.5059 1.5059 3.6806 3.6806 5.6500 5.6500 6.4464 6.4464 7.1910 7.1910 7.3087 7.3087 7.7780 7.7780 10.1953 10.1953 11.5821 11.5821 12.0493 12.0493 12.5295 12.5295 k = 0.3878 0.4804 0.3018 ( 2896 PWs) bands (ev): -31.2314 -31.2314 -31.1764 -31.1764 -12.6553 -12.6553 -12.5431 -12.5431 -12.2356 -12.2356 -12.1553 -12.1553 -12.0587 -12.0587 -11.9690 -11.9690 -4.7837 -4.7837 -4.2728 -4.2728 1.1064 1.1064 1.1170 1.1170 1.4267 1.4267 1.4486 1.4486 1.5067 1.5067 3.7028 3.7028 5.6456 5.6456 6.3689 6.3689 7.1643 7.1643 7.2480 7.2480 7.7453 7.7453 10.1268 10.1268 11.6619 11.6619 12.0622 12.0622 12.5630 12.5630 k = 0.3822 0.4944 0.3169 ( 2892 PWs) bands (ev): -31.2299 -31.2299 -31.1767 -31.1767 -12.6564 -12.6564 -12.5500 -12.5500 -12.2360 -12.2360 -12.1596 -12.1596 -12.0588 -12.0588 -11.9712 -11.9712 -4.7699 -4.7699 -4.2521 -4.2521 1.1064 1.1064 1.1167 1.1167 1.4263 1.4263 1.4508 1.4508 1.5081 1.5081 3.7257 3.7257 5.6409 5.6409 6.2922 6.2922 7.1374 7.1374 7.1887 7.1887 7.7128 7.7128 10.0564 10.0564 11.7363 11.7363 12.0832 12.0832 12.5983 12.5983 k = 0.3766 0.5084 0.3320 ( 2894 PWs) bands (ev): -31.2284 -31.2284 -31.1770 -31.1770 -12.6577 -12.6577 -12.5571 -12.5571 -12.2366 -12.2366 -12.1638 -12.1638 -12.0587 -12.0587 -11.9733 -11.9733 -4.7561 -4.7561 -4.2311 -4.2311 1.1064 1.1064 1.1162 1.1162 1.4258 1.4258 1.4526 1.4526 1.5100 1.5100 3.7491 3.7491 5.6359 5.6359 6.2166 6.2166 7.1104 7.1104 7.1313 7.1313 7.6805 7.6805 9.9848 9.9848 11.8014 11.8014 12.1154 12.1154 12.6355 12.6355 k = 0.3710 0.5224 0.3471 ( 2892 PWs) bands (ev): -31.2269 -31.2269 -31.1773 -31.1773 -12.6590 -12.6590 -12.5642 -12.5642 -12.2372 -12.2372 -12.1680 -12.1680 -12.0585 -12.0585 -11.9754 -11.9754 -4.7422 -4.7422 -4.2100 -4.2100 1.1063 1.1063 1.1156 1.1156 1.4253 1.4253 1.4541 1.4541 1.5124 1.5124 3.7730 3.7730 5.6305 5.6305 6.1423 6.1423 7.0742 7.0742 7.0851 7.0851 7.6487 7.6487 9.9124 9.9124 11.8536 11.8536 12.1618 12.1618 12.6745 12.6745 k = 0.3654 0.5364 0.3622 ( 2890 PWs) bands (ev): -31.2253 -31.2253 -31.1776 -31.1776 -12.6604 -12.6604 -12.5714 -12.5714 -12.2379 -12.2379 -12.1721 -12.1721 -12.0582 -12.0582 -11.9773 -11.9773 -4.7285 -4.7285 -4.1889 -4.1889 1.1062 1.1062 1.1148 1.1148 1.4248 1.4248 1.4553 1.4553 1.5154 1.5154 3.7973 3.7973 5.6249 5.6249 6.0697 6.0697 7.0212 7.0212 7.0582 7.0582 7.6174 7.6174 9.8398 9.8398 11.8921 11.8921 12.2225 12.2225 12.7152 12.7152 k = 0.3598 0.5504 0.3773 ( 2886 PWs) bands (ev): -31.2238 -31.2238 -31.1780 -31.1780 -12.6620 -12.6620 -12.5785 -12.5785 -12.2386 -12.2386 -12.1762 -12.1762 -12.0576 -12.0576 -11.9792 -11.9792 -4.7149 -4.7149 -4.1678 -4.1678 1.1060 1.1060 1.1139 1.1139 1.4243 1.4243 1.4561 1.4561 1.5189 1.5189 3.8219 3.8219 5.6190 5.6190 5.9988 5.9988 6.9698 6.9698 7.0321 7.0321 7.5868 7.5868 9.7675 9.7675 11.9190 11.9190 12.2944 12.2944 12.7576 12.7576 k = 0.3542 0.5644 0.3924 ( 2888 PWs) bands (ev): -31.2222 -31.2222 -31.1784 -31.1784 -12.6636 -12.6636 -12.5855 -12.5855 -12.2393 -12.2393 -12.1802 -12.1802 -12.0570 -12.0570 -11.9812 -11.9812 -4.7015 -4.7015 -4.1468 -4.1468 1.1055 1.1055 1.1130 1.1130 1.4237 1.4237 1.4566 1.4566 1.5228 1.5228 3.8466 3.8466 5.6129 5.6129 5.9299 5.9299 6.9208 6.9208 7.0066 7.0066 7.5571 7.5571 9.6958 9.6958 11.9379 11.9379 12.3734 12.3734 12.8016 12.8016 k = 0.3486 0.5784 0.4075 ( 2884 PWs) bands (ev): -31.2205 -31.2205 -31.1789 -31.1789 -12.6652 -12.6652 -12.5925 -12.5925 -12.2400 -12.2400 -12.1841 -12.1841 -12.0561 -12.0561 -11.9831 -11.9831 -4.6885 -4.6885 -4.1261 -4.1261 1.1049 1.1049 1.1121 1.1121 1.4231 1.4231 1.4569 1.4569 1.5270 1.5270 3.8715 3.8715 5.6067 5.6067 5.8631 5.8631 6.8743 6.8743 6.9818 6.9818 7.5282 7.5282 9.6254 9.6254 11.9513 11.9513 12.4559 12.4559 12.8472 12.8472 k = 0.3430 0.5925 0.4225 ( 2881 PWs) bands (ev): -31.2189 -31.2189 -31.1794 -31.1794 -12.6670 -12.6670 -12.5993 -12.5993 -12.2406 -12.2406 -12.1880 -12.1880 -12.0550 -12.0550 -11.9849 -11.9849 -4.6758 -4.6758 -4.1057 -4.1057 1.1040 1.1040 1.1114 1.1114 1.4226 1.4226 1.4569 1.4569 1.5315 1.5315 3.8964 3.8964 5.6004 5.6004 5.7986 5.7986 6.8303 6.8303 6.9578 6.9578 7.5004 7.5004 9.5565 9.5565 11.9608 11.9608 12.5394 12.5394 12.8943 12.8943 k = 0.3373 0.6065 0.4376 ( 2883 PWs) bands (ev): -31.2173 -31.2173 -31.1800 -31.1800 -12.6687 -12.6687 -12.6061 -12.6061 -12.2412 -12.2412 -12.1917 -12.1917 -12.0538 -12.0538 -11.9868 -11.9868 -4.6637 -4.6637 -4.0858 -4.0858 1.1029 1.1029 1.1107 1.1107 1.4219 1.4219 1.4567 1.4567 1.5361 1.5361 3.9212 3.9212 5.5940 5.5940 5.7366 5.7366 6.7889 6.7889 6.9345 6.9345 7.4738 7.4738 9.4897 9.4897 11.9673 11.9673 12.6218 12.6218 12.9427 12.9427 k = 0.3317 0.6205 0.4527 ( 2883 PWs) bands (ev): -31.2156 -31.2156 -31.1806 -31.1806 -12.6704 -12.6704 -12.6126 -12.6126 -12.2416 -12.2416 -12.1954 -12.1954 -12.0523 -12.0523 -11.9886 -11.9886 -4.6520 -4.6520 -4.0663 -4.0663 1.1015 1.1015 1.1102 1.1102 1.4213 1.4213 1.4565 1.4565 1.5407 1.5407 3.9460 3.9460 5.5877 5.5877 5.6773 5.6773 6.7501 6.7501 6.9122 6.9122 7.4484 7.4484 9.4254 9.4254 11.9713 11.9713 12.7016 12.7016 12.9924 12.9924 k = 0.3261 0.6345 0.4678 ( 2895 PWs) bands (ev): -31.2140 -31.2140 -31.1812 -31.1812 -12.6721 -12.6721 -12.6191 -12.6191 -12.2420 -12.2420 -12.1991 -12.1991 -12.0508 -12.0508 -11.9906 -11.9906 -4.6410 -4.6410 -4.0475 -4.0475 1.0999 1.0999 1.1098 1.1098 1.4207 1.4207 1.4561 1.4561 1.5451 1.5451 3.9706 3.9706 5.5804 5.5804 5.6216 5.6216 6.7139 6.7139 6.8909 6.8909 7.4242 7.4242 9.3639 9.3639 11.9730 11.9730 12.7774 12.7774 13.0433 13.0433 k = 0.3205 0.6485 0.4829 ( 2899 PWs) bands (ev): -31.2123 -31.2123 -31.1819 -31.1819 -12.6737 -12.6737 -12.6252 -12.6252 -12.2423 -12.2423 -12.2026 -12.2026 -12.0491 -12.0491 -11.9925 -11.9925 -4.6306 -4.6306 -4.0293 -4.0293 1.0981 1.0981 1.1094 1.1094 1.4201 1.4201 1.4557 1.4557 1.5495 1.5495 3.9951 3.9951 5.5583 5.5583 5.5837 5.5837 6.6804 6.6804 6.8707 6.8707 7.4015 7.4015 9.3055 9.3055 11.9726 11.9726 12.8481 12.8481 13.0954 13.0954 k = 0.3149 0.6625 0.4980 ( 2899 PWs) bands (ev): -31.2107 -31.2107 -31.1826 -31.1826 -12.6752 -12.6752 -12.6311 -12.6311 -12.2423 -12.2423 -12.2060 -12.2060 -12.0472 -12.0472 -11.9945 -11.9945 -4.6209 -4.6209 -4.0119 -4.0119 1.0963 1.0963 1.1092 1.1092 1.4196 1.4196 1.4552 1.4552 1.5536 1.5536 4.0193 4.0193 5.5099 5.5099 5.5753 5.5753 6.6494 6.6494 6.8516 6.8516 7.3802 7.3802 9.2507 9.2507 11.9701 11.9701 12.9126 12.9126 13.1484 13.1484 k = 0.3093 0.6765 0.5131 ( 2893 PWs) bands (ev): -31.2091 -31.2091 -31.1834 -31.1834 -12.6765 -12.6765 -12.6367 -12.6367 -12.2422 -12.2422 -12.2093 -12.2093 -12.0453 -12.0453 -11.9965 -11.9965 -4.6121 -4.6121 -3.9954 -3.9954 1.0945 1.0945 1.1090 1.1090 1.4190 1.4190 1.4546 1.4546 1.5574 1.5574 4.0434 4.0434 5.4609 5.4609 5.5707 5.5707 6.6209 6.6209 6.8338 6.8338 7.3604 7.3604 9.1998 9.1998 11.9656 11.9656 12.9707 12.9707 13.2023 13.2023 k = 0.3037 0.6905 0.5282 ( 2897 PWs) bands (ev): -31.2075 -31.2075 -31.1842 -31.1842 -12.6778 -12.6778 -12.6421 -12.6421 -12.2420 -12.2420 -12.2125 -12.2125 -12.0432 -12.0432 -11.9985 -11.9985 -4.6042 -4.6042 -3.9797 -3.9797 1.0927 1.0927 1.1088 1.1088 1.4185 1.4185 1.4541 1.4541 1.5608 1.5608 4.0673 4.0673 5.4139 5.4139 5.5674 5.5674 6.5948 6.5948 6.8174 6.8174 7.3422 7.3422 9.1530 9.1530 11.9590 11.9590 13.0221 13.0221 13.2569 13.2569 k = 0.2981 0.7045 0.5433 ( 2897 PWs) bands (ev): -31.2059 -31.2059 -31.1851 -31.1851 -12.6788 -12.6788 -12.6471 -12.6471 -12.2416 -12.2416 -12.2156 -12.2156 -12.0410 -12.0410 -12.0006 -12.0006 -4.5971 -4.5971 -3.9651 -3.9651 1.0910 1.0910 1.1086 1.1086 1.4180 1.4180 1.4535 1.4535 1.5638 1.5638 4.0911 4.0911 5.3691 5.3691 5.5653 5.5653 6.5710 6.5710 6.8022 6.8022 7.3257 7.3257 9.1106 9.1106 11.9504 11.9504 13.0672 13.0672 13.3122 13.3122 k = 0.2925 0.7185 0.5584 ( 2889 PWs) bands (ev): -31.2043 -31.2043 -31.1860 -31.1860 -12.6796 -12.6796 -12.6517 -12.6517 -12.2409 -12.2409 -12.2186 -12.2186 -12.0388 -12.0388 -12.0027 -12.0027 -4.5911 -4.5911 -3.9515 -3.9515 1.0893 1.0893 1.1085 1.1085 1.4176 1.4176 1.4528 1.4528 1.5662 1.5662 4.1148 4.1148 5.3266 5.3266 5.5645 5.5645 6.5495 6.5495 6.7886 6.7886 7.3108 7.3108 9.0729 9.0729 11.9401 11.9401 13.1071 13.1071 13.3679 13.3679 k = 0.2869 0.7325 0.5735 ( 2885 PWs) bands (ev): -31.2027 -31.2027 -31.1870 -31.1870 -12.6802 -12.6802 -12.6560 -12.6560 -12.2402 -12.2402 -12.2215 -12.2215 -12.0365 -12.0365 -12.0049 -12.0049 -4.5860 -4.5860 -3.9390 -3.9390 1.0878 1.0878 1.1083 1.1083 1.4172 1.4172 1.4522 1.4522 1.5682 1.5682 4.1385 4.1385 5.2862 5.2862 5.5651 5.5651 6.5300 6.5300 6.7764 6.7764 7.2976 7.2976 9.0400 9.0400 11.9280 11.9280 13.1425 13.1425 13.4239 13.4239 k = 0.2813 0.7466 0.5885 ( 2893 PWs) bands (ev): -31.2012 -31.2012 -31.1880 -31.1880 -12.6807 -12.6807 -12.6599 -12.6599 -12.2393 -12.2393 -12.2242 -12.2242 -12.0342 -12.0342 -12.0071 -12.0071 -4.5821 -4.5821 -3.9277 -3.9277 1.0863 1.0863 1.1081 1.1081 1.4169 1.4169 1.4515 1.4515 1.5695 1.5695 4.1622 4.1622 5.2478 5.2478 5.5672 5.5672 6.5127 6.5127 6.7657 6.7657 7.2862 7.2862 9.0121 9.0121 11.9144 11.9144 13.1746 13.1746 13.4801 13.4802 k = 0.2756 0.7606 0.6036 ( 2889 PWs) bands (ev): -31.1997 -31.1997 -31.1891 -31.1891 -12.6808 -12.6808 -12.6633 -12.6633 -12.2383 -12.2383 -12.2267 -12.2267 -12.0318 -12.0318 -12.0093 -12.0093 -4.5792 -4.5792 -3.9175 -3.9175 1.0851 1.0851 1.1080 1.1080 1.4166 1.4166 1.4507 1.4507 1.5701 1.5701 4.1861 4.1861 5.2114 5.2114 5.5710 5.5710 6.4972 6.4972 6.7565 6.7565 7.2765 7.2765 8.9894 8.9894 11.8994 11.8994 13.2044 13.2044 13.4610 13.4610 k = 0.2700 0.7746 0.6187 ( 2889 PWs) bands (ev): -31.1983 -31.1983 -31.1902 -31.1902 -12.6809 -12.6809 -12.6661 -12.6661 -12.2373 -12.2373 -12.2290 -12.2290 -12.0294 -12.0294 -12.0116 -12.0116 -4.5775 -4.5775 -3.9087 -3.9087 1.0839 1.0839 1.1078 1.1078 1.4164 1.4164 1.4500 1.4500 1.5702 1.5702 4.2101 4.2101 5.1769 5.1769 5.5765 5.5765 6.4836 6.4836 6.7490 6.7490 7.2686 7.2686 8.9719 8.9719 11.8834 11.8834 13.2329 13.2329 13.4171 13.4171 k = 0.2700 0.7746 0.6187 ( 2889 PWs) bands (ev): -31.1983 -31.1983 -31.1902 -31.1902 -12.6809 -12.6809 -12.6661 -12.6661 -12.2373 -12.2373 -12.2290 -12.2290 -12.0294 -12.0294 -12.0116 -12.0116 -4.5775 -4.5775 -3.9087 -3.9087 1.0839 1.0839 1.1078 1.1078 1.4164 1.4164 1.4500 1.4500 1.5702 1.5702 4.2101 4.2101 5.1769 5.1769 5.5765 5.5765 6.4836 6.4836 6.7490 6.7490 7.2686 7.2686 8.9719 8.9719 11.8834 11.8834 13.2329 13.2329 13.4171 13.4171 k = 0.2493 0.7707 0.6229 ( 2891 PWs) bands (ev): -31.1979 -31.1979 -31.1905 -31.1905 -12.6810 -12.6810 -12.6668 -12.6668 -12.2371 -12.2371 -12.2295 -12.2295 -12.0288 -12.0288 -12.0122 -12.0122 -4.5773 -4.5773 -3.9064 -3.9064 1.0836 1.0836 1.1078 1.1078 1.4163 1.4163 1.4497 1.4497 1.5700 1.5700 4.2182 4.2182 5.1600 5.1600 5.5867 5.5867 6.4782 6.4782 6.7472 6.7472 7.2667 7.2667 8.9682 8.9682 11.8779 11.8779 13.2401 13.2401 13.4061 13.4061 k = 0.2285 0.7669 0.6270 ( 2889 PWs) bands (ev): -31.1975 -31.1975 -31.1908 -31.1908 -12.6809 -12.6809 -12.6674 -12.6674 -12.2369 -12.2369 -12.2299 -12.2299 -12.0281 -12.0281 -12.0128 -12.0128 -4.5773 -4.5773 -3.9041 -3.9041 1.0832 1.0832 1.1078 1.1078 1.4162 1.4162 1.4495 1.4495 1.5699 1.5699 4.2292 4.2292 5.1299 5.1299 5.6116 5.6116 6.4689 6.4689 6.7455 6.7455 7.2650 7.2650 8.9651 8.9651 11.8709 11.8709 13.2464 13.2464 13.3971 13.3971 k = 0.2077 0.7630 0.6312 ( 2889 PWs) bands (ev): -31.1971 -31.1971 -31.1911 -31.1911 -12.6809 -12.6809 -12.6680 -12.6680 -12.2368 -12.2368 -12.2302 -12.2302 -12.0275 -12.0275 -12.0135 -12.0135 -4.5774 -4.5774 -3.9018 -3.9018 1.0827 1.0827 1.1078 1.1078 1.4160 1.4160 1.4494 1.4494 1.5697 1.5697 4.2430 4.2430 5.0907 5.0907 5.6469 5.6469 6.4557 6.4557 6.7439 6.7439 7.2633 7.2633 8.9625 8.9625 11.8627 11.8627 13.2518 13.2518 13.3901 13.3901 k = 0.1869 0.7592 0.6353 ( 2890 PWs) bands (ev): -31.1968 -31.1968 -31.1914 -31.1914 -12.6808 -12.6808 -12.6687 -12.6687 -12.2368 -12.2368 -12.2305 -12.2305 -12.0268 -12.0268 -12.0141 -12.0141 -4.5777 -4.5777 -3.8995 -3.8995 1.0821 1.0821 1.1079 1.1079 1.4158 1.4158 1.4492 1.4492 1.5695 1.5695 4.2597 4.2597 5.0461 5.0461 5.6892 5.6892 6.4388 6.4388 6.7424 6.7424 7.2618 7.2618 8.9605 8.9605 11.8536 11.8536 13.2565 13.2565 13.3850 13.3850 k = 0.1662 0.7553 0.6395 ( 2888 PWs) bands (ev): -31.1964 -31.1964 -31.1917 -31.1917 -12.6806 -12.6806 -12.6693 -12.6693 -12.2369 -12.2369 -12.2306 -12.2306 -12.0261 -12.0261 -12.0148 -12.0148 -4.5781 -4.5781 -3.8974 -3.8974 1.0816 1.0816 1.1080 1.1080 1.4157 1.4157 1.4491 1.4491 1.5693 1.5693 4.2789 4.2789 4.9987 4.9987 5.7357 5.7357 6.4181 6.4181 6.7411 6.7411 7.2604 7.2604 8.9590 8.9590 11.8440 11.8440 13.2605 13.2605 13.3816 13.3816 k = 0.1454 0.7515 0.6436 ( 2890 PWs) bands (ev): -31.1961 -31.1961 -31.1919 -31.1919 -12.6804 -12.6804 -12.6699 -12.6699 -12.2369 -12.2369 -12.2308 -12.2308 -12.0254 -12.0254 -12.0155 -12.0155 -4.5785 -4.5785 -3.8954 -3.8954 1.0810 1.0810 1.1081 1.1081 1.4154 1.4154 1.4490 1.4490 1.5691 1.5691 4.3004 4.3004 4.9503 4.9503 5.7848 5.7848 6.3939 6.3939 6.7399 6.7399 7.2591 7.2591 8.9578 8.9578 11.8344 11.8344 13.2641 13.2641 13.3793 13.3793 k = 0.1246 0.7476 0.6477 ( 2891 PWs) bands (ev): -31.1958 -31.1958 -31.1922 -31.1922 -12.6802 -12.6802 -12.6705 -12.6705 -12.2370 -12.2370 -12.2308 -12.2308 -12.0247 -12.0247 -12.0161 -12.0161 -4.5789 -4.5789 -3.8937 -3.8937 1.0804 1.0804 1.1082 1.1082 1.4152 1.4152 1.4489 1.4489 1.5689 1.5689 4.3240 4.3240 4.9021 4.9021 5.8354 5.8354 6.3662 6.3662 6.7388 6.7388 7.2580 7.2580 8.9570 8.9570 11.8251 11.8251 13.2674 13.2674 13.3778 13.3778 k = 0.1039 0.7438 0.6519 ( 2893 PWs) bands (ev): -31.1955 -31.1955 -31.1925 -31.1925 -12.6799 -12.6799 -12.6710 -12.6710 -12.2371 -12.2371 -12.2309 -12.2309 -12.0240 -12.0240 -12.0168 -12.0168 -4.5793 -4.5793 -3.8921 -3.8921 1.0799 1.0799 1.1083 1.1083 1.4149 1.4149 1.4489 1.4489 1.5688 1.5688 4.3492 4.3492 4.8554 4.8554 5.8865 5.8865 6.3353 6.3353 6.7379 6.7379 7.2571 7.2571 8.9564 8.9564 11.8165 11.8165 13.2704 13.2704 13.3769 13.3769 k = 0.0831 0.7399 0.6560 ( 2891 PWs) bands (ev): -31.1952 -31.1952 -31.1927 -31.1927 -12.6797 -12.6797 -12.6715 -12.6715 -12.2372 -12.2372 -12.2309 -12.2309 -12.0233 -12.0233 -12.0175 -12.0175 -4.5797 -4.5797 -3.8908 -3.8908 1.0794 1.0794 1.1084 1.1084 1.4148 1.4148 1.4489 1.4489 1.5687 1.5687 4.3751 4.3751 4.8115 4.8115 5.9376 5.9376 6.3013 6.3013 6.7371 6.7371 7.2563 7.2563 8.9560 8.9560 11.8090 11.8090 13.2733 13.2733 13.3763 13.3763 k = 0.0623 0.7361 0.6602 ( 2892 PWs) bands (ev): -31.1950 -31.1950 -31.1930 -31.1930 -12.6794 -12.6794 -12.6720 -12.6720 -12.2373 -12.2373 -12.2309 -12.2309 -12.0226 -12.0226 -12.0182 -12.0182 -4.5800 -4.5800 -3.8897 -3.8897 1.0791 1.0791 1.1085 1.1085 1.4146 1.4146 1.4489 1.4489 1.5686 1.5686 4.4004 4.4004 4.7718 4.7718 5.9879 5.9879 6.2645 6.2645 6.7365 6.7365 7.2556 7.2556 8.9557 8.9557 11.8028 11.8028 13.2757 13.2757 13.3758 13.3758 k = 0.0415 0.7322 0.6643 ( 2890 PWs) bands (ev): -31.1948 -31.1948 -31.1932 -31.1932 -12.6792 -12.6792 -12.6723 -12.6723 -12.2373 -12.2373 -12.2309 -12.2309 -12.0219 -12.0219 -12.0189 -12.0189 -4.5802 -4.5802 -3.8890 -3.8890 1.0788 1.0788 1.1085 1.1085 1.4145 1.4145 1.4489 1.4489 1.5685 1.5685 4.4230 4.4230 4.7388 4.7388 6.0367 6.0367 6.2254 6.2254 6.7361 6.7361 7.2552 7.2552 8.9556 8.9556 11.7982 11.7982 13.2776 13.2776 13.3754 13.3754 k = 0.0208 0.7284 0.6685 ( 2892 PWs) bands (ev): -31.1946 -31.1946 -31.1933 -31.1933 -12.6790 -12.6790 -12.6726 -12.6726 -12.2374 -12.2374 -12.2309 -12.2309 -12.0212 -12.0212 -12.0197 -12.0197 -4.5803 -4.5803 -3.8885 -3.8885 1.0786 1.0786 1.1085 1.1085 1.4144 1.4144 1.4488 1.4488 1.5685 1.5685 4.4394 4.4394 4.7162 4.7162 6.0825 6.0825 6.1856 6.1856 6.7358 6.7358 7.2549 7.2549 8.9555 8.9555 11.7954 11.7954 13.2788 13.2788 13.3752 13.3752 k = 0.0000 0.7245 0.6726 ( 2890 PWs) bands (ev): -31.1946 -31.1946 -31.1934 -31.1934 -12.6789 -12.6789 -12.6726 -12.6726 -12.2374 -12.2374 -12.2309 -12.2309 -12.0207 -12.0207 -12.0202 -12.0202 -4.5804 -4.5804 -3.8884 -3.8884 1.0786 1.0786 1.1086 1.1086 1.4144 1.4144 1.4488 1.4488 1.5685 1.5685 4.4456 4.4456 4.7079 4.7079 6.1115 6.1115 6.1586 6.1586 6.7358 6.7358 7.2548 7.2548 8.9555 8.9555 11.7944 11.7944 13.2793 13.2793 13.3751 13.3751 k = 0.0000 0.7245 0.6726 ( 2890 PWs) bands (ev): -31.1946 -31.1946 -31.1934 -31.1934 -12.6789 -12.6789 -12.6726 -12.6726 -12.2374 -12.2374 -12.2309 -12.2309 -12.0207 -12.0207 -12.0202 -12.0202 -4.5804 -4.5804 -3.8884 -3.8884 1.0786 1.0786 1.1086 1.1086 1.4144 1.4144 1.4488 1.4488 1.5685 1.5685 4.4456 4.4456 4.7079 4.7079 6.1115 6.1115 6.1586 6.1586 6.7358 6.7358 7.2548 7.2548 8.9555 8.9555 11.7944 11.7944 13.2793 13.2793 13.3751 13.3751 k = 0.0057 0.7103 0.6879 ( 2892 PWs) bands (ev): -31.1945 -31.1945 -31.1933 -31.1933 -12.6789 -12.6789 -12.6725 -12.6725 -12.2381 -12.2381 -12.2303 -12.2303 -12.0222 -12.0222 -12.0190 -12.0190 -4.5806 -4.5806 -3.8887 -3.8887 1.0786 1.0786 1.1086 1.1086 1.4143 1.4143 1.4489 1.4489 1.5684 1.5684 4.4463 4.4463 4.7092 4.7092 6.1124 6.1124 6.1589 6.1589 6.7356 6.7356 7.2546 7.2546 8.9566 8.9566 11.7939 11.7939 13.2700 13.2700 13.3661 13.3661 k = 0.0114 0.6961 0.7032 ( 2898 PWs) bands (ev): -31.1945 -31.1945 -31.1933 -31.1933 -12.6787 -12.6787 -12.6720 -12.6720 -12.2397 -12.2397 -12.2291 -12.2291 -12.0243 -12.0243 -12.0181 -12.0181 -4.5814 -4.5814 -3.8896 -3.8896 1.0787 1.0787 1.1087 1.1087 1.4142 1.4142 1.4490 1.4490 1.5683 1.5683 4.4485 4.4485 4.7132 4.7132 6.1152 6.1152 6.1596 6.1596 6.7351 6.7351 7.2541 7.2541 8.9601 8.9601 11.7922 11.7922 13.2433 13.2433 13.3406 13.3406 k = 0.0170 0.6820 0.7185 ( 2896 PWs) bands (ev): -31.1944 -31.1944 -31.1932 -31.1932 -12.6784 -12.6784 -12.6712 -12.6712 -12.2418 -12.2418 -12.2276 -12.2276 -12.0268 -12.0268 -12.0175 -12.0175 -4.5826 -4.5826 -3.8911 -3.8911 1.0789 1.0789 1.1089 1.1089 1.4141 1.4141 1.4492 1.4492 1.5680 1.5680 4.4521 4.4521 4.7199 4.7199 6.1199 6.1199 6.1609 6.1609 6.7343 6.7343 7.2533 7.2533 8.9658 8.9658 11.7892 11.7892 13.2019 13.2019 13.3020 13.3020 k = 0.0227 0.6678 0.7338 ( 2890 PWs) bands (ev): -31.1942 -31.1942 -31.1930 -31.1930 -12.6779 -12.6779 -12.6701 -12.6701 -12.2442 -12.2442 -12.2261 -12.2261 -12.0296 -12.0296 -12.0172 -12.0172 -4.5842 -4.5842 -3.8933 -3.8933 1.0792 1.0792 1.1093 1.1093 1.4139 1.4139 1.4495 1.4495 1.5677 1.5677 4.4571 4.4571 4.7292 4.7292 6.1265 6.1265 6.1626 6.1626 6.7331 6.7331 7.2521 7.2521 8.9739 8.9739 11.7848 11.7848 13.1495 13.1495 13.2538 13.2538 k = 0.0284 0.6536 0.7491 ( 2884 PWs) bands (ev): -31.1941 -31.1941 -31.1928 -31.1928 -12.6773 -12.6773 -12.6687 -12.6687 -12.2468 -12.2468 -12.2246 -12.2246 -12.0327 -12.0327 -12.0172 -12.0172 -4.5864 -4.5864 -3.8960 -3.8960 1.0795 1.0795 1.1097 1.1097 1.4137 1.4137 1.4499 1.4499 1.5673 1.5673 4.4636 4.4636 4.7411 4.7411 6.1348 6.1348 6.1649 6.1649 6.7317 6.7317 7.2506 7.2506 8.9842 8.9842 11.7787 11.7787 13.0891 13.0891 13.1988 13.1988 k = 0.0341 0.6394 0.7644 ( 2890 PWs) bands (ev): -31.1938 -31.1938 -31.1926 -31.1926 -12.6765 -12.6765 -12.6671 -12.6671 -12.2495 -12.2495 -12.2233 -12.2233 -12.0363 -12.0363 -12.0176 -12.0176 -4.5890 -4.5890 -3.8993 -3.8993 1.0799 1.0799 1.1101 1.1101 1.4133 1.4133 1.4505 1.4505 1.5668 1.5668 4.4715 4.4715 4.7556 4.7556 6.1448 6.1448 6.1676 6.1676 6.7300 6.7300 7.2488 7.2488 8.9967 8.9967 11.7705 11.7705 13.0237 13.0237 13.1390 13.1390 k = 0.0398 0.6252 0.7796 ( 2888 PWs) bands (ev): -31.1936 -31.1936 -31.1924 -31.1924 -12.6756 -12.6756 -12.6652 -12.6652 -12.2524 -12.2524 -12.2220 -12.2220 -12.0401 -12.0401 -12.0184 -12.0184 -4.5920 -4.5920 -3.9032 -3.9032 1.0804 1.0804 1.1106 1.1106 1.4129 1.4129 1.4512 1.4512 1.5662 1.5662 4.4809 4.4809 4.7726 4.7726 6.1564 6.1564 6.1710 6.1710 6.7280 6.7280 7.2467 7.2467 9.0114 9.0114 11.7598 11.7598 12.9557 12.9557 13.0760 13.0760 k = 0.0455 0.6110 0.7949 ( 2886 PWs) bands (ev): -31.1933 -31.1933 -31.1921 -31.1921 -12.6745 -12.6745 -12.6632 -12.6632 -12.2555 -12.2555 -12.2208 -12.2208 -12.0443 -12.0443 -12.0194 -12.0194 -4.5955 -4.5955 -3.9076 -3.9076 1.0809 1.0809 1.1112 1.1112 1.4123 1.4123 1.4520 1.4520 1.5655 1.5655 4.4917 4.4917 4.7920 4.7920 6.1688 6.1688 6.1755 6.1755 6.7258 6.7258 7.2443 7.2443 9.0282 9.0282 11.7459 11.7459 12.8870 12.8870 13.0106 13.0106 k = 0.0511 0.5968 0.8102 ( 2882 PWs) bands (ev): -31.1929 -31.1929 -31.1917 -31.1917 -12.6732 -12.6732 -12.6609 -12.6609 -12.2586 -12.2586 -12.2198 -12.2198 -12.0487 -12.0487 -12.0207 -12.0207 -4.5994 -4.5994 -3.9125 -3.9125 1.0815 1.0815 1.1117 1.1117 1.4117 1.4117 1.4531 1.4531 1.5648 1.5648 4.5039 4.5039 4.8138 4.8138 6.1772 6.1772 6.1859 6.1859 6.7234 6.7234 7.2416 7.2416 9.0470 9.0470 11.7282 11.7282 12.8194 12.8194 12.9437 12.9437 k = 0.0568 0.5826 0.8255 ( 2884 PWs) bands (ev): -31.1926 -31.1926 -31.1914 -31.1914 -12.6718 -12.6718 -12.6585 -12.6585 -12.2619 -12.2619 -12.2189 -12.2189 -12.0534 -12.0534 -12.0223 -12.0223 -4.6037 -4.6037 -3.9179 -3.9179 1.0821 1.0821 1.1123 1.1123 1.4109 1.4109 1.4544 1.4544 1.5640 1.5640 4.5176 4.5176 4.8379 4.8379 6.1822 6.1822 6.2014 6.2014 6.7209 6.7209 7.2387 7.2387 9.0679 9.0679 11.7060 11.7060 12.7546 12.7546 12.8758 12.8758 k = 0.0625 0.5684 0.8408 ( 2882 PWs) bands (ev): -31.1922 -31.1922 -31.1910 -31.1910 -12.6702 -12.6702 -12.6558 -12.6558 -12.2652 -12.2652 -12.2181 -12.2181 -12.0583 -12.0583 -12.0241 -12.0241 -4.6084 -4.6084 -3.9238 -3.9238 1.0827 1.0827 1.1129 1.1129 1.4100 1.4100 1.4559 1.4559 1.5631 1.5631 4.5326 4.5326 4.8642 4.8642 6.1873 6.1873 6.2184 6.2184 6.7183 6.7183 7.2355 7.2355 9.0906 9.0906 11.6784 11.6784 12.6941 12.6941 12.8074 12.8074 k = 0.0682 0.5542 0.8561 ( 2886 PWs) bands (ev): -31.1918 -31.1918 -31.1906 -31.1906 -12.6685 -12.6685 -12.6531 -12.6531 -12.2687 -12.2687 -12.2174 -12.2174 -12.0634 -12.0634 -12.0262 -12.0262 -4.6134 -4.6134 -3.9302 -3.9302 1.0834 1.0834 1.1134 1.1134 1.4090 1.4090 1.4575 1.4575 1.5622 1.5622 4.5492 4.5492 4.8927 4.8927 6.1926 6.1926 6.2364 6.2364 6.7158 6.7158 7.2321 7.2321 9.1152 9.1152 11.6448 11.6448 12.6390 12.6390 12.7389 12.7389 k = 0.0739 0.5400 0.8714 ( 2888 PWs) bands (ev): -31.1913 -31.1913 -31.1901 -31.1901 -12.6667 -12.6667 -12.6503 -12.6503 -12.2722 -12.2722 -12.2169 -12.2169 -12.0687 -12.0687 -12.0285 -12.0285 -4.6187 -4.6187 -3.9369 -3.9369 1.0840 1.0840 1.1138 1.1138 1.4079 1.4079 1.4595 1.4595 1.5613 1.5613 4.5671 4.5671 4.9231 4.9231 6.1983 6.1983 6.2551 6.2551 6.7135 6.7135 7.2285 7.2285 9.1415 9.1415 11.6046 11.6046 12.5906 12.5906 12.6705 12.6705 k = 0.0795 0.5258 0.8866 ( 2882 PWs) bands (ev): -31.1908 -31.1908 -31.1896 -31.1896 -12.6648 -12.6648 -12.6473 -12.6473 -12.2758 -12.2758 -12.2165 -12.2165 -12.0740 -12.0740 -12.0309 -12.0309 -4.6244 -4.6244 -3.9440 -3.9440 1.0847 1.0847 1.1143 1.1143 1.4067 1.4067 1.4617 1.4617 1.5604 1.5604 4.5864 4.5864 4.9555 4.9555 6.2043 6.2043 6.2741 6.2741 6.7115 6.7115 7.2247 7.2247 9.1695 9.1695 11.5577 11.5577 12.5493 12.5493 12.6028 12.6028 k = 0.0852 0.5117 0.9019 ( 2882 PWs) bands (ev): -31.1904 -31.1904 -31.1891 -31.1891 -12.6628 -12.6628 -12.6443 -12.6443 -12.2794 -12.2794 -12.2162 -12.2162 -12.0795 -12.0795 -12.0335 -12.0335 -4.6303 -4.6303 -3.9515 -3.9515 1.0854 1.0854 1.1147 1.1147 1.4055 1.4055 1.4641 1.4641 1.5594 1.5594 4.6072 4.6072 4.9896 4.9896 6.2106 6.2106 6.2931 6.2931 6.7102 6.7102 7.2208 7.2208 9.1990 9.1990 11.5040 11.5040 12.5154 12.5154 12.5358 12.5358 k = 0.0909 0.4975 0.9172 ( 2882 PWs) bands (ev): -31.1898 -31.1898 -31.1886 -31.1886 -12.6607 -12.6607 -12.6412 -12.6412 -12.2831 -12.2831 -12.2162 -12.2162 -12.0849 -12.0849 -12.0363 -12.0363 -4.6365 -4.6365 -3.9592 -3.9592 1.0861 1.0861 1.1150 1.1150 1.4041 1.4041 1.4667 1.4667 1.5585 1.5585 4.6293 4.6293 5.0254 5.0254 6.2172 6.2172 6.3117 6.3117 6.7097 6.7097 7.2166 7.2166 9.2298 9.2298 11.4441 11.4441 12.4696 12.4696 12.4892 12.4892 k = 0.0966 0.4833 0.9325 ( 2878 PWs) bands (ev): -31.1893 -31.1893 -31.1881 -31.1881 -12.6585 -12.6585 -12.6381 -12.6381 -12.2867 -12.2867 -12.2163 -12.2163 -12.0904 -12.0904 -12.0391 -12.0391 -4.6429 -4.6429 -3.9672 -3.9672 1.0868 1.0868 1.1152 1.1152 1.4026 1.4026 1.4695 1.4695 1.5575 1.5575 4.6528 4.6528 5.0626 5.0626 6.2240 6.2240 6.3293 6.3293 6.7104 6.7104 7.2123 7.2123 9.2620 9.2620 11.3789 11.3789 12.4050 12.4050 12.4696 12.4696 k = 0.1023 0.4691 0.9478 ( 2880 PWs) bands (ev): -31.1888 -31.1888 -31.1875 -31.1875 -12.6563 -12.6563 -12.6350 -12.6350 -12.2903 -12.2903 -12.2165 -12.2165 -12.0958 -12.0958 -12.0421 -12.0421 -4.6494 -4.6494 -3.9755 -3.9755 1.0874 1.0874 1.1153 1.1153 1.4011 1.4011 1.4725 1.4725 1.5566 1.5566 4.6777 4.6777 5.1013 5.1013 6.2310 6.2310 6.3453 6.3453 6.7129 6.7129 7.2079 7.2079 9.2953 9.2953 11.3091 11.3091 12.3418 12.3418 12.4563 12.4563 k = 0.1080 0.4549 0.9631 ( 2882 PWs) bands (ev): -31.1882 -31.1882 -31.1870 -31.1870 -12.6541 -12.6541 -12.6319 -12.6319 -12.2939 -12.2939 -12.2170 -12.2170 -12.1010 -12.1010 -12.0452 -12.0452 -4.6562 -4.6562 -3.9839 -3.9839 1.0880 1.0880 1.1153 1.1153 1.3995 1.3995 1.4757 1.4757 1.5557 1.5557 4.7040 4.7040 5.1412 5.1412 6.2382 6.2382 6.3591 6.3591 6.7174 6.7174 7.2034 7.2034 9.3296 9.3296 11.2358 11.2358 12.2803 12.2803 12.4487 12.4487 k = 0.1136 0.4407 0.9784 ( 2880 PWs) bands (ev): -31.1876 -31.1876 -31.1864 -31.1864 -12.6519 -12.6519 -12.6289 -12.6289 -12.2974 -12.2974 -12.2177 -12.2177 -12.1061 -12.1061 -12.0483 -12.0483 -4.6630 -4.6630 -3.9924 -3.9924 1.0885 1.0885 1.1152 1.1152 1.3979 1.3979 1.4791 1.4791 1.5549 1.5549 4.7316 4.7316 5.1821 5.1821 6.2454 6.2454 6.3701 6.3701 6.7243 6.7243 7.1988 7.1988 9.3647 9.3647 11.1600 11.1600 12.2206 12.2206 12.4459 12.4459 k = 0.1193 0.4265 0.9937 ( 2884 PWs) bands (ev): -31.1870 -31.1870 -31.1858 -31.1858 -12.6496 -12.6496 -12.6260 -12.6260 -12.3007 -12.3007 -12.2187 -12.2187 -12.1110 -12.1110 -12.0515 -12.0515 -4.6699 -4.6699 -4.0011 -4.0011 1.0890 1.0890 1.1151 1.1151 1.3962 1.3962 1.4825 1.4825 1.5541 1.5541 4.7605 4.7605 5.2240 5.2240 6.2528 6.2528 6.3778 6.3778 6.7341 6.7341 7.1942 7.1942 9.4005 9.4005 11.0826 11.0826 12.1631 12.1631 12.4474 12.4474 k = 0.1250 0.4123 1.0089 ( 2894 PWs) bands (ev): -31.1865 -31.1865 -31.1853 -31.1853 -12.6475 -12.6475 -12.6232 -12.6232 -12.3039 -12.3039 -12.2199 -12.2199 -12.1156 -12.1156 -12.0548 -12.0548 -4.6769 -4.6769 -4.0098 -4.0098 1.0895 1.0895 1.1148 1.1148 1.3945 1.3945 1.4859 1.4859 1.5534 1.5534 4.7908 4.7908 5.2666 5.2666 6.2600 6.2600 6.3819 6.3819 6.7468 6.7468 7.1895 7.1895 9.4368 9.4368 11.0044 11.0044 12.1079 12.1079 12.4526 12.4526 k = 0.1307 0.3981 1.0242 ( 2894 PWs) bands (ev): -31.1859 -31.1859 -31.1847 -31.1847 -12.6453 -12.6453 -12.6205 -12.6205 -12.3069 -12.3069 -12.2214 -12.2214 -12.1199 -12.1199 -12.0581 -12.0581 -4.6839 -4.6839 -4.0185 -4.0185 1.0899 1.0899 1.1144 1.1144 1.3928 1.3928 1.4895 1.4895 1.5529 1.5529 4.8222 4.8222 5.3097 5.3097 6.2673 6.2673 6.3822 6.3822 6.7624 6.7624 7.1847 7.1847 9.4734 9.4734 10.9261 10.9261 12.0552 12.0552 12.4611 12.4611 k = 0.1364 0.3839 1.0395 ( 2892 PWs) bands (ev): -31.1853 -31.1853 -31.1841 -31.1841 -12.6431 -12.6431 -12.6179 -12.6179 -12.3097 -12.3097 -12.2232 -12.2232 -12.1238 -12.1238 -12.0614 -12.0614 -4.6909 -4.6909 -4.0271 -4.0271 1.0904 1.0904 1.1140 1.1140 1.3912 1.3912 1.4930 1.4930 1.5524 1.5524 4.8549 4.8549 5.3533 5.3533 6.2744 6.2744 6.3788 6.3788 6.7806 6.7806 7.1799 7.1799 9.5100 9.5100 10.8484 10.8484 12.0052 12.0052 12.4723 12.4723 k = 0.1420 0.3697 1.0548 ( 2892 PWs) bands (ev): -31.1848 -31.1848 -31.1836 -31.1836 -12.6410 -12.6410 -12.6156 -12.6156 -12.3122 -12.3122 -12.2252 -12.2252 -12.1273 -12.1273 -12.0648 -12.0648 -4.6978 -4.6978 -4.0357 -4.0357 1.0907 1.0907 1.1135 1.1135 1.3895 1.3895 1.4964 1.4964 1.5522 1.5522 4.8888 4.8888 5.3970 5.3970 6.2813 6.2813 6.3719 6.3719 6.8010 6.8010 7.1751 7.1751 9.5466 9.5466 10.7719 10.7719 11.9580 11.9580 12.4861 12.4861 k = 0.1477 0.3555 1.0701 ( 2894 PWs) bands (ev): -31.1842 -31.1842 -31.1830 -31.1830 -12.6390 -12.6390 -12.6135 -12.6135 -12.3144 -12.3144 -12.2276 -12.2276 -12.1304 -12.1304 -12.0681 -12.0681 -4.7046 -4.7046 -4.0441 -4.0441 1.0910 1.0910 1.1129 1.1129 1.3879 1.3879 1.4997 1.4997 1.5521 1.5521 4.9238 4.9238 5.4407 5.4407 6.2878 6.2878 6.3618 6.3618 6.8230 6.8230 7.1704 7.1704 9.5829 9.5829 10.6970 10.6970 11.9139 11.9139 12.5020 12.5020 k = 0.1534 0.3414 1.0854 ( 2894 PWs) bands (ev): -31.1837 -31.1837 -31.1825 -31.1825 -12.6371 -12.6371 -12.6116 -12.6116 -12.3163 -12.3163 -12.2302 -12.2302 -12.1330 -12.1330 -12.0715 -12.0715 -4.7113 -4.7113 -4.0524 -4.0524 1.0912 1.0912 1.1123 1.1123 1.3863 1.3863 1.5028 1.5028 1.5522 1.5522 4.9599 4.9599 5.4843 5.4843 6.2940 6.2940 6.3488 6.3488 6.8463 6.8463 7.1657 7.1657 9.6186 9.6186 10.6242 10.6242 11.8731 11.8731 12.5199 12.5199 k = 0.1591 0.3272 1.1007 ( 2896 PWs) bands (ev): -31.1831 -31.1831 -31.1819 -31.1819 -12.6352 -12.6352 -12.6099 -12.6099 -12.3178 -12.3178 -12.2330 -12.2330 -12.1352 -12.1352 -12.0749 -12.0749 -4.7178 -4.7178 -4.0604 -4.0604 1.0914 1.0914 1.1116 1.1116 1.3848 1.3848 1.5057 1.5057 1.5526 1.5526 4.9969 4.9969 5.5274 5.5274 6.2995 6.2995 6.3335 6.3335 6.8703 6.8703 7.1610 7.1610 9.6536 9.6536 10.5538 10.5538 11.8356 11.8356 12.5394 12.5394 k = 0.1648 0.3130 1.1160 ( 2894 PWs) bands (ev): -31.1826 -31.1826 -31.1814 -31.1814 -12.6334 -12.6334 -12.6085 -12.6085 -12.3190 -12.3190 -12.2362 -12.2362 -12.1370 -12.1370 -12.0782 -12.0782 -4.7241 -4.7241 -4.0682 -4.0682 1.0916 1.0916 1.1109 1.1109 1.3833 1.3833 1.5084 1.5084 1.5532 1.5532 5.0348 5.0348 5.5699 5.5699 6.3026 6.3026 6.3176 6.3176 6.8946 6.8946 7.1565 7.1565 9.6875 9.6875 10.4863 10.4863 11.8016 11.8016 12.5604 12.5604 k = 0.1705 0.2988 1.1312 ( 2894 PWs) bands (ev): -31.1821 -31.1821 -31.1809 -31.1809 -12.6317 -12.6317 -12.6074 -12.6074 -12.3198 -12.3198 -12.2395 -12.2395 -12.1383 -12.1383 -12.0816 -12.0816 -4.7302 -4.7302 -4.0757 -4.0757 1.0917 1.0917 1.1102 1.1102 1.3819 1.3819 1.5107 1.5107 1.5540 1.5540 5.0735 5.0735 5.6116 5.6116 6.2915 6.2915 6.3133 6.3133 6.9188 6.9188 7.1520 7.1520 9.7202 9.7202 10.4220 10.4220 11.7712 11.7712 12.5827 12.5827 k = 0.1761 0.2846 1.1465 ( 2892 PWs) bands (ev): -31.1816 -31.1816 -31.1804 -31.1804 -12.6301 -12.6301 -12.6065 -12.6065 -12.3202 -12.3202 -12.2430 -12.2430 -12.1392 -12.1392 -12.0849 -12.0849 -4.7361 -4.7361 -4.0829 -4.0829 1.0917 1.0917 1.1095 1.1095 1.3806 1.3806 1.5127 1.5127 1.5551 1.5551 5.1129 5.1129 5.6523 5.6523 6.2702 6.2702 6.3165 6.3165 6.9425 6.9425 7.1477 7.1477 9.7514 9.7514 10.3610 10.3610 11.7446 11.7446 12.6059 12.6059 k = 0.1818 0.2704 1.1618 ( 2892 PWs) bands (ev): -31.1812 -31.1812 -31.1800 -31.1800 -12.6285 -12.6285 -12.6058 -12.6058 -12.3202 -12.3202 -12.2467 -12.2467 -12.1398 -12.1398 -12.0882 -12.0882 -4.7416 -4.7416 -4.0897 -4.0897 1.0918 1.0918 1.1089 1.1089 1.3793 1.3793 1.5143 1.5143 1.5565 1.5565 5.1527 5.1527 5.6916 5.6916 6.2464 6.2464 6.3198 6.3198 6.9655 6.9655 7.1436 7.1436 9.7810 9.7810 10.3037 10.3037 11.7216 11.7216 12.6300 12.6300 k = 0.1875 0.2562 1.1771 ( 2892 PWs) bands (ev): -31.1808 -31.1808 -31.1796 -31.1796 -12.6270 -12.6270 -12.6054 -12.6054 -12.3198 -12.3198 -12.2505 -12.2505 -12.1399 -12.1399 -12.0915 -12.0915 -4.7468 -4.7468 -4.0961 -4.0961 1.0917 1.0917 1.1082 1.1082 1.3781 1.3781 1.5157 1.5157 1.5579 1.5579 5.1929 5.1929 5.7295 5.7295 6.2209 6.2209 6.3227 6.3227 6.9876 6.9876 7.1396 7.1396 9.8087 9.8087 10.2503 10.2503 11.7022 11.7022 12.6546 12.6546 k = 0.1932 0.2420 1.1924 ( 2892 PWs) bands (ev): -31.1804 -31.1804 -31.1792 -31.1792 -12.6256 -12.6256 -12.6053 -12.6053 -12.3191 -12.3191 -12.2543 -12.2543 -12.1398 -12.1398 -12.0947 -12.0947 -4.7517 -4.7517 -4.1021 -4.1021 1.0917 1.0917 1.1076 1.1076 1.3770 1.3770 1.5167 1.5167 1.5596 1.5596 5.2333 5.2333 5.7656 5.7656 6.1939 6.1939 6.3249 6.3249 7.0084 7.0084 7.1359 7.1359 9.8343 9.8343 10.2010 10.2010 11.6865 11.6865 12.6795 12.6795 k = 0.1989 0.2278 1.2077 ( 2892 PWs) bands (ev): -31.1800 -31.1800 -31.1788 -31.1788 -12.6243 -12.6243 -12.6053 -12.6053 -12.3180 -12.3180 -12.2583 -12.2583 -12.1393 -12.1393 -12.0980 -12.0980 -4.7561 -4.7561 -4.1075 -4.1075 1.0916 1.0916 1.1070 1.1070 1.3760 1.3760 1.5176 1.5176 1.5612 1.5612 5.2735 5.2735 5.7998 5.7998 6.1658 6.1658 6.3264 6.3264 7.0278 7.0278 7.1324 7.1324 9.8578 9.8578 10.1560 10.1560 11.6741 11.6741 12.7042 12.7042 k = 0.2045 0.2136 1.2230 ( 2888 PWs) bands (ev): -31.1797 -31.1797 -31.1785 -31.1785 -12.6230 -12.6230 -12.6055 -12.6055 -12.3165 -12.3165 -12.2622 -12.2622 -12.1385 -12.1385 -12.1011 -12.1011 -4.7602 -4.7602 -4.1125 -4.1125 1.0916 1.0916 1.1065 1.1065 1.3751 1.3751 1.5182 1.5182 1.5629 1.5629 5.3132 5.3132 5.8316 5.8316 6.1370 6.1370 6.3272 6.3272 7.0456 7.0456 7.1292 7.1292 9.8788 9.8788 10.1154 10.1154 11.6649 11.6649 12.7284 12.7284 k = 0.2102 0.1994 1.2382 ( 2884 PWs) bands (ev): -31.1794 -31.1794 -31.1782 -31.1782 -12.6218 -12.6218 -12.6058 -12.6058 -12.3148 -12.3148 -12.2661 -12.2661 -12.1375 -12.1375 -12.1042 -12.1042 -4.7638 -4.7638 -4.1170 -4.1170 1.0915 1.0915 1.1060 1.1060 1.3743 1.3743 1.5187 1.5187 1.5645 1.5645 5.3520 5.3520 5.8609 5.8609 6.1079 6.1079 6.3273 6.3273 7.0616 7.0616 7.1263 7.1263 9.8975 9.8975 10.0793 10.0793 11.6584 11.6584 12.7516 12.7516 k = 0.2159 0.1852 1.2535 ( 2886 PWs) bands (ev): -31.1791 -31.1791 -31.1779 -31.1779 -12.6207 -12.6207 -12.6063 -12.6063 -12.3128 -12.3128 -12.2700 -12.2700 -12.1362 -12.1362 -12.1073 -12.1073 -4.7670 -4.7670 -4.1209 -4.1209 1.0914 1.0914 1.1056 1.1056 1.3736 1.3736 1.5190 1.5190 1.5660 1.5660 5.3894 5.3894 5.8872 5.8872 6.0789 6.0789 6.3269 6.3269 7.0758 7.0758 7.1237 7.1237 9.9136 9.9136 10.0480 10.0480 11.6544 11.6544 12.7734 12.7734 k = 0.2216 0.1710 1.2688 ( 2884 PWs) bands (ev): -31.1789 -31.1789 -31.1777 -31.1777 -12.6196 -12.6196 -12.6069 -12.6069 -12.3105 -12.3105 -12.2739 -12.2739 -12.1347 -12.1347 -12.1103 -12.1103 -4.7698 -4.7698 -4.1242 -4.1242 1.0913 1.0913 1.1052 1.1052 1.3730 1.3730 1.5193 1.5193 1.5673 1.5673 5.4246 5.4246 5.9104 5.9104 6.0509 6.0509 6.3261 6.3261 7.0879 7.0879 7.1215 7.1215 9.9271 9.9271 10.0214 10.0214 11.6523 11.6523 12.7931 12.7931 k = 0.2273 0.1569 1.2841 ( 2890 PWs) bands (ev): -31.1787 -31.1787 -31.1775 -31.1775 -12.6186 -12.6186 -12.6075 -12.6075 -12.3081 -12.3081 -12.2776 -12.2776 -12.1330 -12.1330 -12.1132 -12.1132 -4.7721 -4.7721 -4.1270 -4.1270 1.0911 1.0911 1.1049 1.1049 1.3725 1.3725 1.5194 1.5194 1.5685 1.5685 5.4566 5.4566 5.9300 5.9300 6.0247 6.0247 6.3250 6.3250 7.0980 7.0980 7.1196 7.1196 9.9379 9.9379 9.9998 9.9998 11.6516 11.6516 12.8101 12.8101 k = 0.2330 0.1427 1.2994 ( 2890 PWs) bands (ev): -31.1785 -31.1785 -31.1774 -31.1774 -12.6177 -12.6177 -12.6081 -12.6081 -12.3056 -12.3056 -12.2811 -12.2811 -12.1311 -12.1311 -12.1160 -12.1160 -4.7738 -4.7738 -4.1292 -4.1292 1.0911 1.0911 1.1046 1.1046 1.3721 1.3721 1.5196 1.5196 1.5694 1.5694 5.4843 5.4843 5.9457 5.9457 6.0017 6.0017 6.3238 6.3238 7.1059 7.1059 7.1181 7.1181 9.9457 9.9457 9.9836 9.9836 11.6517 11.6517 12.8235 12.8235 k = 0.2386 0.1285 1.3147 ( 2898 PWs) bands (ev): -31.1785 -31.1785 -31.1773 -31.1773 -12.6170 -12.6170 -12.6087 -12.6087 -12.3032 -12.3032 -12.2843 -12.2843 -12.1292 -12.1292 -12.1187 -12.1187 -4.7751 -4.7751 -4.1307 -4.1307 1.0910 1.0910 1.1044 1.1044 1.3718 1.3718 1.5196 1.5196 1.5700 1.5700 5.5059 5.5059 5.9569 5.9569 5.9836 5.9836 6.3228 6.3228 7.1115 7.1115 7.1171 7.1171 9.9500 9.9500 9.9732 9.9732 11.6523 11.6523 12.8318 12.8318 k = 0.2443 0.1143 1.3300 ( 2900 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6165 -12.6165 -12.6091 -12.6091 -12.3012 -12.3012 -12.2867 -12.2867 -12.1272 -12.1272 -12.1210 -12.1210 -4.7759 -4.7759 -4.1317 -4.1317 1.0909 1.0909 1.1043 1.1043 1.3716 1.3716 1.5197 1.5197 1.5704 1.5704 5.5199 5.5199 5.9629 5.9629 5.9726 5.9726 6.3220 6.3220 7.1147 7.1147 7.1168 7.1168 9.9507 9.9507 9.9688 9.9688 11.6528 11.6528 12.8339 12.8347 k = 0.2500 0.1001 1.3453 ( 2904 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6164 -12.6164 -12.6093 -12.6093 -12.3003 -12.3003 -12.2877 -12.2877 -12.1261 -12.1261 -12.1223 -12.1223 -4.7761 -4.7761 -4.1320 -4.1320 1.0909 1.0909 1.1043 1.1043 1.3716 1.3716 1.5197 1.5197 1.5705 1.5705 5.5247 5.5247 5.9633 5.9633 5.9704 5.9704 6.3218 6.3218 7.1154 7.1154 7.1170 7.1170 9.9503 9.9503 9.9680 9.9680 11.6529 11.6529 12.8333 12.8334 k = 0.2500 0.1001 1.3453 ( 2904 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6164 -12.6164 -12.6093 -12.6093 -12.3003 -12.3003 -12.2877 -12.2877 -12.1261 -12.1261 -12.1223 -12.1223 -4.7761 -4.7761 -4.1320 -4.1320 1.0909 1.0909 1.1043 1.1043 1.3716 1.3716 1.5197 1.5197 1.5705 1.5705 5.5247 5.5247 5.9633 5.9633 5.9704 5.9704 6.3218 6.3218 7.1154 7.1154 7.1170 7.1170 9.9503 9.9503 9.9680 9.9680 11.6529 11.6529 12.8333 12.8333 k = 0.2679 0.1072 1.3376 ( 2902 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6164 -12.6164 -12.6093 -12.6093 -12.3004 -12.3004 -12.2876 -12.2876 -12.1262 -12.1262 -12.1221 -12.1221 -4.7761 -4.7761 -4.1319 -4.1319 1.0909 1.0909 1.1043 1.1043 1.3716 1.3716 1.5197 1.5197 1.5705 1.5705 5.5240 5.5240 5.9628 5.9628 5.9712 5.9712 6.3221 6.3221 7.0953 7.0953 7.1374 7.1374 9.8846 9.8846 10.0372 10.0372 11.6511 11.6511 12.7306 12.7306 k = 0.2857 0.1144 1.3299 ( 2898 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6164 -12.6164 -12.6092 -12.6092 -12.3007 -12.3007 -12.2872 -12.2872 -12.1267 -12.1267 -12.1216 -12.1216 -4.7760 -4.7760 -4.1318 -4.1318 1.0908 1.0908 1.1044 1.1044 1.3716 1.3716 1.5196 1.5196 1.5706 1.5706 5.5215 5.5215 5.9617 5.9617 5.9735 5.9735 6.3229 6.3229 7.0749 7.0749 7.1590 7.1590 9.8147 9.8147 10.1177 10.1177 11.6458 11.6458 12.6173 12.6173 k = 0.3036 0.1215 1.3222 ( 2895 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6165 -12.6165 -12.6091 -12.6091 -12.3012 -12.3012 -12.2866 -12.2866 -12.1273 -12.1273 -12.1209 -12.1209 -4.7759 -4.7759 -4.1316 -4.1316 1.0907 1.0907 1.1045 1.1045 1.3715 1.3715 1.5196 1.5196 1.5706 1.5706 5.5173 5.5173 5.9604 5.9604 5.9769 5.9769 6.3242 6.3242 7.0550 7.0550 7.1806 7.1806 9.7488 9.7488 10.2011 10.2011 11.6373 11.6373 12.5046 12.5046 k = 0.3214 0.1287 1.3145 ( 2885 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6165 -12.6165 -12.6090 -12.6090 -12.3018 -12.3018 -12.2858 -12.2858 -12.1279 -12.1279 -12.1201 -12.1201 -4.7757 -4.7757 -4.1312 -4.1312 1.0905 1.0905 1.1047 1.1047 1.3715 1.3715 1.5196 1.5196 1.5707 1.5707 5.5111 5.5111 5.9591 5.9591 5.9815 5.9815 6.3258 6.3258 7.0359 7.0359 7.2020 7.2020 9.6873 9.6873 10.2870 10.2870 11.6258 11.6258 12.3932 12.3932 k = 0.3393 0.1358 1.3068 ( 2885 PWs) bands (ev): -31.1784 -31.1784 -31.1773 -31.1773 -12.6166 -12.6166 -12.6089 -12.6089 -12.3025 -12.3025 -12.2849 -12.2849 -12.1286 -12.1286 -12.1193 -12.1193 -4.7754 -4.7754 -4.1309 -4.1309 1.0903 1.0903 1.1049 1.1049 1.3715 1.3715 1.5196 1.5196 1.5707 1.5707 5.5030 5.5030 5.9581 5.9581 5.9873 5.9873 6.3275 6.3275 7.0177 7.0177 7.2228 7.2228 9.6305 9.6305 10.3751 10.3751 11.6117 11.6117 12.2838 12.2838 k = 0.3571 0.1430 1.2991 ( 2882 PWs) bands (ev): -31.1784 -31.1784 -31.1773 -31.1773 -12.6168 -12.6168 -12.6088 -12.6088 -12.3034 -12.3034 -12.2839 -12.2839 -12.1293 -12.1293 -12.1184 -12.1184 -4.7750 -4.7750 -4.1304 -4.1304 1.0901 1.0901 1.1051 1.1051 1.3715 1.3715 1.5196 1.5196 1.5707 1.5707 5.4931 5.4931 5.9574 5.9574 5.9945 5.9945 6.3291 6.3291 7.0005 7.0005 7.2429 7.2429 9.5788 9.5788 10.4651 10.4651 11.5952 11.5952 12.1774 12.1774 k = 0.3750 0.1501 1.2914 ( 2877 PWs) bands (ev): -31.1784 -31.1784 -31.1774 -31.1774 -12.6169 -12.6169 -12.6087 -12.6087 -12.3042 -12.3042 -12.2827 -12.2827 -12.1299 -12.1299 -12.1175 -12.1175 -4.7745 -4.7745 -4.1299 -4.1299 1.0898 1.0898 1.1053 1.1053 1.3715 1.3715 1.5196 1.5196 1.5707 1.5707 5.4813 5.4813 5.9569 5.9569 6.0029 6.0029 6.3303 6.3303 6.9845 6.9845 7.2618 7.2618 9.5326 9.5326 10.5563 10.5563 11.5761 11.5761 12.0755 12.0755 k = 0.3929 0.1573 1.2837 ( 2885 PWs) bands (ev): -31.1784 -31.1784 -31.1775 -31.1775 -12.6171 -12.6171 -12.6086 -12.6086 -12.3052 -12.3052 -12.2816 -12.2816 -12.1306 -12.1306 -12.1166 -12.1166 -4.7740 -4.7740 -4.1294 -4.1294 1.0896 1.0896 1.1055 1.1055 1.3714 1.3714 1.5196 1.5196 1.5707 1.5707 5.4680 5.4680 5.9567 5.9567 6.0125 6.0125 6.3310 6.3310 6.9697 6.9697 7.2791 7.2791 9.4921 9.4921 10.6484 10.6484 11.5531 11.5531 11.9804 11.9804 k = 0.4107 0.1644 1.2759 ( 2885 PWs) bands (ev): -31.1784 -31.1784 -31.1776 -31.1776 -12.6173 -12.6173 -12.6085 -12.6085 -12.3062 -12.3062 -12.2803 -12.2803 -12.1313 -12.1313 -12.1157 -12.1157 -4.7734 -4.7734 -4.1288 -4.1288 1.0894 1.0894 1.1057 1.1057 1.3714 1.3714 1.5196 1.5196 1.5706 1.5706 5.4533 5.4533 5.9568 5.9568 6.0232 6.0232 6.3310 6.3310 6.9563 6.9563 7.2946 7.2946 9.4577 9.4577 10.7406 10.7406 11.5238 11.5238 11.8961 11.8961 k = 0.4286 0.1716 1.2682 ( 2887 PWs) bands (ev): -31.1784 -31.1784 -31.1777 -31.1777 -12.6174 -12.6174 -12.6085 -12.6085 -12.3071 -12.3071 -12.2791 -12.2791 -12.1319 -12.1319 -12.1147 -12.1147 -4.7727 -4.7727 -4.1282 -4.1282 1.0893 1.0893 1.1059 1.1059 1.3715 1.3715 1.5196 1.5196 1.5704 1.5704 5.4376 5.4376 5.9572 5.9572 6.0347 6.0347 6.3302 6.3302 6.9444 6.9444 7.3080 7.3080 9.4298 9.4298 10.8317 10.8317 11.4845 11.4845 11.8278 11.8278 k = 0.4464 0.1787 1.2605 ( 2883 PWs) bands (ev): -31.1784 -31.1784 -31.1778 -31.1778 -12.6176 -12.6176 -12.6083 -12.6083 -12.3081 -12.3081 -12.2777 -12.2777 -12.1326 -12.1326 -12.1137 -12.1137 -4.7718 -4.7718 -4.1275 -4.1275 1.0892 1.0892 1.1061 1.1061 1.3716 1.3716 1.5196 1.5196 1.5702 1.5702 5.4210 5.4210 5.9580 5.9580 6.0468 6.0468 6.3285 6.3285 6.9341 6.9341 7.3188 7.3188 9.4087 9.4087 10.9199 10.9199 11.4325 11.4325 11.7808 11.7808 k = 0.4643 0.1859 1.2528 ( 2883 PWs) bands (ev): -31.1783 -31.1783 -31.1780 -31.1780 -12.6178 -12.6178 -12.6082 -12.6082 -12.3090 -12.3090 -12.2763 -12.2763 -12.1332 -12.1332 -12.1127 -12.1127 -4.7709 -4.7709 -4.1268 -4.1268 1.0891 1.0891 1.1063 1.1063 1.3717 1.3717 1.5197 1.5197 1.5700 1.5700 5.4038 5.4038 5.9592 5.9592 6.0589 6.0589 6.3261 6.3261 6.9254 6.9254 7.3270 7.3270 9.3945 9.3945 11.0011 11.0011 11.3707 11.3707 11.7563 11.7563 k = 0.4821 0.1930 1.2451 ( 2887 PWs) bands (ev): -31.1783 -31.1783 -31.1781 -31.1781 -12.6181 -12.6181 -12.6081 -12.6081 -12.3100 -12.3100 -12.2750 -12.2750 -12.1338 -12.1338 -12.1117 -12.1117 -4.7700 -4.7700 -4.1261 -4.1261 1.0891 1.0891 1.1064 1.1064 1.3718 1.3718 1.5197 1.5197 1.5696 1.5696 5.3863 5.3863 5.9606 5.9606 6.0706 6.0706 6.3231 6.3231 6.9184 6.9184 7.3322 7.3322 9.3875 9.3875 11.0641 11.0641 11.3126 11.3126 11.7524 11.7524 k = 0.5000 0.2002 1.2374 ( 2886 PWs) bands (ev): -31.1783 -31.1783 -31.1783 -31.1783 -12.6183 -12.6183 -12.6079 -12.6079 -12.3109 -12.3109 -12.2736 -12.2736 -12.1344 -12.1344 -12.1107 -12.1107 -4.7689 -4.7689 -4.1253 -4.1253 1.0892 1.0892 1.1066 1.1066 1.3720 1.3720 1.5198 1.5198 1.5691 1.5691 5.3687 5.3687 5.9625 5.9625 6.0812 6.0812 6.3199 6.3199 6.9131 6.9131 7.3345 7.3345 9.3879 9.3879 11.0783 11.0783 11.2913 11.2913 11.7665 11.7665 k = 0.5000 0.2002 1.2374 ( 2886 PWs) bands (ev): -31.1783 -31.1783 -31.1783 -31.1783 -12.6183 -12.6183 -12.6079 -12.6079 -12.3109 -12.3109 -12.2736 -12.2736 -12.1344 -12.1344 -12.1107 -12.1107 -4.7689 -4.7689 -4.1253 -4.1253 1.0892 1.0892 1.1066 1.1066 1.3720 1.3720 1.5198 1.5198 1.5691 1.5691 5.3687 5.3687 5.9625 5.9625 6.0812 6.0812 6.3199 6.3199 6.9131 6.9131 7.3345 7.3345 9.3879 9.3879 11.0783 11.0783 11.2913 11.2913 11.7665 11.7665 k = 0.5000 0.2002 1.2161 ( 2886 PWs) bands (ev): -31.1788 -31.1788 -31.1783 -31.1783 -12.6190 -12.6190 -12.6075 -12.6075 -12.3132 -12.3132 -12.2697 -12.2697 -12.1360 -12.1360 -12.1078 -12.1078 -4.7656 -4.7656 -4.1229 -4.1229 1.0895 1.0895 1.1069 1.1069 1.3727 1.3727 1.5201 1.5201 1.5677 1.5677 5.3182 5.3182 5.9687 5.9687 6.1088 6.1088 6.3103 6.3103 6.8999 6.8999 7.3367 7.3367 9.4000 9.4000 11.0180 11.0180 11.3194 11.3194 11.8299 11.8299 k = 0.5000 0.2002 1.1948 ( 2884 PWs) bands (ev): -31.1793 -31.1793 -31.1782 -31.1782 -12.6198 -12.6198 -12.6071 -12.6071 -12.3154 -12.3154 -12.2657 -12.2657 -12.1373 -12.1373 -12.1048 -12.1048 -4.7619 -4.7619 -4.1201 -4.1201 1.0899 1.0899 1.1074 1.1074 1.3735 1.3735 1.5204 1.5204 1.5660 1.5660 5.2644 5.2644 5.9759 5.9759 6.1357 6.1357 6.2990 6.2990 6.8849 6.8849 7.3393 7.3393 9.4143 9.4143 10.9580 10.9580 11.3522 11.3522 11.8943 11.8943 k = 0.5000 0.2002 1.1734 ( 2880 PWs) bands (ev): -31.1799 -31.1799 -31.1782 -31.1782 -12.6207 -12.6207 -12.6066 -12.6066 -12.3173 -12.3173 -12.2618 -12.2618 -12.1383 -12.1383 -12.1018 -12.1018 -4.7577 -4.7577 -4.1171 -4.1171 1.0904 1.0904 1.1079 1.1079 1.3744 1.3744 1.5207 1.5207 1.5642 1.5642 5.2084 5.2084 5.9843 5.9843 6.1613 6.1613 6.2862 6.2862 6.8685 6.8685 7.3423 7.3423 9.4307 9.4307 10.8990 10.8990 11.3897 11.3897 11.9594 11.9594 k = 0.5000 0.2002 1.1521 ( 2880 PWs) bands (ev): -31.1807 -31.1807 -31.1781 -31.1781 -12.6215 -12.6215 -12.6062 -12.6062 -12.3188 -12.3188 -12.2580 -12.2580 -12.1392 -12.1392 -12.0987 -12.0987 -4.7531 -4.7531 -4.1139 -4.1139 1.0909 1.0909 1.1084 1.1084 1.3754 1.3754 1.5210 1.5210 1.5621 1.5621 5.1507 5.1507 5.9937 5.9937 6.1849 6.1849 6.2718 6.2718 6.8510 6.8510 7.3458 7.3458 9.4494 9.4494 10.8413 10.8413 11.4318 11.4318 12.0252 12.0252 k = 0.5000 0.2002 1.1308 ( 2880 PWs) bands (ev): -31.1814 -31.1814 -31.1781 -31.1781 -12.6224 -12.6224 -12.6057 -12.6057 -12.3201 -12.3201 -12.2542 -12.2542 -12.1398 -12.1398 -12.0956 -12.0956 -4.7482 -4.7482 -4.1104 -4.1104 1.0914 1.0914 1.1089 1.1089 1.3765 1.3765 1.5213 1.5213 1.5597 1.5597 5.0921 5.0921 6.0041 6.0041 6.2062 6.2062 6.2560 6.2560 6.8327 6.8327 7.3498 7.3498 9.4702 9.4702 10.7854 10.7854 11.4783 11.4783 12.0913 12.0913 k = 0.5000 0.2002 1.1094 ( 2876 PWs) bands (ev): -31.1823 -31.1823 -31.1780 -31.1780 -12.6233 -12.6233 -12.6053 -12.6053 -12.3211 -12.3211 -12.2505 -12.2505 -12.1401 -12.1401 -12.0925 -12.0925 -4.7430 -4.7430 -4.1069 -4.1069 1.0920 1.0920 1.1096 1.1096 1.3778 1.3778 1.5216 1.5216 1.5573 1.5573 5.0329 5.0329 6.0156 6.0156 6.2241 6.2241 6.2398 6.2398 6.8139 6.8139 7.3542 7.3542 9.4933 9.4933 10.7315 10.7315 11.5290 11.5290 12.1577 12.1577 k = 0.5000 0.2002 1.0881 ( 2880 PWs) bands (ev): -31.1833 -31.1833 -31.1780 -31.1780 -12.6243 -12.6243 -12.6048 -12.6048 -12.3218 -12.3218 -12.2469 -12.2469 -12.1401 -12.1401 -12.0893 -12.0893 -4.7377 -4.7377 -4.1033 -4.1033 1.0926 1.0926 1.1102 1.1102 1.3791 1.3791 1.5219 1.5219 1.5546 1.5546 4.9736 4.9736 6.0282 6.0282 6.2183 6.2183 6.2433 6.2433 6.7951 6.7951 7.3592 7.3592 9.5185 9.5185 10.6799 10.6799 11.5839 11.5839 12.2241 12.2241 k = 0.5000 0.2002 1.0668 ( 2880 PWs) bands (ev): -31.1843 -31.1843 -31.1779 -31.1779 -12.6253 -12.6253 -12.6043 -12.6043 -12.3221 -12.3221 -12.2435 -12.2435 -12.1398 -12.1398 -12.0861 -12.0861 -4.7322 -4.7322 -4.0997 -4.0997 1.0932 1.0932 1.1109 1.1109 1.3805 1.3805 1.5221 1.5221 1.5518 1.5518 4.9144 4.9144 6.0417 6.0417 6.1988 6.1988 6.2568 6.2568 6.7765 6.7765 7.3647 7.3647 9.5459 9.5459 10.6310 10.6310 11.6427 11.6427 12.2903 12.2903 k = 0.5000 0.2002 1.0454 ( 2880 PWs) bands (ev): -31.1854 -31.1854 -31.1778 -31.1778 -12.6263 -12.6263 -12.6037 -12.6037 -12.3220 -12.3220 -12.2402 -12.2402 -12.1393 -12.1393 -12.0829 -12.0829 -4.7267 -4.7267 -4.0962 -4.0962 1.0939 1.0939 1.1116 1.1116 1.3821 1.3821 1.5223 1.5223 1.5488 1.5488 4.8556 4.8556 6.0561 6.0561 6.1779 6.1779 6.2682 6.2682 6.7586 6.7586 7.3707 7.3707 9.5756 9.5756 10.5848 10.5848 11.7053 11.7053 12.3559 12.3559 k = 0.5000 0.2002 1.0241 ( 2884 PWs) bands (ev): -31.1865 -31.1865 -31.1778 -31.1778 -12.6273 -12.6273 -12.6032 -12.6032 -12.3217 -12.3217 -12.2371 -12.2371 -12.1384 -12.1384 -12.0797 -12.0797 -4.7212 -4.7212 -4.0930 -4.0930 1.0947 1.0947 1.1123 1.1123 1.3837 1.3837 1.5224 1.5224 1.5457 1.5457 4.7974 4.7974 6.0713 6.0713 6.1561 6.1561 6.2773 6.2773 6.7415 6.7415 7.3772 7.3772 9.6075 9.6075 10.5417 10.5417 11.7715 11.7715 12.4208 12.4208 k = 0.5000 0.2002 1.0028 ( 2884 PWs) bands (ev): -31.1877 -31.1877 -31.1777 -31.1777 -12.6283 -12.6283 -12.6025 -12.6025 -12.3210 -12.3210 -12.2342 -12.2342 -12.1371 -12.1371 -12.0765 -12.0765 -4.7158 -4.7158 -4.0899 -4.0899 1.0954 1.0954 1.1130 1.1130 1.3854 1.3854 1.5224 1.5224 1.5425 1.5425 4.7402 4.7402 6.0863 6.0863 6.1345 6.1345 6.2842 6.2842 6.7256 6.7256 7.3844 7.3844 9.6415 9.6415 10.5017 10.5017 11.8410 11.8410 12.4844 12.4844 k = 0.5000 0.2002 0.9814 ( 2880 PWs) bands (ev): -31.1890 -31.1890 -31.1776 -31.1776 -12.6294 -12.6294 -12.6017 -12.6017 -12.3199 -12.3199 -12.2315 -12.2315 -12.1356 -12.1356 -12.0732 -12.0732 -4.7107 -4.7107 -4.0873 -4.0873 1.0962 1.0962 1.1137 1.1137 1.3872 1.3872 1.5223 1.5223 1.5393 1.5393 4.6840 4.6840 6.0940 6.0940 6.1204 6.1204 6.2891 6.2891 6.7112 6.7112 7.3921 7.3921 9.6777 9.6777 10.4651 10.4651 11.9138 11.9138 12.5466 12.5466 k = 0.5000 0.2002 0.9601 ( 2880 PWs) bands (ev): -31.1903 -31.1903 -31.1775 -31.1775 -12.6305 -12.6305 -12.6009 -12.6009 -12.3185 -12.3185 -12.2289 -12.2289 -12.1337 -12.1337 -12.0700 -12.0700 -4.7058 -4.7058 -4.0850 -4.0850 1.0970 1.0970 1.1144 1.1144 1.3891 1.3891 1.5220 1.5220 1.5360 1.5360 4.6289 4.6289 6.0780 6.0780 6.1305 6.1305 6.2923 6.2923 6.6985 6.6985 7.4005 7.4005 9.7161 9.7161 10.4317 10.4317 11.9895 11.9895 12.6070 12.6070 k = 0.5000 0.2002 0.9388 ( 2888 PWs) bands (ev): -31.1917 -31.1917 -31.1774 -31.1774 -12.6316 -12.6316 -12.5999 -12.5999 -12.3169 -12.3169 -12.2265 -12.2265 -12.1316 -12.1316 -12.0667 -12.0667 -4.7012 -4.7012 -4.0832 -4.0832 1.0978 1.0978 1.1151 1.1151 1.3910 1.3910 1.5216 1.5216 1.5326 1.5326 4.5752 4.5752 6.0544 6.0544 6.1487 6.1487 6.2940 6.2940 6.6876 6.6876 7.4095 7.4095 9.7566 9.7566 10.4018 10.4018 12.0681 12.0681 12.6653 12.6653 k = 0.5000 0.2002 0.9174 ( 2888 PWs) bands (ev): -31.1932 -31.1932 -31.1774 -31.1774 -12.6327 -12.6327 -12.5988 -12.5988 -12.3148 -12.3148 -12.2243 -12.2243 -12.1292 -12.1292 -12.0634 -12.0634 -4.6971 -4.6971 -4.0821 -4.0821 1.0987 1.0987 1.1158 1.1158 1.3930 1.3930 1.5210 1.5210 1.5293 1.5293 4.5230 4.5230 6.0297 6.0297 6.1690 6.1690 6.2946 6.2946 6.6788 6.6788 7.4192 7.4192 9.7993 9.7993 10.3752 10.3752 12.1492 12.1492 12.7211 12.7211 k = 0.5000 0.2002 0.8961 ( 2900 PWs) bands (ev): -31.1947 -31.1947 -31.1773 -31.1773 -12.6339 -12.6339 -12.5976 -12.5976 -12.3126 -12.3126 -12.2222 -12.2222 -12.1265 -12.1265 -12.0602 -12.0602 -4.6934 -4.6934 -4.0816 -4.0816 1.0995 1.0995 1.1165 1.1165 1.3950 1.3950 1.5202 1.5202 1.5259 1.5259 4.4722 4.4722 6.0046 6.0046 6.1905 6.1905 6.2943 6.2943 6.6721 6.6721 7.4295 7.4295 9.8441 9.8441 10.3521 10.3521 12.2327 12.2327 12.7743 12.7743 k = 0.5000 0.2002 0.8747 ( 2900 PWs) bands (ev): -31.1962 -31.1962 -31.1772 -31.1772 -12.6350 -12.6350 -12.5962 -12.5962 -12.3100 -12.3100 -12.2202 -12.2202 -12.1236 -12.1236 -12.0570 -12.0570 -4.6904 -4.6904 -4.0817 -4.0817 1.1004 1.1004 1.1171 1.1171 1.3971 1.3971 1.5191 1.5191 1.5227 1.5227 4.4230 4.4230 5.9796 5.9796 6.2132 6.2132 6.2936 6.2936 6.6678 6.6678 7.4406 7.4406 9.8909 9.8909 10.3323 10.3323 12.3184 12.3184 12.8247 12.8247 k = 0.5000 0.2002 0.8534 ( 2894 PWs) bands (ev): -31.1978 -31.1978 -31.1771 -31.1771 -12.6360 -12.6360 -12.5947 -12.5947 -12.3071 -12.3071 -12.2183 -12.2183 -12.1205 -12.1205 -12.0537 -12.0537 -4.6879 -4.6879 -4.0827 -4.0827 1.1013 1.1013 1.1177 1.1177 1.3993 1.3993 1.5177 1.5177 1.5197 1.5197 4.3754 4.3754 5.9551 5.9551 6.2369 6.2369 6.2929 6.2929 6.6660 6.6660 7.4523 7.4523 9.9398 9.9398 10.3159 10.3159 12.4061 12.4061 12.8720 12.8720 k = 0.5000 0.2002 0.8321 ( 2894 PWs) bands (ev): -31.1994 -31.1994 -31.1770 -31.1770 -12.6371 -12.6371 -12.5929 -12.5929 -12.3040 -12.3040 -12.2164 -12.2164 -12.1172 -12.1172 -12.0505 -12.0505 -4.6861 -4.6861 -4.0846 -4.0846 1.1023 1.1023 1.1183 1.1183 1.4014 1.4014 1.5154 1.5154 1.5173 1.5173 4.3294 4.3294 5.9310 5.9310 6.2613 6.2613 6.2927 6.2927 6.6667 6.6667 7.4649 7.4649 9.9908 9.9908 10.3026 10.3026 12.4956 12.4956 12.9161 12.9161 k = 0.5000 0.2002 0.8107 ( 2900 PWs) bands (ev): -31.2010 -31.2010 -31.1769 -31.1769 -12.6382 -12.6382 -12.5910 -12.5910 -12.3008 -12.3008 -12.2146 -12.2146 -12.1138 -12.1138 -12.0472 -12.0472 -4.6850 -4.6850 -4.0873 -4.0873 1.1032 1.1032 1.1187 1.1187 1.4035 1.4035 1.5125 1.5125 1.5155 1.5155 4.2851 4.2851 5.9077 5.9077 6.2846 6.2846 6.2953 6.2953 6.6700 6.6700 7.4781 7.4781 10.0436 10.0436 10.2926 10.2926 12.5865 12.5865 12.9568 12.9568 k = 0.5000 0.2002 0.7894 ( 2904 PWs) bands (ev): -31.2027 -31.2027 -31.1768 -31.1768 -12.6392 -12.6392 -12.5890 -12.5890 -12.2973 -12.2973 -12.2128 -12.2128 -12.1103 -12.1103 -12.0440 -12.0440 -4.6848 -4.6848 -4.0910 -4.0910 1.1041 1.1041 1.1192 1.1192 1.4056 1.4056 1.5094 1.5094 1.5136 1.5136 4.2423 4.2423 5.8853 5.8853 6.2919 6.2919 6.3158 6.3158 6.6761 6.6761 7.4921 7.4921 10.0984 10.0984 10.2856 10.2856 12.6788 12.6788 12.9941 12.9941 k = 0.5000 0.2002 0.7681 ( 2906 PWs) bands (ev): -31.2044 -31.2044 -31.1768 -31.1768 -12.6402 -12.6402 -12.5867 -12.5867 -12.2937 -12.2937 -12.2110 -12.2110 -12.1067 -12.1067 -12.0408 -12.0408 -4.6853 -4.6853 -4.0956 -4.0956 1.1051 1.1051 1.1196 1.1196 1.4077 1.4077 1.5064 1.5064 1.5116 1.5116 4.2011 4.2011 5.8638 5.8638 6.2949 6.2949 6.3431 6.3431 6.6849 6.6849 7.5069 7.5069 10.1548 10.1548 10.2817 10.2817 12.7720 12.7720 13.0277 13.0277 k = 0.5000 0.2002 0.7467 ( 2906 PWs) bands (ev): -31.2061 -31.2061 -31.1767 -31.1767 -12.6412 -12.6412 -12.5843 -12.5843 -12.2899 -12.2899 -12.2092 -12.2092 -12.1031 -12.1031 -12.0375 -12.0375 -4.6866 -4.6866 -4.1012 -4.1012 1.1060 1.1060 1.1199 1.1199 1.4097 1.4097 1.5035 1.5035 1.5095 1.5095 4.1614 4.1614 5.8436 5.8436 6.2992 6.2992 6.3717 6.3717 6.6966 6.6966 7.5224 7.5224 10.2126 10.2126 10.2810 10.2810 12.8659 12.8659 13.0576 13.0576 k = 0.5000 0.2002 0.7254 ( 2902 PWs) bands (ev): -31.2078 -31.2078 -31.1766 -31.1766 -12.6421 -12.6421 -12.5816 -12.5816 -12.2860 -12.2860 -12.2072 -12.2072 -12.0994 -12.0994 -12.0342 -12.0342 -4.6888 -4.6888 -4.1079 -4.1079 1.1069 1.1069 1.1202 1.1202 1.4117 1.4117 1.5006 1.5006 1.5074 1.5074 4.1232 4.1232 5.8245 5.8245 6.3054 6.3054 6.4014 6.4014 6.7113 6.7113 7.5387 7.5387 10.2665 10.2665 10.2887 10.2887 12.9601 12.9601 13.0834 13.0834 k = 0.5000 0.2002 0.7041 ( 2894 PWs) bands (ev): -31.2095 -31.2095 -31.1765 -31.1765 -12.6429 -12.6429 -12.5787 -12.5787 -12.2820 -12.2820 -12.2052 -12.2052 -12.0957 -12.0957 -12.0309 -12.0309 -4.6918 -4.6918 -4.1156 -4.1156 1.1078 1.1078 1.1204 1.1204 1.4137 1.4137 1.4977 1.4977 1.5052 1.5052 4.0864 4.0864 5.8067 5.8067 6.3139 6.3139 6.4321 6.4321 6.7290 6.7290 7.5559 7.5559 10.2823 10.2823 10.3387 10.3387 13.0540 13.0540 13.0978 13.0978 k = 0.5000 0.2002 0.6827 ( 2886 PWs) bands (ev): -31.2113 -31.2113 -31.1764 -31.1764 -12.6437 -12.6437 -12.5757 -12.5757 -12.2781 -12.2781 -12.2030 -12.2030 -12.0920 -12.0920 -12.0275 -12.0275 -4.6957 -4.6957 -4.1243 -4.1243 1.1087 1.1087 1.1206 1.1206 1.4155 1.4155 1.4947 1.4947 1.5032 1.5032 4.0508 4.0508 5.7902 5.7902 6.3249 6.3249 6.4637 6.4637 6.7497 6.7497 7.5737 7.5737 10.2895 10.2895 10.4012 10.4012 12.9986 12.9986 13.1220 13.1220 k = 0.5000 0.2002 0.6614 ( 2886 PWs) bands (ev): -31.2130 -31.2130 -31.1763 -31.1763 -12.6444 -12.6444 -12.5725 -12.5725 -12.2742 -12.2742 -12.2007 -12.2007 -12.0884 -12.0884 -12.0241 -12.0241 -4.7005 -4.7005 -4.1340 -4.1340 1.1095 1.1095 1.1206 1.1206 1.4172 1.4172 1.4916 1.4916 1.5013 1.5013 4.0165 4.0165 5.7749 5.7749 6.3388 6.3388 6.4963 6.4963 6.7735 6.7735 7.5924 7.5924 10.2983 10.2983 10.4658 10.4658 12.8980 12.8980 13.1344 13.1344 k = 0.5000 0.2002 0.6401 ( 2882 PWs) bands (ev): -31.2147 -31.2147 -31.1762 -31.1762 -12.6451 -12.6451 -12.5691 -12.5691 -12.2703 -12.2703 -12.1982 -12.1982 -12.0849 -12.0849 -12.0207 -12.0207 -4.7060 -4.7060 -4.1447 -4.1447 1.1103 1.1103 1.1206 1.1206 1.4188 1.4188 1.4884 1.4884 1.4996 1.4996 3.9834 3.9834 5.7610 5.7610 6.3556 6.3556 6.5298 6.5298 6.8004 6.8004 7.6118 7.6118 10.3090 10.3090 10.5319 10.5319 12.7959 12.7959 13.1416 13.1416 k = 0.5000 0.2002 0.6187 ( 2890 PWs) bands (ev): -31.2165 -31.2165 -31.1761 -31.1761 -12.6457 -12.6457 -12.5656 -12.5656 -12.2666 -12.2666 -12.1955 -12.1955 -12.0816 -12.0816 -12.0172 -12.0172 -4.7124 -4.7124 -4.1563 -4.1563 1.1110 1.1110 1.1205 1.1205 1.4202 1.4202 1.4849 1.4849 1.4983 1.4983 3.9513 3.9513 5.7484 5.7484 6.3756 6.3756 6.5642 6.5642 6.8304 6.8304 7.6318 7.6318 10.3217 10.3217 10.5993 10.5993 12.6927 12.6927 13.1432 13.1432 k = 0.5000 0.2002 0.5974 ( 2894 PWs) bands (ev): -31.2182 -31.2182 -31.1760 -31.1760 -12.6463 -12.6463 -12.5619 -12.5619 -12.2630 -12.2630 -12.1927 -12.1927 -12.0784 -12.0784 -12.0137 -12.0137 -4.7195 -4.7195 -4.1688 -4.1688 1.1116 1.1116 1.1204 1.1204 1.4215 1.4215 1.4813 1.4813 1.4972 1.4972 3.9203 3.9203 5.7371 5.7371 6.3988 6.3988 6.5995 6.5995 6.8636 6.8636 7.6526 7.6526 10.3362 10.3362 10.6677 10.6677 12.5887 12.5887 13.1390 13.1390 k = 0.5000 0.2002 0.5761 ( 2902 PWs) bands (ev): -31.2199 -31.2199 -31.1760 -31.1760 -12.6468 -12.6468 -12.5580 -12.5580 -12.2596 -12.2596 -12.1896 -12.1896 -12.0754 -12.0754 -12.0101 -12.0101 -4.7274 -4.7274 -4.1821 -4.1821 1.1121 1.1121 1.1201 1.1201 1.4227 1.4227 1.4776 1.4776 1.4964 1.4964 3.8903 3.8903 5.7269 5.7269 6.4252 6.4252 6.6356 6.6356 6.8999 6.8999 7.6741 7.6741 10.3525 10.3525 10.7370 10.7370 12.4843 12.4843 13.1289 13.1289 k = 0.5000 0.2002 0.5547 ( 2908 PWs) bands (ev): -31.2216 -31.2216 -31.1759 -31.1759 -12.6473 -12.6473 -12.5540 -12.5540 -12.2564 -12.2564 -12.1862 -12.1862 -12.0725 -12.0725 -12.0064 -12.0064 -4.7359 -4.7359 -4.1963 -4.1963 1.1125 1.1125 1.1198 1.1198 1.4237 1.4237 1.4738 1.4738 1.4960 1.4960 3.8612 3.8612 5.7180 5.7180 6.4550 6.4550 6.6726 6.6726 6.9393 6.9393 7.6962 7.6962 10.3703 10.3703 10.8069 10.8069 12.3801 12.3801 13.1128 13.1128 k = 0.5000 0.2002 0.5334 ( 2912 PWs) bands (ev): -31.2233 -31.2233 -31.1758 -31.1758 -12.6477 -12.6477 -12.5499 -12.5499 -12.2535 -12.2535 -12.1826 -12.1826 -12.0699 -12.0699 -12.0027 -12.0027 -4.7450 -4.7450 -4.2111 -4.2111 1.1128 1.1128 1.1194 1.1194 1.4246 1.4246 1.4699 1.4699 1.4958 1.4958 3.8330 3.8330 5.7101 5.7101 6.4880 6.4880 6.7103 6.7103 6.9817 6.9817 7.7189 7.7189 10.3895 10.3895 10.8771 10.8771 12.2763 12.2763 13.0909 13.0909 k = 0.5000 0.2002 0.5120 ( 2904 PWs) bands (ev): -31.2249 -31.2249 -31.1758 -31.1758 -12.6480 -12.6480 -12.5456 -12.5456 -12.2507 -12.2507 -12.1788 -12.1788 -12.0674 -12.0674 -11.9988 -11.9988 -4.7547 -4.7547 -4.2265 -4.2265 1.1131 1.1131 1.1191 1.1191 1.4255 1.4255 1.4661 1.4661 1.4959 1.4959 3.8057 3.8057 5.7033 5.7033 6.5243 6.5243 6.7488 6.7488 7.0270 7.0270 7.7421 7.7421 10.4101 10.4101 10.9472 10.9472 12.1736 12.1736 13.0634 13.0634 k = 0.5000 0.2002 0.4907 ( 2900 PWs) bands (ev): -31.2265 -31.2265 -31.1757 -31.1757 -12.6483 -12.6483 -12.5412 -12.5412 -12.2482 -12.2482 -12.1747 -12.1747 -12.0652 -12.0652 -11.9948 -11.9948 -4.7648 -4.7648 -4.2424 -4.2424 1.1132 1.1132 1.1186 1.1186 1.4262 1.4262 1.4623 1.4623 1.4963 1.4963 3.7792 3.7792 5.6975 5.6975 6.5636 6.5636 6.7879 6.7879 7.0752 7.0752 7.7658 7.7658 10.4318 10.4318 11.0168 11.0168 12.0724 12.0724 13.0308 13.0308 k = 0.5000 0.2002 0.4694 ( 2896 PWs) bands (ev): -31.2281 -31.2281 -31.1756 -31.1756 -12.6484 -12.6484 -12.5367 -12.5367 -12.2460 -12.2460 -12.1704 -12.1704 -12.0632 -12.0632 -11.9909 -11.9909 -4.7754 -4.7754 -4.2588 -4.2588 1.1133 1.1133 1.1181 1.1181 1.4268 1.4268 1.4585 1.4585 1.4968 1.4968 3.7536 3.7536 5.6926 5.6926 6.6058 6.6058 6.8276 6.8276 7.1260 7.1260 7.7899 7.7899 10.4546 10.4546 11.0851 11.0851 11.9737 11.9737 12.9936 12.9936 k = 0.5000 0.2002 0.4480 ( 2900 PWs) bands (ev): -31.2297 -31.2297 -31.1755 -31.1755 -12.6487 -12.6487 -12.5321 -12.5321 -12.2441 -12.2441 -12.1660 -12.1660 -12.0614 -12.0614 -11.9868 -11.9868 -4.7863 -4.7863 -4.2755 -4.2755 1.1131 1.1131 1.1176 1.1176 1.4274 1.4274 1.4548 1.4548 1.4975 1.4975 3.7289 3.7289 5.6885 5.6885 6.6507 6.6507 6.8678 6.8678 7.1794 7.1794 7.8144 7.8144 10.4782 10.4782 11.1506 11.1506 11.8787 11.8787 12.9526 12.9526 k = 0.5000 0.2002 0.4267 ( 2910 PWs) bands (ev): -31.2312 -31.2312 -31.1755 -31.1755 -12.6489 -12.6489 -12.5275 -12.5275 -12.2424 -12.2424 -12.1615 -12.1615 -12.0600 -12.0600 -11.9828 -11.9828 -4.7974 -4.7974 -4.2924 -4.2924 1.1129 1.1129 1.1169 1.1169 1.4278 1.4278 1.4512 1.4512 1.4982 1.4982 3.7050 3.7050 5.6851 5.6851 6.6980 6.6980 6.9085 6.9085 7.2351 7.2351 7.8390 7.8390 10.5024 10.5024 11.2112 11.2112 11.7899 11.7899 12.9083 12.9083 k = 0.5000 0.2002 0.4054 ( 2904 PWs) bands (ev): -31.2326 -31.2326 -31.1754 -31.1754 -12.6490 -12.6490 -12.5228 -12.5228 -12.2409 -12.2409 -12.1568 -12.1568 -12.0587 -12.0587 -11.9786 -11.9786 -4.8087 -4.8087 -4.3094 -4.3094 1.1126 1.1126 1.1163 1.1163 1.4282 1.4282 1.4478 1.4478 1.4992 1.4992 3.6820 3.6820 5.6824 5.6824 6.7474 6.7474 6.9495 6.9495 7.2928 7.2928 7.8639 7.8639 10.5272 10.5272 11.2619 11.2619 11.7123 11.7123 12.8616 12.8616 k = 0.5000 0.2002 0.3840 ( 2904 PWs) bands (ev): -31.2340 -31.2340 -31.1754 -31.1754 -12.6491 -12.6491 -12.5181 -12.5181 -12.2397 -12.2397 -12.1520 -12.1520 -12.0577 -12.0577 -11.9745 -11.9745 -4.8201 -4.8201 -4.3265 -4.3265 1.1121 1.1121 1.1157 1.1157 1.4286 1.4286 1.4445 1.4445 1.5003 1.5003 3.6599 3.6599 5.6804 5.6804 6.7987 6.7987 6.9907 6.9907 7.3523 7.3523 7.8888 7.8888 10.5523 10.5523 11.2926 11.2926 11.6558 11.6558 12.8132 12.8132 k = 0.5000 0.2002 0.3627 ( 2900 PWs) bands (ev): -31.2353 -31.2353 -31.1753 -31.1753 -12.6492 -12.6492 -12.5134 -12.5134 -12.2387 -12.2387 -12.1472 -12.1472 -12.0569 -12.0569 -11.9705 -11.9705 -4.8315 -4.8315 -4.3434 -4.3434 1.1116 1.1116 1.1151 1.1151 1.4289 1.4289 1.4414 1.4414 1.5014 1.5014 3.6388 3.6388 5.6788 5.6788 6.8514 6.8514 7.0319 7.0319 7.4133 7.4133 7.9136 7.9136 10.5775 10.5775 11.2893 11.2893 11.6347 11.6347 12.7637 12.7637 k = 0.5000 0.2002 0.3414 ( 2898 PWs) bands (ev): -31.2366 -31.2366 -31.1753 -31.1753 -12.6492 -12.6492 -12.5087 -12.5087 -12.2378 -12.2378 -12.1423 -12.1423 -12.0563 -12.0563 -11.9664 -11.9664 -4.8427 -4.8427 -4.3600 -4.3600 1.1110 1.1110 1.1144 1.1144 1.4292 1.4292 1.4386 1.4386 1.5025 1.5025 3.6186 3.6186 5.6778 5.6778 6.9050 6.9050 7.0731 7.0731 7.4754 7.4754 7.9382 7.9382 10.6027 10.6027 11.2495 11.2495 11.6513 11.6513 12.7138 12.7138 k = 0.5000 0.2002 0.3200 ( 2898 PWs) bands (ev): -31.2378 -31.2378 -31.1752 -31.1752 -12.6493 -12.6493 -12.5041 -12.5041 -12.2372 -12.2372 -12.1375 -12.1375 -12.0560 -12.0560 -11.9625 -11.9625 -4.8538 -4.8538 -4.3764 -4.3764 1.1103 1.1103 1.1137 1.1137 1.4293 1.4293 1.4359 1.4359 1.5037 1.5037 3.5995 3.5995 5.6771 5.6771 6.9594 6.9594 7.1140 7.1140 7.5382 7.5382 7.9625 7.9625 10.6275 10.6275 11.1874 11.1874 11.6915 11.6915 12.6642 12.6642 k = 0.5000 0.2002 0.2987 ( 2898 PWs) bands (ev): -31.2390 -31.2390 -31.1752 -31.1752 -12.6493 -12.6493 -12.4995 -12.4995 -12.2367 -12.2367 -12.1327 -12.1327 -12.0559 -12.0559 -11.9586 -11.9586 -4.8646 -4.8646 -4.3922 -4.3922 1.1095 1.1095 1.1130 1.1130 1.4292 1.4292 1.4337 1.4337 1.5048 1.5048 3.5813 3.5813 5.6768 5.6768 7.0138 7.0138 7.1544 7.1544 7.6013 7.6013 7.9864 7.9864 10.6517 10.6517 11.1158 11.1158 11.7422 11.7422 12.6153 12.6153 k = 0.5000 0.2002 0.2774 ( 2900 PWs) bands (ev): -31.2401 -31.2401 -31.1751 -31.1751 -12.6493 -12.6493 -12.4951 -12.4951 -12.2364 -12.2364 -12.1280 -12.1280 -12.0560 -12.0560 -11.9549 -11.9549 -4.8751 -4.8751 -4.4075 -4.4075 1.1087 1.1087 1.1123 1.1123 1.4286 1.4286 1.4322 1.4322 1.5060 1.5060 3.5643 3.5643 5.6767 5.6767 7.0678 7.0678 7.1942 7.1942 7.6642 7.6642 8.0096 8.0096 10.6752 10.6752 11.0415 11.0415 11.7969 11.7969 12.5678 12.5678 k = 0.5000 0.2002 0.2560 ( 2900 PWs) bands (ev): -31.2411 -31.2411 -31.1751 -31.1751 -12.6494 -12.6494 -12.4908 -12.4908 -12.2362 -12.2362 -12.1233 -12.1233 -12.0563 -12.0563 -11.9513 -11.9513 -4.8852 -4.8852 -4.4222 -4.4222 1.1079 1.1079 1.1117 1.1117 1.4272 1.4272 1.4317 1.4317 1.5071 1.5071 3.5484 3.5484 5.6769 5.6769 7.1210 7.1210 7.2331 7.2331 7.7263 7.7263 8.0320 8.0320 10.6977 10.6977 10.9678 10.9678 11.8523 11.8523 12.5222 12.5222 k = 0.5000 0.2002 0.2347 ( 2904 PWs) bands (ev): -31.2421 -31.2421 -31.1751 -31.1751 -12.6494 -12.6494 -12.4867 -12.4867 -12.2361 -12.2361 -12.1188 -12.1188 -12.0568 -12.0568 -11.9480 -11.9480 -4.8947 -4.8947 -4.4361 -4.4361 1.1071 1.1071 1.1110 1.1110 1.4255 1.4255 1.4316 1.4316 1.5081 1.5081 3.5336 3.5336 5.6773 5.6773 7.1727 7.1727 7.2707 7.2707 7.7870 7.7870 8.0536 8.0536 10.7190 10.7190 10.8963 10.8963 11.9066 11.9066 12.4790 12.4790 k = 0.5000 0.2002 0.2134 ( 2904 PWs) bands (ev): -31.2430 -31.2430 -31.1751 -31.1751 -12.6494 -12.6494 -12.4827 -12.4827 -12.2361 -12.2361 -12.1144 -12.1144 -12.0575 -12.0575 -11.9447 -11.9447 -4.9037 -4.9037 -4.4491 -4.4491 1.1063 1.1063 1.1104 1.1104 1.4239 1.4239 1.4317 1.4317 1.5091 1.5091 3.5199 3.5199 5.6777 5.6777 7.2223 7.2223 7.3070 7.3070 7.8458 7.8458 8.0740 8.0740 10.7388 10.7388 10.8283 10.8283 11.9587 11.9587 12.4386 12.4386 k = 0.5000 0.2002 0.1920 ( 2908 PWs) bands (ev): -31.2438 -31.2438 -31.1750 -31.1750 -12.6494 -12.6494 -12.4791 -12.4791 -12.2362 -12.2362 -12.1101 -12.1101 -12.0584 -12.0584 -11.9418 -11.9418 -4.9120 -4.9120 -4.4611 -4.4611 1.1055 1.1055 1.1098 1.1098 1.4223 1.4223 1.4318 1.4318 1.5100 1.5100 3.5075 3.5075 5.6783 5.6783 7.2693 7.2693 7.3415 7.3415 7.9020 7.9020 8.0932 8.0932 10.7569 10.7569 10.7644 10.7644 12.0077 12.0077 12.4013 12.4013 k = 0.5000 0.2002 0.1707 ( 2918 PWs) bands (ev): -31.2445 -31.2445 -31.1750 -31.1750 -12.6495 -12.6495 -12.4757 -12.4757 -12.2364 -12.2364 -12.1060 -12.1060 -12.0596 -12.0596 -11.9391 -11.9391 -4.9197 -4.9197 -4.4722 -4.4722 1.1048 1.1048 1.1092 1.1092 1.4209 1.4209 1.4320 1.4320 1.5108 1.5108 3.4963 3.4963 5.6789 5.6789 7.3131 7.3131 7.3739 7.3739 7.9547 7.9547 8.1110 8.1110 10.7053 10.7053 10.7733 10.7733 12.0531 12.0531 12.3675 12.3675 k = 0.5000 0.2002 0.1493 ( 2918 PWs) bands (ev): -31.2451 -31.2451 -31.1750 -31.1750 -12.6495 -12.6495 -12.4726 -12.4726 -12.2365 -12.2365 -12.1021 -12.1021 -12.0608 -12.0608 -11.9366 -11.9366 -4.9265 -4.9265 -4.4821 -4.4821 1.1041 1.1041 1.1087 1.1087 1.4197 1.4197 1.4321 1.4321 1.5115 1.5115 3.4864 3.4864 5.6796 5.6796 7.3529 7.3529 7.4041 7.4041 8.0035 8.0035 8.1273 8.1273 10.6518 10.6518 10.7877 10.7877 12.0944 12.0944 12.3376 12.3376 k = 0.5000 0.2002 0.1280 ( 2918 PWs) bands (ev): -31.2457 -31.2457 -31.1750 -31.1750 -12.6495 -12.6495 -12.4698 -12.4698 -12.2368 -12.2368 -12.0983 -12.0983 -12.0622 -12.0622 -11.9345 -11.9345 -4.9326 -4.9326 -4.4908 -4.4908 1.1034 1.1034 1.1083 1.1083 1.4186 1.4186 1.4323 1.4323 1.5122 1.5122 3.4777 3.4777 5.6802 5.6802 7.3883 7.3883 7.4316 7.4316 8.0474 8.0474 8.1420 8.1420 10.6042 10.6042 10.8002 10.8002 12.1309 12.1309 12.3116 12.3116 k = 0.5000 0.2002 0.1067 ( 2912 PWs) bands (ev): -31.2462 -31.2462 -31.1749 -31.1749 -12.6495 -12.6495 -12.4674 -12.4674 -12.2370 -12.2370 -12.0948 -12.0948 -12.0637 -12.0637 -11.9325 -11.9325 -4.9378 -4.9378 -4.4983 -4.4983 1.1029 1.1029 1.1079 1.1079 1.4178 1.4178 1.4325 1.4325 1.5128 1.5128 3.4704 3.4704 5.6807 5.6807 7.4186 7.4186 7.4563 7.4563 8.0856 8.0856 8.1550 8.1550 10.5630 10.5630 10.8106 10.8106 12.1624 12.1624 12.2897 12.2898 k = 0.5000 0.2002 0.0853 ( 2916 PWs) bands (ev): -31.2465 -31.2465 -31.1749 -31.1749 -12.6495 -12.6495 -12.4654 -12.4654 -12.2372 -12.2372 -12.0915 -12.0915 -12.0653 -12.0653 -11.9310 -11.9310 -4.9421 -4.9421 -4.5045 -4.5045 1.1024 1.1024 1.1076 1.1076 1.4170 1.4170 1.4326 1.4326 1.5132 1.5132 3.4644 3.4644 5.6812 5.6812 7.4435 7.4435 7.4776 7.4776 8.1174 8.1174 8.1664 8.1664 10.5286 10.5286 10.8190 10.8190 12.1883 12.1883 12.2723 12.2723 k = 0.5000 0.2002 0.0640 ( 2908 PWs) bands (ev): -31.2468 -31.2468 -31.1749 -31.1749 -12.6495 -12.6495 -12.4638 -12.4638 -12.2374 -12.2374 -12.0886 -12.0886 -12.0669 -12.0669 -11.9297 -11.9297 -4.9455 -4.9455 -4.5094 -4.5094 1.1021 1.1021 1.1074 1.1074 1.4165 1.4165 1.4327 1.4327 1.5137 1.5137 3.4596 3.4596 5.6816 5.6816 7.4628 7.4628 7.4951 7.4951 8.1417 8.1417 8.1764 8.1764 10.5015 10.5015 10.8255 10.8255 12.2078 12.2078 12.2596 12.2596 k = 0.5000 0.2002 0.0427 ( 2912 PWs) bands (ev): -31.2471 -31.2471 -31.1749 -31.1749 -12.6495 -12.6495 -12.4627 -12.4627 -12.2375 -12.2375 -12.0862 -12.0862 -12.0684 -12.0684 -11.9288 -11.9288 -4.9480 -4.9480 -4.5129 -4.5129 1.1018 1.1018 1.1072 1.1072 1.4161 1.4161 1.4328 1.4328 1.5139 1.5139 3.4563 3.4563 5.6819 5.6819 7.4764 7.4764 7.5081 7.5081 8.1579 8.1579 8.1853 8.1853 10.4818 10.4818 10.8300 10.8300 12.2201 12.2201 12.2524 12.2524 k = 0.5000 0.2002 0.0213 ( 2912 PWs) bands (ev): -31.2472 -31.2472 -31.1749 -31.1749 -12.6495 -12.6495 -12.4620 -12.4620 -12.2376 -12.2376 -12.0845 -12.0845 -12.0696 -12.0696 -11.9283 -11.9283 -4.9494 -4.9494 -4.5150 -4.5150 1.1016 1.1016 1.1071 1.1071 1.4159 1.4159 1.4328 1.4328 1.5141 1.5141 3.4542 3.4542 5.6821 5.6821 7.4846 7.4846 7.5162 7.5162 8.1664 8.1664 8.1918 8.1918 10.4700 10.4700 10.8327 10.8327 12.2249 12.2249 12.2507 12.2507 k = 0.5000 0.2002-0.0000 ( 2914 PWs) bands (ev): -31.2472 -31.2472 -31.1749 -31.1749 -12.6495 -12.6495 -12.4618 -12.4618 -12.2376 -12.2376 -12.0838 -12.0838 -12.0701 -12.0701 -11.9282 -11.9282 -4.9499 -4.9499 -4.5157 -4.5157 1.1016 1.1016 1.1070 1.1070 1.4158 1.4158 1.4329 1.4329 1.5141 1.5141 3.4536 3.4536 5.6821 5.6821 7.4873 7.4873 7.5189 7.5189 8.1690 8.1690 8.1943 8.1943 10.4660 10.4660 10.8336 10.8336 12.2257 12.2257 12.2510 12.2510 k = 0.0000 0.0000 1.3453 ( 2890 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6162 -12.6162 -12.6093 -12.6093 -12.2995 -12.2995 -12.2885 -12.2885 -12.1246 -12.1246 -12.1237 -12.1237 -4.7767 -4.7767 -4.1311 -4.1311 1.0884 1.0884 1.1057 1.1057 1.3705 1.3705 1.5191 1.5191 1.5725 1.5725 5.5154 5.5154 5.9481 5.9481 5.9887 5.9887 6.3422 6.3422 6.9454 6.9454 7.3295 7.3295 9.3601 9.3601 11.2261 11.2261 11.3169 11.3169 11.5238 11.5238 k = 0.0192 0.0077 1.3453 ( 2888 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6162 -12.6162 -12.6093 -12.6093 -12.2995 -12.2995 -12.2885 -12.2885 -12.1246 -12.1246 -12.1237 -12.1237 -4.7767 -4.7767 -4.1311 -4.1311 1.0885 1.0885 1.1057 1.1057 1.3705 1.3705 1.5191 1.5191 1.5725 1.5725 5.5155 5.5155 5.9482 5.9482 5.9885 5.9885 6.3419 6.3419 6.9466 6.9466 7.3277 7.3277 9.3642 9.3642 11.1487 11.1487 11.3957 11.3957 11.5256 11.5256 k = 0.0385 0.0154 1.3453 ( 2880 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6162 -12.6162 -12.6093 -12.6093 -12.2995 -12.2995 -12.2884 -12.2884 -12.1247 -12.1247 -12.1235 -12.1235 -4.7767 -4.7767 -4.1312 -4.1312 1.0886 1.0886 1.1057 1.1057 1.3706 1.3706 1.5192 1.5192 1.5724 1.5724 5.5159 5.5159 5.9486 5.9486 5.9880 5.9880 6.3411 6.3411 6.9500 6.9500 7.3223 7.3223 9.3765 9.3765 11.0404 11.0404 11.5083 11.5083 11.5310 11.5310 k = 0.0577 0.0231 1.3453 ( 2884 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6162 -12.6162 -12.6093 -12.6093 -12.2996 -12.2996 -12.2884 -12.2884 -12.1249 -12.1249 -12.1234 -12.1234 -4.7767 -4.7767 -4.1312 -4.1312 1.0887 1.0887 1.1056 1.1056 1.3707 1.3707 1.5192 1.5192 1.5723 1.5723 5.5165 5.5165 5.9492 5.9492 5.9872 5.9872 6.3397 6.3397 6.9557 6.9557 7.3136 7.3136 9.3966 9.3966 10.9311 10.9311 11.5388 11.5388 11.6256 11.6256 k = 0.0769 0.0308 1.3453 ( 2888 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6162 -12.6162 -12.6093 -12.6093 -12.2997 -12.2997 -12.2883 -12.2883 -12.1250 -12.1250 -12.1232 -12.1232 -4.7766 -4.7766 -4.1313 -4.1313 1.0889 1.0889 1.1055 1.1055 1.3707 1.3707 1.5193 1.5193 1.5721 1.5721 5.5174 5.5174 5.9500 5.9500 5.9861 5.9861 6.3378 6.3378 6.9636 6.9636 7.3017 7.3017 9.4246 9.4246 10.8231 10.8231 11.5498 11.5498 11.7443 11.7443 k = 0.0962 0.0385 1.3453 ( 2884 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6162 -12.6162 -12.6093 -12.6093 -12.2997 -12.2997 -12.2882 -12.2882 -12.1252 -12.1252 -12.1230 -12.1230 -4.7765 -4.7765 -4.1314 -4.1314 1.0892 1.0892 1.1053 1.1053 1.3709 1.3709 1.5193 1.5193 1.5719 1.5719 5.5184 5.5184 5.9511 5.9511 5.9847 5.9847 6.3357 6.3357 6.9737 6.9737 7.2869 7.2869 9.4599 9.4599 10.7168 10.7168 11.5630 11.5630 11.8643 11.8643 k = 0.1154 0.0462 1.3453 ( 2876 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6162 -12.6162 -12.6092 -12.6092 -12.2998 -12.2998 -12.2881 -12.2881 -12.1254 -12.1254 -12.1229 -12.1229 -4.7764 -4.7764 -4.1315 -4.1315 1.0896 1.0896 1.1052 1.1052 1.3710 1.3710 1.5195 1.5195 1.5717 1.5717 5.5195 5.5195 5.9524 5.9524 5.9830 5.9830 6.3333 6.3333 6.9858 6.9858 7.2698 7.2698 9.5022 9.5022 10.6127 10.6127 11.5778 11.5778 11.9852 11.9852 k = 0.1346 0.0539 1.3453 ( 2876 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6162 -12.6162 -12.6092 -12.6092 -12.2999 -12.2999 -12.2880 -12.2880 -12.1255 -12.1255 -12.1227 -12.1227 -4.7764 -4.7764 -4.1316 -4.1316 1.0899 1.0899 1.1050 1.1050 1.3712 1.3712 1.5196 1.5196 1.5715 1.5715 5.5206 5.5206 5.9539 5.9539 5.9812 5.9812 6.3308 6.3308 6.9998 6.9998 7.2506 7.2506 9.5510 9.5510 10.5108 10.5108 11.5933 11.5933 12.1070 12.1070 k = 0.1538 0.0616 1.3453 ( 2878 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6162 -12.6162 -12.6092 -12.6092 -12.3000 -12.3000 -12.2879 -12.2879 -12.1257 -12.1257 -12.1226 -12.1226 -4.7763 -4.7763 -4.1317 -4.1317 1.0902 1.0902 1.1049 1.1049 1.3713 1.3713 1.5196 1.5196 1.5712 1.5712 5.5217 5.5217 5.9555 5.9555 5.9792 5.9792 6.3284 6.3284 7.0157 7.0157 7.2299 7.2299 9.6061 9.6061 10.4114 10.4114 11.6087 11.6087 12.2294 12.2294 k = 0.1731 0.0693 1.3453 ( 2886 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6162 -12.6162 -12.6093 -12.6093 -12.3001 -12.3001 -12.2879 -12.2879 -12.1258 -12.1258 -12.1225 -12.1225 -4.7763 -4.7763 -4.1318 -4.1318 1.0904 1.0904 1.1047 1.1047 1.3714 1.3714 1.5196 1.5196 1.5710 1.5710 5.5227 5.5227 5.9573 5.9573 5.9771 5.9771 6.3262 6.3262 7.0332 7.0332 7.2079 7.2079 9.6668 9.6668 10.3147 10.3147 11.6230 11.6230 12.3522 12.3522 k = 0.1923 0.0770 1.3453 ( 2890 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6163 -12.6163 -12.6093 -12.6093 -12.3002 -12.3002 -12.2878 -12.2878 -12.1259 -12.1259 -12.1224 -12.1224 -4.7762 -4.7762 -4.1319 -4.1319 1.0906 1.0906 1.1045 1.1045 1.3715 1.3715 1.5197 1.5197 1.5708 1.5708 5.5236 5.5236 5.9592 5.9592 5.9749 5.9749 6.3244 6.3244 7.0522 7.0522 7.1852 7.1852 9.7328 9.7328 10.2209 10.2209 11.6354 11.6354 12.4754 12.4754 k = 0.2115 0.0847 1.3453 ( 2896 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6163 -12.6163 -12.6093 -12.6093 -12.3003 -12.3003 -12.2878 -12.2878 -12.1260 -12.1260 -12.1224 -12.1224 -4.7762 -4.7762 -4.1319 -4.1319 1.0908 1.0908 1.1044 1.1044 1.3715 1.3715 1.5196 1.5196 1.5707 1.5707 5.5242 5.5242 5.9611 5.9611 5.9729 5.9729 6.3230 6.3230 7.0725 7.0725 7.1621 7.1621 9.8037 9.8037 10.1303 10.1303 11.6449 11.6449 12.5986 12.5986 k = 0.2308 0.0924 1.3453 ( 2900 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6163 -12.6163 -12.6093 -12.6093 -12.3003 -12.3003 -12.2877 -12.2877 -12.1260 -12.1260 -12.1223 -12.1223 -4.7761 -4.7761 -4.1320 -4.1320 1.0909 1.0909 1.1043 1.1043 1.3716 1.3716 1.5197 1.5197 1.5705 1.5705 5.5246 5.5246 5.9626 5.9626 5.9711 5.9711 6.3221 6.3221 7.0939 7.0939 7.1390 7.1390 9.8789 9.8789 10.0433 10.0433 11.6509 11.6509 12.7217 12.7217 k = 0.2500 0.1001 1.3453 ( 2904 PWs) bands (ev): -31.1784 -31.1784 -31.1772 -31.1772 -12.6164 -12.6164 -12.6093 -12.6093 -12.3003 -12.3003 -12.2877 -12.2877 -12.1261 -12.1261 -12.1223 -12.1223 -4.7761 -4.7761 -4.1320 -4.1320 1.0909 1.0909 1.1043 1.1043 1.3716 1.3716 1.5197 1.5197 1.5705 1.5705 5.5247 5.5247 5.9633 5.9633 5.9704 5.9704 6.3218 6.3218 7.1154 7.1154 7.1170 7.1170 9.9503 9.9503 9.9680 9.9680 11.6529 11.6529 12.8332 12.8333 Writing output data file Ca2ZnN2.save init_run : 0.64s CPU 0.89s WALL ( 1 calls) electrons : 366.26s CPU 371.31s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.04s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 366.25s CPU 371.30s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 375 calls) cegterg : 343.17s CPU 346.76s WALL ( 1002 calls) Called by sum_band: Called by *egterg: h_psi : 234.24s CPU 237.13s WALL ( 17377 calls) s_psi : 6.79s CPU 6.64s WALL ( 17377 calls) g_psi : 0.20s CPU 0.26s WALL ( 16000 calls) cdiaghg : 100.26s CPU 101.56s WALL ( 16375 calls) cegterg:over : 7.17s CPU 7.27s WALL ( 16000 calls) cegterg:upda : 6.76s CPU 6.49s WALL ( 16000 calls) cegterg:last : 3.09s CPU 3.10s WALL ( 2127 calls) cdiaghg:chol : 5.48s CPU 5.55s WALL ( 16375 calls) cdiaghg:inve : 3.77s CPU 3.64s WALL ( 16375 calls) cdiaghg:para : 5.74s CPU 5.81s WALL ( 32750 calls) Called by h_psi: h_psi:vloc : 219.20s CPU 221.93s WALL ( 17377 calls) h_psi:vnl : 14.78s CPU 14.92s WALL ( 17377 calls) add_vuspsi : 7.41s CPU 7.69s WALL ( 17377 calls) General routines calbec : 7.34s CPU 7.18s WALL ( 17377 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 202.16s CPU 204.64s WALL ( 1248808 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.19s WALL ( 750 calls) Parallel routines fft_scatter : 57.54s CPU 58.95s WALL ( 1248831 calls) PWSCF : 6m22.76s CPU 6m58.30s WALL This run was terminated on: 16:49:16 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=