Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:30:25 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: ./BeAu2.save/ file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 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 139 51 15 3423 771 125 Max 140 52 16 3424 786 127 Sum 5023 1867 553 123243 28037 4541 bravais-lattice index = 14 lattice parameter (alat) = 10.0419 a.u. unit-cell volume = 284.0217 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.041863 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.847678 celldm(5)= -0.847678 celldm(6)= 0.695356 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.695356 0.718666 0.000000 ) a(3) = ( -0.847678 -0.359333 0.390285 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.967564 1.281116 ) b(2) = ( 0.000000 1.391467 1.281116 ) b(3) = ( 0.000000 0.000000 2.562232 ) PseudoPot. # 1 for Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Be 4.00 9.01220 Be( 1.00) Au 11.00 196.96660 Au( 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= 459 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 2) = ( 0.0000000 0.0000000 0.0168568), wk = 0.0021786 k( 3) = ( 0.0000000 0.0000000 0.0337136), wk = 0.0021786 k( 4) = ( 0.0000000 0.0000000 0.0505704), wk = 0.0021786 k( 5) = ( 0.0000000 0.0000000 0.0674271), wk = 0.0021786 k( 6) = ( 0.0000000 0.0000000 0.0842839), wk = 0.0021786 k( 7) = ( 0.0000000 0.0000000 0.1011407), wk = 0.0021786 k( 8) = ( 0.0000000 0.0000000 0.1179975), wk = 0.0021786 k( 9) = ( 0.0000000 0.0000000 0.1348543), wk = 0.0021786 k( 10) = ( 0.0000000 0.0000000 0.1517111), wk = 0.0021786 k( 11) = ( 0.0000000 0.0000000 0.1685679), wk = 0.0021786 k( 12) = ( 0.0000000 0.0000000 0.1854246), wk = 0.0021786 k( 13) = ( 0.0000000 0.0000000 0.2022814), wk = 0.0021786 k( 14) = ( 0.0000000 0.0000000 0.2191382), wk = 0.0021786 k( 15) = ( 0.0000000 0.0000000 0.2359950), wk = 0.0021786 k( 16) = ( 0.0000000 0.0000000 0.2528518), wk = 0.0021786 k( 17) = ( 0.0000000 0.0000000 0.2697086), wk = 0.0021786 k( 18) = ( 0.0000000 0.0000000 0.2865654), wk = 0.0021786 k( 19) = ( 0.0000000 0.0000000 0.3034221), wk = 0.0021786 k( 20) = ( 0.0000000 0.0000000 0.3202789), wk = 0.0021786 k( 21) = ( 0.0000000 0.0000000 0.3371357), wk = 0.0021786 k( 22) = ( 0.0000000 0.0000000 0.3539925), wk = 0.0021786 k( 23) = ( 0.0000000 0.0000000 0.3708493), wk = 0.0021786 k( 24) = ( 0.0000000 0.0000000 0.3877061), wk = 0.0021786 k( 25) = ( 0.0000000 0.0000000 0.4045629), wk = 0.0021786 k( 26) = ( 0.0000000 0.0000000 0.4214196), wk = 0.0021786 k( 27) = ( 0.0000000 0.0000000 0.4382764), wk = 0.0021786 k( 28) = ( 0.0000000 0.0000000 0.4551332), wk = 0.0021786 k( 29) = ( 0.0000000 0.0000000 0.4719900), wk = 0.0021786 k( 30) = ( 0.0000000 0.0000000 0.4888468), wk = 0.0021786 k( 31) = ( 0.0000000 0.0000000 0.5057036), wk = 0.0021786 k( 32) = ( 0.0000000 0.0000000 0.5225604), wk = 0.0021786 k( 33) = ( 0.0000000 0.0000000 0.5394172), wk = 0.0021786 k( 34) = ( 0.0000000 0.0000000 0.5562739), wk = 0.0021786 k( 35) = ( 0.0000000 0.0000000 0.5731307), wk = 0.0021786 k( 36) = ( 0.0000000 0.0000000 0.5899875), wk = 0.0021786 k( 37) = ( 0.0000000 0.0000000 0.6068443), wk = 0.0021786 k( 38) = ( 0.0000000 0.0000000 0.6237011), wk = 0.0021786 k( 39) = ( 0.0000000 0.0000000 0.6405579), wk = 0.0021786 k( 40) = ( 0.0000000 0.0000000 0.6574147), wk = 0.0021786 k( 41) = ( 0.0000000 0.0000000 0.6742714), wk = 0.0021786 k( 42) = ( 0.0000000 0.0000000 0.6911282), wk = 0.0021786 k( 43) = ( 0.0000000 0.0000000 0.7079850), wk = 0.0021786 k( 44) = ( 0.0000000 0.0000000 0.7248418), wk = 0.0021786 k( 45) = ( 0.0000000 0.0000000 0.7416986), wk = 0.0021786 k( 46) = ( 0.0000000 0.0000000 0.7585554), wk = 0.0021786 k( 47) = ( 0.0000000 0.0000000 0.7754122), wk = 0.0021786 k( 48) = ( 0.0000000 0.0000000 0.7922690), wk = 0.0021786 k( 49) = ( 0.0000000 0.0000000 0.8091257), wk = 0.0021786 k( 50) = ( 0.0000000 0.0000000 0.8259825), wk = 0.0021786 k( 51) = ( 0.0000000 0.0000000 0.8428393), wk = 0.0021786 k( 52) = ( 0.0000000 0.0000000 0.8596961), wk = 0.0021786 k( 53) = ( 0.0000000 0.0000000 0.8765529), wk = 0.0021786 k( 54) = ( 0.0000000 0.0000000 0.8934097), wk = 0.0021786 k( 55) = ( 0.0000000 0.0000000 0.9102665), wk = 0.0021786 k( 56) = ( 0.0000000 0.0000000 0.9271233), wk = 0.0021786 k( 57) = ( 0.0000000 0.0000000 0.9439800), wk = 0.0021786 k( 58) = ( 0.0000000 0.0000000 0.9608368), wk = 0.0021786 k( 59) = ( 0.0000000 0.0000000 0.9776936), wk = 0.0021786 k( 60) = ( 0.0000000 0.0000000 0.9945504), wk = 0.0021786 k( 61) = ( 0.0000000 0.0000000 1.0114072), wk = 0.0021786 k( 62) = ( 0.0000000 0.0000000 1.0282640), wk = 0.0021786 k( 63) = ( 0.0000000 0.0000000 1.0451208), wk = 0.0021786 k( 64) = ( 0.0000000 0.0000000 1.0619775), wk = 0.0021786 k( 65) = ( 0.0000000 0.0000000 1.0788343), wk = 0.0021786 k( 66) = ( 0.0000000 0.0000000 1.0956911), wk = 0.0021786 k( 67) = ( 0.0000000 0.0000000 1.1125479), wk = 0.0021786 k( 68) = ( 0.0000000 0.0000000 1.1294047), wk = 0.0021786 k( 69) = ( 0.0000000 0.0000000 1.1462615), wk = 0.0021786 k( 70) = ( 0.0000000 0.0000000 1.1631183), wk = 0.0021786 k( 71) = ( 0.0000000 0.0000000 1.1799751), wk = 0.0021786 k( 72) = ( 0.0000000 0.0000000 1.1968318), wk = 0.0021786 k( 73) = ( 0.0000000 0.0000000 1.2136886), wk = 0.0021786 k( 74) = ( 0.0000000 0.0000000 1.2305454), wk = 0.0021786 k( 75) = ( 0.0000000 0.0000000 1.2474022), wk = 0.0021786 k( 76) = ( 0.0000000 0.0000000 1.2642590), wk = 0.0021786 k( 77) = ( 0.0000000 0.0000000 1.2811158), wk = 0.0021786 k( 78) = ( 0.0000000 0.0000000 1.2811158), wk = 0.0021786 k( 79) = ( -0.0064176 0.0151394 1.2811158), wk = 0.0021786 k( 80) = ( -0.0128352 0.0302788 1.2811158), wk = 0.0021786 k( 81) = ( -0.0192529 0.0454182 1.2811158), wk = 0.0021786 k( 82) = ( -0.0256705 0.0605575 1.2811158), wk = 0.0021786 k( 83) = ( -0.0320881 0.0756969 1.2811158), wk = 0.0021786 k( 84) = ( -0.0385058 0.0908363 1.2811158), wk = 0.0021786 k( 85) = ( -0.0449234 0.1059757 1.2811158), wk = 0.0021786 k( 86) = ( -0.0449234 0.1059757 1.2811158), wk = 0.0021786 k( 87) = ( -0.0495670 0.1169302 1.2692177), wk = 0.0021786 k( 88) = ( -0.0542107 0.1278847 1.2573196), wk = 0.0021786 k( 89) = ( -0.0588543 0.1388392 1.2454215), wk = 0.0021786 k( 90) = ( -0.0634979 0.1497937 1.2335234), wk = 0.0021786 k( 91) = ( -0.0681416 0.1607481 1.2216254), wk = 0.0021786 k( 92) = ( -0.0727852 0.1717026 1.2097273), wk = 0.0021786 k( 93) = ( -0.0774289 0.1826571 1.1978292), wk = 0.0021786 k( 94) = ( -0.0820725 0.1936116 1.1859311), wk = 0.0021786 k( 95) = ( -0.0867161 0.2045661 1.1740331), wk = 0.0021786 k( 96) = ( -0.0913598 0.2155206 1.1621350), wk = 0.0021786 k( 97) = ( -0.0960034 0.2264751 1.1502369), wk = 0.0021786 k( 98) = ( -0.1006471 0.2374296 1.1383388), wk = 0.0021786 k( 99) = ( -0.1052907 0.2483841 1.1264407), wk = 0.0021786 k( 100) = ( -0.1099343 0.2593386 1.1145427), wk = 0.0021786 k( 101) = ( -0.1145780 0.2702931 1.1026446), wk = 0.0021786 k( 102) = ( -0.1192216 0.2812476 1.0907465), wk = 0.0021786 k( 103) = ( -0.1238652 0.2922020 1.0788484), wk = 0.0021786 k( 104) = ( -0.1285089 0.3031565 1.0669504), wk = 0.0021786 k( 105) = ( -0.1331525 0.3141110 1.0550523), wk = 0.0021786 k( 106) = ( -0.1377962 0.3250655 1.0431542), wk = 0.0021786 k( 107) = ( -0.1424398 0.3360200 1.0312561), wk = 0.0021786 k( 108) = ( -0.1470834 0.3469745 1.0193580), wk = 0.0021786 k( 109) = ( -0.1517271 0.3579290 1.0074600), wk = 0.0021786 k( 110) = ( -0.1563707 0.3688835 0.9955619), wk = 0.0021786 k( 111) = ( -0.1610144 0.3798380 0.9836638), wk = 0.0021786 k( 112) = ( -0.1656580 0.3907925 0.9717657), wk = 0.0021786 k( 113) = ( -0.1703016 0.4017470 0.9598677), wk = 0.0021786 k( 114) = ( -0.1749453 0.4127014 0.9479696), wk = 0.0021786 k( 115) = ( -0.1795889 0.4236559 0.9360715), wk = 0.0021786 k( 116) = ( -0.1842325 0.4346104 0.9241734), wk = 0.0021786 k( 117) = ( -0.1888762 0.4455649 0.9122753), wk = 0.0021786 k( 118) = ( -0.1935198 0.4565194 0.9003773), wk = 0.0021786 k( 119) = ( -0.1981635 0.4674739 0.8884792), wk = 0.0021786 k( 120) = ( -0.2028071 0.4784284 0.8765811), wk = 0.0021786 k( 121) = ( -0.2074507 0.4893829 0.8646830), wk = 0.0021786 k( 122) = ( -0.2120944 0.5003374 0.8527850), wk = 0.0021786 k( 123) = ( -0.2167380 0.5112919 0.8408869), wk = 0.0021786 k( 124) = ( -0.2213817 0.5222463 0.8289888), wk = 0.0021786 k( 125) = ( -0.2260253 0.5332008 0.8170907), wk = 0.0021786 k( 126) = ( -0.2306689 0.5441553 0.8051926), wk = 0.0021786 k( 127) = ( -0.2353126 0.5551098 0.7932946), wk = 0.0021786 k( 128) = ( -0.2399562 0.5660643 0.7813965), wk = 0.0021786 k( 129) = ( -0.2445999 0.5770188 0.7694984), wk = 0.0021786 k( 130) = ( -0.2492435 0.5879733 0.7576003), wk = 0.0021786 k( 131) = ( -0.2538871 0.5989278 0.7457023), wk = 0.0021786 k( 132) = ( -0.2585308 0.6098823 0.7338042), wk = 0.0021786 k( 133) = ( -0.2631744 0.6208368 0.7219061), wk = 0.0021786 k( 134) = ( -0.2678180 0.6317913 0.7100080), wk = 0.0021786 k( 135) = ( -0.2724617 0.6427458 0.6981099), wk = 0.0021786 k( 136) = ( -0.2724617 0.6427458 0.6981099), wk = 0.0021786 k( 137) = ( -0.2678437 0.6318518 0.6862776), wk = 0.0021786 k( 138) = ( -0.2632257 0.6209578 0.6744452), wk = 0.0021786 k( 139) = ( -0.2586077 0.6100638 0.6626128), wk = 0.0021786 k( 140) = ( -0.2539897 0.5991698 0.6507804), wk = 0.0021786 k( 141) = ( -0.2493717 0.5882758 0.6389481), wk = 0.0021786 k( 142) = ( -0.2447537 0.5773818 0.6271157), wk = 0.0021786 k( 143) = ( -0.2401357 0.5664878 0.6152833), wk = 0.0021786 k( 144) = ( -0.2355177 0.5555938 0.6034510), wk = 0.0021786 k( 145) = ( -0.2308997 0.5446998 0.5916186), wk = 0.0021786 k( 146) = ( -0.2262817 0.5338058 0.5797862), wk = 0.0021786 k( 147) = ( -0.2216637 0.5229118 0.5679538), wk = 0.0021786 k( 148) = ( -0.2170458 0.5120178 0.5561215), wk = 0.0021786 k( 149) = ( -0.2124278 0.5011238 0.5442891), wk = 0.0021786 k( 150) = ( -0.2078098 0.4902298 0.5324567), wk = 0.0021786 k( 151) = ( -0.2031918 0.4793358 0.5206244), wk = 0.0021786 k( 152) = ( -0.1985738 0.4684418 0.5087920), wk = 0.0021786 k( 153) = ( -0.1939558 0.4575478 0.4969596), wk = 0.0021786 k( 154) = ( -0.1893378 0.4466538 0.4851273), wk = 0.0021786 k( 155) = ( -0.1847198 0.4357598 0.4732949), wk = 0.0021786 k( 156) = ( -0.1801018 0.4248658 0.4614625), wk = 0.0021786 k( 157) = ( -0.1754838 0.4139718 0.4496301), wk = 0.0021786 k( 158) = ( -0.1708658 0.4030779 0.4377978), wk = 0.0021786 k( 159) = ( -0.1662478 0.3921838 0.4259654), wk = 0.0021786 k( 160) = ( -0.1616298 0.3812899 0.4141330), wk = 0.0021786 k( 161) = ( -0.1570118 0.3703959 0.4023006), wk = 0.0021786 k( 162) = ( -0.1523938 0.3595019 0.3904683), wk = 0.0021786 k( 163) = ( -0.1477758 0.3486079 0.3786359), wk = 0.0021786 k( 164) = ( -0.1431578 0.3377139 0.3668035), wk = 0.0021786 k( 165) = ( -0.1385398 0.3268199 0.3549711), wk = 0.0021786 k( 166) = ( -0.1339219 0.3159259 0.3431388), wk = 0.0021786 k( 167) = ( -0.1293038 0.3050319 0.3313064), wk = 0.0021786 k( 168) = ( -0.1246859 0.2941379 0.3194740), wk = 0.0021786 k( 169) = ( -0.1200679 0.2832439 0.3076417), wk = 0.0021786 k( 170) = ( -0.1154499 0.2723499 0.2958093), wk = 0.0021786 k( 171) = ( -0.1108319 0.2614559 0.2839769), wk = 0.0021786 k( 172) = ( -0.1062139 0.2505619 0.2721446), wk = 0.0021786 k( 173) = ( -0.1015959 0.2396679 0.2603122), wk = 0.0021786 k( 174) = ( -0.0969779 0.2287739 0.2484798), wk = 0.0021786 k( 175) = ( -0.0923599 0.2178799 0.2366474), wk = 0.0021786 k( 176) = ( -0.0877419 0.2069859 0.2248151), wk = 0.0021786 k( 177) = ( -0.0831239 0.1960919 0.2129827), wk = 0.0021786 k( 178) = ( -0.0785059 0.1851979 0.2011503), wk = 0.0021786 k( 179) = ( -0.0738879 0.1743039 0.1893180), wk = 0.0021786 k( 180) = ( -0.0692699 0.1634099 0.1774856), wk = 0.0021786 k( 181) = ( -0.0646519 0.1525159 0.1656532), wk = 0.0021786 k( 182) = ( -0.0600339 0.1416219 0.1538208), wk = 0.0021786 k( 183) = ( -0.0554159 0.1307280 0.1419885), wk = 0.0021786 k( 184) = ( -0.0507979 0.1198339 0.1301561), wk = 0.0021786 k( 185) = ( -0.0461799 0.1089400 0.1183237), wk = 0.0021786 k( 186) = ( -0.0415620 0.0980460 0.1064913), wk = 0.0021786 k( 187) = ( -0.0369440 0.0871520 0.0946590), wk = 0.0021786 k( 188) = ( -0.0323260 0.0762580 0.0828266), wk = 0.0021786 k( 189) = ( -0.0277080 0.0653640 0.0709942), wk = 0.0021786 k( 190) = ( -0.0230900 0.0544700 0.0591618), wk = 0.0021786 k( 191) = ( -0.0184720 0.0435760 0.0473295), wk = 0.0021786 k( 192) = ( -0.0138540 0.0326820 0.0354971), wk = 0.0021786 k( 193) = ( -0.0092360 0.0217880 0.0236647), wk = 0.0021786 k( 194) = ( -0.0046180 0.0108940 0.0118324), wk = 0.0021786 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 196) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 197) = ( 0.0151515 0.0064228 0.0000000), wk = 0.0021786 k( 198) = ( 0.0303030 0.0128455 0.0000000), wk = 0.0021786 k( 199) = ( 0.0454546 0.0192683 0.0000000), wk = 0.0021786 k( 200) = ( 0.0606061 0.0256911 0.0000000), wk = 0.0021786 k( 201) = ( 0.0757576 0.0321138 0.0000000), wk = 0.0021786 k( 202) = ( 0.0909091 0.0385366 0.0000000), wk = 0.0021786 k( 203) = ( 0.1060606 0.0449594 0.0000000), wk = 0.0021786 k( 204) = ( 0.1212121 0.0513822 0.0000000), wk = 0.0021786 k( 205) = ( 0.1363636 0.0578049 0.0000000), wk = 0.0021786 k( 206) = ( 0.1515151 0.0642277 0.0000000), wk = 0.0021786 k( 207) = ( 0.1666667 0.0706505 0.0000000), wk = 0.0021786 k( 208) = ( 0.1818182 0.0770732 0.0000000), wk = 0.0021786 k( 209) = ( 0.1969697 0.0834960 0.0000000), wk = 0.0021786 k( 210) = ( 0.2121212 0.0899188 0.0000000), wk = 0.0021786 k( 211) = ( 0.2272727 0.0963415 0.0000000), wk = 0.0021786 k( 212) = ( 0.2424242 0.1027643 0.0000000), wk = 0.0021786 k( 213) = ( 0.2575758 0.1091871 0.0000000), wk = 0.0021786 k( 214) = ( 0.2727273 0.1156098 0.0000000), wk = 0.0021786 k( 215) = ( 0.2878788 0.1220326 0.0000000), wk = 0.0021786 k( 216) = ( 0.3030303 0.1284554 0.0000000), wk = 0.0021786 k( 217) = ( 0.3181818 0.1348781 0.0000000), wk = 0.0021786 k( 218) = ( 0.3333333 0.1413009 0.0000000), wk = 0.0021786 k( 219) = ( 0.3484849 0.1477237 0.0000000), wk = 0.0021786 k( 220) = ( 0.3636364 0.1541465 0.0000000), wk = 0.0021786 k( 221) = ( 0.3787879 0.1605692 0.0000000), wk = 0.0021786 k( 222) = ( 0.3939394 0.1669920 -0.0000000), wk = 0.0021786 k( 223) = ( 0.4090909 0.1734148 -0.0000000), wk = 0.0021786 k( 224) = ( 0.4242424 0.1798375 0.0000000), wk = 0.0021786 k( 225) = ( 0.4393939 0.1862603 0.0000000), wk = 0.0021786 k( 226) = ( 0.4545455 0.1926831 0.0000000), wk = 0.0021786 k( 227) = ( 0.4696970 0.1991058 0.0000000), wk = 0.0021786 k( 228) = ( 0.4848485 0.2055286 0.0000000), wk = 0.0021786 k( 229) = ( 0.5000000 0.2119514 0.0000000), wk = 0.0021786 k( 230) = ( 0.5000000 0.2119514 0.0000000), wk = 0.0021786 k( 231) = ( 0.4953564 0.2229059 0.0118981), wk = 0.0021786 k( 232) = ( 0.4907127 0.2338604 0.0237962), wk = 0.0021786 k( 233) = ( 0.4860691 0.2448149 0.0356942), wk = 0.0021786 k( 234) = ( 0.4814254 0.2557693 0.0475923), wk = 0.0021786 k( 235) = ( 0.4767818 0.2667238 0.0594904), wk = 0.0021786 k( 236) = ( 0.4721382 0.2776783 0.0713885), wk = 0.0021786 k( 237) = ( 0.4674945 0.2886328 0.0832865), wk = 0.0021786 k( 238) = ( 0.4628509 0.2995873 0.0951846), wk = 0.0021786 k( 239) = ( 0.4582073 0.3105418 0.1070827), wk = 0.0021786 k( 240) = ( 0.4535636 0.3214963 0.1189808), wk = 0.0021786 k( 241) = ( 0.4489200 0.3324508 0.1308789), wk = 0.0021786 k( 242) = ( 0.4442763 0.3434053 0.1427769), wk = 0.0021786 k( 243) = ( 0.4396327 0.3543598 0.1546750), wk = 0.0021786 k( 244) = ( 0.4349890 0.3653143 0.1665731), wk = 0.0021786 k( 245) = ( 0.4303454 0.3762687 0.1784712), wk = 0.0021786 k( 246) = ( 0.4257018 0.3872232 0.1903692), wk = 0.0021786 k( 247) = ( 0.4210581 0.3981777 0.2022673), wk = 0.0021786 k( 248) = ( 0.4164145 0.4091322 0.2141654), wk = 0.0021786 k( 249) = ( 0.4117709 0.4200867 0.2260635), wk = 0.0021786 k( 250) = ( 0.4071272 0.4310412 0.2379616), wk = 0.0021786 k( 251) = ( 0.4024836 0.4419957 0.2498596), wk = 0.0021786 k( 252) = ( 0.3978399 0.4529502 0.2617577), wk = 0.0021786 k( 253) = ( 0.3931963 0.4639047 0.2736558), wk = 0.0021786 k( 254) = ( 0.3885527 0.4748592 0.2855539), wk = 0.0021786 k( 255) = ( 0.3839090 0.4858136 0.2974519), wk = 0.0021786 k( 256) = ( 0.3792654 0.4967681 0.3093500), wk = 0.0021786 k( 257) = ( 0.3746217 0.5077226 0.3212481), wk = 0.0021786 k( 258) = ( 0.3699781 0.5186771 0.3331462), wk = 0.0021786 k( 259) = ( 0.3653345 0.5296316 0.3450443), wk = 0.0021786 k( 260) = ( 0.3606908 0.5405861 0.3569423), wk = 0.0021786 k( 261) = ( 0.3560472 0.5515406 0.3688404), wk = 0.0021786 k( 262) = ( 0.3514036 0.5624951 0.3807385), wk = 0.0021786 k( 263) = ( 0.3467599 0.5734496 0.3926366), wk = 0.0021786 k( 264) = ( 0.3421163 0.5844041 0.4045346), wk = 0.0021786 k( 265) = ( 0.3374726 0.5953586 0.4164327), wk = 0.0021786 k( 266) = ( 0.3328290 0.6063131 0.4283308), wk = 0.0021786 k( 267) = ( 0.3281854 0.6172675 0.4402289), wk = 0.0021786 k( 268) = ( 0.3235417 0.6282220 0.4521270), wk = 0.0021786 k( 269) = ( 0.3188981 0.6391765 0.4640250), wk = 0.0021786 k( 270) = ( 0.3142544 0.6501310 0.4759231), wk = 0.0021786 k( 271) = ( 0.3096108 0.6610855 0.4878212), wk = 0.0021786 k( 272) = ( 0.3049672 0.6720400 0.4997193), wk = 0.0021786 k( 273) = ( 0.3003235 0.6829945 0.5116173), wk = 0.0021786 k( 274) = ( 0.2956799 0.6939490 0.5235154), wk = 0.0021786 k( 275) = ( 0.2910362 0.7049035 0.5354135), wk = 0.0021786 k( 276) = ( 0.2863926 0.7158580 0.5473116), wk = 0.0021786 k( 277) = ( 0.2817490 0.7268125 0.5592097), wk = 0.0021786 k( 278) = ( 0.2771053 0.7377670 0.5711077), wk = 0.0021786 k( 279) = ( 0.2724617 0.7487215 0.5830058), wk = 0.0021786 k( 280) = ( 0.2724617 0.7487215 0.5830058), wk = 0.0021786 k( 281) = ( 0.2564345 0.7456045 0.5863912), wk = 0.0021786 k( 282) = ( 0.2404074 0.7424876 0.5897766), wk = 0.0021786 k( 283) = ( 0.2243802 0.7393706 0.5931621), wk = 0.0021786 k( 284) = ( 0.2083531 0.7362537 0.5965475), wk = 0.0021786 k( 285) = ( 0.1923259 0.7331368 0.5999329), wk = 0.0021786 k( 286) = ( 0.1762987 0.7300199 0.6033183), wk = 0.0021786 k( 287) = ( 0.1602716 0.7269029 0.6067037), wk = 0.0021786 k( 288) = ( 0.1442444 0.7237860 0.6100891), wk = 0.0021786 k( 289) = ( 0.1282173 0.7206691 0.6134746), wk = 0.0021786 k( 290) = ( 0.1121901 0.7175521 0.6168600), wk = 0.0021786 k( 291) = ( 0.0961629 0.7144352 0.6202454), wk = 0.0021786 k( 292) = ( 0.0801358 0.7113183 0.6236308), wk = 0.0021786 k( 293) = ( 0.0641086 0.7082013 0.6270162), wk = 0.0021786 k( 294) = ( 0.0480815 0.7050844 0.6304016), wk = 0.0021786 k( 295) = ( 0.0320543 0.7019675 0.6337870), wk = 0.0021786 k( 296) = ( 0.0160272 0.6988505 0.6371725), wk = 0.0021786 k( 297) = ( 0.0000000 0.6957336 0.6405579), wk = 0.0021786 k( 298) = ( 0.0000000 0.6957336 0.6405579), wk = 0.0021786 k( 299) = ( 0.0046296 0.6848122 0.6524201), wk = 0.0021786 k( 300) = ( 0.0092593 0.6738907 0.6642822), wk = 0.0021786 k( 301) = ( 0.0138889 0.6629693 0.6761444), wk = 0.0021786 k( 302) = ( 0.0185185 0.6520478 0.6880066), wk = 0.0021786 k( 303) = ( 0.0231481 0.6411264 0.6998688), wk = 0.0021786 k( 304) = ( 0.0277778 0.6302049 0.7117310), wk = 0.0021786 k( 305) = ( 0.0324074 0.6192835 0.7235932), wk = 0.0021786 k( 306) = ( 0.0370370 0.6083621 0.7354554), wk = 0.0021786 k( 307) = ( 0.0416667 0.5974406 0.7473175), wk = 0.0021786 k( 308) = ( 0.0462963 0.5865192 0.7591797), wk = 0.0021786 k( 309) = ( 0.0509259 0.5755977 0.7710419), wk = 0.0021786 k( 310) = ( 0.0555556 0.5646763 0.7829041), wk = 0.0021786 k( 311) = ( 0.0601852 0.5537548 0.7947663), wk = 0.0021786 k( 312) = ( 0.0648148 0.5428334 0.8066284), wk = 0.0021786 k( 313) = ( 0.0694444 0.5319120 0.8184906), wk = 0.0021786 k( 314) = ( 0.0740741 0.5209905 0.8303528), wk = 0.0021786 k( 315) = ( 0.0787037 0.5100691 0.8422150), wk = 0.0021786 k( 316) = ( 0.0833333 0.4991476 0.8540772), wk = 0.0021786 k( 317) = ( 0.0879630 0.4882262 0.8659393), wk = 0.0021786 k( 318) = ( 0.0925926 0.4773048 0.8778015), wk = 0.0021786 k( 319) = ( 0.0972222 0.4663833 0.8896637), wk = 0.0021786 k( 320) = ( 0.1018518 0.4554619 0.9015259), wk = 0.0021786 k( 321) = ( 0.1064815 0.4445404 0.9133881), wk = 0.0021786 k( 322) = ( 0.1111111 0.4336190 0.9252503), wk = 0.0021786 k( 323) = ( 0.1157407 0.4226975 0.9371125), wk = 0.0021786 k( 324) = ( 0.1203704 0.4117761 0.9489746), wk = 0.0021786 k( 325) = ( 0.1250000 0.4008546 0.9608368), wk = 0.0021786 k( 326) = ( 0.1296296 0.3899332 0.9726990), wk = 0.0021786 k( 327) = ( 0.1342593 0.3790118 0.9845612), wk = 0.0021786 k( 328) = ( 0.1388889 0.3680903 0.9964234), wk = 0.0021786 k( 329) = ( 0.1435185 0.3571689 1.0082856), wk = 0.0021786 k( 330) = ( 0.1481482 0.3462474 1.0201477), wk = 0.0021786 k( 331) = ( 0.1527778 0.3353260 1.0320099), wk = 0.0021786 k( 332) = ( 0.1574074 0.3244045 1.0438721), wk = 0.0021786 k( 333) = ( 0.1620370 0.3134831 1.0557343), wk = 0.0021786 k( 334) = ( 0.1666667 0.3025617 1.0675965), wk = 0.0021786 k( 335) = ( 0.1712963 0.2916402 1.0794587), wk = 0.0021786 k( 336) = ( 0.1759259 0.2807188 1.0913208), wk = 0.0021786 k( 337) = ( 0.1805556 0.2697973 1.1031830), wk = 0.0021786 k( 338) = ( 0.1851852 0.2588759 1.1150452), wk = 0.0021786 k( 339) = ( 0.1898148 0.2479545 1.1269074), wk = 0.0021786 k( 340) = ( 0.1944444 0.2370330 1.1387696), wk = 0.0021786 k( 341) = ( 0.1990741 0.2261116 1.1506317), wk = 0.0021786 k( 342) = ( 0.2037037 0.2151901 1.1624939), wk = 0.0021786 k( 343) = ( 0.2083333 0.2042687 1.1743561), wk = 0.0021786 k( 344) = ( 0.2129630 0.1933472 1.1862183), wk = 0.0021786 k( 345) = ( 0.2175926 0.1824258 1.1980805), wk = 0.0021786 k( 346) = ( 0.2222222 0.1715043 1.2099427), wk = 0.0021786 k( 347) = ( 0.2268518 0.1605829 1.2218048), wk = 0.0021786 k( 348) = ( 0.2314815 0.1496615 1.2336670), wk = 0.0021786 k( 349) = ( 0.2361111 0.1387400 1.2455292), wk = 0.0021786 k( 350) = ( 0.2407407 0.1278186 1.2573914), wk = 0.0021786 k( 351) = ( 0.2453704 0.1168971 1.2692536), wk = 0.0021786 k( 352) = ( 0.2500000 0.1059757 1.2811158), wk = 0.0021786 k( 353) = ( 0.2500000 0.1059757 1.2811158), wk = 0.0021786 k( 354) = ( 0.2638889 0.1118632 1.2747211), wk = 0.0021786 k( 355) = ( 0.2777778 0.1177508 1.2683264), wk = 0.0021786 k( 356) = ( 0.2916667 0.1236383 1.2619317), wk = 0.0021786 k( 357) = ( 0.3055556 0.1295258 1.2555371), wk = 0.0021786 k( 358) = ( 0.3194444 0.1354134 1.2491424), wk = 0.0021786 k( 359) = ( 0.3333333 0.1413009 1.2427477), wk = 0.0021786 k( 360) = ( 0.3472222 0.1471885 1.2363530), wk = 0.0021786 k( 361) = ( 0.3611111 0.1530760 1.2299584), wk = 0.0021786 k( 362) = ( 0.3750000 0.1589635 1.2235637), wk = 0.0021786 k( 363) = ( 0.3888889 0.1648511 1.2171690), wk = 0.0021786 k( 364) = ( 0.4027778 0.1707386 1.2107744), wk = 0.0021786 k( 365) = ( 0.4166667 0.1766261 1.2043797), wk = 0.0021786 k( 366) = ( 0.4305556 0.1825137 1.1979850), wk = 0.0021786 k( 367) = ( 0.4444444 0.1884012 1.1915903), wk = 0.0021786 k( 368) = ( 0.4583333 0.1942888 1.1851957), wk = 0.0021786 k( 369) = ( 0.4722222 0.2001763 1.1788010), wk = 0.0021786 k( 370) = ( 0.4861111 0.2060638 1.1724063), wk = 0.0021786 k( 371) = ( 0.5000000 0.2119514 1.1660117), wk = 0.0021786 k( 372) = ( 0.5000000 0.2119514 1.1660117), wk = 0.0021786 k( 373) = ( 0.5000000 0.2119514 1.1491129), wk = 0.0021786 k( 374) = ( 0.5000000 0.2119514 1.1322142), wk = 0.0021786 k( 375) = ( 0.5000000 0.2119514 1.1153155), wk = 0.0021786 k( 376) = ( 0.5000000 0.2119514 1.0984168), wk = 0.0021786 k( 377) = ( 0.5000000 0.2119514 1.0815181), wk = 0.0021786 k( 378) = ( 0.5000000 0.2119514 1.0646193), wk = 0.0021786 k( 379) = ( 0.5000000 0.2119514 1.0477206), wk = 0.0021786 k( 380) = ( 0.5000000 0.2119514 1.0308219), wk = 0.0021786 k( 381) = ( 0.5000000 0.2119514 1.0139232), wk = 0.0021786 k( 382) = ( 0.5000000 0.2119514 0.9970244), wk = 0.0021786 k( 383) = ( 0.5000000 0.2119514 0.9801257), wk = 0.0021786 k( 384) = ( 0.5000000 0.2119514 0.9632270), wk = 0.0021786 k( 385) = ( 0.5000000 0.2119514 0.9463283), wk = 0.0021786 k( 386) = ( 0.5000000 0.2119514 0.9294296), wk = 0.0021786 k( 387) = ( 0.5000000 0.2119514 0.9125309), wk = 0.0021786 k( 388) = ( 0.5000000 0.2119514 0.8956321), wk = 0.0021786 k( 389) = ( 0.5000000 0.2119514 0.8787334), wk = 0.0021786 k( 390) = ( 0.5000000 0.2119514 0.8618347), wk = 0.0021786 k( 391) = ( 0.5000000 0.2119514 0.8449360), wk = 0.0021786 k( 392) = ( 0.5000000 0.2119514 0.8280373), wk = 0.0021786 k( 393) = ( 0.5000000 0.2119514 0.8111385), wk = 0.0021786 k( 394) = ( 0.5000000 0.2119514 0.7942398), wk = 0.0021786 k( 395) = ( 0.5000000 0.2119514 0.7773411), wk = 0.0021786 k( 396) = ( 0.5000000 0.2119514 0.7604424), wk = 0.0021786 k( 397) = ( 0.5000000 0.2119514 0.7435437), wk = 0.0021786 k( 398) = ( 0.5000000 0.2119514 0.7266449), wk = 0.0021786 k( 399) = ( 0.5000000 0.2119514 0.7097462), wk = 0.0021786 k( 400) = ( 0.5000000 0.2119514 0.6928475), wk = 0.0021786 k( 401) = ( 0.5000000 0.2119514 0.6759488), wk = 0.0021786 k( 402) = ( 0.5000000 0.2119514 0.6590501), wk = 0.0021786 k( 403) = ( 0.5000000 0.2119514 0.6421513), wk = 0.0021786 k( 404) = ( 0.5000000 0.2119514 0.6252526), wk = 0.0021786 k( 405) = ( 0.5000000 0.2119514 0.6083539), wk = 0.0021786 k( 406) = ( 0.5000000 0.2119514 0.5914552), wk = 0.0021786 k( 407) = ( 0.5000000 0.2119514 0.5745565), wk = 0.0021786 k( 408) = ( 0.5000000 0.2119514 0.5576578), wk = 0.0021786 k( 409) = ( 0.5000000 0.2119514 0.5407590), wk = 0.0021786 k( 410) = ( 0.5000000 0.2119514 0.5238603), wk = 0.0021786 k( 411) = ( 0.5000000 0.2119514 0.5069616), wk = 0.0021786 k( 412) = ( 0.5000000 0.2119514 0.4900629), wk = 0.0021786 k( 413) = ( 0.5000000 0.2119514 0.4731641), wk = 0.0021786 k( 414) = ( 0.5000000 0.2119514 0.4562654), wk = 0.0021786 k( 415) = ( 0.5000000 0.2119514 0.4393667), wk = 0.0021786 k( 416) = ( 0.5000000 0.2119514 0.4224680), wk = 0.0021786 k( 417) = ( 0.5000000 0.2119514 0.4055693), wk = 0.0021786 k( 418) = ( 0.5000000 0.2119514 0.3886706), wk = 0.0021786 k( 419) = ( 0.5000000 0.2119514 0.3717718), wk = 0.0021786 k( 420) = ( 0.5000000 0.2119514 0.3548731), wk = 0.0021786 k( 421) = ( 0.5000000 0.2119514 0.3379744), wk = 0.0021786 k( 422) = ( 0.5000000 0.2119514 0.3210757), wk = 0.0021786 k( 423) = ( 0.5000000 0.2119514 0.3041770), wk = 0.0021786 k( 424) = ( 0.5000000 0.2119514 0.2872782), wk = 0.0021786 k( 425) = ( 0.5000000 0.2119514 0.2703795), wk = 0.0021786 k( 426) = ( 0.5000000 0.2119514 0.2534808), wk = 0.0021786 k( 427) = ( 0.5000000 0.2119514 0.2365821), wk = 0.0021786 k( 428) = ( 0.5000000 0.2119514 0.2196833), wk = 0.0021786 k( 429) = ( 0.5000000 0.2119514 0.2027846), wk = 0.0021786 k( 430) = ( 0.5000000 0.2119514 0.1858859), wk = 0.0021786 k( 431) = ( 0.5000000 0.2119514 0.1689872), wk = 0.0021786 k( 432) = ( 0.5000000 0.2119514 0.1520885), wk = 0.0021786 k( 433) = ( 0.5000000 0.2119514 0.1351898), wk = 0.0021786 k( 434) = ( 0.5000000 0.2119514 0.1182910), wk = 0.0021786 k( 435) = ( 0.5000000 0.2119514 0.1013923), wk = 0.0021786 k( 436) = ( 0.5000000 0.2119514 0.0844936), wk = 0.0021786 k( 437) = ( 0.5000000 0.2119514 0.0675949), wk = 0.0021786 k( 438) = ( 0.5000000 0.2119514 0.0506962), wk = 0.0021786 k( 439) = ( 0.5000000 0.2119514 0.0337974), wk = 0.0021786 k( 440) = ( 0.5000000 0.2119514 0.0168987), wk = 0.0021786 k( 441) = ( 0.5000000 0.2119514 0.0000000), wk = 0.0021786 k( 442) = ( 0.0000000 0.0000000 1.2811158), wk = 0.0021786 k( 443) = ( 0.0147059 0.0062339 1.2811158), wk = 0.0021786 k( 444) = ( 0.0294118 0.0124677 1.2811158), wk = 0.0021786 k( 445) = ( 0.0441177 0.0187016 1.2811158), wk = 0.0021786 k( 446) = ( 0.0588235 0.0249355 1.2811158), wk = 0.0021786 k( 447) = ( 0.0735294 0.0311693 1.2811158), wk = 0.0021786 k( 448) = ( 0.0882353 0.0374032 1.2811158), wk = 0.0021786 k( 449) = ( 0.1029412 0.0436370 1.2811158), wk = 0.0021786 k( 450) = ( 0.1176471 0.0498709 1.2811158), wk = 0.0021786 k( 451) = ( 0.1323529 0.0561048 1.2811158), wk = 0.0021786 k( 452) = ( 0.1470588 0.0623386 1.2811158), wk = 0.0021786 k( 453) = ( 0.1617647 0.0685725 1.2811158), wk = 0.0021786 k( 454) = ( 0.1764706 0.0748064 1.2811158), wk = 0.0021786 k( 455) = ( 0.1911765 0.0810402 1.2811158), wk = 0.0021786 k( 456) = ( 0.2058823 0.0872741 1.2811158), wk = 0.0021786 k( 457) = ( 0.2205882 0.0935080 1.2811158), wk = 0.0021786 k( 458) = ( 0.2352941 0.0997418 1.2811158), wk = 0.0021786 k( 459) = ( 0.2500000 0.1059757 1.2811158), wk = 0.0021786 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 2) = ( 0.0000000 0.0000000 0.0065790), wk = 0.0021786 k( 3) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0021786 k( 4) = ( 0.0000000 0.0000000 0.0197368), wk = 0.0021786 k( 5) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0021786 k( 6) = ( 0.0000000 0.0000000 0.0328947), wk = 0.0021786 k( 7) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0021786 k( 8) = ( 0.0000000 0.0000000 0.0460526), wk = 0.0021786 k( 9) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0021786 k( 10) = ( 0.0000000 0.0000000 0.0592105), wk = 0.0021786 k( 11) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0021786 k( 12) = ( 0.0000000 0.0000000 0.0723684), wk = 0.0021786 k( 13) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0021786 k( 14) = ( 0.0000000 0.0000000 0.0855263), wk = 0.0021786 k( 15) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0021786 k( 16) = ( 0.0000000 0.0000000 0.0986842), wk = 0.0021786 k( 17) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0021786 k( 18) = ( 0.0000000 0.0000000 0.1118421), wk = 0.0021786 k( 19) = ( 0.0000000 0.0000000 0.1184210), wk = 0.0021786 k( 20) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0021786 k( 21) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0021786 k( 22) = ( 0.0000000 0.0000000 0.1381579), wk = 0.0021786 k( 23) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0021786 k( 24) = ( 0.0000000 0.0000000 0.1513158), wk = 0.0021786 k( 25) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0021786 k( 26) = ( 0.0000000 0.0000000 0.1644737), wk = 0.0021786 k( 27) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0021786 k( 28) = ( 0.0000000 0.0000000 0.1776316), wk = 0.0021786 k( 29) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0021786 k( 30) = ( 0.0000000 0.0000000 0.1907895), wk = 0.0021786 k( 31) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0021786 k( 32) = ( 0.0000000 0.0000000 0.2039474), wk = 0.0021786 k( 33) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0021786 k( 34) = ( 0.0000000 0.0000000 0.2171053), wk = 0.0021786 k( 35) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0021786 k( 36) = ( 0.0000000 0.0000000 0.2302632), wk = 0.0021786 k( 37) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0021786 k( 38) = ( 0.0000000 0.0000000 0.2434210), wk = 0.0021786 k( 39) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0021786 k( 40) = ( 0.0000000 0.0000000 0.2565789), wk = 0.0021786 k( 41) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0021786 k( 42) = ( 0.0000000 0.0000000 0.2697368), wk = 0.0021786 k( 43) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0021786 k( 44) = ( 0.0000000 0.0000000 0.2828947), wk = 0.0021786 k( 45) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0021786 k( 46) = ( 0.0000000 0.0000000 0.2960526), wk = 0.0021786 k( 47) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0021786 k( 48) = ( 0.0000000 0.0000000 0.3092105), wk = 0.0021786 k( 49) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0021786 k( 50) = ( 0.0000000 0.0000000 0.3223684), wk = 0.0021786 k( 51) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0021786 k( 52) = ( 0.0000000 0.0000000 0.3355263), wk = 0.0021786 k( 53) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0021786 k( 54) = ( 0.0000000 0.0000000 0.3486842), wk = 0.0021786 k( 55) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0021786 k( 56) = ( 0.0000000 0.0000000 0.3618421), wk = 0.0021786 k( 57) = ( 0.0000000 0.0000000 0.3684210), wk = 0.0021786 k( 58) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0021786 k( 59) = ( 0.0000000 0.0000000 0.3815789), wk = 0.0021786 k( 60) = ( 0.0000000 0.0000000 0.3881579), wk = 0.0021786 k( 61) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0021786 k( 62) = ( 0.0000000 0.0000000 0.4013158), wk = 0.0021786 k( 63) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0021786 k( 64) = ( 0.0000000 0.0000000 0.4144737), wk = 0.0021786 k( 65) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0021786 k( 66) = ( 0.0000000 0.0000000 0.4276316), wk = 0.0021786 k( 67) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0021786 k( 68) = ( 0.0000000 0.0000000 0.4407895), wk = 0.0021786 k( 69) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0021786 k( 70) = ( 0.0000000 0.0000000 0.4539474), wk = 0.0021786 k( 71) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0021786 k( 72) = ( 0.0000000 0.0000000 0.4671053), wk = 0.0021786 k( 73) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0021786 k( 74) = ( 0.0000000 0.0000000 0.4802632), wk = 0.0021786 k( 75) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0021786 k( 76) = ( 0.0000000 0.0000000 0.4934211), wk = 0.0021786 k( 77) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021786 k( 78) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021786 k( 79) = ( -0.0064176 0.0064176 0.5000000), wk = 0.0021786 k( 80) = ( -0.0128352 0.0128352 0.5000000), wk = 0.0021786 k( 81) = ( -0.0192529 0.0192529 0.5000000), wk = 0.0021786 k( 82) = ( -0.0256705 0.0256705 0.5000000), wk = 0.0021786 k( 83) = ( -0.0320881 0.0320881 0.5000000), wk = 0.0021786 k( 84) = ( -0.0385058 0.0385058 0.5000000), wk = 0.0021786 k( 85) = ( -0.0449234 0.0449234 0.5000000), wk = 0.0021786 k( 86) = ( -0.0449234 0.0449234 0.5000000), wk = 0.0021786 k( 87) = ( -0.0495670 0.0495670 0.4953564), wk = 0.0021786 k( 88) = ( -0.0542107 0.0542107 0.4907127), wk = 0.0021786 k( 89) = ( -0.0588543 0.0588543 0.4860691), wk = 0.0021786 k( 90) = ( -0.0634979 0.0634979 0.4814254), wk = 0.0021786 k( 91) = ( -0.0681416 0.0681416 0.4767818), wk = 0.0021786 k( 92) = ( -0.0727852 0.0727852 0.4721382), wk = 0.0021786 k( 93) = ( -0.0774289 0.0774289 0.4674945), wk = 0.0021786 k( 94) = ( -0.0820725 0.0820725 0.4628509), wk = 0.0021786 k( 95) = ( -0.0867161 0.0867161 0.4582073), wk = 0.0021786 k( 96) = ( -0.0913598 0.0913598 0.4535636), wk = 0.0021786 k( 97) = ( -0.0960034 0.0960034 0.4489200), wk = 0.0021786 k( 98) = ( -0.1006471 0.1006470 0.4442763), wk = 0.0021786 k( 99) = ( -0.1052907 0.1052907 0.4396327), wk = 0.0021786 k( 100) = ( -0.1099343 0.1099343 0.4349890), wk = 0.0021786 k( 101) = ( -0.1145780 0.1145780 0.4303454), wk = 0.0021786 k( 102) = ( -0.1192216 0.1192216 0.4257018), wk = 0.0021786 k( 103) = ( -0.1238652 0.1238652 0.4210581), wk = 0.0021786 k( 104) = ( -0.1285089 0.1285089 0.4164145), wk = 0.0021786 k( 105) = ( -0.1331525 0.1331525 0.4117709), wk = 0.0021786 k( 106) = ( -0.1377962 0.1377962 0.4071272), wk = 0.0021786 k( 107) = ( -0.1424398 0.1424398 0.4024836), wk = 0.0021786 k( 108) = ( -0.1470834 0.1470834 0.3978399), wk = 0.0021786 k( 109) = ( -0.1517271 0.1517271 0.3931963), wk = 0.0021786 k( 110) = ( -0.1563707 0.1563707 0.3885527), wk = 0.0021786 k( 111) = ( -0.1610144 0.1610144 0.3839090), wk = 0.0021786 k( 112) = ( -0.1656580 0.1656580 0.3792654), wk = 0.0021786 k( 113) = ( -0.1703016 0.1703016 0.3746217), wk = 0.0021786 k( 114) = ( -0.1749453 0.1749453 0.3699781), wk = 0.0021786 k( 115) = ( -0.1795889 0.1795889 0.3653345), wk = 0.0021786 k( 116) = ( -0.1842325 0.1842325 0.3606908), wk = 0.0021786 k( 117) = ( -0.1888762 0.1888762 0.3560472), wk = 0.0021786 k( 118) = ( -0.1935198 0.1935198 0.3514036), wk = 0.0021786 k( 119) = ( -0.1981635 0.1981635 0.3467599), wk = 0.0021786 k( 120) = ( -0.2028071 0.2028071 0.3421163), wk = 0.0021786 k( 121) = ( -0.2074507 0.2074507 0.3374726), wk = 0.0021786 k( 122) = ( -0.2120944 0.2120944 0.3328290), wk = 0.0021786 k( 123) = ( -0.2167380 0.2167380 0.3281854), wk = 0.0021786 k( 124) = ( -0.2213817 0.2213817 0.3235417), wk = 0.0021786 k( 125) = ( -0.2260253 0.2260253 0.3188981), wk = 0.0021786 k( 126) = ( -0.2306689 0.2306689 0.3142544), wk = 0.0021786 k( 127) = ( -0.2353126 0.2353126 0.3096108), wk = 0.0021786 k( 128) = ( -0.2399562 0.2399562 0.3049672), wk = 0.0021786 k( 129) = ( -0.2445999 0.2445999 0.3003235), wk = 0.0021786 k( 130) = ( -0.2492435 0.2492435 0.2956799), wk = 0.0021786 k( 131) = ( -0.2538871 0.2538871 0.2910362), wk = 0.0021786 k( 132) = ( -0.2585308 0.2585308 0.2863926), wk = 0.0021786 k( 133) = ( -0.2631744 0.2631744 0.2817490), wk = 0.0021786 k( 134) = ( -0.2678180 0.2678180 0.2771053), wk = 0.0021786 k( 135) = ( -0.2724617 0.2724617 0.2724617), wk = 0.0021786 k( 136) = ( -0.2724617 0.2724617 0.2724617), wk = 0.0021786 k( 137) = ( -0.2678437 0.2678437 0.2678437), wk = 0.0021786 k( 138) = ( -0.2632257 0.2632257 0.2632257), wk = 0.0021786 k( 139) = ( -0.2586077 0.2586077 0.2586077), wk = 0.0021786 k( 140) = ( -0.2539897 0.2539897 0.2539897), wk = 0.0021786 k( 141) = ( -0.2493717 0.2493717 0.2493717), wk = 0.0021786 k( 142) = ( -0.2447537 0.2447537 0.2447537), wk = 0.0021786 k( 143) = ( -0.2401357 0.2401357 0.2401357), wk = 0.0021786 k( 144) = ( -0.2355177 0.2355177 0.2355177), wk = 0.0021786 k( 145) = ( -0.2308997 0.2308997 0.2308997), wk = 0.0021786 k( 146) = ( -0.2262817 0.2262817 0.2262817), wk = 0.0021786 k( 147) = ( -0.2216637 0.2216637 0.2216637), wk = 0.0021786 k( 148) = ( -0.2170458 0.2170457 0.2170458), wk = 0.0021786 k( 149) = ( -0.2124278 0.2124278 0.2124278), wk = 0.0021786 k( 150) = ( -0.2078098 0.2078098 0.2078098), wk = 0.0021786 k( 151) = ( -0.2031918 0.2031918 0.2031918), wk = 0.0021786 k( 152) = ( -0.1985738 0.1985738 0.1985738), wk = 0.0021786 k( 153) = ( -0.1939558 0.1939558 0.1939558), wk = 0.0021786 k( 154) = ( -0.1893378 0.1893378 0.1893378), wk = 0.0021786 k( 155) = ( -0.1847198 0.1847198 0.1847198), wk = 0.0021786 k( 156) = ( -0.1801018 0.1801018 0.1801018), wk = 0.0021786 k( 157) = ( -0.1754838 0.1754838 0.1754838), wk = 0.0021786 k( 158) = ( -0.1708658 0.1708658 0.1708658), wk = 0.0021786 k( 159) = ( -0.1662478 0.1662478 0.1662478), wk = 0.0021786 k( 160) = ( -0.1616298 0.1616298 0.1616298), wk = 0.0021786 k( 161) = ( -0.1570118 0.1570118 0.1570118), wk = 0.0021786 k( 162) = ( -0.1523938 0.1523938 0.1523938), wk = 0.0021786 k( 163) = ( -0.1477758 0.1477758 0.1477758), wk = 0.0021786 k( 164) = ( -0.1431578 0.1431578 0.1431578), wk = 0.0021786 k( 165) = ( -0.1385398 0.1385398 0.1385398), wk = 0.0021786 k( 166) = ( -0.1339219 0.1339219 0.1339219), wk = 0.0021786 k( 167) = ( -0.1293038 0.1293038 0.1293038), wk = 0.0021786 k( 168) = ( -0.1246859 0.1246859 0.1246859), wk = 0.0021786 k( 169) = ( -0.1200679 0.1200679 0.1200679), wk = 0.0021786 k( 170) = ( -0.1154499 0.1154499 0.1154499), wk = 0.0021786 k( 171) = ( -0.1108319 0.1108319 0.1108319), wk = 0.0021786 k( 172) = ( -0.1062139 0.1062139 0.1062139), wk = 0.0021786 k( 173) = ( -0.1015959 0.1015959 0.1015959), wk = 0.0021786 k( 174) = ( -0.0969779 0.0969779 0.0969779), wk = 0.0021786 k( 175) = ( -0.0923599 0.0923599 0.0923599), wk = 0.0021786 k( 176) = ( -0.0877419 0.0877419 0.0877419), wk = 0.0021786 k( 177) = ( -0.0831239 0.0831239 0.0831239), wk = 0.0021786 k( 178) = ( -0.0785059 0.0785059 0.0785059), wk = 0.0021786 k( 179) = ( -0.0738879 0.0738879 0.0738879), wk = 0.0021786 k( 180) = ( -0.0692699 0.0692699 0.0692699), wk = 0.0021786 k( 181) = ( -0.0646519 0.0646519 0.0646519), wk = 0.0021786 k( 182) = ( -0.0600339 0.0600339 0.0600339), wk = 0.0021786 k( 183) = ( -0.0554159 0.0554159 0.0554159), wk = 0.0021786 k( 184) = ( -0.0507979 0.0507979 0.0507979), wk = 0.0021786 k( 185) = ( -0.0461799 0.0461799 0.0461799), wk = 0.0021786 k( 186) = ( -0.0415620 0.0415619 0.0415620), wk = 0.0021786 k( 187) = ( -0.0369440 0.0369440 0.0369440), wk = 0.0021786 k( 188) = ( -0.0323260 0.0323260 0.0323260), wk = 0.0021786 k( 189) = ( -0.0277080 0.0277080 0.0277080), wk = 0.0021786 k( 190) = ( -0.0230900 0.0230900 0.0230900), wk = 0.0021786 k( 191) = ( -0.0184720 0.0184720 0.0184720), wk = 0.0021786 k( 192) = ( -0.0138540 0.0138540 0.0138540), wk = 0.0021786 k( 193) = ( -0.0092360 0.0092360 0.0092360), wk = 0.0021786 k( 194) = ( -0.0046180 0.0046180 0.0046180), wk = 0.0021786 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 196) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 197) = ( 0.0151515 0.0151515 -0.0151515), wk = 0.0021786 k( 198) = ( 0.0303030 0.0303030 -0.0303030), wk = 0.0021786 k( 199) = ( 0.0454546 0.0454545 -0.0454546), wk = 0.0021786 k( 200) = ( 0.0606061 0.0606061 -0.0606061), wk = 0.0021786 k( 201) = ( 0.0757576 0.0757576 -0.0757576), wk = 0.0021786 k( 202) = ( 0.0909091 0.0909091 -0.0909091), wk = 0.0021786 k( 203) = ( 0.1060606 0.1060606 -0.1060606), wk = 0.0021786 k( 204) = ( 0.1212121 0.1212121 -0.1212121), wk = 0.0021786 k( 205) = ( 0.1363636 0.1363636 -0.1363636), wk = 0.0021786 k( 206) = ( 0.1515151 0.1515151 -0.1515151), wk = 0.0021786 k( 207) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0021786 k( 208) = ( 0.1818182 0.1818182 -0.1818182), wk = 0.0021786 k( 209) = ( 0.1969697 0.1969697 -0.1969697), wk = 0.0021786 k( 210) = ( 0.2121212 0.2121212 -0.2121212), wk = 0.0021786 k( 211) = ( 0.2272727 0.2272727 -0.2272727), wk = 0.0021786 k( 212) = ( 0.2424242 0.2424242 -0.2424242), wk = 0.0021786 k( 213) = ( 0.2575758 0.2575758 -0.2575758), wk = 0.0021786 k( 214) = ( 0.2727273 0.2727273 -0.2727273), wk = 0.0021786 k( 215) = ( 0.2878788 0.2878788 -0.2878788), wk = 0.0021786 k( 216) = ( 0.3030303 0.3030303 -0.3030303), wk = 0.0021786 k( 217) = ( 0.3181818 0.3181818 -0.3181818), wk = 0.0021786 k( 218) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0021786 k( 219) = ( 0.3484849 0.3484848 -0.3484849), wk = 0.0021786 k( 220) = ( 0.3636364 0.3636364 -0.3636364), wk = 0.0021786 k( 221) = ( 0.3787879 0.3787879 -0.3787879), wk = 0.0021786 k( 222) = ( 0.3939394 0.3939394 -0.3939394), wk = 0.0021786 k( 223) = ( 0.4090909 0.4090909 -0.4090909), wk = 0.0021786 k( 224) = ( 0.4242424 0.4242424 -0.4242424), wk = 0.0021786 k( 225) = ( 0.4393939 0.4393939 -0.4393939), wk = 0.0021786 k( 226) = ( 0.4545455 0.4545454 -0.4545455), wk = 0.0021786 k( 227) = ( 0.4696970 0.4696970 -0.4696970), wk = 0.0021786 k( 228) = ( 0.4848485 0.4848485 -0.4848485), wk = 0.0021786 k( 229) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021786 k( 230) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021786 k( 231) = ( 0.4953564 0.5046436 -0.4953564), wk = 0.0021786 k( 232) = ( 0.4907127 0.5092873 -0.4907127), wk = 0.0021786 k( 233) = ( 0.4860691 0.5139309 -0.4860691), wk = 0.0021786 k( 234) = ( 0.4814254 0.5185746 -0.4814254), wk = 0.0021786 k( 235) = ( 0.4767818 0.5232182 -0.4767818), wk = 0.0021786 k( 236) = ( 0.4721382 0.5278618 -0.4721382), wk = 0.0021786 k( 237) = ( 0.4674945 0.5325055 -0.4674945), wk = 0.0021786 k( 238) = ( 0.4628509 0.5371491 -0.4628509), wk = 0.0021786 k( 239) = ( 0.4582073 0.5417927 -0.4582072), wk = 0.0021786 k( 240) = ( 0.4535636 0.5464364 -0.4535636), wk = 0.0021786 k( 241) = ( 0.4489200 0.5510800 -0.4489200), wk = 0.0021786 k( 242) = ( 0.4442763 0.5557237 -0.4442763), wk = 0.0021786 k( 243) = ( 0.4396327 0.5603673 -0.4396327), wk = 0.0021786 k( 244) = ( 0.4349890 0.5650109 -0.4349890), wk = 0.0021786 k( 245) = ( 0.4303454 0.5696546 -0.4303454), wk = 0.0021786 k( 246) = ( 0.4257018 0.5742982 -0.4257018), wk = 0.0021786 k( 247) = ( 0.4210581 0.5789419 -0.4210581), wk = 0.0021786 k( 248) = ( 0.4164145 0.5835855 -0.4164145), wk = 0.0021786 k( 249) = ( 0.4117709 0.5882291 -0.4117709), wk = 0.0021786 k( 250) = ( 0.4071272 0.5928728 -0.4071272), wk = 0.0021786 k( 251) = ( 0.4024836 0.5975164 -0.4024836), wk = 0.0021786 k( 252) = ( 0.3978399 0.6021601 -0.3978399), wk = 0.0021786 k( 253) = ( 0.3931963 0.6068037 -0.3931963), wk = 0.0021786 k( 254) = ( 0.3885527 0.6114473 -0.3885527), wk = 0.0021786 k( 255) = ( 0.3839090 0.6160910 -0.3839090), wk = 0.0021786 k( 256) = ( 0.3792654 0.6207346 -0.3792654), wk = 0.0021786 k( 257) = ( 0.3746217 0.6253783 -0.3746217), wk = 0.0021786 k( 258) = ( 0.3699781 0.6300219 -0.3699781), wk = 0.0021786 k( 259) = ( 0.3653345 0.6346655 -0.3653345), wk = 0.0021786 k( 260) = ( 0.3606908 0.6393092 -0.3606908), wk = 0.0021786 k( 261) = ( 0.3560472 0.6439528 -0.3560472), wk = 0.0021786 k( 262) = ( 0.3514036 0.6485964 -0.3514035), wk = 0.0021786 k( 263) = ( 0.3467599 0.6532401 -0.3467599), wk = 0.0021786 k( 264) = ( 0.3421163 0.6578837 -0.3421163), wk = 0.0021786 k( 265) = ( 0.3374726 0.6625274 -0.3374726), wk = 0.0021786 k( 266) = ( 0.3328290 0.6671710 -0.3328290), wk = 0.0021786 k( 267) = ( 0.3281854 0.6718146 -0.3281854), wk = 0.0021786 k( 268) = ( 0.3235417 0.6764583 -0.3235417), wk = 0.0021786 k( 269) = ( 0.3188981 0.6811019 -0.3188981), wk = 0.0021786 k( 270) = ( 0.3142544 0.6857456 -0.3142544), wk = 0.0021786 k( 271) = ( 0.3096108 0.6903892 -0.3096108), wk = 0.0021786 k( 272) = ( 0.3049672 0.6950328 -0.3049672), wk = 0.0021786 k( 273) = ( 0.3003235 0.6996765 -0.3003235), wk = 0.0021786 k( 274) = ( 0.2956799 0.7043201 -0.2956799), wk = 0.0021786 k( 275) = ( 0.2910362 0.7089637 -0.2910362), wk = 0.0021786 k( 276) = ( 0.2863926 0.7136074 -0.2863926), wk = 0.0021786 k( 277) = ( 0.2817490 0.7182510 -0.2817490), wk = 0.0021786 k( 278) = ( 0.2771053 0.7228947 -0.2771053), wk = 0.0021786 k( 279) = ( 0.2724617 0.7275383 -0.2724617), wk = 0.0021786 k( 280) = ( 0.2724617 0.7275383 -0.2724617), wk = 0.0021786 k( 281) = ( 0.2564345 0.7141537 -0.2564345), wk = 0.0021786 k( 282) = ( 0.2404074 0.7007691 -0.2404074), wk = 0.0021786 k( 283) = ( 0.2243802 0.6873845 -0.2243802), wk = 0.0021786 k( 284) = ( 0.2083531 0.6739999 -0.2083531), wk = 0.0021786 k( 285) = ( 0.1923259 0.6606153 -0.1923259), wk = 0.0021786 k( 286) = ( 0.1762987 0.6472307 -0.1762987), wk = 0.0021786 k( 287) = ( 0.1602716 0.6338461 -0.1602716), wk = 0.0021786 k( 288) = ( 0.1442444 0.6204615 -0.1442444), wk = 0.0021786 k( 289) = ( 0.1282173 0.6070768 -0.1282173), wk = 0.0021786 k( 290) = ( 0.1121901 0.5936922 -0.1121901), wk = 0.0021786 k( 291) = ( 0.0961629 0.5803076 -0.0961630), wk = 0.0021786 k( 292) = ( 0.0801358 0.5669230 -0.0801358), wk = 0.0021786 k( 293) = ( 0.0641086 0.5535384 -0.0641086), wk = 0.0021786 k( 294) = ( 0.0480815 0.5401538 -0.0480815), wk = 0.0021786 k( 295) = ( 0.0320543 0.5267692 -0.0320543), wk = 0.0021786 k( 296) = ( 0.0160272 0.5133846 -0.0160272), wk = 0.0021786 k( 297) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021786 k( 298) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021786 k( 299) = ( 0.0046296 0.4953704 0.0046296), wk = 0.0021786 k( 300) = ( 0.0092593 0.4907407 0.0092593), wk = 0.0021786 k( 301) = ( 0.0138889 0.4861111 0.0138889), wk = 0.0021786 k( 302) = ( 0.0185185 0.4814815 0.0185185), wk = 0.0021786 k( 303) = ( 0.0231481 0.4768518 0.0231482), wk = 0.0021786 k( 304) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0021786 k( 305) = ( 0.0324074 0.4675926 0.0324074), wk = 0.0021786 k( 306) = ( 0.0370370 0.4629630 0.0370370), wk = 0.0021786 k( 307) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0021786 k( 308) = ( 0.0462963 0.4537037 0.0462963), wk = 0.0021786 k( 309) = ( 0.0509259 0.4490741 0.0509259), wk = 0.0021786 k( 310) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0021786 k( 311) = ( 0.0601852 0.4398148 0.0601852), wk = 0.0021786 k( 312) = ( 0.0648148 0.4351852 0.0648148), wk = 0.0021786 k( 313) = ( 0.0694444 0.4305556 0.0694444), wk = 0.0021786 k( 314) = ( 0.0740741 0.4259259 0.0740741), wk = 0.0021786 k( 315) = ( 0.0787037 0.4212963 0.0787037), wk = 0.0021786 k( 316) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0021786 k( 317) = ( 0.0879630 0.4120370 0.0879630), wk = 0.0021786 k( 318) = ( 0.0925926 0.4074074 0.0925926), wk = 0.0021786 k( 319) = ( 0.0972222 0.4027778 0.0972222), wk = 0.0021786 k( 320) = ( 0.1018518 0.3981481 0.1018518), wk = 0.0021786 k( 321) = ( 0.1064815 0.3935185 0.1064815), wk = 0.0021786 k( 322) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0021786 k( 323) = ( 0.1157407 0.3842593 0.1157407), wk = 0.0021786 k( 324) = ( 0.1203704 0.3796296 0.1203704), wk = 0.0021786 k( 325) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0021786 k( 326) = ( 0.1296296 0.3703704 0.1296296), wk = 0.0021786 k( 327) = ( 0.1342593 0.3657407 0.1342593), wk = 0.0021786 k( 328) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0021786 k( 329) = ( 0.1435185 0.3564815 0.1435185), wk = 0.0021786 k( 330) = ( 0.1481482 0.3518518 0.1481482), wk = 0.0021786 k( 331) = ( 0.1527778 0.3472222 0.1527778), wk = 0.0021786 k( 332) = ( 0.1574074 0.3425926 0.1574074), wk = 0.0021786 k( 333) = ( 0.1620370 0.3379630 0.1620370), wk = 0.0021786 k( 334) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0021786 k( 335) = ( 0.1712963 0.3287037 0.1712963), wk = 0.0021786 k( 336) = ( 0.1759259 0.3240741 0.1759259), wk = 0.0021786 k( 337) = ( 0.1805556 0.3194444 0.1805556), wk = 0.0021786 k( 338) = ( 0.1851852 0.3148148 0.1851852), wk = 0.0021786 k( 339) = ( 0.1898148 0.3101852 0.1898148), wk = 0.0021786 k( 340) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0021786 k( 341) = ( 0.1990741 0.3009259 0.1990741), wk = 0.0021786 k( 342) = ( 0.2037037 0.2962963 0.2037037), wk = 0.0021786 k( 343) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0021786 k( 344) = ( 0.2129630 0.2870370 0.2129630), wk = 0.0021786 k( 345) = ( 0.2175926 0.2824074 0.2175926), wk = 0.0021786 k( 346) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0021786 k( 347) = ( 0.2268518 0.2731481 0.2268518), wk = 0.0021786 k( 348) = ( 0.2314815 0.2685185 0.2314815), wk = 0.0021786 k( 349) = ( 0.2361111 0.2638889 0.2361111), wk = 0.0021786 k( 350) = ( 0.2407407 0.2592593 0.2407407), wk = 0.0021786 k( 351) = ( 0.2453704 0.2546296 0.2453704), wk = 0.0021786 k( 352) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021786 k( 353) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021786 k( 354) = ( 0.2638889 0.2638889 0.2336154), wk = 0.0021786 k( 355) = ( 0.2777778 0.2777778 0.2172307), wk = 0.0021786 k( 356) = ( 0.2916667 0.2916667 0.2008461), wk = 0.0021786 k( 357) = ( 0.3055556 0.3055556 0.1844615), wk = 0.0021786 k( 358) = ( 0.3194444 0.3194444 0.1680768), wk = 0.0021786 k( 359) = ( 0.3333333 0.3333333 0.1516922), wk = 0.0021786 k( 360) = ( 0.3472222 0.3472222 0.1353076), wk = 0.0021786 k( 361) = ( 0.3611111 0.3611111 0.1189229), wk = 0.0021786 k( 362) = ( 0.3750000 0.3750000 0.1025383), wk = 0.0021786 k( 363) = ( 0.3888889 0.3888889 0.0861537), wk = 0.0021786 k( 364) = ( 0.4027778 0.4027778 0.0697690), wk = 0.0021786 k( 365) = ( 0.4166667 0.4166667 0.0533844), wk = 0.0021786 k( 366) = ( 0.4305556 0.4305556 0.0369998), wk = 0.0021786 k( 367) = ( 0.4444444 0.4444444 0.0206152), wk = 0.0021786 k( 368) = ( 0.4583333 0.4583333 0.0042305), wk = 0.0021786 k( 369) = ( 0.4722222 0.4722222 -0.0121541), wk = 0.0021786 k( 370) = ( 0.4861111 0.4861111 -0.0285387), wk = 0.0021786 k( 371) = ( 0.5000000 0.5000000 -0.0449234), wk = 0.0021786 k( 372) = ( 0.5000000 0.5000000 -0.0449234), wk = 0.0021786 k( 373) = ( 0.5000000 0.5000000 -0.0515187), wk = 0.0021786 k( 374) = ( 0.5000000 0.5000000 -0.0581140), wk = 0.0021786 k( 375) = ( 0.5000000 0.5000000 -0.0647093), wk = 0.0021786 k( 376) = ( 0.5000000 0.5000000 -0.0713046), wk = 0.0021786 k( 377) = ( 0.5000000 0.5000000 -0.0779000), wk = 0.0021786 k( 378) = ( 0.5000000 0.5000000 -0.0844953), wk = 0.0021786 k( 379) = ( 0.5000000 0.5000000 -0.0910906), wk = 0.0021786 k( 380) = ( 0.5000000 0.5000000 -0.0976859), wk = 0.0021786 k( 381) = ( 0.5000000 0.5000000 -0.1042812), wk = 0.0021786 k( 382) = ( 0.5000000 0.5000000 -0.1108765), wk = 0.0021786 k( 383) = ( 0.5000000 0.5000000 -0.1174718), wk = 0.0021786 k( 384) = ( 0.5000000 0.5000000 -0.1240671), wk = 0.0021786 k( 385) = ( 0.5000000 0.5000000 -0.1306625), wk = 0.0021786 k( 386) = ( 0.5000000 0.5000000 -0.1372578), wk = 0.0021786 k( 387) = ( 0.5000000 0.5000000 -0.1438531), wk = 0.0021786 k( 388) = ( 0.5000000 0.5000000 -0.1504484), wk = 0.0021786 k( 389) = ( 0.5000000 0.5000000 -0.1570437), wk = 0.0021786 k( 390) = ( 0.5000000 0.5000000 -0.1636390), wk = 0.0021786 k( 391) = ( 0.5000000 0.5000000 -0.1702343), wk = 0.0021786 k( 392) = ( 0.5000000 0.5000000 -0.1768297), wk = 0.0021786 k( 393) = ( 0.5000000 0.5000000 -0.1834250), wk = 0.0021786 k( 394) = ( 0.5000000 0.5000000 -0.1900203), wk = 0.0021786 k( 395) = ( 0.5000000 0.5000000 -0.1966156), wk = 0.0021786 k( 396) = ( 0.5000000 0.5000000 -0.2032109), wk = 0.0021786 k( 397) = ( 0.5000000 0.5000000 -0.2098062), wk = 0.0021786 k( 398) = ( 0.5000000 0.5000000 -0.2164015), wk = 0.0021786 k( 399) = ( 0.5000000 0.5000000 -0.2229968), wk = 0.0021786 k( 400) = ( 0.5000000 0.5000000 -0.2295922), wk = 0.0021786 k( 401) = ( 0.5000000 0.5000000 -0.2361875), wk = 0.0021786 k( 402) = ( 0.5000000 0.5000000 -0.2427828), wk = 0.0021786 k( 403) = ( 0.5000000 0.5000000 -0.2493781), wk = 0.0021786 k( 404) = ( 0.5000000 0.5000000 -0.2559734), wk = 0.0021786 k( 405) = ( 0.5000000 0.5000000 -0.2625687), wk = 0.0021786 k( 406) = ( 0.5000000 0.5000000 -0.2691640), wk = 0.0021786 k( 407) = ( 0.5000000 0.5000000 -0.2757594), wk = 0.0021786 k( 408) = ( 0.5000000 0.5000000 -0.2823547), wk = 0.0021786 k( 409) = ( 0.5000000 0.5000000 -0.2889500), wk = 0.0021786 k( 410) = ( 0.5000000 0.5000000 -0.2955453), wk = 0.0021786 k( 411) = ( 0.5000000 0.5000000 -0.3021406), wk = 0.0021786 k( 412) = ( 0.5000000 0.5000000 -0.3087359), wk = 0.0021786 k( 413) = ( 0.5000000 0.5000000 -0.3153312), wk = 0.0021786 k( 414) = ( 0.5000000 0.5000000 -0.3219265), wk = 0.0021786 k( 415) = ( 0.5000000 0.5000000 -0.3285219), wk = 0.0021786 k( 416) = ( 0.5000000 0.5000000 -0.3351172), wk = 0.0021786 k( 417) = ( 0.5000000 0.5000000 -0.3417125), wk = 0.0021786 k( 418) = ( 0.5000000 0.5000000 -0.3483078), wk = 0.0021786 k( 419) = ( 0.5000000 0.5000000 -0.3549031), wk = 0.0021786 k( 420) = ( 0.5000000 0.5000000 -0.3614984), wk = 0.0021786 k( 421) = ( 0.5000000 0.5000000 -0.3680937), wk = 0.0021786 k( 422) = ( 0.5000000 0.5000000 -0.3746891), wk = 0.0021786 k( 423) = ( 0.5000000 0.5000000 -0.3812844), wk = 0.0021786 k( 424) = ( 0.5000000 0.5000000 -0.3878797), wk = 0.0021786 k( 425) = ( 0.5000000 0.5000000 -0.3944750), wk = 0.0021786 k( 426) = ( 0.5000000 0.5000000 -0.4010703), wk = 0.0021786 k( 427) = ( 0.5000000 0.5000000 -0.4076656), wk = 0.0021786 k( 428) = ( 0.5000000 0.5000000 -0.4142609), wk = 0.0021786 k( 429) = ( 0.5000000 0.5000000 -0.4208562), wk = 0.0021786 k( 430) = ( 0.5000000 0.5000000 -0.4274516), wk = 0.0021786 k( 431) = ( 0.5000000 0.5000000 -0.4340469), wk = 0.0021786 k( 432) = ( 0.5000000 0.5000000 -0.4406422), wk = 0.0021786 k( 433) = ( 0.5000000 0.5000000 -0.4472375), wk = 0.0021786 k( 434) = ( 0.5000000 0.5000000 -0.4538328), wk = 0.0021786 k( 435) = ( 0.5000000 0.5000000 -0.4604281), wk = 0.0021786 k( 436) = ( 0.5000000 0.5000000 -0.4670234), wk = 0.0021786 k( 437) = ( 0.5000000 0.5000000 -0.4736187), wk = 0.0021786 k( 438) = ( 0.5000000 0.5000000 -0.4802141), wk = 0.0021786 k( 439) = ( 0.5000000 0.5000000 -0.4868094), wk = 0.0021786 k( 440) = ( 0.5000000 0.5000000 -0.4934047), wk = 0.0021786 k( 441) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021786 k( 442) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021786 k( 443) = ( 0.0147059 0.0147059 0.4852941), wk = 0.0021786 k( 444) = ( 0.0294118 0.0294118 0.4705882), wk = 0.0021786 k( 445) = ( 0.0441177 0.0441176 0.4558823), wk = 0.0021786 k( 446) = ( 0.0588235 0.0588235 0.4411765), wk = 0.0021786 k( 447) = ( 0.0735294 0.0735294 0.4264706), wk = 0.0021786 k( 448) = ( 0.0882353 0.0882353 0.4117647), wk = 0.0021786 k( 449) = ( 0.1029412 0.1029412 0.3970588), wk = 0.0021786 k( 450) = ( 0.1176471 0.1176471 0.3823529), wk = 0.0021786 k( 451) = ( 0.1323529 0.1323529 0.3676471), wk = 0.0021786 k( 452) = ( 0.1470588 0.1470588 0.3529412), wk = 0.0021786 k( 453) = ( 0.1617647 0.1617647 0.3382353), wk = 0.0021786 k( 454) = ( 0.1764706 0.1764706 0.3235294), wk = 0.0021786 k( 455) = ( 0.1911765 0.1911765 0.3088235), wk = 0.0021786 k( 456) = ( 0.2058823 0.2058823 0.2941176), wk = 0.0021786 k( 457) = ( 0.2205882 0.2205882 0.2794118), wk = 0.0021786 k( 458) = ( 0.2352941 0.2352941 0.2647059), wk = 0.0021786 k( 459) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021786 Dense grid: 123243 G-vectors FFT dimensions: ( 96, 96, 96) Smooth grid: 28037 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 196, 34) NL pseudopotentials 0.12 Mb ( 98, 82) Each V/rho on FFT grid 0.42 Mb ( 27648) Each G-vector array 0.03 Mb ( 3424) G-vector shells 0.01 Mb ( 1587) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.41 Mb ( 196, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.09 Mb ( 82, 2, 34) The potential is recalculated from file : ./BeAu2.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.1 secs Computing kpt #: 5 total cpu time spent up to now is 5.6 secs Computing kpt #: 6 total cpu time spent up to now is 6.2 secs Computing kpt #: 7 total cpu time spent up to now is 6.7 secs Computing kpt #: 8 total cpu time spent up to now is 7.2 secs Computing kpt #: 9 total cpu time spent up to now is 7.8 secs Computing kpt #: 10 total cpu time spent up to now is 8.3 secs Computing kpt #: 11 total cpu time spent up to now is 8.8 secs Computing kpt #: 12 total cpu time spent up to now is 9.3 secs Computing kpt #: 13 total cpu time spent up to now is 9.8 secs Computing kpt #: 14 total cpu time spent up to now is 10.2 secs Computing kpt #: 15 total cpu time spent up to now is 10.7 secs Computing kpt #: 16 total cpu time spent up to now is 11.1 secs Computing kpt #: 17 total cpu time spent up to now is 11.6 secs Computing kpt #: 18 total cpu time spent up to now is 12.0 secs Computing kpt #: 19 total cpu time spent up to now is 12.5 secs Computing kpt #: 20 total cpu time spent up to now is 12.9 secs Computing kpt #: 21 total cpu time spent up to now is 13.4 secs Computing kpt #: 22 total cpu time spent up to now is 13.8 secs Computing kpt #: 23 total cpu time spent up to now is 14.2 secs Computing kpt #: 24 total cpu time spent up to now is 14.7 secs Computing kpt #: 25 total cpu time spent up to now is 15.1 secs Computing kpt #: 26 total cpu time spent up to now is 15.5 secs Computing kpt #: 27 total cpu time spent up to now is 16.0 secs Computing kpt #: 28 total cpu time spent up to now is 16.4 secs Computing kpt #: 29 total cpu time spent up to now is 16.8 secs Computing kpt #: 30 total cpu time spent up to now is 17.3 secs Computing kpt #: 31 total cpu time spent up to now is 17.7 secs Computing kpt #: 32 total cpu time spent up to now is 18.1 secs Computing kpt #: 33 total cpu time spent up to now is 18.6 secs Computing kpt #: 34 total cpu time spent up to now is 19.0 secs Computing kpt #: 35 total cpu time spent up to now is 19.4 secs Computing kpt #: 36 total cpu time spent up to now is 19.8 secs Computing kpt #: 37 total cpu time spent up to now is 20.3 secs Computing kpt #: 38 total cpu time spent up to now is 20.7 secs Computing kpt #: 39 total cpu time spent up to now is 21.1 secs Computing kpt #: 40 total cpu time spent up to now is 21.6 secs Computing kpt #: 41 total cpu time spent up to now is 22.1 secs Computing kpt #: 42 total cpu time spent up to now is 22.5 secs Computing kpt #: 43 total cpu time spent up to now is 23.0 secs Computing kpt #: 44 total cpu time spent up to now is 23.6 secs Computing kpt #: 45 total cpu time spent up to now is 24.1 secs Computing kpt #: 46 total cpu time spent up to now is 24.6 secs Computing kpt #: 47 total cpu time spent up to now is 25.2 secs Computing kpt #: 48 total cpu time spent up to now is 25.8 secs Computing kpt #: 49 total cpu time spent up to now is 26.3 secs Computing kpt #: 50 total cpu time spent up to now is 26.9 secs Computing kpt #: 51 total cpu time spent up to now is 27.5 secs Computing kpt #: 52 total cpu time spent up to now is 28.0 secs Computing kpt #: 53 total cpu time spent up to now is 28.6 secs Computing kpt #: 54 total cpu time spent up to now is 29.1 secs Computing kpt #: 55 total cpu time spent up to now is 29.7 secs Computing kpt #: 56 total cpu time spent up to now is 30.3 secs Computing kpt #: 57 total cpu time spent up to now is 30.8 secs Computing kpt #: 58 total cpu time spent up to now is 31.4 secs Computing kpt #: 59 total cpu time spent up to now is 32.0 secs Computing kpt #: 60 total cpu time spent up to now is 32.6 secs Computing kpt #: 61 total cpu time spent up to now is 33.2 secs Computing kpt #: 62 total cpu time spent up to now is 33.8 secs Computing kpt #: 63 total cpu time spent up to now is 34.4 secs Computing kpt #: 64 total cpu time spent up to now is 35.1 secs Computing kpt #: 65 total cpu time spent up to now is 35.7 secs Computing kpt #: 66 total cpu time spent up to now is 36.2 secs Computing kpt #: 67 total cpu time spent up to now is 36.7 secs Computing kpt #: 68 total cpu time spent up to now is 37.2 secs Computing kpt #: 69 total cpu time spent up to now is 37.7 secs Computing kpt #: 70 total cpu time spent up to now is 38.2 secs Computing kpt #: 71 total cpu time spent up to now is 38.7 secs Computing kpt #: 72 total cpu time spent up to now is 39.2 secs Computing kpt #: 73 total cpu time spent up to now is 39.7 secs Computing kpt #: 74 total cpu time spent up to now is 40.2 secs Computing kpt #: 75 total cpu time spent up to now is 40.6 secs Computing kpt #: 76 total cpu time spent up to now is 41.1 secs Computing kpt #: 77 total cpu time spent up to now is 41.6 secs Computing kpt #: 78 total cpu time spent up to now is 42.1 secs Computing kpt #: 79 total cpu time spent up to now is 42.5 secs Computing kpt #: 80 total cpu time spent up to now is 43.0 secs Computing kpt #: 81 total cpu time spent up to now is 43.5 secs Computing kpt #: 82 total cpu time spent up to now is 44.0 secs Computing kpt #: 83 total cpu time spent up to now is 44.5 secs Computing kpt #: 84 total cpu time spent up to now is 45.1 secs Computing kpt #: 85 total cpu time spent up to now is 45.6 secs Computing kpt #: 86 total cpu time spent up to now is 46.2 secs Computing kpt #: 87 total cpu time spent up to now is 46.8 secs Computing kpt #: 88 total cpu time spent up to now is 47.3 secs Computing kpt #: 89 total cpu time spent up to now is 47.9 secs Computing kpt #: 90 total cpu time spent up to now is 48.4 secs Computing kpt #: 91 total cpu time spent up to now is 49.0 secs Computing kpt #: 92 total cpu time spent up to now is 49.5 secs Computing kpt #: 93 total cpu time spent up to now is 50.0 secs Computing kpt #: 94 total cpu time spent up to now is 50.5 secs Computing kpt #: 95 total cpu time spent up to now is 51.0 secs Computing kpt #: 96 total cpu time spent up to now is 51.5 secs Computing kpt #: 97 total cpu time spent up to now is 52.0 secs Computing kpt #: 98 total cpu time spent up to now is 52.5 secs Computing kpt #: 99 total cpu time spent up to now is 52.9 secs Computing kpt #: 100 total cpu time spent up to now is 53.4 secs Computing kpt #: 101 total cpu time spent up to now is 53.9 secs Computing kpt #: 102 total cpu time spent up to now is 54.3 secs Computing kpt #: 103 total cpu time spent up to now is 54.8 secs Computing kpt #: 104 total cpu time spent up to now is 55.3 secs Computing kpt #: 105 total cpu time spent up to now is 55.8 secs Computing kpt #: 106 total cpu time spent up to now is 56.2 secs Computing kpt #: 107 total cpu time spent up to now is 56.7 secs Computing kpt #: 108 total cpu time spent up to now is 57.1 secs Computing kpt #: 109 total cpu time spent up to now is 57.6 secs Computing kpt #: 110 total cpu time spent up to now is 58.1 secs Computing kpt #: 111 total cpu time spent up to now is 58.5 secs Computing kpt #: 112 total cpu time spent up to now is 59.0 secs Computing kpt #: 113 total cpu time spent up to now is 59.4 secs Computing kpt #: 114 total cpu time spent up to now is 59.9 secs Computing kpt #: 115 total cpu time spent up to now is 60.3 secs Computing kpt #: 116 total cpu time spent up to now is 60.7 secs Computing kpt #: 117 total cpu time spent up to now is 61.2 secs Computing kpt #: 118 total cpu time spent up to now is 61.6 secs Computing kpt #: 119 total cpu time spent up to now is 62.0 secs Computing kpt #: 120 total cpu time spent up to now is 62.5 secs Computing kpt #: 121 total cpu time spent up to now is 62.9 secs Computing kpt #: 122 total cpu time spent up to now is 63.3 secs Computing kpt #: 123 total cpu time spent up to now is 63.8 secs Computing kpt #: 124 total cpu time spent up to now is 64.2 secs Computing kpt #: 125 total cpu time spent up to now is 64.7 secs Computing kpt #: 126 total cpu time spent up to now is 65.1 secs Computing kpt #: 127 total cpu time spent up to now is 65.7 secs Computing kpt #: 128 total cpu time spent up to now is 66.1 secs Computing kpt #: 129 total cpu time spent up to now is 66.5 secs Computing kpt #: 130 total cpu time spent up to now is 67.0 secs Computing kpt #: 131 total cpu time spent up to now is 67.4 secs Computing kpt #: 132 total cpu time spent up to now is 67.9 secs Computing kpt #: 133 total cpu time spent up to now is 68.3 secs Computing kpt #: 134 total cpu time spent up to now is 68.8 secs Computing kpt #: 135 total cpu time spent up to now is 69.2 secs Computing kpt #: 136 total cpu time spent up to now is 69.7 secs Computing kpt #: 137 total cpu time spent up to now is 70.1 secs Computing kpt #: 138 total cpu time spent up to now is 70.6 secs Computing kpt #: 139 total cpu time spent up to now is 71.0 secs Computing kpt #: 140 total cpu time spent up to now is 71.4 secs Computing kpt #: 141 total cpu time spent up to now is 71.8 secs Computing kpt #: 142 total cpu time spent up to now is 72.3 secs Computing kpt #: 143 total cpu time spent up to now is 72.7 secs Computing kpt #: 144 total cpu time spent up to now is 73.1 secs Computing kpt #: 145 total cpu time spent up to now is 73.5 secs Computing kpt #: 146 total cpu time spent up to now is 73.9 secs Computing kpt #: 147 total cpu time spent up to now is 74.3 secs Computing kpt #: 148 total cpu time spent up to now is 74.8 secs Computing kpt #: 149 total cpu time spent up to now is 75.2 secs Computing kpt #: 150 total cpu time spent up to now is 75.6 secs Computing kpt #: 151 total cpu time spent up to now is 76.0 secs Computing kpt #: 152 total cpu time spent up to now is 76.4 secs Computing kpt #: 153 total cpu time spent up to now is 76.8 secs Computing kpt #: 154 total cpu time spent up to now is 77.2 secs Computing kpt #: 155 total cpu time spent up to now is 77.7 secs Computing kpt #: 156 total cpu time spent up to now is 78.1 secs Computing kpt #: 157 total cpu time spent up to now is 78.5 secs Computing kpt #: 158 total cpu time spent up to now is 78.9 secs Computing kpt #: 159 total cpu time spent up to now is 79.3 secs Computing kpt #: 160 total cpu time spent up to now is 79.7 secs Computing kpt #: 161 total cpu time spent up to now is 80.1 secs Computing kpt #: 162 total cpu time spent up to now is 80.7 secs Computing kpt #: 163 total cpu time spent up to now is 81.2 secs Computing kpt #: 164 total cpu time spent up to now is 81.7 secs Computing kpt #: 165 total cpu time spent up to now is 82.2 secs Computing kpt #: 166 total cpu time spent up to now is 82.6 secs Computing kpt #: 167 total cpu time spent up to now is 83.1 secs Computing kpt #: 168 total cpu time spent up to now is 83.5 secs Computing kpt #: 169 total cpu time spent up to now is 83.9 secs Computing kpt #: 170 total cpu time spent up to now is 84.3 secs Computing kpt #: 171 total cpu time spent up to now is 84.7 secs Computing kpt #: 172 total cpu time spent up to now is 85.1 secs Computing kpt #: 173 total cpu time spent up to now is 85.6 secs Computing kpt #: 174 total cpu time spent up to now is 86.0 secs Computing kpt #: 175 total cpu time spent up to now is 86.4 secs Computing kpt #: 176 total cpu time spent up to now is 86.8 secs Computing kpt #: 177 total cpu time spent up to now is 87.2 secs Computing kpt #: 178 total cpu time spent up to now is 87.7 secs Computing kpt #: 179 total cpu time spent up to now is 88.1 secs Computing kpt #: 180 total cpu time spent up to now is 88.5 secs Computing kpt #: 181 total cpu time spent up to now is 89.0 secs Computing kpt #: 182 total cpu time spent up to now is 89.4 secs Computing kpt #: 183 total cpu time spent up to now is 89.8 secs Computing kpt #: 184 total cpu time spent up to now is 90.3 secs Computing kpt #: 185 total cpu time spent up to now is 90.7 secs Computing kpt #: 186 total cpu time spent up to now is 91.2 secs Computing kpt #: 187 total cpu time spent up to now is 91.6 secs Computing kpt #: 188 total cpu time spent up to now is 92.1 secs Computing kpt #: 189 total cpu time spent up to now is 92.6 secs Computing kpt #: 190 total cpu time spent up to now is 93.1 secs Computing kpt #: 191 total cpu time spent up to now is 93.7 secs Computing kpt #: 192 total cpu time spent up to now is 94.2 secs Computing kpt #: 193 total cpu time spent up to now is 94.8 secs Computing kpt #: 194 total cpu time spent up to now is 95.4 secs Computing kpt #: 195 total cpu time spent up to now is 95.9 secs Computing kpt #: 196 total cpu time spent up to now is 96.4 secs Computing kpt #: 197 total cpu time spent up to now is 97.0 secs Computing kpt #: 198 total cpu time spent up to now is 97.5 secs Computing kpt #: 199 total cpu time spent up to now is 98.1 secs Computing kpt #: 200 total cpu time spent up to now is 98.7 secs Computing kpt #: 201 total cpu time spent up to now is 99.2 secs Computing kpt #: 202 total cpu time spent up to now is 99.8 secs Computing kpt #: 203 total cpu time spent up to now is 100.4 secs Computing kpt #: 204 total cpu time spent up to now is 100.9 secs Computing kpt #: 205 total cpu time spent up to now is 101.5 secs Computing kpt #: 206 total cpu time spent up to now is 102.2 secs Computing kpt #: 207 total cpu time spent up to now is 102.8 secs Computing kpt #: 208 total cpu time spent up to now is 103.5 secs Computing kpt #: 209 total cpu time spent up to now is 104.3 secs Computing kpt #: 210 total cpu time spent up to now is 105.0 secs Computing kpt #: 211 total cpu time spent up to now is 105.7 secs Computing kpt #: 212 total cpu time spent up to now is 106.2 secs Computing kpt #: 213 total cpu time spent up to now is 106.7 secs Computing kpt #: 214 total cpu time spent up to now is 107.3 secs Computing kpt #: 215 total cpu time spent up to now is 107.8 secs Computing kpt #: 216 total cpu time spent up to now is 108.3 secs Computing kpt #: 217 total cpu time spent up to now is 108.8 secs Computing kpt #: 218 total cpu time spent up to now is 109.3 secs Computing kpt #: 219 total cpu time spent up to now is 109.8 secs Computing kpt #: 220 total cpu time spent up to now is 110.2 secs Computing kpt #: 221 total cpu time spent up to now is 110.7 secs Computing kpt #: 222 total cpu time spent up to now is 111.2 secs Computing kpt #: 223 total cpu time spent up to now is 111.6 secs Computing kpt #: 224 total cpu time spent up to now is 112.0 secs Computing kpt #: 225 total cpu time spent up to now is 112.5 secs Computing kpt #: 226 total cpu time spent up to now is 112.9 secs Computing kpt #: 227 total cpu time spent up to now is 113.4 secs Computing kpt #: 228 total cpu time spent up to now is 113.8 secs Computing kpt #: 229 total cpu time spent up to now is 114.2 secs Computing kpt #: 230 total cpu time spent up to now is 114.7 secs Computing kpt #: 231 total cpu time spent up to now is 115.1 secs Computing kpt #: 232 total cpu time spent up to now is 115.6 secs Computing kpt #: 233 total cpu time spent up to now is 116.0 secs Computing kpt #: 234 total cpu time spent up to now is 116.5 secs Computing kpt #: 235 total cpu time spent up to now is 116.9 secs Computing kpt #: 236 total cpu time spent up to now is 117.3 secs Computing kpt #: 237 total cpu time spent up to now is 117.8 secs Computing kpt #: 238 total cpu time spent up to now is 118.2 secs Computing kpt #: 239 total cpu time spent up to now is 118.6 secs Computing kpt #: 240 total cpu time spent up to now is 119.1 secs Computing kpt #: 241 total cpu time spent up to now is 119.5 secs Computing kpt #: 242 total cpu time spent up to now is 119.9 secs Computing kpt #: 243 total cpu time spent up to now is 120.4 secs Computing kpt #: 244 total cpu time spent up to now is 120.8 secs Computing kpt #: 245 total cpu time spent up to now is 121.2 secs Computing kpt #: 246 total cpu time spent up to now is 121.7 secs Computing kpt #: 247 total cpu time spent up to now is 122.1 secs Computing kpt #: 248 total cpu time spent up to now is 122.6 secs Computing kpt #: 249 total cpu time spent up to now is 123.0 secs Computing kpt #: 250 total cpu time spent up to now is 123.5 secs Computing kpt #: 251 total cpu time spent up to now is 124.0 secs Computing kpt #: 252 total cpu time spent up to now is 124.5 secs Computing kpt #: 253 total cpu time spent up to now is 125.0 secs Computing kpt #: 254 total cpu time spent up to now is 125.5 secs Computing kpt #: 255 total cpu time spent up to now is 126.0 secs Computing kpt #: 256 total cpu time spent up to now is 126.6 secs Computing kpt #: 257 total cpu time spent up to now is 127.1 secs Computing kpt #: 258 total cpu time spent up to now is 127.6 secs Computing kpt #: 259 total cpu time spent up to now is 128.2 secs Computing kpt #: 260 total cpu time spent up to now is 128.7 secs Computing kpt #: 261 total cpu time spent up to now is 129.3 secs Computing kpt #: 262 total cpu time spent up to now is 129.8 secs Computing kpt #: 263 total cpu time spent up to now is 130.3 secs Computing kpt #: 264 total cpu time spent up to now is 130.8 secs Computing kpt #: 265 total cpu time spent up to now is 131.3 secs Computing kpt #: 266 total cpu time spent up to now is 131.9 secs Computing kpt #: 267 total cpu time spent up to now is 132.4 secs Computing kpt #: 268 total cpu time spent up to now is 133.0 secs Computing kpt #: 269 total cpu time spent up to now is 133.5 secs Computing kpt #: 270 total cpu time spent up to now is 134.0 secs Computing kpt #: 271 total cpu time spent up to now is 134.6 secs Computing kpt #: 272 total cpu time spent up to now is 135.1 secs Computing kpt #: 273 total cpu time spent up to now is 135.7 secs Computing kpt #: 274 total cpu time spent up to now is 136.2 secs Computing kpt #: 275 total cpu time spent up to now is 136.7 secs Computing kpt #: 276 total cpu time spent up to now is 137.2 secs Computing kpt #: 277 total cpu time spent up to now is 137.8 secs Computing kpt #: 278 total cpu time spent up to now is 138.2 secs Computing kpt #: 279 total cpu time spent up to now is 138.7 secs Computing kpt #: 280 total cpu time spent up to now is 139.1 secs Computing kpt #: 281 total cpu time spent up to now is 139.5 secs Computing kpt #: 282 total cpu time spent up to now is 140.0 secs Computing kpt #: 283 total cpu time spent up to now is 140.4 secs Computing kpt #: 284 total cpu time spent up to now is 140.9 secs Computing kpt #: 285 total cpu time spent up to now is 141.4 secs Computing kpt #: 286 total cpu time spent up to now is 141.9 secs Computing kpt #: 287 total cpu time spent up to now is 142.4 secs Computing kpt #: 288 total cpu time spent up to now is 142.9 secs Computing kpt #: 289 total cpu time spent up to now is 143.4 secs Computing kpt #: 290 total cpu time spent up to now is 143.9 secs Computing kpt #: 291 total cpu time spent up to now is 144.4 secs Computing kpt #: 292 total cpu time spent up to now is 145.0 secs Computing kpt #: 293 total cpu time spent up to now is 145.5 secs Computing kpt #: 294 total cpu time spent up to now is 146.0 secs Computing kpt #: 295 total cpu time spent up to now is 146.5 secs Computing kpt #: 296 total cpu time spent up to now is 146.9 secs Computing kpt #: 297 total cpu time spent up to now is 147.4 secs Computing kpt #: 298 total cpu time spent up to now is 147.9 secs Computing kpt #: 299 total cpu time spent up to now is 148.4 secs Computing kpt #: 300 total cpu time spent up to now is 148.9 secs Computing kpt #: 301 total cpu time spent up to now is 149.4 secs Computing kpt #: 302 total cpu time spent up to now is 150.0 secs Computing kpt #: 303 total cpu time spent up to now is 150.5 secs Computing kpt #: 304 total cpu time spent up to now is 151.6 secs Computing kpt #: 305 total cpu time spent up to now is 152.2 secs Computing kpt #: 306 total cpu time spent up to now is 152.7 secs Computing kpt #: 307 total cpu time spent up to now is 153.2 secs Computing kpt #: 308 total cpu time spent up to now is 153.7 secs Computing kpt #: 309 total cpu time spent up to now is 154.3 secs Computing kpt #: 310 total cpu time spent up to now is 154.8 secs Computing kpt #: 311 total cpu time spent up to now is 155.3 secs Computing kpt #: 312 total cpu time spent up to now is 155.8 secs Computing kpt #: 313 total cpu time spent up to now is 156.2 secs Computing kpt #: 314 total cpu time spent up to now is 156.7 secs Computing kpt #: 315 total cpu time spent up to now is 157.1 secs Computing kpt #: 316 total cpu time spent up to now is 157.6 secs Computing kpt #: 317 total cpu time spent up to now is 158.1 secs Computing kpt #: 318 total cpu time spent up to now is 158.5 secs Computing kpt #: 319 total cpu time spent up to now is 159.0 secs Computing kpt #: 320 total cpu time spent up to now is 159.4 secs Computing kpt #: 321 total cpu time spent up to now is 159.9 secs Computing kpt #: 322 total cpu time spent up to now is 160.3 secs Computing kpt #: 323 total cpu time spent up to now is 160.8 secs Computing kpt #: 324 total cpu time spent up to now is 161.2 secs Computing kpt #: 325 total cpu time spent up to now is 161.7 secs Computing kpt #: 326 total cpu time spent up to now is 162.2 secs Computing kpt #: 327 total cpu time spent up to now is 162.6 secs Computing kpt #: 328 total cpu time spent up to now is 163.1 secs Computing kpt #: 329 total cpu time spent up to now is 163.7 secs Computing kpt #: 330 total cpu time spent up to now is 164.1 secs Computing kpt #: 331 total cpu time spent up to now is 164.6 secs Computing kpt #: 332 total cpu time spent up to now is 165.1 secs Computing kpt #: 333 total cpu time spent up to now is 165.6 secs Computing kpt #: 334 total cpu time spent up to now is 166.0 secs Computing kpt #: 335 total cpu time spent up to now is 166.5 secs Computing kpt #: 336 total cpu time spent up to now is 167.0 secs Computing kpt #: 337 total cpu time spent up to now is 167.4 secs Computing kpt #: 338 total cpu time spent up to now is 167.9 secs Computing kpt #: 339 total cpu time spent up to now is 168.4 secs Computing kpt #: 340 total cpu time spent up to now is 168.8 secs Computing kpt #: 341 total cpu time spent up to now is 169.3 secs Computing kpt #: 342 total cpu time spent up to now is 169.8 secs Computing kpt #: 343 total cpu time spent up to now is 170.2 secs Computing kpt #: 344 total cpu time spent up to now is 170.7 secs Computing kpt #: 345 total cpu time spent up to now is 171.2 secs Computing kpt #: 346 total cpu time spent up to now is 171.7 secs Computing kpt #: 347 total cpu time spent up to now is 172.2 secs Computing kpt #: 348 total cpu time spent up to now is 172.7 secs Computing kpt #: 349 total cpu time spent up to now is 173.3 secs Computing kpt #: 350 total cpu time spent up to now is 173.8 secs Computing kpt #: 351 total cpu time spent up to now is 174.3 secs Computing kpt #: 352 total cpu time spent up to now is 174.9 secs Computing kpt #: 353 total cpu time spent up to now is 175.4 secs Computing kpt #: 354 total cpu time spent up to now is 176.0 secs Computing kpt #: 355 total cpu time spent up to now is 176.5 secs Computing kpt #: 356 total cpu time spent up to now is 177.0 secs Computing kpt #: 357 total cpu time spent up to now is 177.5 secs Computing kpt #: 358 total cpu time spent up to now is 178.0 secs Computing kpt #: 359 total cpu time spent up to now is 178.5 secs Computing kpt #: 360 total cpu time spent up to now is 179.0 secs Computing kpt #: 361 total cpu time spent up to now is 179.4 secs Computing kpt #: 362 total cpu time spent up to now is 179.9 secs Computing kpt #: 363 total cpu time spent up to now is 180.4 secs Computing kpt #: 364 total cpu time spent up to now is 180.9 secs Computing kpt #: 365 total cpu time spent up to now is 181.4 secs Computing kpt #: 366 total cpu time spent up to now is 182.0 secs Computing kpt #: 367 total cpu time spent up to now is 182.5 secs Computing kpt #: 368 total cpu time spent up to now is 183.0 secs Computing kpt #: 369 total cpu time spent up to now is 183.6 secs Computing kpt #: 370 total cpu time spent up to now is 184.1 secs Computing kpt #: 371 total cpu time spent up to now is 184.7 secs Computing kpt #: 372 total cpu time spent up to now is 185.3 secs Computing kpt #: 373 total cpu time spent up to now is 185.8 secs Computing kpt #: 374 total cpu time spent up to now is 186.4 secs Computing kpt #: 375 total cpu time spent up to now is 187.0 secs Computing kpt #: 376 total cpu time spent up to now is 187.5 secs Computing kpt #: 377 total cpu time spent up to now is 188.1 secs Computing kpt #: 378 total cpu time spent up to now is 188.7 secs Computing kpt #: 379 total cpu time spent up to now is 189.2 secs Computing kpt #: 380 total cpu time spent up to now is 189.8 secs Computing kpt #: 381 total cpu time spent up to now is 190.3 secs Computing kpt #: 382 total cpu time spent up to now is 190.8 secs Computing kpt #: 383 total cpu time spent up to now is 191.4 secs Computing kpt #: 384 total cpu time spent up to now is 191.8 secs Computing kpt #: 385 total cpu time spent up to now is 192.3 secs Computing kpt #: 386 total cpu time spent up to now is 192.8 secs Computing kpt #: 387 total cpu time spent up to now is 193.2 secs Computing kpt #: 388 total cpu time spent up to now is 193.7 secs Computing kpt #: 389 total cpu time spent up to now is 194.2 secs Computing kpt #: 390 total cpu time spent up to now is 194.6 secs Computing kpt #: 391 total cpu time spent up to now is 195.0 secs Computing kpt #: 392 total cpu time spent up to now is 195.5 secs Computing kpt #: 393 total cpu time spent up to now is 195.9 secs Computing kpt #: 394 total cpu time spent up to now is 196.3 secs Computing kpt #: 395 total cpu time spent up to now is 196.8 secs Computing kpt #: 396 total cpu time spent up to now is 197.2 secs Computing kpt #: 397 total cpu time spent up to now is 197.7 secs Computing kpt #: 398 total cpu time spent up to now is 198.1 secs Computing kpt #: 399 total cpu time spent up to now is 198.5 secs Computing kpt #: 400 total cpu time spent up to now is 199.0 secs Computing kpt #: 401 total cpu time spent up to now is 199.4 secs Computing kpt #: 402 total cpu time spent up to now is 199.9 secs Computing kpt #: 403 total cpu time spent up to now is 200.3 secs Computing kpt #: 404 total cpu time spent up to now is 200.8 secs Computing kpt #: 405 total cpu time spent up to now is 201.2 secs Computing kpt #: 406 total cpu time spent up to now is 201.7 secs Computing kpt #: 407 total cpu time spent up to now is 202.1 secs Computing kpt #: 408 total cpu time spent up to now is 202.6 secs Computing kpt #: 409 total cpu time spent up to now is 203.0 secs Computing kpt #: 410 total cpu time spent up to now is 203.5 secs Computing kpt #: 411 total cpu time spent up to now is 204.0 secs Computing kpt #: 412 total cpu time spent up to now is 204.4 secs Computing kpt #: 413 total cpu time spent up to now is 204.9 secs Computing kpt #: 414 total cpu time spent up to now is 205.3 secs Computing kpt #: 415 total cpu time spent up to now is 205.7 secs Computing kpt #: 416 total cpu time spent up to now is 206.2 secs Computing kpt #: 417 total cpu time spent up to now is 206.6 secs Computing kpt #: 418 total cpu time spent up to now is 207.1 secs Computing kpt #: 419 total cpu time spent up to now is 207.5 secs Computing kpt #: 420 total cpu time spent up to now is 208.0 secs Computing kpt #: 421 total cpu time spent up to now is 208.4 secs Computing kpt #: 422 total cpu time spent up to now is 208.8 secs Computing kpt #: 423 total cpu time spent up to now is 209.3 secs Computing kpt #: 424 total cpu time spent up to now is 209.7 secs Computing kpt #: 425 total cpu time spent up to now is 210.1 secs Computing kpt #: 426 total cpu time spent up to now is 210.6 secs Computing kpt #: 427 total cpu time spent up to now is 211.0 secs Computing kpt #: 428 total cpu time spent up to now is 211.5 secs Computing kpt #: 429 total cpu time spent up to now is 211.9 secs Computing kpt #: 430 total cpu time spent up to now is 212.3 secs Computing kpt #: 431 total cpu time spent up to now is 212.8 secs Computing kpt #: 432 total cpu time spent up to now is 213.2 secs Computing kpt #: 433 total cpu time spent up to now is 213.7 secs Computing kpt #: 434 total cpu time spent up to now is 214.1 secs Computing kpt #: 435 total cpu time spent up to now is 214.5 secs Computing kpt #: 436 total cpu time spent up to now is 215.0 secs Computing kpt #: 437 total cpu time spent up to now is 215.4 secs Computing kpt #: 438 total cpu time spent up to now is 215.8 secs Computing kpt #: 439 total cpu time spent up to now is 216.3 secs Computing kpt #: 440 total cpu time spent up to now is 216.7 secs Computing kpt #: 441 total cpu time spent up to now is 217.2 secs Computing kpt #: 442 total cpu time spent up to now is 217.6 secs Computing kpt #: 443 total cpu time spent up to now is 218.1 secs Computing kpt #: 444 total cpu time spent up to now is 218.6 secs Computing kpt #: 445 total cpu time spent up to now is 219.0 secs Computing kpt #: 446 total cpu time spent up to now is 219.5 secs Computing kpt #: 447 total cpu time spent up to now is 220.0 secs Computing kpt #: 448 total cpu time spent up to now is 220.5 secs Computing kpt #: 449 total cpu time spent up to now is 220.9 secs Computing kpt #: 450 total cpu time spent up to now is 221.4 secs Computing kpt #: 451 total cpu time spent up to now is 221.9 secs Computing kpt #: 452 total cpu time spent up to now is 222.4 secs Computing kpt #: 453 total cpu time spent up to now is 222.9 secs Computing kpt #: 454 total cpu time spent up to now is 223.4 secs Computing kpt #: 455 total cpu time spent up to now is 223.9 secs Computing kpt #: 456 total cpu time spent up to now is 224.4 secs Computing kpt #: 457 total cpu time spent up to now is 224.9 secs Computing kpt #: 458 total cpu time spent up to now is 225.4 secs Computing kpt #: 459 total cpu time spent up to now is 226.0 secs ethr = 3.85E-08, avg # of iterations = 19.8 total cpu time spent up to now is 226.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3491 PWs) bands (ev): -86.2882 -86.2882 4.3637 4.3637 7.3471 7.3471 8.1505 8.1505 8.7399 8.7399 9.0195 9.0195 10.5684 10.5684 10.5903 10.5903 10.8084 10.8084 11.1395 11.1395 11.6194 11.6194 12.1943 12.1943 12.5395 12.5395 14.6998 14.6998 21.5985 21.5985 22.0661 22.0661 25.3627 25.3627 k = 0.0000 0.0000 0.0169 ( 3473 PWs) bands (ev): -86.2882 -86.2882 4.3655 4.3655 7.3486 7.3486 8.1513 8.1513 8.7403 8.7403 9.0198 9.0198 10.5645 10.5645 10.5884 10.5884 10.8101 10.8101 11.1368 11.1368 11.6191 11.6191 12.1909 12.1909 12.5486 12.5486 14.7009 14.7009 21.5953 21.5953 22.0624 22.0624 25.3492 25.3492 k = 0.0000 0.0000 0.0337 ( 3473 PWs) bands (ev): -86.2882 -86.2882 4.3707 4.3707 7.3533 7.3533 8.1537 8.1537 8.7414 8.7414 9.0205 9.0205 10.5516 10.5516 10.5846 10.5846 10.8146 10.8146 11.1288 11.1288 11.6183 11.6183 12.1815 12.1815 12.5751 12.5751 14.7043 14.7043 21.5856 21.5856 22.0511 22.0511 25.3088 25.3088 k = 0.0000 0.0000 0.0506 ( 3473 PWs) bands (ev): -86.2882 -86.2882 4.3793 4.3793 7.3610 7.3610 8.1578 8.1578 8.7433 8.7433 9.0217 9.0217 10.5292 10.5292 10.5804 10.5804 10.8206 10.8206 11.1168 11.1168 11.6166 11.6166 12.1680 12.1680 12.6165 12.6165 14.7100 14.7100 21.5696 21.5696 22.0325 22.0325 25.2426 25.2426 k = 0.0000 0.0000 0.0674 ( 3477 PWs) bands (ev): -86.2882 -86.2882 4.3915 4.3915 7.3717 7.3717 8.1634 8.1634 8.7459 8.7459 9.0234 9.0234 10.4987 10.4987 10.5759 10.5759 10.8268 10.8268 11.1024 11.1024 11.6133 11.6133 12.1519 12.1519 12.6704 12.6704 14.7179 14.7179 21.5475 21.5475 22.0069 22.0069 25.1527 25.1527 k = 0.0000 0.0000 0.0843 ( 3477 PWs) bands (ev): -86.2882 -86.2882 4.4070 4.4070 7.3855 7.3855 8.1706 8.1706 8.7492 8.7492 9.0256 9.0256 10.4612 10.4612 10.5706 10.5706 10.8318 10.8318 11.0873 11.0873 11.6082 11.6082 12.1343 12.1343 12.7346 12.7346 14.7280 14.7280 21.5195 21.5195 21.9745 21.9745 25.0421 25.0421 k = 0.0000 0.0000 0.1011 ( 3485 PWs) bands (ev): -86.2882 -86.2882 4.4260 4.4260 7.4024 7.4024 8.1794 8.1794 8.7533 8.7533 9.0283 9.0283 10.4180 10.4180 10.5644 10.5644 10.8344 10.8344 11.0732 11.0732 11.6009 11.6009 12.1158 12.1158 12.8075 12.8075 14.7404 14.7404 21.4859 21.4859 21.9358 21.9358 24.9147 24.9147 k = 0.0000 0.0000 0.1180 ( 3485 PWs) bands (ev): -86.2882 -86.2882 4.4485 4.4485 7.4221 7.4221 8.1898 8.1898 8.7580 8.7580 9.0314 9.0314 10.3698 10.3698 10.5574 10.5574 10.8340 10.8340 11.0616 11.0616 11.5911 11.5911 12.0964 12.0964 12.8879 12.8879 14.7550 14.7550 21.4472 21.4472 21.8913 21.8913 24.7746 24.7746 k = 0.0000 0.0000 0.1349 ( 3489 PWs) bands (ev): -86.2882 -86.2882 4.4743 4.4743 7.4449 7.4449 8.2017 8.2017 8.7634 8.7634 9.0350 9.0350 10.3173 10.3173 10.5494 10.5494 10.8300 10.8300 11.0536 11.0536 11.5788 11.5788 12.0763 12.0763 12.9747 12.9747 14.7718 14.7718 21.4036 21.4036 21.8415 21.8415 24.6255 24.6255 k = 0.0000 0.0000 0.1517 ( 3485 PWs) bands (ev): -86.2882 -86.2882 4.5035 4.5035 7.4704 7.4704 8.2151 8.2151 8.7694 8.7694 9.0390 9.0390 10.2612 10.2612 10.5406 10.5406 10.8225 10.8225 11.0493 11.0493 11.5640 11.5640 12.0554 12.0554 13.0671 13.0671 14.7907 14.7907 21.3556 21.3556 21.7868 21.7868 24.4706 24.4706 k = 0.0000 0.0000 0.1686 ( 3487 PWs) bands (ev): -86.2882 -86.2882 4.5361 4.5361 7.4988 7.4988 8.2300 8.2300 8.7761 8.7761 9.0435 9.0435 10.2022 10.2022 10.5311 10.5311 10.8119 10.8119 11.0486 11.0486 11.5467 11.5467 12.0335 12.0335 13.1644 13.1644 14.8118 14.8118 21.3036 21.3036 21.7278 21.7278 24.3123 24.3123 k = 0.0000 0.0000 0.1854 ( 3485 PWs) bands (ev): -86.2882 -86.2882 4.5719 4.5719 7.5300 7.5300 8.2463 8.2463 8.7833 8.7833 9.0485 9.0485 10.1410 10.1410 10.5207 10.5207 10.7990 10.7990 11.0509 11.0509 11.5271 11.5271 12.0105 12.0105 13.2661 13.2661 14.8350 14.8350 21.2481 21.2481 21.6651 21.6651 24.1525 24.1525 k = 0.0000 0.0000 0.2023 ( 3485 PWs) bands (ev): -86.2882 -86.2882 4.6111 4.6111 7.5638 7.5638 8.2640 8.2640 8.7910 8.7910 9.0539 9.0539 10.0779 10.0779 10.5097 10.5097 10.7844 10.7844 11.0555 11.0555 11.5052 11.5052 11.9865 11.9865 13.3716 13.3716 14.8603 14.8603 21.1894 21.1894 21.5991 21.5991 23.9929 23.9929 k = 0.0000 0.0000 0.2191 ( 3493 PWs) bands (ev): -86.2882 -86.2882 4.6535 4.6535 7.6001 7.6001 8.2831 8.2831 8.7992 8.7992 9.0597 9.0597 10.0137 10.0137 10.4979 10.4979 10.7688 10.7688 11.0617 11.0617 11.4812 11.4812 11.9613 11.9613 13.4806 13.4806 14.8876 14.8876 21.1279 21.1279 21.5304 21.5304 23.8344 23.8344 k = 0.0000 0.0000 0.2360 ( 3485 PWs) bands (ev): -86.2882 -86.2882 4.6992 4.6992 7.6389 7.6389 8.3035 8.3035 8.8079 8.8079 9.0660 9.0660 9.9488 9.9488 10.4856 10.4856 10.7526 10.7526 11.0693 11.0693 11.4551 11.4551 11.9350 11.9350 13.5926 13.5926 14.9169 14.9169 21.0641 21.0641 21.4593 21.4593 23.6779 23.6779 k = 0.0000 0.0000 0.2529 ( 3497 PWs) bands (ev): -86.2882 -86.2882 4.7480 4.7480 7.6800 7.6800 8.3251 8.3251 8.8169 8.8169 9.0727 9.0727 9.8836 9.8836 10.4728 10.4728 10.7361 10.7361 11.0777 11.0777 11.4272 11.4272 11.9076 11.9076 13.7075 13.7075 14.9481 14.9481 20.9982 20.9982 21.3863 21.3863 23.5242 23.5242 k = 0.0000 0.0000 0.2697 ( 3489 PWs) bands (ev): -86.2882 -86.2882 4.8000 4.8000 7.7233 7.7233 8.3478 8.3478 8.8262 8.8262 9.0798 9.0798 9.8184 9.8184 10.4595 10.4595 10.7197 10.7197 11.0868 11.0868 11.3976 11.3976 11.8792 11.8792 13.8249 13.8249 14.9813 14.9813 20.9306 20.9306 21.3119 21.3119 23.3737 23.3737 k = 0.0000 0.0000 0.2866 ( 3493 PWs) bands (ev): -86.2882 -86.2882 4.8550 4.8550 7.7686 7.7686 8.3717 8.3717 8.8357 8.8357 9.0873 9.0873 9.7538 9.7538 10.4457 10.4457 10.7035 10.7035 11.0964 11.0964 11.3664 11.3664 11.8499 11.8499 13.9446 13.9446 15.0164 15.0164 20.8615 20.8615 21.2363 21.2363 23.2268 23.2268 k = 0.0000 0.0000 0.3034 ( 3495 PWs) bands (ev): -86.2882 -86.2882 4.9130 4.9130 7.8157 7.8157 8.3965 8.3965 8.8454 8.8454 9.0953 9.0953 9.6900 9.6900 10.4315 10.4315 10.6875 10.6875 11.1063 11.1063 11.3338 11.3338 11.8199 11.8199 14.0665 14.0665 15.0534 15.0534 20.7913 20.7913 21.1600 21.1600 23.0838 23.0838 k = 0.0000 0.0000 0.3203 ( 3507 PWs) bands (ev): -86.2882 -86.2882 4.9739 4.9739 7.8643 7.8643 8.4221 8.4221 8.8552 8.8552 9.1037 9.1037 9.6274 9.6274 10.4169 10.4169 10.6719 10.6719 11.1166 11.1166 11.2999 11.2999 11.7892 11.7892 14.1903 14.1903 15.0921 15.0921 20.7202 20.7202 21.0833 21.0833 22.9450 22.9450 k = 0.0000 0.0000 0.3371 ( 3509 PWs) bands (ev): -86.2882 -86.2882 5.0378 5.0378 7.9143 7.9143 8.4484 8.4484 8.8648 8.8648 9.1126 9.1126 9.5663 9.5663 10.4020 10.4020 10.6568 10.6568 11.1270 11.1270 11.2650 11.2650 11.7582 11.7582 14.3160 14.3160 15.1327 15.1327 20.6483 20.6483 21.0065 21.0065 22.8107 22.8107 k = 0.0000 0.0000 0.3540 ( 3505 PWs) bands (ev): -86.2882 -86.2882 5.1044 5.1044 7.9653 7.9653 8.4753 8.4753 8.8743 8.8743 9.1220 9.1220 9.5073 9.5073 10.3869 10.3869 10.6423 10.6423 11.1375 11.1375 11.2295 11.2295 11.7270 11.7270 14.4433 14.4433 15.1750 15.1750 20.5758 20.5758 20.9299 20.9299 22.6808 22.6808 k = 0.0000 0.0000 0.3708 ( 3505 PWs) bands (ev): -86.2881 -86.2881 5.1736 5.1736 8.0170 8.0170 8.5024 8.5024 8.8833 8.8833 9.1318 9.1318 9.4507 9.4507 10.3715 10.3715 10.6283 10.6283 11.1471 11.1471 11.1943 11.1943 11.6960 11.6960 14.5721 14.5721 15.2191 15.2191 20.5028 20.5028 20.8537 20.8537 22.5555 22.5555 k = 0.0000 0.0000 0.3877 ( 3505 PWs) bands (ev): -86.2881 -86.2881 5.2455 5.2455 8.0689 8.0689 8.5295 8.5295 8.8918 8.8918 9.1420 9.1420 9.3973 9.3973 10.3560 10.3560 10.6150 10.6150 11.1457 11.1457 11.1697 11.1697 11.6655 11.6655 14.7023 14.7023 15.2650 15.2650 20.4296 20.4296 20.7782 20.7782 22.4349 22.4349 k = 0.0000 0.0000 0.4046 ( 3509 PWs) bands (ev): -86.2881 -86.2881 5.3199 5.3199 8.1206 8.1206 8.5563 8.5563 8.8992 8.8992 9.1526 9.1526 9.3479 9.3479 10.3403 10.3403 10.6023 10.6023 11.1145 11.1145 11.1747 11.1747 11.6359 11.6359 14.8336 14.8336 15.3127 15.3127 20.3561 20.3561 20.7036 20.7036 22.3191 22.3191 k = 0.0000 0.0000 0.4214 ( 3509 PWs) bands (ev): -86.2881 -86.2881 5.3966 5.3966 8.1715 8.1715 8.5821 8.5821 8.9053 8.9053 9.1634 9.1634 9.3040 9.3040 10.3245 10.3245 10.5903 10.5903 11.0782 11.0782 11.1849 11.1849 11.6077 11.6077 14.9659 14.9659 15.3625 15.3625 20.2824 20.2824 20.6302 20.6302 22.2080 22.2080 k = 0.0000 0.0000 0.4383 ( 3513 PWs) bands (ev): -86.2881 -86.2881 5.4755 5.4755 8.2210 8.2210 8.6065 8.6065 8.9093 8.9093 9.1733 9.1733 9.2678 9.2678 10.3086 10.3086 10.5790 10.5790 11.0417 11.0417 11.1954 11.1954 11.5814 11.5814 15.0986 15.0986 15.4145 15.4145 20.2086 20.2086 20.5579 20.5579 22.1016 22.1016 k = 0.0000 0.0000 0.4551 ( 3509 PWs) bands (ev): -86.2881 -86.2881 5.5565 5.5565 8.2684 8.2684 8.6285 8.6285 8.9108 8.9108 9.1794 9.1794 9.2441 9.2441 10.2926 10.2926 10.5685 10.5685 11.0059 11.0059 11.2056 11.2056 11.5576 11.5576 15.2310 15.2310 15.4697 15.4697 20.1347 20.1347 20.4872 20.4872 21.9999 21.9999 k = 0.0000 0.0000 0.4720 ( 3513 PWs) bands (ev): -86.2881 -86.2881 5.6394 5.6394 8.3129 8.3129 8.6471 8.6471 8.9092 8.9092 9.1770 9.1770 9.2391 9.2391 10.2765 10.2765 10.5588 10.5588 10.9713 10.9713 11.2150 11.2150 11.5370 11.5370 15.3608 15.3608 15.5300 15.5300 20.0608 20.0608 20.4180 20.4180 21.9029 21.9029 k = 0.0000 0.0000 0.4888 ( 3513 PWs) bands (ev): -86.2881 -86.2881 5.7239 5.7239 8.3537 8.3537 8.6611 8.6611 8.9049 8.9049 9.1704 9.1704 9.2500 9.2500 10.2602 10.2602 10.5499 10.5499 10.9385 10.9385 11.2235 11.2235 11.5204 11.5204 15.4813 15.4813 15.6022 15.6022 19.9869 19.9869 20.3505 20.3505 21.8106 21.8106 k = 0.0000 0.0000 0.5057 ( 3517 PWs) bands (ev): -86.2881 -86.2881 5.8100 5.8100 8.3897 8.3897 8.6696 8.6696 8.8990 8.8990 9.1669 9.1669 9.2695 9.2695 10.2435 10.2435 10.5419 10.5419 10.9081 10.9081 11.2305 11.2305 11.5083 11.5083 15.5787 15.5787 15.7000 15.7000 19.9129 19.9129 20.2847 20.2847 21.7228 21.7228 k = 0.0000 0.0000 0.5226 ( 3519 PWs) bands (ev): -86.2881 -86.2881 5.8973 5.8973 8.4198 8.4198 8.6721 8.6721 8.8933 8.8933 9.1682 9.1682 9.2952 9.2952 10.2264 10.2264 10.5351 10.5351 10.8807 10.8807 11.2359 11.2359 11.5013 11.5013 15.6536 15.6536 15.8227 15.8227 19.8391 19.8391 20.2208 20.2208 21.6394 21.6394 k = 0.0000 0.0000 0.5394 ( 3523 PWs) bands (ev): -86.2881 -86.2881 5.9856 5.9856 8.4427 8.4427 8.6698 8.6698 8.8890 8.8890 9.1731 9.1731 9.3267 9.3267 10.2085 10.2085 10.5296 10.5296 10.8570 10.8570 11.2398 11.2398 11.4998 11.4998 15.7199 15.7199 15.9565 15.9565 19.7653 19.7653 20.1588 20.1588 21.5605 21.5605 k = 0.0000 0.0000 0.5563 ( 3515 PWs) bands (ev): -86.2881 -86.2881 6.0745 6.0745 8.4571 8.4571 8.6648 8.6648 8.8863 8.8863 9.1798 9.1798 9.3640 9.3640 10.1894 10.1894 10.5259 10.5259 10.8375 10.8375 11.2425 11.2425 11.5037 11.5037 15.7841 15.7841 16.0947 16.0947 19.6916 19.6916 20.0987 20.0987 21.4858 21.4858 k = 0.0000 0.0000 0.5731 ( 3511 PWs) bands (ev): -86.2881 -86.2881 6.1639 6.1639 8.4617 8.4617 8.6598 8.6598 8.8847 8.8847 9.1872 9.1872 9.4070 9.4070 10.1690 10.1690 10.5243 10.5243 10.8229 10.8229 11.2447 11.2447 11.5125 11.5125 15.8484 15.8484 16.2351 16.2351 19.6181 19.6181 20.0404 20.0404 21.4153 21.4153 k = 0.0000 0.0000 0.5900 ( 3511 PWs) bands (ev): -86.2881 -86.2881 6.2531 6.2531 8.4568 8.4568 8.6564 8.6564 8.8835 8.8835 9.1942 9.1942 9.4549 9.4549 10.1468 10.1468 10.5254 10.5254 10.8136 10.8136 11.2471 11.2471 11.5258 11.5258 15.9136 15.9136 16.3769 16.3769 19.5447 19.5447 19.9841 19.9841 21.3488 21.3488 k = 0.0000 0.0000 0.6068 ( 3513 PWs) bands (ev): -86.2880 -86.2880 6.3420 6.3420 8.4437 8.4437 8.6546 8.6546 8.8821 8.8821 9.2004 9.2004 9.5072 9.5072 10.1229 10.1229 10.5295 10.5295 10.8099 10.8099 11.2506 11.2506 11.5429 11.5429 15.9801 15.9801 16.5197 16.5197 19.4716 19.4716 19.9297 19.9297 21.2863 21.2863 k = 0.0000 0.0000 0.6237 ( 3513 PWs) bands (ev): -86.2880 -86.2880 6.4299 6.4299 8.4248 8.4248 8.6531 8.6531 8.8800 8.8800 9.2059 9.2059 9.5627 9.5627 10.0974 10.0974 10.5369 10.5369 10.8120 10.8120 11.2557 11.2557 11.5632 11.5632 16.0480 16.0480 16.6632 16.6632 19.3988 19.3988 19.8772 19.8772 21.2275 21.2275 k = 0.0000 0.0000 0.6406 ( 3507 PWs) bands (ev): -86.2880 -86.2880 6.5165 6.5165 8.4024 8.4024 8.6505 8.6505 8.8772 8.8772 9.2107 9.2107 9.6207 9.6207 10.0704 10.0704 10.5479 10.5479 10.8202 10.8202 11.2632 11.2632 11.5864 11.5864 16.1176 16.1176 16.8072 16.8072 19.3262 19.3262 19.8265 19.8265 21.1725 21.1725 k = 0.0000 0.0000 0.6574 ( 3509 PWs) bands (ev): -86.2880 -86.2880 6.6010 6.6010 8.3782 8.3782 8.6457 8.6457 8.8733 8.8733 9.2149 9.2149 9.6803 9.6803 10.0426 10.0426 10.5624 10.5624 10.8344 10.8344 11.2734 11.2734 11.6119 11.6119 16.1890 16.1890 16.9516 16.9516 19.2540 19.2540 19.7776 19.7776 21.1210 21.1210 k = 0.0000 0.0000 0.6743 ( 3501 PWs) bands (ev): -86.2880 -86.2880 6.6831 6.6831 8.3532 8.3532 8.6383 8.6383 8.8685 8.8685 9.2188 9.2188 9.7404 9.7404 10.0148 10.0148 10.5807 10.5807 10.8544 10.8544 11.2866 11.2866 11.6397 11.6397 16.2623 16.2623 17.0961 17.0961 19.1822 19.1822 19.7306 19.7306 21.0728 21.0728 k = 0.0000 0.0000 0.6911 ( 3501 PWs) bands (ev): -86.2880 -86.2880 6.7620 6.7620 8.3282 8.3282 8.6277 8.6277 8.8627 8.8627 9.2227 9.2227 9.7999 9.7999 9.9883 9.9883 10.6026 10.6026 10.8801 10.8801 11.3030 11.3030 11.6692 11.6692 16.3377 16.3377 17.2406 17.2406 19.1109 19.1109 19.6853 19.6853 21.0278 21.0278 k = 0.0000 0.0000 0.7080 ( 3513 PWs) bands (ev): -86.2880 -86.2880 6.8371 6.8371 8.3038 8.3038 8.6139 8.6139 8.8559 8.8559 9.2266 9.2266 9.8559 9.8559 9.9661 9.9661 10.6284 10.6284 10.9109 10.9109 11.3228 11.3228 11.7005 11.7005 16.4151 16.4151 17.3847 17.3847 19.0400 19.0400 19.6418 19.6418 20.9857 20.9857 k = 0.0000 0.0000 0.7248 ( 3509 PWs) bands (ev): -86.2880 -86.2880 6.9079 6.9079 8.2801 8.2801 8.5970 8.5970 8.8483 8.8483 9.2307 9.2307 9.8942 9.8942 9.9629 9.9629 10.6582 10.6582 10.9463 10.9463 11.3462 11.3462 11.7333 11.7333 16.4948 16.4948 17.5282 17.5282 18.9697 18.9697 19.6001 19.6001 20.9461 20.9461 k = 0.0000 0.0000 0.7417 ( 3505 PWs) bands (ev): -86.2880 -86.2880 6.9737 6.9737 8.2572 8.2572 8.5771 8.5771 8.8400 8.8400 9.2348 9.2348 9.8925 9.8925 10.0016 10.0016 10.6922 10.6922 10.9858 10.9858 11.3732 11.3732 11.7675 11.7675 16.5768 16.5768 17.6706 17.6706 18.9000 18.9000 19.5604 19.5604 20.9081 20.9081 k = 0.0000 0.0000 0.7586 ( 3505 PWs) bands (ev): -86.2880 -86.2880 7.0342 7.0342 8.2353 8.2353 8.5543 8.5543 8.8311 8.8311 9.2386 9.2386 9.8778 9.8778 10.0559 10.0559 10.7306 10.7306 11.0288 11.0288 11.4039 11.4039 11.8029 11.8029 16.6611 16.6611 17.8113 17.8113 18.8310 18.8310 19.5226 19.5226 20.8686 20.8686 k = 0.0000 0.0000 0.7754 ( 3513 PWs) bands (ev): -86.2880 -86.2880 7.0888 7.0888 8.2140 8.2140 8.5290 8.5290 8.8219 8.8219 9.2417 9.2417 9.8639 9.8639 10.1128 10.1128 10.7734 10.7734 11.0746 11.0746 11.4382 11.4382 11.8394 11.8394 16.7479 16.7479 17.9497 17.9497 18.7629 18.7629 19.4870 19.4870 20.8120 20.8120 k = 0.0000 0.0000 0.7923 ( 3513 PWs) bands (ev): -86.2880 -86.2880 7.1375 7.1375 8.1933 8.1933 8.5015 8.5015 8.8125 8.8125 9.2436 9.2436 9.8538 9.8538 10.1702 10.1702 10.8206 10.8206 11.1227 11.1227 11.4762 11.4762 11.8768 11.8768 16.8372 16.8372 18.0844 18.0844 18.6959 18.6959 19.4540 19.4540 20.7013 20.7013 k = 0.0000 0.0000 0.8091 ( 3517 PWs) bands (ev): -86.2880 -86.2880 7.1802 7.1802 8.1729 8.1729 8.4721 8.4721 8.8030 8.8030 9.2436 9.2436 9.8486 9.8486 10.2281 10.2281 10.8721 10.8721 11.1728 11.1728 11.5177 11.5177 11.9150 11.9150 16.9289 16.9289 18.2136 18.2136 18.6306 18.6306 19.4240 19.4240 20.5638 20.5638 k = 0.0000 0.0000 0.8260 ( 3511 PWs) bands (ev): -86.2880 -86.2880 7.2170 7.2170 8.1524 8.1524 8.4412 8.4412 8.7935 8.7935 9.2415 9.2415 9.8484 9.8484 10.2867 10.2867 10.9274 10.9274 11.2247 11.2247 11.5625 11.5625 11.9539 11.9539 17.0230 17.0230 18.3331 18.3331 18.5693 18.5693 19.3977 19.3977 20.4248 20.4248 k = 0.0000 0.0000 0.8428 ( 3507 PWs) bands (ev): -86.2879 -86.2879 7.2481 7.2481 8.1316 8.1316 8.4091 8.4091 8.7842 8.7842 9.2369 9.2369 9.8533 9.8533 10.3465 10.3465 10.9863 10.9863 11.2785 11.2785 11.6104 11.6104 11.9933 11.9933 17.1194 17.1194 18.4234 18.4234 18.5288 18.5288 19.3758 19.3758 20.2908 20.2908 k = 0.0000 0.0000 0.8597 ( 3511 PWs) bands (ev): -86.2879 -86.2879 7.2741 7.2741 8.1102 8.1102 8.3760 8.3760 8.7750 8.7750 9.2298 9.2298 9.8627 9.8627 10.4079 10.4079 11.0481 11.0481 11.3341 11.3341 11.6610 11.6610 12.0331 12.0331 17.2178 17.2178 18.4120 18.4120 18.5777 18.5777 19.3589 19.3589 20.1660 20.1660 k = 0.0000 0.0000 0.8766 ( 3515 PWs) bands (ev): -86.2879 -86.2879 7.2954 7.2954 8.0880 8.0880 8.3424 8.3424 8.7660 8.7660 9.2204 9.2204 9.8758 9.8758 10.4711 10.4711 11.1123 11.1123 11.3921 11.3921 11.7139 11.7139 12.0731 12.0731 17.3178 17.3178 18.3574 18.3574 18.6533 18.6533 19.3459 19.3459 20.0565 20.0565 k = 0.0000 0.0000 0.8934 ( 3515 PWs) bands (ev): -86.2879 -86.2879 7.3125 7.3125 8.0649 8.0649 8.3085 8.3085 8.7571 8.7571 9.2091 9.2091 9.8916 9.8916 10.5361 10.5361 11.1783 11.1783 11.4529 11.4529 11.7688 11.7688 12.1131 12.1131 17.4185 17.4185 18.2990 18.2990 18.7120 18.7120 19.3317 19.3317 19.9718 19.9718 k = 0.0000 0.0000 0.9103 ( 3513 PWs) bands (ev): -86.2879 -86.2879 7.3262 7.3262 8.0408 8.0408 8.2746 8.2746 8.7485 8.7485 9.1962 9.1962 9.9093 9.9093 10.6026 10.6026 11.2457 11.2457 11.5169 11.5169 11.8254 11.8254 12.1532 12.1532 17.5189 17.5189 18.2416 18.2416 18.7478 18.7478 19.3057 19.3057 19.9241 19.9241 k = 0.0000 0.0000 0.9271 ( 3509 PWs) bands (ev): -86.2879 -86.2879 7.3369 7.3369 8.0158 8.0158 8.2409 8.2409 8.7401 8.7401 9.1822 9.1822 9.9279 9.9279 10.6700 10.6700 11.3138 11.3138 11.5847 11.5847 11.8833 11.8833 12.1930 12.1930 17.6167 17.6167 18.1871 18.1871 18.7617 18.7617 19.2581 19.2581 19.9217 19.9217 k = 0.0000 0.0000 0.9440 ( 3505 PWs) bands (ev): -86.2879 -86.2879 7.3452 7.3452 7.9899 7.9899 8.2075 8.2075 8.7319 8.7319 9.1676 9.1676 9.9469 9.9469 10.7375 10.7375 11.3823 11.3823 11.6567 11.6567 11.9424 11.9424 12.2326 12.2326 17.7079 17.7079 18.1378 18.1378 18.7582 18.7582 19.1888 19.1888 19.9595 19.9595 k = 0.0000 0.0000 0.9608 ( 3507 PWs) bands (ev): -86.2879 -86.2879 7.3516 7.3516 7.9632 7.9632 8.1748 8.1748 8.7238 8.7238 9.1525 9.1525 9.9656 9.9656 10.8043 10.8043 11.4505 11.4505 11.7331 11.7331 12.0027 12.0027 12.2717 12.2717 17.7846 17.7846 18.0987 18.0987 18.7435 18.7435 19.1064 19.1064 20.0233 20.0233 k = 0.0000 0.0000 0.9777 ( 3495 PWs) bands (ev): -86.2879 -86.2879 7.3566 7.3566 7.9360 7.9360 8.1428 8.1428 8.7160 8.7160 9.1375 9.1375 9.9838 9.9838 10.8693 10.8693 11.5181 11.5181 11.8136 11.8136 12.0645 12.0645 12.3103 12.3103 17.8323 17.8323 18.0785 18.0785 18.7251 18.7251 19.0195 19.0195 20.0978 20.0978 k = 0.0000 0.0000 0.9946 ( 3492 PWs) bands (ev): -86.2879 -86.2879 7.3604 7.3604 7.9084 7.9084 8.1117 8.1117 8.7084 8.7084 9.1225 9.1225 10.0011 10.0011 10.9317 10.9317 11.5845 11.5845 11.8976 11.8976 12.1285 12.1285 12.3483 12.3483 17.8395 17.8395 18.0805 18.0805 18.7116 18.7116 18.9352 18.9352 20.1692 20.1692 k = 0.0000 0.0000 1.0114 ( 3488 PWs) bands (ev): -86.2879 -86.2879 7.3636 7.3636 7.8806 7.8806 8.0817 8.0817 8.7011 8.7011 9.1080 9.1080 10.0176 10.0176 10.9908 10.9908 11.6493 11.6493 11.9834 11.9834 12.1958 12.1958 12.3857 12.3857 17.8163 17.8163 18.0845 18.0845 18.7057 18.7057 18.8646 18.8646 20.2237 20.2237 k = 0.0000 0.0000 1.0283 ( 3496 PWs) bands (ev): -86.2879 -86.2879 7.3663 7.3663 7.8528 7.8528 8.0528 8.0528 8.6940 8.6940 9.0939 9.0939 10.0330 10.0330 11.0462 11.0462 11.7118 11.7118 12.0686 12.0686 12.2682 12.2682 12.4224 12.4224 17.7794 17.7794 18.0681 18.0681 18.6807 18.6807 18.8425 18.8425 20.2478 20.2478 k = 0.0000 0.0000 1.0451 ( 3490 PWs) bands (ev): -86.2879 -86.2879 7.3687 7.3687 7.8253 7.8253 8.0252 8.0252 8.6871 8.6871 9.0804 9.0804 10.0473 10.0473 11.0975 11.0975 11.7715 11.7715 12.1501 12.1501 12.3478 12.3478 12.4588 12.4588 17.7376 17.7376 18.0261 18.0261 18.6138 18.6138 18.8892 18.8892 20.2338 20.2338 k = 0.0000 0.0000 1.0620 ( 3498 PWs) bands (ev): -86.2879 -86.2879 7.3712 7.3712 7.7981 7.7981 7.9989 7.9989 8.6806 8.6806 9.0677 9.0677 10.0606 10.0606 11.1447 11.1447 11.8277 11.8277 12.2253 12.2253 12.4339 12.4339 12.4969 12.4969 17.6945 17.6945 17.9646 17.9646 18.5284 18.5284 18.9723 18.9723 20.1871 20.1871 k = 0.0000 0.0000 1.0788 ( 3498 PWs) bands (ev): -86.2879 -86.2879 7.3738 7.3738 7.7716 7.7716 7.9742 7.9742 8.6745 8.6745 9.0557 9.0557 10.0728 10.0728 11.1878 11.1878 11.8801 11.8801 12.2936 12.2936 12.5075 12.5075 12.5548 12.5548 17.6516 17.6516 17.8914 17.8914 18.4354 18.4354 19.0721 19.0721 20.1221 20.1221 k = 0.0000 0.0000 1.0957 ( 3502 PWs) bands (ev): -86.2879 -86.2879 7.3767 7.3767 7.7458 7.7458 7.9510 7.9510 8.6687 8.6687 9.0446 9.0446 10.0840 10.0840 11.2269 11.2269 11.9281 11.9281 12.3558 12.3558 12.5477 12.5477 12.6510 12.6510 17.6093 17.6093 17.8128 17.8128 18.3376 18.3376 19.1795 19.1795 20.0516 20.0516 k = 0.0000 0.0000 1.1125 ( 3498 PWs) bands (ev): -86.2879 -86.2879 7.3799 7.3799 7.7210 7.7210 7.9295 7.9295 8.6633 8.6633 9.0343 9.0343 10.0942 10.0942 11.2622 11.2622 11.9716 11.9716 12.4131 12.4131 12.5791 12.5791 12.7578 12.7578 17.5671 17.5671 17.7340 17.7340 18.2370 18.2370 19.2885 19.2885 19.9833 19.9833 k = 0.0000 0.0000 1.1294 ( 3502 PWs) bands (ev): -86.2879 -86.2879 7.3836 7.3836 7.6972 7.6972 7.9097 7.9097 8.6583 8.6583 9.0249 9.0249 10.1033 10.1033 11.2939 11.2939 12.0104 12.0104 12.4661 12.4661 12.6075 12.6075 12.8664 12.8664 17.5235 17.5235 17.6597 17.6597 18.1355 18.1355 19.3946 19.3946 19.9217 19.9217 k = 0.0000 0.0000 1.1463 ( 3506 PWs) bands (ev): -86.2879 -86.2879 7.3877 7.3877 7.6747 7.6747 7.8918 7.8918 8.6538 8.6538 9.0165 9.0165 10.1115 10.1115 11.3219 11.3219 12.0445 12.0445 12.5150 12.5150 12.6333 12.6333 12.9738 12.9738 17.4752 17.4752 17.5957 17.5957 18.0352 18.0352 19.4933 19.4933 19.8692 19.8692 k = 0.0000 0.0000 1.1631 ( 3506 PWs) bands (ev): -86.2879 -86.2879 7.3923 7.3923 7.6537 7.6537 7.8758 7.8758 8.6498 8.6498 9.0090 9.0090 10.1186 10.1186 11.3465 11.3465 12.0740 12.0740 12.5597 12.5597 12.6566 12.6566 13.0771 13.0771 17.4195 17.4195 17.5465 17.5465 17.9386 17.9386 19.5795 19.5795 19.8285 19.8285 k = 0.0000 0.0000 1.1800 ( 3506 PWs) bands (ev): -86.2879 -86.2879 7.3972 7.3972 7.6342 7.6342 7.8618 7.8618 8.6462 8.6462 9.0025 9.0025 10.1248 10.1248 11.3677 11.3677 12.0990 12.0990 12.6000 12.6000 12.6771 12.6771 13.1739 13.1739 17.3589 17.3589 17.5115 17.5115 17.8482 17.8482 19.6443 19.6443 19.8059 19.8059 k = 0.0000 0.0000 1.1968 ( 3510 PWs) bands (ev): -86.2879 -86.2879 7.4022 7.4022 7.6166 7.6166 7.8498 7.8498 8.6432 8.6432 8.9969 8.9969 10.1300 10.1300 11.3855 11.3855 12.1197 12.1197 12.6354 12.6354 12.6947 12.6947 13.2617 13.2617 17.2991 17.2991 17.4872 17.4872 17.7661 17.7661 19.6735 19.6735 19.8133 19.8133 k = 0.0000 0.0000 1.2137 ( 3508 PWs) bands (ev): -86.2879 -86.2879 7.4073 7.4073 7.6012 7.6012 7.8400 7.8400 8.6407 8.6407 8.9924 8.9924 10.1343 10.1343 11.4001 11.4001 12.1364 12.1364 12.6654 12.6654 12.7092 12.7092 13.3381 13.3381 17.2444 17.2444 17.4710 17.4710 17.6942 17.6942 19.6721 19.6721 19.8446 19.8446 k = 0.0000 0.0000 1.2305 ( 3516 PWs) bands (ev): -86.2879 -86.2879 7.4120 7.4120 7.5884 7.5884 7.8322 7.8322 8.6387 8.6387 8.9889 8.9889 10.1376 10.1376 11.4115 11.4115 12.1491 12.1491 12.6898 12.6898 12.7202 12.7202 13.4006 13.4006 17.1982 17.1982 17.4619 17.4619 17.6340 17.6340 19.6618 19.6618 19.8779 19.8779 k = 0.0000 0.0000 1.2474 ( 3516 PWs) bands (ev): -86.2879 -86.2879 7.4159 7.4159 7.5787 7.5787 7.8267 7.8267 8.6373 8.6373 8.9863 8.9863 10.1400 10.1400 11.4196 11.4196 12.1581 12.1581 12.7082 12.7082 12.7274 12.7274 13.4471 13.4471 17.1632 17.1632 17.4590 17.4590 17.5869 17.5869 19.6521 19.6521 19.9035 19.9035 k = 0.0000 0.0000 1.2643 ( 3528 PWs) bands (ev): -86.2879 -86.2879 7.4185 7.4185 7.5726 7.5726 7.8234 7.8234 8.6365 8.6365 8.9848 8.9848 10.1414 10.1414 11.4244 11.4244 12.1634 12.1634 12.7206 12.7206 12.7306 12.7306 13.4758 13.4758 17.1412 17.1412 17.4606 17.4606 17.5551 17.5551 19.6457 19.6457 19.9191 19.9191 k = 0.0000 0.0000 1.2811 ( 3528 PWs) bands (ev): -86.2879 -86.2879 7.4195 7.4195 7.5705 7.5705 7.8223 7.8223 8.6362 8.6362 8.9843 8.9843 10.1419 10.1419 11.4260 11.4260 12.1652 12.1652 12.7259 12.7259 12.7306 12.7306 13.4855 13.4855 17.1338 17.1338 17.4623 17.4623 17.5433 17.5433 19.6435 19.6435 19.9244 19.9244 k = 0.0000 0.0000 1.2811 ( 3528 PWs) bands (ev): -86.2879 -86.2879 7.4195 7.4195 7.5705 7.5705 7.8223 7.8223 8.6362 8.6362 8.9843 8.9843 10.1419 10.1419 11.4260 11.4260 12.1652 12.1652 12.7259 12.7259 12.7306 12.7306 13.4855 13.4855 17.1338 17.1338 17.4623 17.4623 17.5433 17.5433 19.6435 19.6435 19.9244 19.9244 k =-0.0064 0.0151 1.2811 ( 3528 PWs) bands (ev): -86.2879 -86.2879 7.4206 7.4206 7.5712 7.5712 7.8230 7.8230 8.6360 8.6360 8.9828 8.9828 10.1425 10.1425 11.4254 11.4254 12.1639 12.1639 12.7165 12.7165 12.7248 12.7248 13.5008 13.5008 17.0752 17.0752 17.4329 17.4329 17.6069 17.6069 19.6421 19.6421 19.9471 19.9471 k =-0.0128 0.0303 1.2811 ( 3520 PWs) bands (ev): -86.2879 -86.2879 7.4239 7.4239 7.5732 7.5732 7.8254 7.8254 8.6356 8.6356 8.9786 8.9786 10.1445 10.1445 11.4233 11.4233 12.1599 12.1599 12.6804 12.6804 12.7188 12.7188 13.5437 13.5437 16.9472 16.9472 17.3644 17.3644 17.7325 17.7325 19.6402 19.6402 20.0106 20.0106 k =-0.0193 0.0454 1.2811 ( 3514 PWs) bands (ev): -86.2879 -86.2879 7.4294 7.4294 7.5766 7.5766 7.8292 7.8292 8.6348 8.6348 8.9715 8.9715 10.1476 10.1476 11.4198 11.4198 12.1529 12.1529 12.6277 12.6277 12.7091 12.7091 13.6076 13.6076 16.7953 16.7953 17.2618 17.2618 17.8752 17.8752 19.6412 19.6412 20.1049 20.1049 k =-0.0257 0.0606 1.2811 ( 3514 PWs) bands (ev): -86.2879 -86.2879 7.4371 7.4371 7.5813 7.5813 7.8346 7.8346 8.6336 8.6336 8.9621 8.9621 10.1518 10.1518 11.4147 11.4147 12.1422 12.1422 12.5660 12.5660 12.6958 12.6958 13.6862 13.6862 16.6344 16.6344 17.1310 17.1310 18.0219 18.0219 19.6468 19.6468 20.2200 20.2200 k =-0.0321 0.0757 1.2811 ( 3516 PWs) bands (ev): -86.2879 -86.2879 7.4470 7.4470 7.5873 7.5873 7.8414 7.8414 8.6318 8.6318 8.9505 8.9505 10.1569 10.1569 11.4079 11.4079 12.1264 12.1264 12.5012 12.5012 12.6788 12.6788 13.7747 13.7747 16.4694 16.4694 16.9786 16.9786 18.1675 18.1675 19.6573 19.6573 20.3472 20.3472 k =-0.0385 0.0908 1.2811 ( 3520 PWs) bands (ev): -86.2879 -86.2879 7.4590 7.4590 7.5947 7.5947 7.8496 7.8496 8.6293 8.6293 8.9371 8.9371 10.1628 10.1628 11.3989 11.3989 12.1042 12.1042 12.4384 12.4384 12.6583 12.6583 13.8699 13.8699 16.3025 16.3025 16.8106 16.8106 18.3096 18.3096 19.6729 19.6729 20.4797 20.4797 k =-0.0449 0.1060 1.2811 ( 3512 PWs) bands (ev): -86.2879 -86.2879 7.4731 7.4731 7.6033 7.6033 7.8591 7.8591 8.6259 8.6259 8.9225 8.9225 10.1691 10.1691 11.3874 11.3874 12.0734 12.0734 12.3818 12.3818 12.6344 12.6344 13.9698 13.9698 16.1349 16.1349 16.6317 16.6317 18.4463 18.4463 19.6939 19.6939 20.6119 20.6119 k =-0.0449 0.1060 1.2811 ( 3512 PWs) bands (ev): -86.2879 -86.2879 7.4731 7.4731 7.6033 7.6033 7.8591 7.8591 8.6259 8.6259 8.9225 8.9225 10.1691 10.1691 11.3874 11.3874 12.0734 12.0734 12.3818 12.3818 12.6344 12.6344 13.9698 13.9698 16.1349 16.1349 16.6317 16.6317 18.4463 18.4463 19.6939 19.6939 20.6119 20.6119 k =-0.0496 0.1169 1.2692 ( 3520 PWs) bands (ev): -86.2879 -86.2879 7.4841 7.4841 7.6114 7.6114 7.8673 7.8673 8.6228 8.6228 8.9118 8.9118 10.1735 10.1735 11.3765 11.3765 12.0434 12.0434 12.3452 12.3452 12.6141 12.6141 14.0398 14.0398 16.0162 16.0162 16.5000 16.5000 18.5449 18.5449 19.7133 19.7133 20.6958 20.6958 k =-0.0542 0.1279 1.2573 ( 3520 PWs) bands (ev): -86.2879 -86.2879 7.4949 7.4949 7.6222 7.6222 7.8773 7.8773 8.6193 8.6193 8.9017 8.9017 10.1775 10.1775 11.3619 11.3619 12.0048 12.0048 12.3116 12.3116 12.5907 12.5907 14.1022 14.1022 15.9029 15.9029 16.3704 16.3704 18.6477 18.6477 19.7371 19.7371 20.7528 20.7528 k =-0.0589 0.1388 1.2454 ( 3515 PWs) bands (ev): -86.2879 -86.2879 7.5057 7.5057 7.6356 7.6356 7.8889 7.8889 8.6152 8.6152 8.8923 8.8923 10.1809 10.1809 11.3434 11.3434 11.9581 11.9581 12.2802 12.2802 12.5654 12.5654 14.1569 14.1569 15.7948 15.7948 16.2436 16.2436 18.7547 18.7547 19.7650 19.7650 20.7778 20.7778 k =-0.0635 0.1498 1.2335 ( 3515 PWs) bands (ev): -86.2879 -86.2879 7.5166 7.5166 7.6512 7.6512 7.9021 7.9021 8.6106 8.6106 8.8840 8.8840 10.1836 10.1836 11.3203 11.3203 11.9049 11.9049 12.2494 12.2494 12.5395 12.5395 14.2035 14.2035 15.6917 15.6917 16.1204 16.1204 18.8658 18.8658 19.7969 19.7969 20.7718 20.7718 k =-0.0681 0.1607 1.2216 ( 3513 PWs) bands (ev): -86.2879 -86.2879 7.5276 7.5276 7.6686 7.6686 7.9170 7.9170 8.6053 8.6053 8.8771 8.8771 10.1853 10.1853 11.2922 11.2922 11.8470 11.8470 12.2171 12.2171 12.5147 12.5147 14.2421 14.2421 15.5930 15.5930 16.0011 16.0011 18.9810 18.9810 19.8323 19.8323 20.7411 20.7411 k =-0.0728 0.1717 1.2097 ( 3511 PWs) bands (ev): -86.2879 -86.2879 7.5389 7.5389 7.6873 7.6873 7.9335 7.9335 8.5996 8.5996 8.8716 8.8716 10.1860 10.1860 11.2584 11.2584 11.7862 11.7862 12.1820 12.1820 12.4921 12.4921 14.2728 14.2728 15.4985 15.4985 15.8859 15.8859 19.1000 19.1000 19.8709 19.8709 20.6936 20.6936 k =-0.0774 0.1827 1.1978 ( 3513 PWs) bands (ev): -86.2879 -86.2879 7.5508 7.5508 7.7068 7.7068 7.9516 7.9516 8.5936 8.5936 8.8677 8.8677 10.1855 10.1855 11.2185 11.2185 11.7242 11.7242 12.1431 12.1431 12.4728 12.4728 14.2957 14.2957 15.4076 15.4076 15.7752 15.7752 19.2223 19.2223 19.9122 19.9122 20.6359 20.6359 k =-0.0821 0.1936 1.1859 ( 3513 PWs) bands (ev): -86.2879 -86.2879 7.5631 7.5631 7.7264 7.7264 7.9715 7.9715 8.5876 8.5876 8.8656 8.8656 10.1835 10.1835 11.1720 11.1720 11.6620 11.6620 12.1007 12.1007 12.4568 12.4568 14.3114 14.3114 15.3197 15.3197 15.6689 15.6689 19.3473 19.3473 19.9555 19.9555 20.5730 20.5730 k =-0.0867 0.2046 1.1740 ( 3510 PWs) bands (ev): -86.2879 -86.2879 7.5760 7.5760 7.7455 7.7455 7.9930 7.9930 8.5821 8.5821 8.8651 8.8651 10.1800 10.1800 11.1189 11.1189 11.6004 11.6004 12.0558 12.0558 12.4441 12.4441 14.3200 14.3200 15.2343 15.2343 15.5671 15.5671 19.4740 19.4740 19.9999 19.9999 20.5093 20.5093 k =-0.0914 0.2155 1.1621 ( 3510 PWs) bands (ev): -86.2879 -86.2879 7.5894 7.5894 7.7635 7.7635 8.0165 8.0165 8.5773 8.5773 8.8663 8.8663 10.1745 10.1745 11.0595 11.0595 11.5396 11.5396 12.0095 12.0095 12.4341 12.4341 14.3222 14.3222 15.1509 15.1509 15.4697 15.4697 19.6007 19.6007 20.0440 20.0440 20.4488 20.4488 k =-0.0960 0.2265 1.1502 ( 3498 PWs) bands (ev): -86.2879 -86.2879 7.6031 7.6031 7.7798 7.7798 8.0419 8.0419 8.5739 8.5739 8.8691 8.8691 10.1669 10.1669 10.9947 10.9947 11.4794 11.4794 11.9633 11.9633 12.4262 12.4262 14.3183 14.3183 15.0689 15.0689 15.3764 15.3764 19.7244 19.7244 20.0854 20.0854 20.3973 20.3973 k =-0.1006 0.2374 1.1383 ( 3498 PWs) bands (ev): -86.2879 -86.2879 7.6170 7.6170 7.7939 7.7939 8.0694 8.0694 8.5722 8.5722 8.8735 8.8735 10.1568 10.1568 10.9256 10.9256 11.4193 11.4193 11.9187 11.9187 12.4199 12.4199 14.3087 14.3087 14.9880 14.9880 15.2871 15.2871 19.8371 19.8371 20.1226 20.1226 20.3641 20.3641 k =-0.1053 0.2484 1.1264 ( 3502 PWs) bands (ev): -86.2879 -86.2879 7.6308 7.6308 7.8053 7.8053 8.0990 8.0990 8.5727 8.5727 8.8794 8.8794 10.1440 10.1440 10.8533 10.8533 11.3591 11.3591 11.8765 11.8765 12.4147 12.4147 14.2938 14.2938 14.9082 14.9082 15.2013 15.2013 19.9185 19.9185 20.1650 20.1650 20.3593 20.3593 k =-0.1099 0.2593 1.1145 ( 3506 PWs) bands (ev): -86.2879 -86.2879 7.6439 7.6439 7.8142 7.8142 8.1308 8.1308 8.5755 8.5755 8.8869 8.8869 10.1281 10.1281 10.7792 10.7792 11.2987 11.2987 11.8377 11.8377 12.4102 12.4102 14.2738 14.2738 14.8293 14.8293 15.1187 15.1187 19.9419 19.9419 20.2376 20.2376 20.3843 20.3843 k =-0.1146 0.2703 1.1026 ( 3508 PWs) bands (ev): -86.2879 -86.2879 7.6556 7.6556 7.8209 7.8209 8.1644 8.1644 8.5806 8.5806 8.8961 8.8961 10.1089 10.1089 10.7045 10.7045 11.2383 11.2383 11.8024 11.8024 12.4063 12.4063 14.2488 14.2488 14.7517 14.7517 15.0390 15.0390 19.9181 19.9181 20.3334 20.3334 20.4338 20.4338 k =-0.1192 0.2812 1.0907 ( 3502 PWs) bands (ev): -86.2879 -86.2879 7.6648 7.6648 7.8264 7.8264 8.1998 8.1998 8.5881 8.5881 8.9069 8.9069 10.0861 10.0861 10.6302 10.6302 11.1783 11.1783 11.7709 11.7709 12.4025 12.4025 14.2187 14.2187 14.6757 14.6757 14.9616 14.9616 19.8734 19.8734 20.4190 20.4190 20.5142 20.5142 k =-0.1239 0.2922 1.0788 ( 3506 PWs) bands (ev): -86.2879 -86.2879 7.6702 7.6702 7.8319 7.8319 8.2364 8.2364 8.5975 8.5975 8.9197 8.9197 10.0596 10.0596 10.5572 10.5572 11.1197 11.1197 11.7430 11.7430 12.3988 12.3988 14.1833 14.1833 14.6017 14.6017 14.8865 14.8865 19.8208 19.8208 20.4826 20.4826 20.6231 20.6231 k =-0.1285 0.3032 1.0670 ( 3502 PWs) bands (ev): -86.2879 -86.2879 7.6704 7.6704 7.8391 7.8391 8.2740 8.2740 8.6085 8.6085 8.9345 8.9345 10.0296 10.0296 10.4863 10.4863 11.0630 11.0630 11.7185 11.7185 12.3949 12.3949 14.1419 14.1419 14.5305 14.5305 14.8133 14.8133 19.7653 19.7653 20.5369 20.5369 20.7417 20.7417 k =-0.1332 0.3141 1.0551 ( 3498 PWs) bands (ev): -86.2879 -86.2879 7.6646 7.6646 7.8490 7.8490 8.3119 8.3119 8.6206 8.6206 8.9517 8.9517 9.9964 9.9964 10.4179 10.4179 11.0090 11.0090 11.6971 11.6971 12.3907 12.3907 14.0943 14.0943 14.4625 14.4625 14.7421 14.7421 19.7094 19.7094 20.5872 20.5872 20.8617 20.8617 k =-0.1378 0.3251 1.0432 ( 3496 PWs) bands (ev): -86.2879 -86.2879 7.6526 7.6526 7.8620 7.8620 8.3494 8.3494 8.6332 8.6332 8.9712 8.9712 9.9607 9.9607 10.3524 10.3524 10.9585 10.9585 11.6786 11.6786 12.3862 12.3862 14.0399 14.0399 14.3980 14.3980 14.6730 14.6730 19.6542 19.6542 20.6342 20.6342 20.9806 20.9806 k =-0.1424 0.3360 1.0313 ( 3490 PWs) bands (ev): -86.2879 -86.2879 7.6353 7.6353 7.8778 7.8778 8.3855 8.3855 8.6463 8.6463 8.9933 8.9933 9.9236 9.9236 10.2900 10.2900 10.9116 10.9116 11.6626 11.6626 12.3812 12.3812 13.9789 13.9789 14.3368 14.3368 14.6064 14.6064 19.6003 19.6003 20.6779 20.6779 21.0973 21.0973 k =-0.1471 0.3470 1.0194 ( 3492 PWs) bands (ev): -86.2879 -86.2879 7.6133 7.6133 7.8957 7.8957 8.4193 8.4193 8.6598 8.6598 9.0177 9.0177 9.8865 9.8865 10.2308 10.2308 10.8687 10.8687 11.6490 11.6490 12.3755 12.3755 13.9117 13.9117 14.2779 14.2779 14.5428 14.5428 19.5482 19.5482 20.7181 20.7181 21.2119 21.2119 k =-0.1517 0.3579 1.0075 ( 3492 PWs) bands (ev): -86.2879 -86.2879 7.5876 7.5876 7.9151 7.9151 8.4492 8.4492 8.6739 8.6739 9.0442 9.0442 9.8509 9.8509 10.1751 10.1751 10.8297 10.8297 11.6376 11.6376 12.3692 12.3692 13.8390 13.8390 14.2204 14.2204 14.4828 14.4828 19.4980 19.4980 20.7546 20.7546 21.3243 21.3243 k =-0.1564 0.3689 0.9956 ( 3492 PWs) bands (ev): -86.2880 -86.2880 7.5590 7.5590 7.9356 7.9356 8.4737 8.4737 8.6894 8.6894 9.0722 9.0722 9.8185 9.8185 10.1231 10.1231 10.7943 10.7943 11.6282 11.6282 12.3621 12.3621 13.7617 13.7617 14.1628 14.1628 14.4270 14.4270 19.4499 19.4499 20.7873 20.7873 21.4350 21.4350 k =-0.1610 0.3798 0.9837 ( 3493 PWs) bands (ev): -86.2880 -86.2880 7.5281 7.5281 7.9566 7.9566 8.4914 8.4914 8.7065 8.7065 9.1012 9.1012 9.7910 9.7910 10.0754 10.0754 10.7623 10.7623 11.6205 11.6205 12.3541 12.3541 13.6807 13.6807 14.1040 14.1040 14.3759 14.3759 19.4039 19.4039 20.8163 20.8163 21.5443 21.5443 k =-0.1657 0.3908 0.9718 ( 3489 PWs) bands (ev): -86.2880 -86.2880 7.4954 7.4954 7.9779 7.9779 8.5017 8.5017 8.7251 8.7251 9.1304 9.1304 9.7700 9.7700 10.0326 10.0326 10.7334 10.7334 11.6145 11.6145 12.3452 12.3452 13.5967 13.5967 14.0435 14.0435 14.3296 14.3296 19.3601 19.3601 20.8419 20.8419 21.6525 21.6525 k =-0.1703 0.4017 0.9599 ( 3485 PWs) bands (ev): -86.2880 -86.2880 7.4614 7.4614 7.9992 7.9992 8.5046 8.5046 8.7441 8.7441 9.1592 9.1592 9.7567 9.7567 9.9955 9.9955 10.7071 10.7071 11.6099 11.6099 12.3352 12.3352 13.5103 13.5103 13.9812 13.9812 14.2879 14.2879 19.3185 19.3185 20.8641 20.8641 21.7598 21.7598 k =-0.1749 0.4127 0.9480 ( 3482 PWs) bands (ev): -86.2880 -86.2880 7.4264 7.4264 8.0201 8.0201 8.5012 8.5012 8.7620 8.7620 9.1869 9.1869 9.7517 9.7517 9.9653 9.9653 10.6831 10.6831 11.6066 11.6066 12.3241 12.3241 13.4222 13.4222 13.9174 13.9174 14.2503 14.2503 19.2790 19.2790 20.8834 20.8834 21.8666 21.8666 k =-0.1796 0.4237 0.9361 ( 3484 PWs) bands (ev): -86.2880 -86.2880 7.3908 7.3908 8.0403 8.0403 8.4923 8.4923 8.7773 8.7773 9.2134 9.2134 9.7549 9.7549 9.9433 9.9433 10.6611 10.6611 11.6044 11.6044 12.3118 12.3118 13.3326 13.3326 13.8527 13.8527 14.2164 14.2164 19.2416 19.2416 20.9000 20.9000 21.9729 21.9729 k =-0.1842 0.4346 0.9242 ( 3488 PWs) bands (ev): -86.2880 -86.2880 7.3550 7.3550 8.0595 8.0595 8.4790 8.4790 8.7888 8.7888 9.2385 9.2385 9.7647 9.7647 9.9316 9.9316 10.6409 10.6409 11.6032 11.6032 12.2981 12.2981 13.2419 13.2419 13.7876 13.7876 14.1855 14.1855 19.2064 19.2064 20.9143 20.9143 22.0787 22.0787 k =-0.1889 0.4456 0.9123 ( 3488 PWs) bands (ev): -86.2880 -86.2880 7.3192 7.3192 8.0775 8.0775 8.4625 8.4625 8.7960 8.7960 9.2622 9.2622 9.7785 9.7785 9.9326 9.9326 10.6223 10.6223 11.6027 11.6027 12.2831 12.2831 13.1504 13.1504 13.7229 13.7229 14.1573 14.1573 19.1732 19.1732 20.9264 20.9264 22.1839 22.1839 k =-0.1935 0.4565 0.9004 ( 3488 PWs) bands (ev): -86.2880 -86.2880 7.2838 7.2838 8.0939 8.0939 8.4436 8.4436 8.7991 8.7991 9.2841 9.2841 9.7942 9.7942 9.9480 9.9480 10.6052 10.6052 11.6027 11.6027 12.2667 12.2667 13.0584 13.0584 13.6590 13.6590 14.1313 14.1313 19.1421 19.1421 20.9367 20.9367 22.2885 22.2885 k =-0.1982 0.4675 0.8885 ( 3496 PWs) bands (ev): -86.2880 -86.2880 7.2489 7.2489 8.1082 8.1082 8.4233 8.4233 8.7986 8.7986 9.3040 9.3040 9.8111 9.8111 9.9774 9.9774 10.5896 10.5896 11.6030 11.6030 12.2488 12.2488 12.9661 12.9661 13.5966 13.5966 14.1074 14.1074 19.1130 19.1130 20.9455 20.9455 22.3922 22.3922 k =-0.2028 0.4784 0.8766 ( 3498 PWs) bands (ev): -86.2880 -86.2880 7.2149 7.2149 8.1201 8.1201 8.4026 8.4026 8.7953 8.7953 9.3212 9.3212 9.8306 9.8306 10.0180 10.0180 10.5755 10.5755 11.6033 11.6033 12.2294 12.2294 12.8738 12.8738 13.5361 13.5361 14.0853 14.0853 19.0859 19.0859 20.9529 20.9529 22.4946 22.4947 k =-0.2075 0.4894 0.8647 ( 3500 PWs) bands (ev): -86.2880 -86.2880 7.1820 7.1820 8.1290 8.1290 8.3824 8.3824 8.7901 8.7901 9.3357 9.3357 9.8543 9.8543 10.0667 10.0667 10.5631 10.5631 11.6033 11.6033 12.2084 12.2084 12.7818 12.7818 13.4781 13.4781 14.0648 14.0648 19.0607 19.0607 20.9591 20.9591 22.5956 22.5956 k =-0.2121 0.5003 0.8528 ( 3496 PWs) bands (ev): -86.2880 -86.2880 7.1503 7.1503 8.1343 8.1343 8.3639 8.3639 8.7838 8.7838 9.3472 9.3472 9.8825 9.8825 10.1211 10.1211 10.5528 10.5528 11.6027 11.6027 12.1860 12.1860 12.6906 12.6906 13.4230 13.4230 14.0459 14.0459 19.0374 19.0374 20.9644 20.9644 22.6945 22.6945 k =-0.2167 0.5113 0.8409 ( 3500 PWs) bands (ev): -86.2880 -86.2880 7.1202 7.1202 8.1357 8.1357 8.3479 8.3479 8.7773 8.7773 9.3560 9.3560 9.9151 9.9151 10.1788 10.1788 10.5450 10.5450 11.6012 11.6012 12.1621 12.1621 12.6005 12.6005 13.3712 13.3712 14.0286 14.0286 19.0160 19.0160 20.9688 20.9688 22.7910 22.7910 k =-0.2214 0.5222 0.8290 ( 3493 PWs) bands (ev): -86.2880 -86.2880 7.0917 7.0917 8.1329 8.1329 8.3349 8.3349 8.7709 8.7709 9.3626 9.3626 9.9511 9.9511 10.2378 10.2378 10.5409 10.5409 11.5986 11.5986 12.1367 12.1367 12.5122 12.5122 13.3229 13.3229 14.0126 14.0126 18.9964 18.9964 20.9725 20.9725 22.8844 22.8844 k =-0.2260 0.5332 0.8171 ( 3491 PWs) bands (ev): -86.2880 -86.2880 7.0652 7.0652 8.1264 8.1264 8.3252 8.3252 8.7651 8.7651 9.3673 9.3673 9.9893 9.9893 10.2956 10.2956 10.5421 10.5421 11.5945 11.5945 12.1097 12.1097 12.4267 12.4267 13.2786 13.2786 13.9981 13.9981 18.9786 18.9786 20.9755 20.9755 22.9740 22.9740 k =-0.2307 0.5442 0.8052 ( 3487 PWs) bands (ev): -86.2880 -86.2880 7.0406 7.0406 8.1168 8.1168 8.3184 8.3184 8.7601 8.7601 9.3708 9.3708 10.0281 10.0281 10.3483 10.3483 10.5518 10.5518 11.5888 11.5888 12.0803 12.0803 12.3454 12.3454 13.2383 13.2383 13.9850 13.9850 18.9625 18.9625 20.9781 20.9781 23.0591 23.0591 k =-0.2353 0.5551 0.7933 ( 3486 PWs) bands (ev): -86.2880 -86.2880 7.0183 7.0183 8.1053 8.1053 8.3138 8.3138 8.7559 8.7559 9.3732 9.3732 10.0663 10.0663 10.3909 10.3909 10.5744 10.5744 11.5814 11.5814 12.0473 12.0473 12.2708 12.2708 13.2023 13.2023 13.9732 13.9732 18.9483 18.9483 20.9801 20.9801 23.1389 23.1390 k =-0.2400 0.5661 0.7814 ( 3490 PWs) bands (ev): -86.2880 -86.2880 6.9983 6.9983 8.0929 8.0929 8.3108 8.3108 8.7526 8.7526 9.3749 9.3749 10.1023 10.1023 10.4207 10.4207 10.6119 10.6119 11.5724 11.5724 12.0084 12.0084 12.2063 12.2063 13.1705 13.1705 13.9628 13.9628 18.9357 18.9357 20.9818 20.9818 23.2126 23.2126 k =-0.2446 0.5770 0.7695 ( 3492 PWs) bands (ev): -86.2880 -86.2880 6.9807 6.9807 8.0807 8.0807 8.3088 8.3088 8.7502 8.7502 9.3762 9.3762 10.1347 10.1347 10.4404 10.4404 10.6608 10.6608 11.5623 11.5623 11.9616 11.9616 12.1552 12.1552 13.1431 13.1431 13.9538 13.9538 18.9249 18.9249 20.9832 20.9832 23.2792 23.2792 k =-0.2492 0.5880 0.7576 ( 3500 PWs) bands (ev): -86.2880 -86.2880 6.9656 6.9656 8.0692 8.0692 8.3074 8.3074 8.7484 8.7484 9.3771 9.3771 10.1625 10.1625 10.4547 10.4547 10.7146 10.7146 11.5517 11.5517 11.9080 11.9080 12.1181 12.1181 13.1201 13.1201 13.9461 13.9461 18.9157 18.9157 20.9843 20.9843 23.3376 23.3376 k =-0.2539 0.5989 0.7457 ( 3500 PWs) bands (ev): -86.2880 -86.2880 6.9532 6.9532 8.0593 8.0593 8.3065 8.3065 8.7472 8.7472 9.3778 9.3778 10.1850 10.1850 10.4667 10.4667 10.7678 10.7678 11.5416 11.5416 11.8520 11.8520 12.0923 12.0923 13.1013 13.1013 13.9399 13.9399 18.9082 18.9082 20.9852 20.9852 23.3871 23.3871 k =-0.2585 0.6099 0.7338 ( 3496 PWs) bands (ev): -86.2880 -86.2880 6.9435 6.9435 8.0511 8.0511 8.3058 8.3058 8.7464 8.7464 9.3783 9.3783 10.2020 10.2020 10.4772 10.4772 10.8159 10.8159 11.5330 11.5330 11.7993 11.7993 12.0749 12.0749 13.0868 13.0868 13.9350 13.9350 18.9024 18.9024 20.9858 20.9858 23.4267 23.4267 k =-0.2632 0.6208 0.7219 ( 3498 PWs) bands (ev): -86.2880 -86.2880 6.9365 6.9365 8.0452 8.0452 8.3053 8.3053 8.7459 8.7459 9.3786 9.3786 10.2136 10.2136 10.4857 10.4857 10.8548 10.8548 11.5269 11.5269 11.7554 11.7554 12.0637 12.0637 13.0765 13.0765 13.9315 13.9315 18.8983 18.8983 20.9862 20.9862 23.4556 23.4556 k =-0.2678 0.6318 0.7100 ( 3496 PWs) bands (ev): -86.2880 -86.2880 6.9323 6.9323 8.0415 8.0415 8.3050 8.3050 8.7457 8.7457 9.3789 9.3789 10.2204 10.2204 10.4914 10.4914 10.8803 10.8803 11.5236 11.5236 11.7258 11.7258 12.0573 12.0573 13.0704 13.0704 13.9294 13.9294 18.8958 18.8958 20.9865 20.9865 23.4732 23.4732 k =-0.2725 0.6427 0.6981 ( 3498 PWs) bands (ev): -86.2880 -86.2880 6.9309 6.9309 8.0402 8.0402 8.3049 8.3049 8.7456 8.7456 9.3790 9.3790 10.2226 10.2226 10.4934 10.4934 10.8892 10.8892 11.5226 11.5226 11.7154 11.7154 12.0553 12.0553 13.0684 13.0684 13.9287 13.9287 18.8950 18.8950 20.9866 20.9866 23.4791 23.4791 k =-0.2725 0.6427 0.6981 ( 3498 PWs) bands (ev): -86.2880 -86.2880 6.9309 6.9309 8.0402 8.0402 8.3049 8.3049 8.7456 8.7456 9.3790 9.3790 10.2226 10.2226 10.4934 10.4934 10.8892 10.8892 11.5226 11.5226 11.7154 11.7154 12.0553 12.0553 13.0684 13.0684 13.9287 13.9287 18.8950 18.8950 20.9866 20.9866 23.4791 23.4791 k =-0.2678 0.6319 0.6863 ( 3498 PWs) bands (ev): -86.2880 -86.2880 6.9432 6.9432 8.0459 8.0459 8.2740 8.2740 8.7580 8.7580 9.3654 9.3654 10.2174 10.2174 10.4843 10.4843 10.9195 10.9195 11.5829 11.5829 11.7381 11.7381 12.0421 12.0421 13.1921 13.1921 13.8337 13.8337 18.7443 18.7443 20.8617 20.8617 23.4849 23.4849 k =-0.2632 0.6210 0.6744 ( 3492 PWs) bands (ev): -86.2880 -86.2880 6.9547 6.9547 8.0466 8.0466 8.2447 8.2447 8.7705 8.7705 9.3522 9.3522 10.2137 10.2137 10.4750 10.4750 10.9457 10.9457 11.6279 11.6279 11.7622 11.7622 12.0336 12.0336 13.3247 13.3247 13.7481 13.7481 18.5969 18.5969 20.7381 20.7381 23.4846 23.4846 k =-0.2586 0.6101 0.6626 ( 3492 PWs) bands (ev): -86.2880 -86.2880 6.9650 6.9650 8.0407 8.0407 8.2192 8.2192 8.7830 8.7830 9.3396 9.3396 10.2112 10.2112 10.4657 10.4657 10.9681 10.9681 11.6528 11.6528 11.7883 11.7883 12.0316 12.0316 13.4650 13.4650 13.6737 13.6737 18.4534 18.4534 20.6161 20.6161 23.4787 23.4787 k =-0.2540 0.5992 0.6508 ( 3496 PWs) bands (ev): -86.2880 -86.2880 6.9738 6.9738 8.0269 8.0269 8.1997 8.1997 8.7954 8.7954 9.3275 9.3275 10.2101 10.2101 10.4563 10.4563 10.9868 10.9868 11.6604 11.6604 11.8106 11.8106 12.0373 12.0373 13.6115 13.6115 13.6133 13.6133 18.3142 18.3142 20.4956 20.4956 23.4675 23.4675 k =-0.2494 0.5883 0.6389 ( 3500 PWs) bands (ev): -86.2880 -86.2880 6.9805 6.9805 8.0051 8.0051 8.1870 8.1870 8.8076 8.8076 9.3162 9.3162 10.2102 10.2102 10.4469 10.4469 11.0016 11.0016 11.6565 11.6565 11.8234 11.8234 12.0487 12.0487 13.5675 13.5675 13.7648 13.7648 18.1799 18.1799 20.3770 20.3770 23.4517 23.4517 k =-0.2448 0.5774 0.6271 ( 3500 PWs) bands (ev): -86.2880 -86.2880 6.9845 6.9845 7.9775 7.9775 8.1800 8.1800 8.8196 8.8196 9.3056 9.3056 10.2115 10.2115 10.4377 10.4377 11.0124 11.0124 11.6455 11.6455 11.8264 11.8264 12.0600 12.0600 13.5399 13.5399 13.9223 13.9223 18.0510 18.0510 20.2604 20.2604 23.4316 23.4316 k =-0.2401 0.5665 0.6153 ( 3494 PWs) bands (ev): -86.2880 -86.2880 6.9850 6.9850 7.9470 7.9470 8.1767 8.1767 8.8314 8.8314 9.2957 9.2957 10.2140 10.2140 10.4284 10.4284 11.0187 11.0187 11.6301 11.6301 11.8220 11.8220 12.0652 12.0652 13.5313 13.5313 14.0835 14.0835 17.9280 17.9280 20.1461 20.1461 23.4078 23.4078 k =-0.2355 0.5556 0.6035 ( 3494 PWs) bands (ev): -86.2880 -86.2880 6.9811 6.9811 7.9165 7.9165 8.1755 8.1755 8.8429 8.8429 9.2867 9.2867 10.2175 10.2175 10.4192 10.4192 11.0201 11.0201 11.6122 11.6122 11.8125 11.8125 12.0608 12.0608 13.5418 13.5418 14.2475 14.2475 17.8115 17.8115 20.0343 20.0343 23.3806 23.3806 k =-0.2309 0.5447 0.5916 ( 3496 PWs) bands (ev): -86.2880 -86.2880 6.9719 6.9719 7.8880 7.8880 8.1753 8.1753 8.8542 8.8542 9.2784 9.2784 10.2219 10.2219 10.4100 10.4100 11.0162 11.0162 11.5935 11.5935 11.7988 11.7988 12.0459 12.0459 13.5701 13.5701 14.4131 14.4131 17.7023 17.7023 19.9253 19.9253 23.3505 23.3505 k =-0.2263 0.5338 0.5798 ( 3490 PWs) bands (ev): -86.2880 -86.2880 6.9565 6.9565 7.8636 7.8636 8.1756 8.1756 8.8651 8.8651 9.2710 9.2710 10.2271 10.2271 10.4006 10.4006 11.0067 11.0067 11.5751 11.5751 11.7813 11.7813 12.0223 12.0223 13.6140 13.6140 14.5793 14.5793 17.6013 17.6013 19.8193 19.8193 23.3178 23.3178 k =-0.2217 0.5229 0.5680 ( 3494 PWs) bands (ev): -86.2880 -86.2880 6.9341 6.9341 7.8444 7.8444 8.1759 8.1759 8.8758 8.8758 9.2643 9.2643 10.2328 10.2328 10.3911 10.3911 10.9913 10.9913 11.5576 11.5576 11.7596 11.7596 11.9927 11.9927 13.6704 13.6704 14.7445 14.7445 17.5097 17.5097 19.7167 19.7167 23.2829 23.2829 k =-0.2170 0.5120 0.5561 ( 3502 PWs) bands (ev): -86.2880 -86.2880 6.9042 6.9042 7.8314 7.8314 8.1760 8.1760 8.8862 8.8862 9.2583 9.2583 10.2386 10.2386 10.3812 10.3812 10.9704 10.9704 11.5410 11.5410 11.7334 11.7334 11.9606 11.9606 13.7363 13.7363 14.9069 14.9069 17.4289 17.4289 19.6179 19.6179 23.2461 23.2461 k =-0.2124 0.5011 0.5443 ( 3504 PWs) bands (ev): -86.2880 -86.2880 6.8667 6.8667 7.8252 7.8252 8.1756 8.1756 8.8964 8.8964 9.2530 9.2530 10.2438 10.2438 10.3712 10.3712 10.9445 10.9445 11.5246 11.5246 11.7029 11.7029 11.9294 11.9294 13.8089 13.8089 15.0642 15.0642 17.3609 17.3609 19.5232 19.5232 23.2077 23.2077 k =-0.2078 0.4902 0.5325 ( 3510 PWs) bands (ev): -86.2880 -86.2880 6.8219 6.8219 7.8256 7.8256 8.1747 8.1747 8.9063 8.9063 9.2484 9.2484 10.2474 10.2474 10.3615 10.3615 10.9148 10.9148 11.5061 11.5061 11.6702 11.6702 11.9010 11.9010 13.8858 13.8858 15.2136 15.2136 17.3084 17.3084 19.4332 19.4332 23.1680 23.1680 k =-0.2032 0.4793 0.5206 ( 3498 PWs) bands (ev): -86.2880 -86.2880 6.7704 6.7704 7.8325 7.8325 8.1732 8.1732 8.9159 8.9159 9.2444 9.2444 10.2474 10.2474 10.3532 10.3532 10.8825 10.8825 11.4820 11.4820 11.6395 11.6395 11.8765 11.8765 13.9648 13.9648 15.3513 15.3513 17.2747 17.2748 19.3483 19.3483 23.1273 23.1273 k =-0.1986 0.4684 0.5088 ( 3498 PWs) bands (ev): -86.2880 -86.2880 6.7129 6.7129 7.8452 7.8452 8.1710 8.1710 8.9253 8.9253 9.2408 9.2408 10.2411 10.2411 10.3483 10.3483 10.8493 10.8493 11.4485 11.4485 11.6154 11.6154 11.8556 11.8556 14.0442 14.0442 15.4730 15.4730 17.2640 17.2640 19.2690 19.2690 23.0857 23.0857 k =-0.1940 0.4575 0.4970 ( 3506 PWs) bands (ev): -86.2881 -86.2881 6.6503 6.6503 7.8631 7.8631 8.1681 8.1681 8.9345 8.9345 9.2377 9.2377 10.2259 10.2259 10.3483 10.3483 10.8166 10.8166 11.4051 11.4051 11.5999 11.5999 11.8379 11.8379 14.1222 14.1222 15.5744 15.5744 17.2802 17.2802 19.1961 19.1961 23.0435 23.0435 k =-0.1893 0.4467 0.4851 ( 3506 PWs) bands (ev): -86.2881 -86.2881 6.5833 6.5833 7.8854 7.8854 8.1644 8.1644 8.9435 8.9435 9.2348 9.2348 10.2014 10.2014 10.3532 10.3532 10.7859 10.7859 11.3544 11.3544 11.5915 11.5915 11.8227 11.8227 14.1976 14.1976 15.6518 15.6518 17.3265 17.3265 19.1300 19.1300 23.0008 23.0008 k =-0.1847 0.4358 0.4733 ( 3500 PWs) bands (ev): -86.2881 -86.2881 6.5127 6.5127 7.9116 7.9116 8.1599 8.1599 8.9523 8.9523 9.2320 9.2320 10.1682 10.1682 10.3616 10.3616 10.7583 10.7583 11.2997 11.2997 11.5878 11.5878 11.8097 11.8097 14.2692 14.2692 15.7041 15.7041 17.4041 17.4041 19.0715 19.0715 22.9578 22.9578 k =-0.1801 0.4249 0.4615 ( 3500 PWs) bands (ev): -86.2881 -86.2881 6.4392 6.4392 7.9410 7.9410 8.1548 8.1548 8.9609 8.9609 9.2292 9.2292 10.1277 10.1277 10.3724 10.3724 10.7342 10.7342 11.2437 11.2437 11.5868 11.5868 11.7986 11.7986 14.3357 14.3357 15.7324 15.7324 17.5112 17.5112 19.0212 19.0212 22.9147 22.9147 k =-0.1755 0.4140 0.4496 ( 3500 PWs) bands (ev): -86.2881 -86.2881 6.3635 6.3635 7.9727 7.9727 8.1492 8.1492 8.9694 8.9694 9.2259 9.2259 10.0811 10.0811 10.3847 10.3847 10.7138 10.7138 11.1883 11.1883 11.5875 11.5875 11.7892 11.7892 14.3961 14.3961 15.7402 15.7402 17.6443 17.6443 18.9798 18.9798 22.8715 22.8715 k =-0.1709 0.4031 0.4378 ( 3502 PWs) bands (ev): -86.2881 -86.2881 6.2861 6.2861 8.0057 8.0057 8.1435 8.1435 8.9776 8.9776 9.2221 9.2221 10.0297 10.0297 10.3980 10.3980 10.6967 10.6967 11.1348 11.1348 11.5890 11.5890 11.7815 11.7815 14.4496 14.4496 15.7318 15.7318 17.7988 17.7988 18.9479 18.9479 22.8285 22.8285 k =-0.1662 0.3922 0.4260 ( 3494 PWs) bands (ev): -86.2881 -86.2881 6.2073 6.2073 8.0382 8.0382 8.1393 8.1393 8.9856 8.9856 9.2172 9.2172 9.9751 9.9751 10.4119 10.4119 10.6822 10.6822 11.0845 11.0845 11.5908 11.5908 11.7754 11.7754 14.4951 14.4951 15.7112 15.7112 17.9703 17.9703 18.9261 18.9261 22.7856 22.7856 k =-0.1616 0.3813 0.4141 ( 3500 PWs) bands (ev): -86.2881 -86.2881 6.1278 6.1278 8.0652 8.0652 8.1411 8.1411 8.9932 8.9932 9.2110 9.2110 9.9188 9.9188 10.4260 10.4260 10.6694 10.6694 11.0385 11.0385 11.5927 11.5927 11.7709 11.7709 14.5321 14.5321 15.6819 15.6819 18.1553 18.1553 18.9149 18.9149 22.7431 22.7431 k =-0.1570 0.3704 0.4023 ( 3498 PWs) bands (ev): -86.2881 -86.2881 6.0477 6.0477 8.0775 8.0775 8.1575 8.1575 9.0004 9.0004 9.2028 9.2028 9.8626 9.8626 10.4399 10.4399 10.6576 10.6576 10.9976 10.9976 11.5943 11.5943 11.7682 11.7682 14.5599 14.5599 15.6466 15.6466 18.3506 18.3506 18.9148 18.9148 22.7009 22.7009 k =-0.1524 0.3595 0.3905 ( 3494 PWs) bands (ev): -86.2881 -86.2881 5.9675 5.9675 8.0751 8.0751 8.1883 8.1883 9.0068 9.0068 9.1924 9.1924 9.8080 9.8080 10.4531 10.4531 10.6464 10.6464 10.9627 10.9627 11.5955 11.5955 11.7672 11.7672 14.5780 14.5780 15.6073 15.6073 18.5541 18.5541 18.9261 18.9261 22.6591 22.6591 k =-0.1478 0.3486 0.3786 ( 3494 PWs) bands (ev): -86.2881 -86.2881 5.8874 5.8874 8.0655 8.0655 8.2254 8.2254 9.0119 9.0119 9.1795 9.1795 9.7567 9.7567 10.4646 10.4646 10.6358 10.6358 10.9343 10.9343 11.5963 11.5963 11.7678 11.7678 14.5862 14.5862 15.5654 15.5654 18.7633 18.7633 18.9498 18.9498 22.6179 22.6179 k =-0.1432 0.3377 0.3668 ( 3490 PWs) bands (ev): -86.2881 -86.2881 5.8076 5.8076 8.0524 8.0524 8.2645 8.2645 9.0147 9.0147 9.1644 9.1644 9.7103 9.7103 10.4734 10.4734 10.6270 10.6270 10.9123 10.9123 11.5966 11.5966 11.7700 11.7700 14.5843 14.5843 15.5223 15.5223 18.9565 18.9565 19.0061 19.0061 22.5773 22.5773 k =-0.1385 0.3268 0.3550 ( 3494 PWs) bands (ev): -86.2881 -86.2881 5.7286 5.7286 8.0371 8.0371 8.3040 8.3040 9.0132 9.0132 9.1486 9.1486 9.6701 9.6701 10.4779 10.4779 10.6215 10.6215 10.8965 10.8965 11.5966 11.5966 11.7738 11.7738 14.5723 14.5723 15.4786 15.4786 19.0200 19.0200 19.2077 19.2077 22.5374 22.5374 k =-0.1339 0.3159 0.3431 ( 3490 PWs) bands (ev): -86.2881 -86.2881 5.6503 5.6503 8.0200 8.0200 8.3427 8.3427 9.0047 9.0047 9.1346 9.1346 9.6372 9.6372 10.4770 10.4770 10.6212 10.6212 10.8858 10.8858 11.5964 11.5964 11.7791 11.7791 14.5506 14.5506 15.4350 15.4350 19.0758 19.0758 19.4313 19.4313 22.4981 22.4981 k =-0.1293 0.3050 0.3313 ( 3484 PWs) bands (ev): -86.2881 -86.2881 5.5732 5.5732 8.0013 8.0013 8.3798 8.3798 8.9867 8.9867 9.1256 9.1256 9.6120 9.6120 10.4712 10.4712 10.6264 10.6264 10.8795 10.8795 11.5959 11.5959 11.7858 11.7858 14.5195 14.5195 15.3919 15.3919 19.1404 19.1404 19.6593 19.6593 22.4597 22.4597 k =-0.1247 0.2941 0.3195 ( 3488 PWs) bands (ev): -86.2881 -86.2881 5.4972 5.4972 7.9811 7.9811 8.4142 8.4142 8.9593 8.9593 9.1222 9.1222 9.5946 9.5946 10.4621 10.4621 10.6363 10.6363 10.8764 10.8764 11.5952 11.5952 11.7938 11.7938 14.4795 14.4795 15.3497 15.3497 19.2140 19.2140 19.8906 19.8906 22.4220 22.4220 k =-0.1201 0.2832 0.3076 ( 3488 PWs) bands (ev): -86.2881 -86.2881 5.4227 5.4227 7.9595 7.9595 8.4451 8.4451 8.9257 8.9257 9.1227 9.1227 9.5850 9.5850 10.4519 10.4519 10.6495 10.6495 10.8758 10.8758 11.5946 11.5946 11.8031 11.8031 14.4313 14.4313 15.3085 15.3085 19.2959 19.2959 20.1245 20.1245 22.3853 22.3853 k =-0.1154 0.2723 0.2958 ( 3496 PWs) bands (ev): -86.2881 -86.2881 5.3498 5.3498 7.9363 7.9363 8.4711 8.4711 8.8896 8.8896 9.1249 9.1249 9.5830 9.5830 10.4420 10.4420 10.6647 10.6647 10.8771 10.8771 11.5939 11.5939 11.8135 11.8135 14.3756 14.3756 15.2684 15.2684 19.3855 19.3855 20.3607 20.3607 22.3495 22.3495 k =-0.1108 0.2615 0.2840 ( 3494 PWs) bands (ev): -86.2881 -86.2881 5.2787 5.2787 7.9118 7.9118 8.4907 8.4907 8.8544 8.8544 9.1274 9.1274 9.5884 9.5884 10.4336 10.4336 10.6811 10.6811 10.8796 10.8796 11.5933 11.5933 11.8250 11.8250 14.3132 14.3132 15.2294 15.2294 19.4820 19.4820 20.5990 20.5990 22.3148 22.3148 k =-0.1062 0.2506 0.2721 ( 3498 PWs) bands (ev): -86.2881 -86.2881 5.2094 5.2094 7.8858 7.8858 8.5022 8.5022 8.8233 8.8233 9.1290 9.1290 9.6012 9.6012 10.4273 10.4273 10.6982 10.6982 10.8831 10.8831 11.5928 11.5928 11.8375 11.8375 14.2450 14.2450 15.1916 15.1916 19.5847 19.5847 20.8389 20.8389 22.2813 22.2813 k =-0.1016 0.2397 0.2603 ( 3498 PWs) bands (ev): -86.2881 -86.2881 5.1421 5.1421 7.8584 7.8584 8.5040 8.5040 8.7990 8.7990 9.1289 9.1289 9.6213 9.6213 10.4235 10.4235 10.7154 10.7154 10.8872 10.8872 11.5924 11.5924 11.8510 11.8510 14.1716 14.1716 15.1549 15.1549 19.6927 19.6927 21.0801 21.0801 22.2490 22.2490 k =-0.0970 0.2288 0.2485 ( 3490 PWs) bands (ev): -86.2882 -86.2882 5.0770 5.0770 7.8298 7.8298 8.4957 8.4957 8.7827 8.7827 9.1271 9.1271 9.6484 9.6484 10.4222 10.4222 10.7326 10.7326 10.8919 10.8919 11.5922 11.5922 11.8654 11.8654 14.0938 14.0938 15.1193 15.1193 19.8053 19.8053 21.3223 21.3223 22.2183 22.2183 k =-0.0924 0.2179 0.2366 ( 3490 PWs) bands (ev): -86.2882 -86.2882 5.0142 5.0142 7.8000 7.8000 8.4784 8.4784 8.7739 8.7739 9.1232 9.1232 9.6819 9.6819 10.4234 10.4234 10.7494 10.7494 10.8970 10.8970 11.5921 11.5921 11.8805 11.8805 14.0123 14.0123 15.0848 15.0848 19.9218 19.9218 21.5648 21.5648 22.1896 22.1896 k =-0.0877 0.2070 0.2248 ( 3488 PWs) bands (ev): -86.2882 -86.2882 4.9538 4.9538 7.7692 7.7692 8.4548 8.4548 8.7705 8.7705 9.1177 9.1177 9.7214 9.7214 10.4270 10.4270 10.7655 10.7655 10.9026 10.9026 11.5922 11.5922 11.8964 11.8964 13.9277 13.9277 15.0513 15.0513 20.0413 20.0413 21.8055 21.8055 22.1648 22.1648 k =-0.0831 0.1961 0.2130 ( 3492 PWs) bands (ev): -86.2882 -86.2882 4.8958 4.8958 7.7376 7.7376 8.4277 8.4277 8.7703 8.7703 9.1108 9.1108 9.7661 9.7661 10.4327 10.4327 10.7809 10.7809 10.9086 10.9086 11.5926 11.5926 11.9128 11.9128 13.8406 13.8406 15.0190 15.0190 20.1631 20.1631 22.0269 22.0269 22.1613 22.1613 k =-0.0785 0.1852 0.2012 ( 3494 PWs) bands (ev): -86.2882 -86.2882 4.8405 4.8405 7.7054 7.7054 8.3993 8.3993 8.7714 8.7714 9.1029 9.1029 9.8151 9.8151 10.4403 10.4403 10.7951 10.7951 10.9151 10.9151 11.5931 11.5931 11.9297 11.9297 13.7517 13.7517 14.9878 14.9878 20.2865 20.2865 22.0861 22.0861 22.3218 22.3218 k =-0.0739 0.1743 0.1893 ( 3488 PWs) bands (ev): -86.2882 -86.2882 4.7878 4.7878 7.6730 7.6730 8.3710 8.3710 8.7727 8.7727 9.0944 9.0944 9.8678 9.8678 10.4494 10.4494 10.8082 10.8082 10.9224 10.9224 11.5939 11.5939 11.9470 11.9470 13.6613 13.6613 14.9578 14.9578 20.4105 20.4105 22.0702 22.0702 22.5591 22.5591 k =-0.0693 0.1634 0.1775 ( 3488 PWs) bands (ev): -86.2882 -86.2882 4.7379 4.7379 7.6405 7.6405 8.3436 8.3436 8.7736 8.7736 9.0856 9.0856 9.9233 9.9233 10.4598 10.4598 10.8197 10.8197 10.9305 10.9305 11.5949 11.5949 11.9645 11.9645 13.5700 13.5700 14.9291 14.9291 20.5343 20.5343 22.0502 22.0502 22.8016 22.8016 k =-0.0647 0.1525 0.1657 ( 3488 PWs) bands (ev): -86.2882 -86.2882 4.6909 4.6909 7.6084 7.6084 8.3177 8.3177 8.7738 8.7738 9.0770 9.0770 9.9808 9.9808 10.4711 10.4711 10.8297 10.8297 10.9397 10.9397 11.5962 11.5962 11.9822 11.9822 13.4783 13.4783 14.9017 14.9017 20.6570 20.6570 22.0310 22.0310 23.0445 23.0445 k =-0.0600 0.1416 0.1538 ( 3492 PWs) bands (ev): -86.2882 -86.2882 4.6468 4.6468 7.5770 7.5770 8.2937 8.2937 8.7731 8.7731 9.0686 9.0686 10.0395 10.0395 10.4830 10.4830 10.8378 10.8378 10.9501 10.9501 11.5978 11.5978 11.9999 11.9999 13.3867 13.3867 14.8756 14.8756 20.7776 20.7776 22.0135 22.0135 23.2863 23.2863 k =-0.0554 0.1307 0.1420 ( 3488 PWs) bands (ev): -86.2882 -86.2882 4.6057 4.6057 7.5466 7.5466 8.2716 8.2716 8.7715 8.7715 9.0608 9.0608 10.0988 10.0988 10.4952 10.4952 10.8440 10.8440 10.9619 10.9619 11.5995 11.5995 12.0176 12.0176 13.2957 13.2957 14.8511 14.8511 20.8949 20.8949 21.9984 21.9984 23.5259 23.5259 k =-0.0508 0.1198 0.1302 ( 3492 PWs) bands (ev): -86.2882 -86.2882 4.5676 4.5676 7.5175 7.5175 8.2515 8.2515 8.7692 8.7692 9.0536 9.0536 10.1578 10.1578 10.5074 10.5074 10.8482 10.8482 10.9753 10.9753 11.6015 11.6015 12.0351 12.0351 13.2058 13.2058 14.8281 14.8281 21.0077 21.0077 21.9861 21.9861 23.7622 23.7622 k =-0.0462 0.1089 0.1183 ( 3496 PWs) bands (ev): -86.2882 -86.2882 4.5326 4.5326 7.4900 7.4900 8.2333 8.2333 8.7662 8.7662 9.0471 9.0471 10.2159 10.2159 10.5194 10.5194 10.8504 10.8504 10.9902 10.9902 11.6036 11.6036 12.0526 12.0526 13.1177 13.1177 14.8067 14.8067 21.1144 21.1144 21.9771 21.9771 23.9940 23.9940 k =-0.0416 0.0980 0.1065 ( 3494 PWs) bands (ev): -86.2882 -86.2882 4.5009 4.5009 7.4643 7.4643 8.2171 8.2171 8.7628 8.7628 9.0414 9.0414 10.2722 10.2722 10.5308 10.5308 10.8508 10.8508 11.0067 11.0067 11.6058 11.6058 12.0698 12.0698 13.0318 13.0318 14.7871 14.7871 21.2135 21.2135 21.9721 21.9721 24.2193 24.2193 k =-0.0369 0.0872 0.0947 ( 3492 PWs) bands (ev): -86.2882 -86.2882 4.4723 4.4723 7.4407 7.4407 8.2028 8.2028 8.7592 8.7592 9.0365 9.0365 10.3260 10.3260 10.5414 10.5414 10.8492 10.8492 11.0246 11.0246 11.6081 11.6081 12.0869 12.0869 12.9489 12.9489 14.7693 14.7693 21.3032 21.3032 21.9716 21.9716 24.4356 24.4356 k =-0.0323 0.0763 0.0828 ( 3492 PWs) bands (ev): -86.2882 -86.2882 4.4470 4.4470 7.4195 7.4195 8.1903 8.1903 8.7555 8.7555 9.0322 9.0322 10.3766 10.3766 10.5512 10.5512 10.8459 10.8459 11.0435 11.0435 11.6103 11.6103 12.1039 12.1039 12.8699 12.8699 14.7533 14.7533 21.3816 21.3816 21.9763 21.9763 24.6397 24.6397 k =-0.0277 0.0654 0.0710 ( 3483 PWs) bands (ev): -86.2882 -86.2882 4.4250 4.4250 7.4007 7.4007 8.1796 8.1796 8.7518 8.7518 9.0287 9.0287 10.4231 10.4231 10.5599 10.5599 10.8411 10.8411 11.0631 11.0631 11.6125 11.6125 12.1207 12.1207 12.7956 12.7956 14.7393 14.7393 21.4474 21.4474 21.9862 21.9862 24.8271 24.8271 k =-0.0231 0.0545 0.0592 ( 3479 PWs) bands (ev): -86.2882 -86.2882 4.4064 4.4064 7.3846 7.3846 8.1706 8.1706 8.7485 8.7485 9.0258 9.0258 10.4649 10.4649 10.5675 10.5675 10.8350 10.8350 11.0824 11.0824 11.6144 11.6144 12.1374 12.1374 12.7273 12.7273 14.7274 14.7274 21.4999 21.4999 22.0008 22.0008 24.9922 24.9922 k =-0.0185 0.0436 0.0473 ( 3483 PWs) bands (ev): -86.2882 -86.2882 4.3910 4.3910 7.3712 7.3712 8.1633 8.1633 8.7456 8.7456 9.0235 9.0235 10.5011 10.5011 10.5740 10.5740 10.8281 10.8281 11.1006 11.1006 11.6161 11.6161 12.1536 12.1536 12.6664 12.6664 14.7175 14.7175 21.5393 21.5393 22.0185 22.0185 25.1296 25.1296 k =-0.0139 0.0327 0.0355 ( 3487 PWs) bands (ev): -86.2882 -86.2882 4.3791 4.3791 7.3607 7.3607 8.1577 8.1577 8.7431 8.7431 9.0217 9.0217 10.5306 10.5306 10.5795 10.5795 10.8210 10.8210 11.1164 11.1164 11.6175 11.6175 12.1688 12.1688 12.6146 12.6146 14.7098 14.7098 21.5671 21.5671 22.0365 22.0365 25.2350 25.2350 k =-0.0092 0.0218 0.0237 ( 3483 PWs) bands (ev): -86.2882 -86.2882 4.3706 4.3706 7.3532 7.3532 8.1537 8.1537 8.7414 8.7414 9.0205 9.0205 10.5521 10.5521 10.5843 10.5843 10.8146 10.8146 11.1289 11.1289 11.6185 11.6185 12.1818 12.1818 12.5744 12.5744 14.7042 14.7042 21.5852 21.5852 22.0520 22.0520 25.3075 25.3075 k =-0.0046 0.0109 0.0118 ( 3475 PWs) bands (ev): -86.2882 -86.2882 4.3655 4.3655 7.3486 7.3486 8.1513 8.1513 8.7403 8.7403 9.0198 9.0198 10.5646 10.5646 10.5884 10.5884 10.8101 10.8101 11.1368 11.1368 11.6192 11.6192 12.1910 12.1910 12.5485 12.5485 14.7009 14.7009 21.5953 21.5953 22.0625 22.0625 25.3492 25.3492 k = 0.0000 0.0000 0.0000 ( 3491 PWs) bands (ev): -86.2882 -86.2882 4.3637 4.3637 7.3471 7.3471 8.1505 8.1505 8.7399 8.7399 9.0195 9.0195 10.5684 10.5684 10.5903 10.5903 10.8084 10.8084 11.1395 11.1395 11.6194 11.6194 12.1943 12.1943 12.5395 12.5395 14.6998 14.6998 21.5985 21.5985 22.0661 22.0661 25.3627 25.3627 k = 0.0000 0.0000 0.0000 ( 3491 PWs) bands (ev): -86.2882 -86.2882 4.3637 4.3637 7.3471 7.3471 8.1505 8.1505 8.7399 8.7399 9.0195 9.0195 10.5684 10.5684 10.5903 10.5903 10.8084 10.8084 11.1395 11.1395 11.6194 11.6194 12.1943 12.1943 12.5395 12.5395 14.6998 14.6998 21.5985 21.5985 22.0661 22.0661 25.3627 25.3627 k = 0.0152 0.0064 0.0000 ( 3483 PWs) bands (ev): -86.2882 -86.2882 4.3654 4.3654 7.3460 7.3460 8.1499 8.1499 8.7405 8.7405 9.0185 9.0185 10.5242 10.5242 10.6337 10.6337 10.8043 10.8043 11.1433 11.1433 11.6200 11.6200 12.1949 12.1949 12.5300 12.5300 14.7144 14.7144 21.5932 21.5932 22.0620 22.0620 25.3701 25.3701 k = 0.0303 0.0128 0.0000 ( 3471 PWs) bands (ev): -86.2882 -86.2882 4.3706 4.3706 7.3429 7.3429 8.1480 8.1480 8.7422 8.7422 9.0156 9.0156 10.4698 10.4698 10.6858 10.6858 10.7925 10.7925 11.1538 11.1538 11.6220 11.6220 12.1969 12.1969 12.5025 12.5025 14.7575 14.7575 21.5776 21.5776 22.0497 22.0497 25.3922 25.3922 k = 0.0455 0.0193 0.0000 ( 3467 PWs) bands (ev): -86.2882 -86.2882 4.3791 4.3791 7.3376 7.3376 8.1448 8.1448 8.7450 8.7450 9.0106 9.0106 10.4140 10.4140 10.7378 10.7378 10.7745 10.7745 11.1698 11.1698 11.6251 11.6251 12.2001 12.2001 12.4596 12.4596 14.8265 14.8265 21.5521 21.5521 22.0295 22.0295 25.4285 25.4285 k = 0.0606 0.0257 0.0000 ( 3475 PWs) bands (ev): -86.2882 -86.2882 4.3910 4.3910 7.3303 7.3303 8.1405 8.1405 8.7488 8.7488 9.0035 9.0035 10.3569 10.3569 10.7520 10.7520 10.7894 10.7894 11.1894 11.1894 11.6295 11.6295 12.2048 12.2048 12.4046 12.4046 14.9180 14.9180 21.5173 21.5173 22.0018 22.0018 25.4783 25.4783 k = 0.0758 0.0321 0.0000 ( 3475 PWs) bands (ev): -86.2882 -86.2882 4.4062 4.4062 7.3209 7.3209 8.1352 8.1352 8.7536 8.7536 8.9943 8.9943 10.2985 10.2985 10.7264 10.7264 10.8406 10.8406 11.2112 11.2112 11.6350 11.6350 12.2109 12.2109 12.3412 12.3412 15.0283 15.0283 21.4741 21.4741 21.9670 21.9670 25.5408 25.5408 k = 0.0909 0.0385 0.0000 ( 3475 PWs) bands (ev): -86.2882 -86.2882 4.4249 4.4249 7.3093 7.3093 8.1289 8.1289 8.7592 8.7592 8.9828 8.9828 10.2386 10.2386 10.6988 10.6988 10.8916 10.8916 11.2340 11.2340 11.6415 11.6415 12.2186 12.2186 12.2728 12.2728 15.1541 15.1541 21.4235 21.4235 21.9258 21.9258 25.6151 25.6151 k = 0.1061 0.0450 0.0000 ( 3475 PWs) bands (ev): -86.2882 -86.2882 4.4469 4.4469 7.2958 7.2958 8.1217 8.1217 8.7656 8.7656 8.9689 8.9689 10.1774 10.1774 10.6701 10.6701 10.9421 10.9421 11.2571 11.2571 11.6488 11.6488 12.2025 12.2025 12.2280 12.2280 15.2923 15.2923 21.3666 21.3666 21.8789 21.8789 25.7002 25.7002 k = 0.1212 0.0514 0.0000 ( 3475 PWs) bands (ev): -86.2882 -86.2882 4.4722 4.4722 7.2801 7.2801 8.1138 8.1138 8.7725 8.7725 8.9524 8.9524 10.1149 10.1149 10.6410 10.6410 10.9923 10.9923 11.2797 11.2797 11.6566 11.6566 12.1325 12.1325 12.2392 12.2392 15.4405 15.4405 21.3044 21.3044 21.8270 21.8270 25.7948 25.7948 k = 0.1364 0.0578 0.0000 ( 3483 PWs) bands (ev): -86.2882 -86.2882 4.5008 4.5008 7.2623 7.2623 8.1052 8.1052 8.7799 8.7799 8.9333 8.9333 10.0513 10.0513 10.6118 10.6118 11.0421 11.0421 11.3016 11.3016 11.6648 11.6648 12.0647 12.0647 12.2522 12.2522 15.5964 15.5964 21.2380 21.2380 21.7708 21.7708 25.8982 25.8982 k = 0.1515 0.0642 0.0000 ( 3467 PWs) bands (ev): -86.2882 -86.2882 4.5327 4.5327 7.2424 7.2424 8.0962 8.0962 8.7877 8.7877 8.9111 8.9111 9.9870 9.9870 10.5829 10.5829 11.0914 11.0914 11.3225 11.3225 11.6731 11.6731 12.0005 12.0005 12.2671 12.2671 15.7585 15.7585 21.1684 21.1684 21.7111 21.7111 26.0092 26.0092 k = 0.1667 0.0707 0.0000 ( 3467 PWs) bands (ev): -86.2882 -86.2882 4.5679 4.5679 7.2203 7.2203 8.0868 8.0868 8.7956 8.7956 8.8859 8.8859 9.9225 9.9225 10.5545 10.5545 11.1401 11.1401 11.3423 11.3423 11.6812 11.6812 11.9407 11.9407 12.2840 12.2840 15.9252 15.9252 21.0965 21.0965 21.6486 21.6486 26.1269 26.1269 k = 0.1818 0.0771 0.0000 ( 3467 PWs) bands (ev): -86.2882 -86.2882 4.6062 4.6062 7.1959 7.1959 8.0772 8.0772 8.8037 8.8037 8.8574 8.8574 9.8584 9.8584 10.5269 10.5269 11.1882 11.1882 11.3611 11.3611 11.6888 11.6888 11.8861 11.8861 12.3029 12.3029 16.0953 16.0953 21.0233 21.0233 21.5840 21.5840 26.2505 26.2505 k = 0.1970 0.0835 0.0000 ( 3475 PWs) bands (ev): -86.2882 -86.2882 4.6477 4.6477 7.1692 7.1692 8.0673 8.0673 8.8118 8.8118 8.8253 8.8253 9.7954 9.7954 10.5002 10.5002 11.2355 11.2355 11.3787 11.3787 11.6957 11.6957 11.8368 11.8368 12.3235 12.3235 16.2677 16.2677 20.9495 20.9495 21.5181 21.5181 26.3779 26.4437 k = 0.2121 0.0899 0.0000 ( 3467 PWs) bands (ev): -86.2882 -86.2882 4.6924 4.6924 7.1401 7.1401 8.0575 8.0575 8.7898 8.7898 8.8199 8.8199 9.7343 9.7343 10.4745 10.4745 11.2819 11.2819 11.3954 11.3954 11.7017 11.7017 11.7930 11.7930 12.3458 12.3458 16.4414 16.4414 20.8760 20.8760 21.4513 21.4513 26.3381 26.3381 k = 0.2273 0.0963 0.0000 ( 3487 PWs) bands (ev): -86.2882 -86.2882 4.7401 4.7401 7.1085 7.1085 8.0476 8.0476 8.7507 8.7507 8.8278 8.8278 9.6758 9.6758 10.4500 10.4500 11.3272 11.3272 11.4111 11.4111 11.7067 11.7067 11.7545 11.7545 12.3695 12.3695 16.6155 16.6155 20.8033 20.8033 21.3844 21.3844 26.2292 26.2292 k = 0.2424 0.1028 0.0000 ( 3483 PWs) bands (ev): -86.2882 -86.2882 4.7907 4.7907 7.0741 7.0741 8.0379 8.0379 8.7083 8.7083 8.8355 8.8355 9.6206 9.6206 10.4267 10.4267 11.3714 11.3714 11.4261 11.4261 11.7105 11.7105 11.7211 11.7211 12.3945 12.3945 16.7889 16.7889 20.7321 20.7321 21.3179 21.3179 26.1142 26.1142 k = 0.2576 0.1092 0.0000 ( 3486 PWs) bands (ev): -86.2882 -86.2882 4.8444 4.8444 7.0368 7.0368 8.0284 8.0284 8.6629 8.6629 8.8428 8.8428 9.5692 9.5692 10.4047 10.4047 11.4143 11.4143 11.4405 11.4405 11.6924 11.6924 11.7132 11.7132 12.4203 12.4203 16.9609 16.9609 20.6631 20.6631 21.2524 21.2524 25.9942 25.9942 k = 0.2727 0.1156 0.0000 ( 3494 PWs) bands (ev): -86.2882 -86.2882 4.9008 4.9008 6.9965 6.9965 8.0191 8.0191 8.6151 8.6151 8.8499 8.8499 9.5219 9.5219 10.3840 10.3840 11.4541 11.4541 11.4558 11.4558 11.6681 11.6681 11.7146 11.7146 12.4468 12.4468 17.1306 17.1306 20.5969 20.5969 21.1883 21.1883 25.8704 25.8704 k = 0.2879 0.1220 0.0000 ( 3494 PWs) bands (ev): -86.2882 -86.2882 4.9601 4.9601 6.9530 6.9530 8.0102 8.0102 8.5657 8.5657 8.8565 8.8565 9.4789 9.4789 10.3647 10.3647 11.4674 11.4674 11.4954 11.4954 11.6477 11.6477 11.7149 11.7149 12.4734 12.4734 17.2968 17.2968 20.5339 20.5339 21.1261 21.1261 25.7439 25.7439 k = 0.3030 0.1285 0.0000 ( 3482 PWs) bands (ev): -86.2882 -86.2882 5.0221 5.0221 6.9060 6.9060 8.0017 8.0017 8.5154 8.5154 8.8627 8.8627 9.4401 9.4401 10.3467 10.3467 11.4802 11.4802 11.5333 11.5333 11.6308 11.6308 11.7141 11.7141 12.5000 12.5000 17.4587 17.4587 20.4746 20.4746 21.0663 21.0663 25.6160 25.6160 k = 0.3182 0.1349 0.0000 ( 3482 PWs) bands (ev): -86.2882 -86.2882 5.0866 5.0866 6.8556 6.8556 7.9936 7.9936 8.4653 8.4653 8.8685 8.8685 9.4055 9.4055 10.3302 10.3302 11.4927 11.4927 11.5691 11.5691 11.6171 11.6171 11.7123 11.7123 12.5261 12.5261 17.6152 17.6152 20.4196 20.4196 21.0092 21.0092 25.4881 25.4881 k = 0.3333 0.1413 0.0000 ( 3478 PWs) bands (ev): -86.2882 -86.2882 5.1536 5.1536 6.8015 6.8015 7.9859 7.9859 8.4162 8.4162 8.8738 8.8738 9.3748 9.3748 10.3150 10.3150 11.5048 11.5048 11.6003 11.6003 11.6086 11.6086 11.7095 11.7095 12.5514 12.5514 17.7651 17.7651 20.3693 20.3693 20.9553 20.9553 25.3614 25.3614 k = 0.3485 0.1477 0.0000 ( 3478 PWs) bands (ev): -86.2882 -86.2882 5.2230 5.2230 6.7437 6.7437 7.9789 7.9789 8.3691 8.3691 8.8787 8.8787 9.3478 9.3478 10.3012 10.3012 11.5166 11.5166 11.5963 11.5963 11.6352 11.6352 11.7058 11.7058 12.5757 12.5757 17.9072 17.9072 20.3240 20.3240 20.9048 20.9048 25.2376 25.2376 k = 0.3636 0.1541 0.0000 ( 3482 PWs) bands (ev): -86.2882 -86.2882 5.2946 5.2946 6.6823 6.6823 7.9723 7.9723 8.3248 8.3248 8.8830 8.8830 9.3241 9.3241 10.2888 10.2888 11.5282 11.5282 11.5895 11.5895 11.6641 11.6641 11.7014 11.7014 12.5986 12.5986 18.0403 18.0403 20.2842 20.2842 20.8582 20.8582 25.1182 25.1182 k = 0.3788 0.1606 0.0000 ( 3478 PWs) bands (ev): -86.2882 -86.2882 5.3682 5.3682 6.6174 6.6174 7.9664 7.9664 8.2839 8.2839 8.8869 8.8869 9.3036 9.3036 10.2778 10.2778 11.5394 11.5394 11.5841 11.5841 11.6905 11.6905 11.6963 11.6963 12.6198 12.6198 18.1631 18.1631 20.2499 20.2499 20.8156 20.8156 25.0047 25.0047 k = 0.3939 0.1670-0.0000 ( 3478 PWs) bands (ev): -86.2882 -86.2882 5.4437 5.4437 6.5492 6.5492 7.9611 7.9611 8.2470 8.2470 8.8903 8.8903 9.2860 9.2860 10.2682 10.2682 11.5504 11.5504 11.5800 11.5800 11.6905 11.6905 11.7143 11.7143 12.6391 12.6391 18.2743 18.2743 20.2214 20.2214 20.7774 20.7774 24.8989 24.8989 k = 0.4091 0.1734-0.0000 ( 3478 PWs) bands (ev): -86.2882 -86.2882 5.5209 5.5209 6.4779 6.4779 7.9565 7.9565 8.2145 8.2145 8.8932 8.8932 9.2711 9.2711 10.2598 10.2598 11.5610 11.5610 11.5770 11.5770 11.6843 11.6843 11.7351 11.7351 12.6564 12.6564 18.3727 18.3727 20.1985 20.1985 20.7438 20.7438 24.8025 24.8025 k = 0.4242 0.1798 0.0000 ( 3486 PWs) bands (ev): -86.2882 -86.2882 5.5996 5.5996 6.4039 6.4039 7.9526 7.9526 8.1866 8.1866 8.8957 8.8957 9.2588 9.2588 10.2528 10.2528 11.5711 11.5711 11.5750 11.5750 11.6777 11.6777 11.7530 11.7530 12.6713 12.6713 18.4573 18.4573 20.1809 20.1809 20.7150 20.7150 24.7172 24.7172 k = 0.4394 0.1863 0.0000 ( 3486 PWs) bands (ev): -86.2882 -86.2882 5.6796 5.6796 6.3275 6.3275 7.9493 7.9493 8.1637 8.1637 8.8977 8.8977 9.2488 9.2488 10.2471 10.2471 11.5731 11.5731 11.5811 11.5811 11.6709 11.6709 11.7678 11.7678 12.6837 12.6837 18.5273 18.5273 20.1681 20.1681 20.6912 20.6912 24.6446 24.6446 k = 0.4545 0.1927 0.0000 ( 3482 PWs) bands (ev): -86.2882 -86.2882 5.7605 5.7605 6.2491 6.2491 7.9467 7.9467 8.1458 8.1458 8.8992 8.8992 9.2412 9.2412 10.2427 10.2427 11.5721 11.5721 11.5900 11.5900 11.6642 11.6642 11.7793 11.7793 12.6935 12.6935 18.5822 18.5822 20.1593 20.1593 20.6725 20.6725 24.5862 24.5862 k = 0.4697 0.1991 0.0000 ( 3490 PWs) bands (ev): -86.2882 -86.2882 5.8422 5.8422 6.1692 6.1692 7.9449 7.9449 8.1329 8.1329 8.9003 8.9003 9.2358 9.2358 10.2395 10.2395 11.5714 11.5714 11.5976 11.5976 11.6581 11.6581 11.7877 11.7877 12.7006 12.7006 18.6214 18.6214 20.1539 20.1539 20.6591 20.6591 24.5435 24.5435 k = 0.4848 0.2055 0.0000 ( 3490 PWs) bands (ev): -86.2882 -86.2882 5.9241 5.9241 6.0882 6.0882 7.9438 7.9438 8.1252 8.1252 8.9009 8.9009 9.2326 9.2326 10.2376 10.2376 11.5711 11.5711 11.6031 11.6031 11.6535 11.6535 11.7927 11.7927 12.7049 12.7049 18.6450 18.6450 20.1510 20.1510 20.6510 20.6510 24.5175 24.5175 k = 0.5000 0.2120 0.0000 ( 3490 PWs) bands (ev): -86.2882 -86.2882 6.0017 6.0017 6.0110 6.0110 7.9434 7.9434 8.1226 8.1226 8.9012 8.9012 9.2315 9.2315 10.2370 10.2370 11.5710 11.5710 11.6052 11.6052 11.6517 11.6517 11.7943 11.7943 12.7063 12.7063 18.6529 18.6529 20.1501 20.1501 20.6483 20.6483 24.5087 24.5087 k = 0.5000 0.2120 0.0000 ( 3490 PWs) bands (ev): -86.2882 -86.2882 6.0017 6.0017 6.0110 6.0110 7.9434 7.9434 8.1226 8.1226 8.9012 8.9012 9.2315 9.2315 10.2370 10.2370 11.5710 11.5710 11.6052 11.6052 11.6517 11.6517 11.7943 11.7943 12.7063 12.7063 18.6529 18.6529 20.1501 20.1501 20.6483 20.6483 24.5087 24.5087 k = 0.4954 0.2229 0.0119 ( 3490 PWs) bands (ev): -86.2882 -86.2882 6.0028 6.0028 6.0130 6.0130 7.9443 7.9443 8.1228 8.1228 8.9018 8.9018 9.2317 9.2317 10.2372 10.2372 11.5662 11.5662 11.6018 11.6018 11.6532 11.6532 11.7979 11.7979 12.7057 12.7057 18.6557 18.6557 20.1483 20.1483 20.6455 20.6455 24.5090 24.5090 k = 0.4907 0.2339 0.0238 ( 3486 PWs) bands (ev): -86.2882 -86.2882 6.0063 6.0063 6.0188 6.0188 7.9468 7.9468 8.1233 8.1233 8.9035 8.9035 9.2321 9.2321 10.2380 10.2380 11.5529 11.5529 11.5924 11.5924 11.6566 11.6566 11.8077 11.8077 12.7037 12.7037 18.6641 18.6641 20.1423 20.1423 20.6377 20.6377 24.5100 24.5100 k = 0.4861 0.2448 0.0357 ( 3482 PWs) bands (ev): -86.2882 -86.2882 6.0121 6.0121 6.0284 6.0284 7.9510 7.9510 8.1242 8.1242 8.9065 8.9065 9.2328 9.2328 10.2391 10.2391 11.5333 11.5333 11.5786 11.5786 11.6602 11.6602 11.8221 11.8221 12.7005 12.7005 18.6780 18.6780 20.1305 20.1305 20.6272 20.6272 24.5113 24.5113 k = 0.4814 0.2558 0.0476 ( 3478 PWs) bands (ev): -86.2882 -86.2882 6.0203 6.0203 6.0418 6.0418 7.9568 7.9568 8.1254 8.1254 8.9106 8.9106 9.2338 9.2338 10.2408 10.2408 11.5090 11.5090 11.5615 11.5615 11.6626 11.6626 11.8393 11.8393 12.6960 12.6960 18.6972 18.6972 20.1101 20.1101 20.6173 20.6173 24.5125 24.5125 k = 0.4768 0.2667 0.0595 ( 3474 PWs) bands (ev): -86.2882 -86.2882 6.0308 6.0308 6.0588 6.0588 7.9644 7.9644 8.1270 8.1270 8.9159 8.9159 9.2351 9.2351 10.2430 10.2430 11.4813 11.4813 11.5421 11.5421 11.6633 11.6633 11.8579 11.8579 12.6904 12.6904 18.7214 18.7214 20.0781 20.0781 20.6121 20.6121 24.5130 24.5130 k = 0.4721 0.2777 0.0714 ( 3470 PWs) bands (ev): -86.2882 -86.2882 6.0435 6.0435 6.0795 6.0795 7.9736 7.9736 8.1291 8.1291 8.9224 8.9224 9.2367 9.2367 10.2456 10.2456 11.4510 11.4510 11.5207 11.5207 11.6620 11.6620 11.8773 11.8773 12.6838 12.6838 18.7502 18.7502 20.0324 20.0324 20.6148 20.6148 24.5124 24.5124 k = 0.4675 0.2886 0.0833 ( 3468 PWs) bands (ev): -86.2882 -86.2882 6.0584 6.0584 6.1038 6.1038 7.9846 7.9846 8.1315 8.1315 8.9300 8.9300 9.2385 9.2385 10.2488 10.2488 11.4188 11.4188 11.4977 11.4977 11.6585 11.6585 11.8969 11.8969 12.6762 12.6762 18.7830 18.7830 19.9725 19.9725 20.6273 20.6273 24.5101 24.5101 k = 0.4629 0.2996 0.0952 ( 3462 PWs) bands (ev): -86.2882 -86.2882 6.0753 6.0753 6.1316 6.1316 7.9973 7.9973 8.1345 8.1345 8.9387 8.9387 9.2406 9.2406 10.2525 10.2525 11.3849 11.3849 11.4732 11.4732 11.6526 11.6526 11.9163 11.9163 12.6677 12.6677 18.8187 18.8187 19.8999 19.8999 20.6500 20.6500 24.5054 24.5054 k = 0.4582 0.3105 0.1071 ( 3460 PWs) bands (ev): -86.2882 -86.2882 6.0941 6.0941 6.1629 6.1629 8.0118 8.0118 8.1380 8.1380 8.9487 8.9487 9.2430 9.2430 10.2568 10.2568 11.3499 11.3499 11.4474 11.4474 11.6445 11.6445 11.9354 11.9354 12.6586 12.6586 18.8559 18.8559 19.8175 19.8175 20.6822 20.6822 24.4981 24.4981 k = 0.4536 0.3215 0.1190 ( 3458 PWs) bands (ev): -86.2882 -86.2882 6.1148 6.1148 6.1977 6.1977 8.0279 8.0279 8.1420 8.1420 8.9597 8.9597 9.2456 9.2456 10.2616 10.2616 11.3138 11.3138 11.4205 11.4205 11.6340 11.6340 11.9540 11.9540 12.6489 12.6489 18.8920 18.8920 19.7297 19.7297 20.7228 20.7228 24.4876 24.4876 k = 0.4489 0.3325 0.1309 ( 3466 PWs) bands (ev): -86.2882 -86.2882 6.1370 6.1370 6.2358 6.2358 8.0457 8.0457 8.1468 8.1468 8.9719 8.9719 9.2485 9.2485 10.2670 10.2670 11.2770 11.2770 11.3925 11.3925 11.6213 11.6213 11.9720 11.9720 12.6387 12.6387 18.9223 18.9223 19.6427 19.6427 20.7708 20.7708 24.4737 24.4737 k = 0.4443 0.3434 0.1428 ( 3462 PWs) bands (ev): -86.2882 -86.2882 6.1607 6.1607 6.2770 6.2770 8.0651 8.0651 8.1525 8.1525 8.9852 8.9852 9.2517 9.2517 10.2729 10.2729 11.2396 11.2396 11.3637 11.3637 11.6063 11.6063 11.9894 11.9894 12.6281 12.6281 18.9386 18.9386 19.5659 19.5659 20.8253 20.8253 24.4561 24.4561 k = 0.4396 0.3544 0.1547 ( 3464 PWs) bands (ev): -86.2882 -86.2882 6.1857 6.1857 6.3214 6.3214 8.0857 8.0857 8.1593 8.1593 8.9996 8.9996 9.2552 9.2552 10.2794 10.2794 11.2019 11.2019 11.3341 11.3341 11.5893 11.5893 12.0063 12.0063 12.6172 12.6172 18.9290 18.9290 19.5127 19.5127 20.8856 20.8856 24.4345 24.4345 k = 0.4350 0.3653 0.1666 ( 3474 PWs) bands (ev): -86.2882 -86.2882 6.2118 6.2118 6.3688 6.3688 8.1072 8.1072 8.1680 8.1680 9.0152 9.0152 9.2590 9.2590 10.2865 10.2865 11.1640 11.1640 11.3038 11.3038 11.5704 11.5704 12.0225 12.0225 12.6061 12.6061 18.8826 18.8826 19.4946 19.4946 20.9510 20.9510 24.4087 24.4087 k = 0.4303 0.3763 0.1785 ( 3470 PWs) bands (ev): -86.2882 -86.2882 6.2388 6.2388 6.4190 6.4190 8.1282 8.1282 8.1795 8.1795 9.0318 9.0318 9.2632 9.2632 10.2942 10.2942 11.1261 11.1261 11.2731 11.2731 11.5497 11.5497 12.0381 12.0381 12.5948 12.5948 18.7998 18.7998 19.5119 19.5119 21.0210 21.0210 24.3785 24.3785 k = 0.4257 0.3872 0.1904 ( 3476 PWs) bands (ev): -86.2882 -86.2882 6.2666 6.2666 6.4719 6.4719 8.1470 8.1470 8.1958 8.1958 9.0496 9.0496 9.2679 9.2679 10.3024 10.3024 11.0884 11.0884 11.2420 11.2420 11.5273 11.5273 12.0531 12.0531 12.5835 12.5835 18.6902 18.6902 19.5556 19.5556 21.0952 21.0952 24.3437 24.3437 k = 0.4211 0.3982 0.2023 ( 3476 PWs) bands (ev): -86.2882 -86.2882 6.2948 6.2948 6.5272 6.5272 8.1623 8.1623 8.2182 8.2182 9.0685 9.0685 9.2732 9.2732 10.3111 10.3111 11.0510 11.0510 11.2107 11.2107 11.5035 11.5035 12.0675 12.0675 12.5720 12.5720 18.5633 18.5633 19.6164 19.6164 21.1730 21.1730 24.3040 24.3040 k = 0.4164 0.4091 0.2142 ( 3474 PWs) bands (ev): -86.2882 -86.2882 6.3234 6.3234 6.5848 6.5848 8.1750 8.1750 8.2456 8.2456 9.0886 9.0886 9.2790 9.2790 10.3203 10.3203 11.0143 11.0143 11.1793 11.1793 11.4784 11.4784 12.0813 12.0813 12.5606 12.5606 18.4255 18.4255 19.6885 19.6885 21.2542 21.2542 24.2592 24.2592 k = 0.4118 0.4201 0.2261 ( 3478 PWs) bands (ev): -86.2882 -86.2882 6.3521 6.3521 6.6445 6.6445 8.1864 8.1864 8.2766 8.2766 9.1098 9.1098 9.2857 9.2857 10.3300 10.3300 10.9783 10.9783 11.1481 11.1481 11.4524 11.4524 12.0946 12.0946 12.5491 12.5491 18.2804 18.2804 19.7681 19.7681 21.3382 21.3382 24.2092 24.2092 k = 0.4071 0.4310 0.2380 ( 3482 PWs) bands (ev): -86.2882 -86.2882 6.3808 6.3808 6.7061 6.7061 8.1975 8.1975 8.3101 8.3101 9.1322 9.1322 9.2934 9.2934 10.3399 10.3399 10.9432 10.9432 11.1171 11.1171 11.4256 11.4256 12.1074 12.1074 12.5376 12.5376 18.1305 18.1305 19.8531 19.8531 21.4248 21.4248 24.1537 24.1537 k = 0.4025 0.4420 0.2499 ( 3486 PWs) bands (ev): -86.2882 -86.2882 6.4092 6.4092 6.7692 6.7692 8.2088 8.2088 8.3452 8.3452 9.1558 9.1558 9.3023 9.3023 10.3501 10.3501 10.9093 10.9093 11.0866 11.0866 11.3982 11.3982 12.1197 12.1197 12.5261 12.5261 17.9770 17.9770 19.9419 19.9419 21.5135 21.5135 24.0926 24.0926 k = 0.3978 0.4530 0.2618 ( 3482 PWs) bands (ev): -86.2881 -86.2881 6.4372 6.4372 6.8337 6.8337 8.2205 8.2205 8.3816 8.3816 9.1807 9.1807 9.3127 9.3127 10.3603 10.3603 10.8768 10.8768 11.0569 11.0569 11.3706 11.3706 12.1315 12.1315 12.5146 12.5146 17.8211 17.8211 20.0333 20.0333 21.6041 21.6041 24.0258 24.0258 k = 0.3932 0.4639 0.2737 ( 3480 PWs) bands (ev): -86.2881 -86.2881 6.4646 6.4646 6.8992 6.8992 8.2327 8.2327 8.4185 8.4185 9.2068 9.2068 9.3249 9.3249 10.3704 10.3704 10.8458 10.8458 11.0283 11.0283 11.3429 11.3429 12.1429 12.1429 12.5030 12.5030 17.6634 17.6634 20.1263 20.1263 21.6960 21.6960 23.9532 23.9532 k = 0.3886 0.4749 0.2856 ( 3488 PWs) bands (ev): -86.2881 -86.2881 6.4913 6.4913 6.9653 6.9653 8.2454 8.2454 8.4554 8.4554 9.2341 9.2341 9.3396 9.3396 10.3802 10.3802 10.8165 10.8165 11.0012 11.0012 11.3155 11.3155 12.1539 12.1539 12.4914 12.4914 17.5046 17.5046 20.2198 20.2198 21.7888 21.7888 23.8749 23.8749 k = 0.3839 0.4858 0.2975 ( 3484 PWs) bands (ev): -86.2881 -86.2881 6.5173 6.5173 7.0319 7.0319 8.2586 8.2586 8.4917 8.4917 9.2623 9.2623 9.3574 9.3574 10.3894 10.3894 10.7892 10.7892 10.9759 10.9759 11.2887 11.2887 12.1646 12.1646 12.4798 12.4798 17.3450 17.3450 20.3127 20.3127 21.8822 21.8822 23.7911 23.7911 k = 0.3793 0.4968 0.3094 ( 3484 PWs) bands (ev): -86.2881 -86.2881 6.5424 6.5424 7.0985 7.0985 8.2724 8.2724 8.5265 8.5265 9.2909 9.2909 9.3794 9.3794 10.3977 10.3977 10.7637 10.7637 10.9531 10.9531 11.2627 11.2627 12.1748 12.1748 12.4682 12.4682 17.1852 17.1852 20.4038 20.4038 21.9757 21.9757 23.7020 23.7020 k = 0.3746 0.5077 0.3212 ( 3484 PWs) bands (ev): -86.2881 -86.2881 6.5666 6.5666 7.1647 7.1647 8.2866 8.2866 8.5593 8.5593 9.3187 9.3187 9.4071 9.4071 10.4048 10.4048 10.7403 10.7403 10.9332 10.9332 11.2380 11.2380 12.1848 12.1848 12.4566 12.4566 17.0253 17.0253 20.4915 20.4915 22.0688 22.0688 23.6083 23.6083 k = 0.3700 0.5187 0.3331 ( 3482 PWs) bands (ev): -86.2881 -86.2881 6.5898 6.5898 7.2303 7.2303 8.3013 8.3013 8.5892 8.5892 9.3448 9.3448 9.4418 9.4418 10.4103 10.4103 10.7188 10.7188 10.9171 10.9171 11.2149 11.2149 12.1943 12.1943 12.4450 12.4450 16.8656 16.8656 20.5739 20.5739 22.1608 22.1608 23.5108 23.5108 k = 0.3653 0.5296 0.3450 ( 3492 PWs) bands (ev): -86.2881 -86.2881 6.6121 6.6121 7.2948 7.2948 8.3165 8.3165 8.6158 8.6158 9.3688 9.3688 9.4840 9.4840 10.4140 10.4140 10.6993 10.6993 10.9053 10.9053 11.1938 11.1938 12.2036 12.2036 12.4335 12.4335 16.7064 16.7064 20.6490 20.6490 22.2511 22.2511 23.4106 23.4106 k = 0.3607 0.5406 0.3569 ( 3492 PWs) bands (ev): -86.2881 -86.2881 6.6334 6.6334 7.3578 7.3578 8.3319 8.3319 8.6385 8.6385 9.3908 9.3908 9.5336 9.5336 10.4157 10.4157 10.6815 10.6815 10.8983 10.8983 11.1754 11.1754 12.2124 12.2124 12.4223 12.4223 16.5480 16.5480 20.7139 20.7139 22.3390 22.3390 23.3091 23.3091 k = 0.3560 0.5515 0.3688 ( 3492 PWs) bands (ev): -86.2881 -86.2881 6.6537 6.6537 7.4191 7.4191 8.3475 8.3475 8.6572 8.6572 9.4109 9.4109 9.5900 9.5900 10.4152 10.4152 10.6655 10.6655 10.8962 10.8962 11.1604 11.1604 12.2208 12.2208 12.4115 12.4115 16.3905 16.3905 20.7655 20.7655 22.4235 22.4235 23.2075 23.2075 k = 0.3514 0.5625 0.3807 ( 3488 PWs) bands (ev): -86.2881 -86.2881 6.6732 6.6732 7.4783 7.4783 8.3632 8.3632 8.6719 8.6719 9.4292 9.4292 9.6527 9.6527 10.4124 10.4124 10.6513 10.6513 10.8990 10.8990 11.1496 11.1496 12.2285 12.2285 12.4015 12.4015 16.2340 16.2340 20.8002 20.8002 22.5038 22.5038 23.1064 23.1064 k = 0.3468 0.5734 0.3926 ( 3484 PWs) bands (ev): -86.2881 -86.2881 6.6919 6.6919 7.5352 7.5352 8.3788 8.3788 8.6826 8.6826 9.4454 9.4454 9.7210 9.7210 10.4074 10.4074 10.6392 10.6392 10.9059 10.9059 11.1441 11.1441 12.2352 12.2352 12.3927 12.3927 16.0789 16.0789 20.8144 20.8144 22.5786 22.5786 23.0051 23.0051 k = 0.3421 0.5844 0.4045 ( 3484 PWs) bands (ev): -86.2881 -86.2881 6.7097 6.7097 7.5893 7.5893 8.3942 8.3942 8.6898 8.6898 9.4592 9.4592 9.7944 9.7944 10.4001 10.4001 10.6293 10.6293 10.9163 10.9163 11.1451 11.1451 12.2404 12.2404 12.3859 12.3859 15.9251 15.9251 20.8053 20.8053 22.6455 22.6455 22.9039 22.9039 k = 0.3375 0.5954 0.4164 ( 3492 PWs) bands (ev): -86.2881 -86.2881 6.7269 6.7269 7.6407 7.6407 8.4090 8.4090 8.6937 8.6937 9.4704 9.4704 9.8721 9.8721 10.3907 10.3907 10.6215 10.6215 10.9291 10.9291 11.1540 11.1540 12.2434 12.2434 12.3820 12.3820 15.7730 15.7730 20.7711 20.7711 22.6884 22.6884 22.8180 22.8180 k = 0.3328 0.6063 0.4283 ( 3492 PWs) bands (ev): -86.2881 -86.2881 6.7435 6.7435 7.6890 7.6890 8.4230 8.4230 8.6949 8.6949 9.4786 9.4786 9.9533 9.9533 10.3794 10.3794 10.6157 10.6157 10.9437 10.9437 11.1716 11.1716 12.2434 12.2434 12.3823 12.3823 15.6226 15.6226 20.7122 20.7122 22.6353 22.6353 22.8213 22.8213 k = 0.3282 0.6173 0.4402 ( 3494 PWs) bands (ev): -86.2881 -86.2881 6.7596 6.7596 7.7342 7.7342 8.4357 8.4357 8.6940 8.6940 9.4838 9.4838 10.0370 10.0370 10.3666 10.3666 10.6113 10.6113 10.9599 10.9599 11.1982 11.1982 12.2398 12.2398 12.3876 12.3876 15.4741 15.4741 20.6301 20.6301 22.5245 22.5245 22.8786 22.8786 k = 0.3235 0.6282 0.4521 ( 3488 PWs) bands (ev): -86.2881 -86.2881 6.7752 6.7752 7.7762 7.7762 8.4467 8.4467 8.6917 8.6917 9.4860 9.4860 10.1221 10.1221 10.3527 10.3527 10.6081 10.6081 10.9782 10.9782 11.2334 11.2334 12.2327 12.2327 12.3987 12.3987 15.3278 15.3278 20.5281 20.5281 22.4026 22.4026 22.9458 22.9458 k = 0.3189 0.6392 0.4640 ( 3494 PWs) bands (ev): -86.2881 -86.2881 6.7904 6.7904 7.8150 7.8150 8.4552 8.4552 8.6888 8.6888 9.4852 9.4852 10.2074 10.2074 10.3381 10.3381 10.6057 10.6057 10.9996 10.9996 11.2759 11.2759 12.2226 12.2226 12.4157 12.4157 15.1837 15.1837 20.4097 20.4097 22.2766 22.2766 23.0169 23.0169 k = 0.3143 0.6501 0.4759 ( 3498 PWs) bands (ev): -86.2881 -86.2881 6.8053 6.8053 7.8506 7.8506 8.4603 8.4603 8.6861 8.6861 9.4817 9.4817 10.2908 10.2908 10.3233 10.3233 10.6042 10.6042 11.0252 11.0252 11.3241 11.3241 12.2100 12.2100 12.4390 12.4390 15.0420 15.0420 20.2783 20.2783 22.1484 22.1484 23.0893 23.0893 k = 0.3096 0.6611 0.4878 ( 3498 PWs) bands (ev): -86.2881 -86.2881 6.8200 6.8200 7.8832 7.8832 8.4614 8.4614 8.6847 8.6847 9.4757 9.4757 10.3086 10.3086 10.3696 10.3696 10.6051 10.6051 11.0559 11.0559 11.3762 11.3762 12.1955 12.1955 12.4692 12.4692 14.9030 14.9030 20.1372 20.1372 22.0190 22.0190 23.1600 23.1600 k = 0.3050 0.6720 0.4997 ( 3506 PWs) bands (ev): -86.2881 -86.2881 6.8344 6.8344 7.9127 7.9127 8.4575 8.4575 8.6853 8.6853 9.4675 9.4675 10.2944 10.2944 10.4384 10.4384 10.6118 10.6118 11.0929 11.0929 11.4301 11.4301 12.1795 12.1795 12.5072 12.5072 14.7670 14.7670 19.9890 19.9890 21.8891 21.8891 23.2266 23.2266 k = 0.3003 0.6830 0.5116 ( 3506 PWs) bands (ev): -86.2880 -86.2880 6.8487 6.8487 7.9393 7.9393 8.4484 8.4484 8.6883 8.6883 9.4576 9.4576 10.2809 10.2809 10.4879 10.4879 10.6322 10.6322 11.1368 11.1368 11.4838 11.4838 12.1625 12.1625 12.5541 12.5541 14.6341 14.6341 19.8359 19.8359 21.7589 21.7589 23.2868 23.2868 k = 0.2957 0.6939 0.5235 ( 3502 PWs) bands (ev): -86.2880 -86.2880 6.8629 6.8629 7.9630 7.9630 8.4341 8.4341 8.6939 8.6939 9.4462 9.4462 10.2682 10.2682 10.5116 10.5116 10.6713 10.6713 11.1883 11.1883 11.5351 11.5351 12.1446 12.1446 12.6110 12.6110 14.5048 14.5048 19.6796 19.6796 21.6288 21.6288 23.3393 23.3393 k = 0.2910 0.7049 0.5354 ( 3498 PWs) bands (ev): -86.2880 -86.2880 6.8769 6.8769 7.9841 7.9841 8.4149 8.4149 8.7016 8.7016 9.4337 9.4337 10.2566 10.2566 10.5176 10.5176 10.7203 10.7203 11.2471 11.2471 11.5824 11.5824 12.1261 12.1261 12.6790 12.6790 14.3794 14.3794 19.5217 19.5217 21.4990 21.4990 23.3833 23.3833 k = 0.2864 0.7159 0.5473 ( 3494 PWs) bands (ev): -86.2880 -86.2880 6.8908 6.8908 8.0024 8.0024 8.3916 8.3916 8.7111 8.7111 9.4205 9.4205 10.2462 10.2462 10.5154 10.5154 10.7694 10.7694 11.3125 11.3125 11.6244 11.6244 12.1075 12.1075 12.7588 12.7588 14.2583 14.2583 19.3634 19.3634 21.3697 21.3697 23.4190 23.4190 k = 0.2817 0.7268 0.5592 ( 3498 PWs) bands (ev): -86.2880 -86.2880 6.9045 6.9045 8.0180 8.0180 8.3650 8.3650 8.7218 8.7218 9.4068 9.4068 10.2370 10.2370 10.5096 10.5096 10.8143 10.8143 11.3823 11.3823 11.6603 11.6603 12.0890 12.0890 12.8505 12.8505 14.1423 14.1423 19.2056 19.2056 21.2411 21.2411 23.4466 23.4466 k = 0.2771 0.7378 0.5711 ( 3490 PWs) bands (ev): -86.2880 -86.2880 6.9179 6.9179 8.0307 8.0307 8.3357 8.3357 8.7334 8.7334 9.3929 9.3929 10.2291 10.2291 10.5020 10.5020 10.8542 10.8542 11.4537 11.4537 11.6902 11.6902 12.0713 12.0713 12.9540 12.9540 14.0321 14.0321 19.0492 19.0492 21.1133 21.1133 23.4664 23.4664 k = 0.2725 0.7487 0.5830 ( 3498 PWs) bands (ev): -86.2880 -86.2880 6.9309 6.9309 8.0402 8.0402 8.3049 8.3049 8.7456 8.7456 9.3790 9.3790 10.2226 10.2226 10.4934 10.4934 10.8892 10.8892 11.5226 11.5226 11.7154 11.7154 12.0553 12.0553 13.0684 13.0684 13.9287 13.9287 18.8950 18.8950 20.9866 20.9866 23.4791 23.4791 k = 0.2725 0.7487 0.5830 ( 3498 PWs) bands (ev): -86.2880 -86.2880 6.9309 6.9309 8.0402 8.0402 8.3049 8.3049 8.7456 8.7456 9.3790 9.3790 10.2226 10.2226 10.4934 10.4934 10.8892 10.8892 11.5226 11.5226 11.7154 11.7154 12.0553 12.0553 13.0684 13.0684 13.9287 13.9287 18.8950 18.8950 20.9866 20.9866 23.4791 23.4791 k = 0.2564 0.7456 0.5864 ( 3498 PWs) bands (ev): -86.2880 -86.2880 6.9352 6.9352 8.0325 8.0325 8.3052 8.3052 8.7494 8.7494 9.3765 9.3765 10.2204 10.2204 10.4894 10.4894 10.8963 10.8963 11.5197 11.5197 11.7467 11.7467 12.0520 12.0520 13.1019 13.1019 13.9012 13.9012 18.8451 18.8451 20.9561 20.9561 23.4811 23.4811 k = 0.2404 0.7425 0.5898 ( 3494 PWs) bands (ev): -86.2880 -86.2880 6.9411 6.9411 8.0072 8.0072 8.3219 8.3219 8.7536 8.7536 9.3770 9.3770 10.2172 10.2172 10.4828 10.4828 10.8987 10.8987 11.4899 11.4899 11.8097 11.8097 12.0520 12.0520 13.1342 13.1342 13.8756 13.8756 18.7833 18.7833 20.9365 20.9365 23.4822 23.4822 k = 0.2244 0.7394 0.5932 ( 3500 PWs) bands (ev): -86.2880 -86.2880 6.9484 6.9484 7.9701 7.9701 8.3492 8.3492 8.7581 8.7581 9.3806 9.3806 10.2130 10.2130 10.4740 10.4740 10.8957 10.8957 11.4540 11.4540 11.8784 11.8784 12.0605 12.0605 13.1649 13.1649 13.8518 13.8518 18.7112 18.7112 20.9276 20.9276 23.4823 23.4823 k = 0.2084 0.7363 0.5965 ( 3496 PWs) bands (ev): -86.2880 -86.2880 6.9574 6.9574 7.9267 7.9267 8.3818 8.3818 8.7627 8.7627 9.3873 9.3873 10.2074 10.2074 10.4636 10.4636 10.8866 10.8866 11.4208 11.4208 11.9313 11.9313 12.0904 12.0904 13.1936 13.1936 13.8296 13.8296 18.6306 18.6306 20.9284 20.9284 23.4817 23.4817 k = 0.1923 0.7331 0.5999 ( 3500 PWs) bands (ev): -86.2880 -86.2880 6.9679 6.9679 7.8801 7.8801 8.4165 8.4165 8.7672 8.7672 9.3973 9.3973 10.2001 10.2001 10.4522 10.4522 10.8711 10.8711 11.3938 11.3938 11.9551 11.9551 12.1516 12.1516 13.2200 13.2200 13.8090 13.8090 18.5440 18.5440 20.9374 20.9374 23.4806 23.4806 k = 0.1763 0.7300 0.6033 ( 3499 PWs) bands (ev): -86.2880 -86.2880 6.9799 6.9799 7.8323 7.8323 8.4514 8.4514 8.7714 8.7714 9.4108 9.4108 10.1906 10.1906 10.4405 10.4405 10.8492 10.8492 11.3743 11.3743 11.9597 11.9597 12.2322 12.2322 13.2437 13.2437 13.7902 13.7902 18.4535 18.4535 20.9532 20.9532 23.4789 23.4789 k = 0.1603 0.7269 0.6067 ( 3500 PWs) bands (ev): -86.2880 -86.2880 6.9935 6.9935 7.7844 7.7844 8.4854 8.4854 8.7753 8.7753 9.4278 9.4278 10.1784 10.1784 10.4292 10.4292 10.8220 10.8220 11.3622 11.3622 11.9564 11.9564 12.3196 12.3196 13.2642 13.2642 13.7731 13.7731 18.3617 18.3617 20.9741 20.9741 23.4770 23.4770 k = 0.1442 0.7238 0.6101 ( 3505 PWs) bands (ev): -86.2880 -86.2880 7.0084 7.0084 7.7372 7.7372 8.5178 8.5178 8.7786 8.7786 9.4484 9.4484 10.1627 10.1627 10.4190 10.4190 10.7910 10.7910 11.3565 11.3565 11.9496 11.9496 12.4083 12.4083 13.2810 13.2810 13.7580 13.7580 18.2707 18.2707 20.9985 20.9985 23.4748 23.4748 k = 0.1282 0.7207 0.6135 ( 3503 PWs) bands (ev): -86.2880 -86.2880 7.0246 7.0246 7.6913 7.6913 8.5480 8.5480 8.7812 8.7812 9.4725 9.4725 10.1430 10.1430 10.4104 10.4104 10.7581 10.7581 11.3560 11.3560 11.9413 11.9413 12.4956 12.4956 13.2936 13.2936 13.7450 13.7450 18.1826 18.1826 21.0249 21.0249 23.4726 23.4726 k = 0.1122 0.7176 0.6169 ( 3505 PWs) bands (ev): -86.2880 -86.2880 7.0419 7.0419 7.6473 7.6473 8.5756 8.5756 8.7831 8.7831 9.5001 9.5001 10.1192 10.1192 10.4040 10.4040 10.7252 10.7252 11.3590 11.3590 11.9324 11.9324 12.5795 12.5795 13.3015 13.3015 13.7343 13.7343 18.0995 18.0995 21.0519 21.0519 23.4704 23.4704 k = 0.0962 0.7144 0.6202 ( 3502 PWs) bands (ev): -86.2880 -86.2880 7.0599 7.0599 7.6057 7.6057 8.6004 8.6004 8.7841 8.7841 9.5307 9.5307 10.0913 10.0913 10.3997 10.3997 10.6936 10.6936 11.3643 11.3643 11.9234 11.9234 12.6589 12.6589 13.3045 13.3045 13.7260 13.7260 18.0232 18.0232 21.0783 21.0783 23.4683 23.4683 k = 0.0801 0.7113 0.6236 ( 3500 PWs) bands (ev): -86.2880 -86.2880 7.0781 7.0781 7.5672 7.5672 8.6221 8.6221 8.7842 8.7842 9.5637 9.5637 10.0600 10.0600 10.3975 10.3975 10.6648 10.6648 11.3707 11.3707 11.9148 11.9148 12.7322 12.7322 13.3025 13.3025 13.7200 13.7200 17.9554 17.9554 21.1028 21.1028 23.4665 23.4665 k = 0.0641 0.7082 0.6270 ( 3496 PWs) bands (ev): -86.2880 -86.2880 7.0959 7.0959 7.5326 7.5326 8.6406 8.6406 8.7837 8.7837 9.5981 9.5981 10.0263 10.0263 10.3970 10.3970 10.6396 10.6396 11.3773 11.3773 11.9071 11.9071 12.7980 12.7980 13.2961 13.2961 13.7160 13.7160 17.8977 17.8977 21.1244 21.1244 23.4649 23.4649 k = 0.0481 0.7051 0.6304 ( 3495 PWs) bands (ev): -86.2880 -86.2880 7.1123 7.1123 7.5031 7.5031 8.6555 8.6555 8.7827 8.7827 9.6324 9.6324 9.9923 9.9923 10.3977 10.3977 10.6189 10.6189 11.3833 11.3833 11.9007 11.9007 12.8544 12.8544 13.2864 13.2864 13.7137 13.7137 17.8512 17.8512 21.1423 21.1423 23.4636 23.4636 k = 0.0321 0.7020 0.6338 ( 3498 PWs) bands (ev): -86.2880 -86.2880 7.1259 7.1259 7.4801 7.4801 8.6667 8.6667 8.7814 8.7814 9.6638 9.6638 9.9608 9.9608 10.3989 10.3989 10.6034 10.6034 11.3881 11.3881 11.8958 11.8958 12.8987 12.8987 13.2756 13.2756 13.7125 13.7125 17.8172 17.8172 21.1556 21.1556 23.4626 23.4626 k = 0.0160 0.6989 0.6372 ( 3498 PWs) bands (ev): -86.2880 -86.2880 7.1350 7.1350 7.4653 7.4653 8.6736 8.6736 8.7804 8.7804 9.6874 9.6874 9.9371 9.9371 10.3999 10.3999 10.5938 10.5938 11.3911 11.3911 11.8927 11.8927 12.9277 12.9277 13.2668 13.2668 13.7120 13.7120 17.7965 17.7965 21.1638 21.1638 23.4621 23.4621 k = 0.0000 0.6957 0.6406 ( 3500 PWs) bands (ev): -86.2880 -86.2880 7.1383 7.1383 7.4602 7.4602 8.6760 8.6760 8.7800 8.7800 9.6965 9.6965 9.9278 9.9278 10.4004 10.4004 10.5906 10.5906 11.3921 11.3921 11.8917 11.8917 12.9379 12.9379 13.2634 13.2634 13.7119 13.7119 17.7895 17.7895 21.1666 21.1666 23.4619 23.4619 k = 0.0000 0.6957 0.6406 ( 3500 PWs) bands (ev): -86.2880 -86.2880 7.1383 7.1383 7.4602 7.4602 8.6760 8.6760 8.7800 8.7800 9.6965 9.6965 9.9278 9.9278 10.4004 10.4004 10.5906 10.5906 11.3921 11.3921 11.8917 11.8917 12.9379 12.9379 13.2634 13.2634 13.7119 13.7119 17.7895 17.7895 21.1666 21.1666 23.4619 23.4619 k = 0.0046 0.6848 0.6524 ( 3502 PWs) bands (ev): -86.2880 -86.2880 7.1400 7.1400 7.4608 7.4608 8.6766 8.6766 8.7806 8.7806 9.6935 9.6935 9.9237 9.9237 10.4026 10.4026 10.5931 10.5931 11.3867 11.3867 11.8922 11.8922 12.9445 12.9445 13.2661 13.2661 13.7130 13.7130 17.7897 17.7897 21.1670 21.1670 23.4550 23.4550 k = 0.0093 0.6739 0.6643 ( 3504 PWs) bands (ev): -86.2880 -86.2880 7.1450 7.1450 7.4625 7.4625 8.6784 8.6784 8.7822 8.7822 9.6846 9.6846 9.9116 9.9116 10.4091 10.4091 10.6002 10.6002 11.3710 11.3710 11.8938 11.8938 12.9635 12.9635 13.2746 13.2746 13.7164 13.7164 17.7902 17.7902 21.1684 21.1684 23.4346 23.4346 k = 0.0139 0.6630 0.6761 ( 3504 PWs) bands (ev): -86.2880 -86.2880 7.1534 7.1534 7.4654 7.4654 8.6812 8.6812 8.7849 8.7849 9.6701 9.6701 9.8927 9.8927 10.4190 10.4190 10.6113 10.6113 11.3467 11.3467 11.8961 11.8961 12.9932 12.9932 13.2893 13.2893 13.7221 13.7221 17.7910 17.7910 21.1707 21.1707 23.4016 23.4016 k = 0.0185 0.6520 0.6880 ( 3508 PWs) bands (ev): -86.2880 -86.2880 7.1651 7.1651 7.4695 7.4695 8.6847 8.6847 8.7889 8.7889 9.6505 9.6505 9.8684 9.8684 10.4311 10.4311 10.6250 10.6250 11.3162 11.3162 11.8990 11.8990 13.0307 13.0307 13.3111 13.3111 13.7307 13.7307 17.7921 17.7921 21.1739 21.1739 23.3572 23.3572 k = 0.0231 0.6411 0.6999 ( 3506 PWs) bands (ev): -86.2880 -86.2880 7.1800 7.1800 7.4745 7.4745 8.6887 8.6887 8.7942 8.7942 9.6266 9.6266 9.8404 9.8404 10.4439 10.4439 10.6401 10.6401 11.2823 11.2823 11.9023 11.9023 13.0725 13.0725 13.3413 13.3413 13.7427 13.7427 17.7936 17.7936 21.1779 21.1779 23.3027 23.3027 k = 0.0278 0.6302 0.7117 ( 3502 PWs) bands (ev): -86.2880 -86.2880 7.1980 7.1980 7.4806 7.4806 8.6928 8.6928 8.8008 8.8008 9.5989 9.5989 9.8102 9.8102 10.4557 10.4557 10.6552 10.6552 11.2478 11.2478 11.9060 11.9060 13.1153 13.1153 13.3806 13.3806 13.7590 13.7590 17.7954 17.7954 21.1828 21.1828 23.2393 23.2393 k = 0.0324 0.6193 0.7236 ( 3504 PWs) bands (ev): -86.2880 -86.2880 7.2191 7.2191 7.4876 7.4876 8.6964 8.6964 8.8088 8.8088 9.5682 9.5682 9.7793 9.7793 10.4646 10.4646 10.6697 10.6697 11.2156 11.2156 11.9101 11.9101 13.1562 13.1562 13.4282 13.4282 13.7814 13.7814 17.7975 17.7975 21.1885 21.1885 23.1683 23.1683 k = 0.0370 0.6084 0.7355 ( 3508 PWs) bands (ev): -86.2880 -86.2880 7.2431 7.2431 7.4954 7.4954 8.6993 8.6993 8.8180 8.8180 9.5349 9.5349 9.7492 9.7492 10.4684 10.4684 10.6831 10.6831 11.1884 11.1884 11.9147 11.9147 13.1944 13.1944 13.4814 13.4814 13.8123 13.8123 17.7999 17.7999 21.1950 21.1950 23.0907 23.0907 k = 0.0417 0.5974 0.7473 ( 3506 PWs) bands (ev): -86.2880 -86.2880 7.2698 7.2698 7.5039 7.5039 8.7009 8.7009 8.8280 8.8280 9.4997 9.4997 9.7210 9.7210 10.4648 10.4648 10.6959 10.6959 11.1679 11.1679 11.9200 11.9200 13.2302 13.2302 13.5351 13.5351 13.8552 13.8552 17.8027 17.8027 21.2023 21.2023 23.0075 23.0075 k = 0.0463 0.5865 0.7592 ( 3504 PWs) bands (ev): -86.2880 -86.2880 7.2991 7.2991 7.5131 7.5131 8.7011 8.7011 8.8383 8.8383 9.4634 9.4634 9.6959 9.6959 10.4525 10.4525 10.7088 10.7088 11.1552 11.1552 11.9261 11.9261 13.2645 13.2645 13.5842 13.5842 13.9133 13.9133 17.8058 17.8058 21.2102 21.2102 22.9197 22.9197 k = 0.0509 0.5756 0.7710 ( 3506 PWs) bands (ev): -86.2880 -86.2880 7.3308 7.3308 7.5229 7.5229 8.6995 8.6995 8.8479 8.8479 9.4265 9.4265 9.6750 9.6750 10.4310 10.4310 10.7223 10.7223 11.1501 11.1501 11.9331 11.9331 13.2982 13.2982 13.6258 13.6258 13.9875 13.9875 17.8093 17.8093 21.2186 21.2186 22.8280 22.8280 k = 0.0556 0.5647 0.7829 ( 3504 PWs) bands (ev): -86.2880 -86.2880 7.3646 7.3646 7.5331 7.5331 8.6960 8.6960 8.8561 8.8561 9.3900 9.3900 9.6595 9.6595 10.4016 10.4016 10.7366 10.7366 11.1518 11.1518 11.9412 11.9412 13.3322 13.3322 13.6601 13.6601 14.0764 14.0764 17.8131 17.8131 21.2277 21.2277 22.7332 22.7332 k = 0.0602 0.5538 0.7948 ( 3508 PWs) bands (ev): -86.2880 -86.2880 7.4001 7.4001 7.5438 7.5438 8.6902 8.6902 8.8616 8.8616 9.3547 9.3547 9.6501 9.6501 10.3662 10.3662 10.7513 10.7513 11.1590 11.1590 11.9503 11.9503 13.3668 13.3668 13.6891 13.6891 14.1767 14.1767 17.8173 17.8173 21.2371 21.2371 22.6360 22.6360 k = 0.0648 0.5428 0.8066 ( 3502 PWs) bands (ev): -86.2880 -86.2880 7.4370 7.4370 7.5549 7.5549 8.6819 8.6819 8.8634 8.8634 9.3213 9.3213 9.6476 9.6476 10.3271 10.3271 10.7659 10.7659 11.1706 11.1706 11.9604 11.9604 13.4023 13.4023 13.7147 13.7147 14.2859 14.2859 17.8219 17.8219 21.2469 21.2469 22.5370 22.5370 k = 0.0694 0.5319 0.8185 ( 3496 PWs) bands (ev): -86.2880 -86.2880 7.4746 7.4746 7.5665 7.5665 8.6708 8.6708 8.8607 8.8607 9.2907 9.2907 9.6526 9.6526 10.2865 10.2865 10.7799 10.7799 11.1856 11.1856 11.9716 11.9716 13.4388 13.4388 13.7385 13.7385 14.4017 14.4017 17.8269 17.8269 21.2568 21.2568 22.4365 22.4365 k = 0.0741 0.5210 0.8304 ( 3498 PWs) bands (ev): -86.2880 -86.2880 7.5120 7.5120 7.5792 7.5792 8.6569 8.6569 8.8530 8.8530 9.2634 9.2634 9.6650 9.6650 10.2463 10.2463 10.7928 10.7928 11.2032 11.2032 11.9838 11.9838 13.4765 13.4765 13.7613 13.7613 14.5226 14.5226 17.8324 17.8324 21.2668 21.2668 22.3352 22.3352 k = 0.0787 0.5101 0.8422 ( 3498 PWs) bands (ev): -86.2880 -86.2880 7.5470 7.5470 7.5945 7.5945 8.6398 8.6398 8.8404 8.8404 9.2396 9.2396 9.6844 9.6844 10.2085 10.2085 10.8046 10.8046 11.2229 11.2229 11.9968 11.9968 13.5152 13.5152 13.7841 13.7841 14.6478 14.6478 17.8384 17.8384 21.2765 21.2765 22.2335 22.2335 k = 0.0833 0.4991 0.8541 ( 3496 PWs) bands (ev): -86.2880 -86.2880 7.5749 7.5749 7.6166 7.6166 8.6196 8.6196 8.8234 8.8234 9.2195 9.2195 9.7098 9.7098 10.1750 10.1750 10.8149 10.8149 11.2445 11.2445 12.0106 12.0106 13.5549 13.5549 13.8071 13.8071 14.7763 14.7763 17.8449 17.8449 21.2859 21.2859 22.1316 22.1316 k = 0.0880 0.4882 0.8659 ( 3496 PWs) bands (ev): -86.2880 -86.2880 7.5931 7.5931 7.6473 7.6473 8.5961 8.5961 8.8029 8.8029 9.2030 9.2030 9.7393 9.7393 10.1480 10.1480 10.8240 10.8240 11.2677 11.2677 12.0250 12.0250 13.5953 13.5953 13.8307 13.8307 14.9078 14.9078 17.8520 17.8520 21.2944 21.2944 22.0299 22.0299 k = 0.0926 0.4773 0.8778 ( 3498 PWs) bands (ev): -86.2880 -86.2880 7.6060 7.6060 7.6815 7.6815 8.5695 8.5695 8.7799 8.7799 9.1898 9.1898 9.7704 9.7704 10.1302 10.1302 10.8319 10.8319 11.2923 11.2923 12.0398 12.0398 13.6364 13.6364 13.8554 13.8554 15.0417 15.0417 17.8597 17.8597 21.3017 21.3017 21.9288 21.9288 k = 0.0972 0.4664 0.8897 ( 3498 PWs) bands (ev): -86.2880 -86.2880 7.6168 7.6168 7.7154 7.7154 8.5400 8.5400 8.7552 8.7552 9.1799 9.1799 9.7994 9.7994 10.1248 10.1248 10.8389 10.8389 11.3182 11.3182 12.0550 12.0550 13.6777 13.6777 13.8813 13.8813 15.1777 15.1777 17.8681 17.8681 21.3072 21.3072 21.8285 21.8285 k = 0.1019 0.4555 0.9015 ( 3500 PWs) bands (ev): -86.2880 -86.2880 7.6264 7.6264 7.7473 7.7473 8.5079 8.5079 8.7295 8.7295 9.1732 9.1732 9.8230 9.8230 10.1349 10.1349 10.8454 10.8454 11.3455 11.3455 12.0704 12.0704 13.7190 13.7190 13.9087 13.9087 15.3156 15.3156 17.8773 17.8773 21.3101 21.3101 21.7294 21.7294 k = 0.1065 0.4445 0.9134 ( 3502 PWs) bands (ev): -86.2880 -86.2880 7.6351 7.6351 7.7762 7.7762 8.4736 8.4736 8.7033 8.7033 9.1699 9.1699 9.8392 9.8392 10.1615 10.1615 10.8519 10.8519 11.3741 11.3741 12.0859 12.0859 13.7600 13.7600 13.9381 13.9381 15.4550 15.4550 17.8874 17.8874 21.3092 21.3092 21.6319 21.6319 k = 0.1111 0.4336 0.9253 ( 3508 PWs) bands (ev): -86.2880 -86.2880 7.6431 7.6431 7.8013 7.8013 8.4376 8.4376 8.6766 8.6766 9.1703 9.1703 9.8493 9.8493 10.2027 10.2027 10.8590 10.8590 11.4040 11.4040 12.1013 12.1013 13.8002 13.8002 13.9696 13.9696 15.5958 15.5958 17.8984 17.8984 21.3027 21.3027 21.5370 21.5370 k = 0.1157 0.4227 0.9371 ( 3506 PWs) bands (ev): -86.2880 -86.2880 7.6503 7.6503 7.8222 7.8222 8.4004 8.4004 8.6495 8.6495 9.1747 9.1747 9.8559 9.8559 10.2545 10.2545 10.8677 10.8677 11.4353 11.4353 12.1166 12.1166 13.8394 13.8394 14.0036 14.0036 15.7377 15.7377 17.9106 17.9106 21.2872 21.2872 21.4466 21.4466 k = 0.1204 0.4118 0.9490 ( 3510 PWs) bands (ev): -86.2879 -86.2879 7.6566 7.6566 7.8385 7.8385 8.3625 8.3625 8.6219 8.6219 9.1835 9.1835 9.8616 9.8616 10.3127 10.3127 10.8789 10.8789 11.4681 11.4681 12.1318 12.1318 13.8773 13.8773 14.0401 14.0401 15.8805 15.8805 17.9239 17.9239 21.2554 21.2554 21.3663 21.3663 k = 0.1250 0.4009 0.9608 ( 3506 PWs) bands (ev): -86.2879 -86.2879 7.6622 7.6622 7.8501 7.8501 8.3242 8.3242 8.5936 8.5936 9.1966 9.1966 9.8681 9.8681 10.3735 10.3735 10.8943 10.8943 11.5023 11.5023 12.1468 12.1468 13.9138 13.9138 14.0791 14.0791 16.0239 16.0239 17.9386 17.9386 21.1970 21.1970 21.3038 21.3038 k = 0.1296 0.3899 0.9727 ( 3506 PWs) bands (ev): -86.2879 -86.2879 7.6670 7.6670 7.8571 7.8571 8.2861 8.2861 8.5646 8.5646 9.2142 9.2142 9.8765 9.8765 10.4335 10.4335 10.9157 10.9157 11.5383 11.5383 12.1615 12.1615 13.9492 13.9492 14.1204 14.1204 16.1678 16.1678 17.9549 17.9549 21.1175 21.1175 21.2511 21.2511 k = 0.1343 0.3790 0.9846 ( 3504 PWs) bands (ev): -86.2879 -86.2879 7.6709 7.6709 7.8597 7.8597 8.2483 8.2483 8.5348 8.5348 9.2359 9.2359 9.8870 9.8870 10.4892 10.4892 10.9454 10.9454 11.5761 11.5761 12.1760 12.1760 13.9836 13.9836 14.1637 14.1637 16.3118 16.3118 17.9728 17.9728 21.0292 21.0292 21.1930 21.1930 k = 0.1389 0.3681 0.9964 ( 3510 PWs) bands (ev): -86.2879 -86.2879 7.6738 7.6738 7.8583 7.8583 8.2112 8.2112 8.5044 8.5044 9.2612 9.2612 9.8999 9.8999 10.5376 10.5376 10.9854 10.9854 11.6157 11.6157 12.1903 12.1903 14.0176 14.0176 14.2085 14.2085 16.4556 16.4556 17.9926 17.9926 20.9368 20.9368 21.1228 21.1228 k = 0.1435 0.3572 1.0083 ( 3506 PWs) bands (ev): -86.2879 -86.2879 7.6758 7.6758 7.8535 7.8535 8.1751 8.1751 8.4736 8.4736 9.2894 9.2894 9.9150 9.9150 10.5771 10.5771 11.0369 11.0369 11.6575 11.6575 12.2044 12.2044 14.0513 14.0513 14.2544 14.2544 16.5987 16.5987 18.0146 18.0146 20.8403 20.8403 21.0396 21.0396 k = 0.1481 0.3462 1.0201 ( 3506 PWs) bands (ev): -86.2879 -86.2879 7.6768 7.6768 7.8457 7.8457 8.1402 8.1402 8.4425 8.4425 9.3199 9.3199 9.9322 9.9322 10.6073 10.6073 11.0992 11.0992 11.7014 11.7014 12.2183 12.2183 14.0851 14.0851 14.3011 14.3011 16.7407 16.7407 18.0391 18.0391 20.7377 20.7377 20.9465 20.9465 k = 0.1528 0.3353 1.0320 ( 3504 PWs) bands (ev): -86.2879 -86.2879 7.6768 7.6768 7.8354 7.8354 8.1066 8.1066 8.4115 8.4115 9.3519 9.3519 9.9512 9.9512 10.6295 10.6295 11.1706 11.1706 11.7476 11.7476 12.2321 12.2321 14.1193 14.1193 14.3484 14.3484 16.8809 16.8809 18.0664 18.0664 20.6259 20.6259 20.8496 20.8496 k = 0.1574 0.3244 1.0439 ( 3504 PWs) bands (ev): -86.2879 -86.2879 7.6757 7.6757 7.8232 7.8232 8.0747 8.0747 8.3808 8.3808 9.3847 9.3847 9.9717 9.9717 10.6454 10.6454 11.2485 11.2485 11.7960 11.7960 12.2460 12.2460 14.1542 14.1542 14.3958 14.3958 17.0184 17.0184 18.0969 18.0969 20.5025 20.5025 20.7551 20.7551 k = 0.1620 0.3135 1.0557 ( 3514 PWs) bands (ev): -86.2879 -86.2879 7.6736 7.6736 7.8093 7.8093 8.0444 8.0444 8.3507 8.3507 9.4175 9.4175 9.9935 9.9935 10.6566 10.6566 11.3307 11.3307 11.8467 11.8467 12.2601 12.2601 14.1900 14.1900 14.4433 14.4433 17.1520 17.1520 18.1312 18.1312 20.3681 20.3681 20.6667 20.6667 k = 0.1667 0.3026 1.0676 ( 3510 PWs) bands (ev): -86.2879 -86.2879 7.6705 7.6705 7.7943 7.7943 8.0159 8.0159 8.3215 8.3215 9.4499 9.4499 10.0163 10.0163 10.6643 10.6643 11.4151 11.4151 11.8994 11.8994 12.2747 12.2747 14.2269 14.2269 14.4906 14.4906 17.2804 17.2804 18.1700 18.1700 20.2263 20.2263 20.5849 20.5849 k = 0.1713 0.2916 1.0795 ( 3512 PWs) bands (ev): -86.2879 -86.2879 7.6663 7.6663 7.7785 7.7785 7.9893 7.9893 8.2934 8.2934 9.4814 9.4814 10.0399 10.0399 10.6694 10.6694 11.5001 11.5001 11.9540 11.9540 12.2898 12.2898 14.2651 14.2651 14.5376 14.5376 17.4015 17.4015 18.2139 18.2139 20.0816 20.0816 20.5092 20.5092 k = 0.1759 0.2807 1.0913 ( 3510 PWs) bands (ev): -86.2879 -86.2879 7.6612 7.6612 7.7622 7.7622 7.9645 7.9645 8.2667 8.2667 9.5116 9.5116 10.0641 10.0641 10.6724 10.6724 11.5839 11.5839 12.0101 12.0101 12.3060 12.3060 14.3047 14.3047 14.5841 14.5841 17.5127 17.5127 18.2638 18.2638 19.9390 19.9390 20.4389 20.4389 k = 0.1806 0.2698 1.1032 ( 3502 PWs) bands (ev): -86.2879 -86.2879 7.6552 7.6552 7.7456 7.7456 7.9416 7.9416 8.2415 8.2415 9.5401 9.5401 10.0885 10.0885 10.6737 10.6737 11.6654 11.6654 12.0673 12.0673 12.3235 12.3235 14.3458 14.3458 14.6302 14.6302 17.6111 17.6111 18.3202 18.3202 19.8032 19.8032 20.3733 20.3733 k = 0.1852 0.2589 1.1150 ( 3498 PWs) bands (ev): -86.2879 -86.2879 7.6485 7.6485 7.7292 7.7292 7.9204 7.9204 8.2179 8.2179 9.5669 9.5669 10.1132 10.1132 10.6735 10.6735 11.7429 11.7429 12.1251 12.1251 12.3429 12.3429 14.3885 14.3885 14.6756 14.6756 17.6932 17.6932 18.3828 18.3828 19.6796 19.6796 20.3121 20.3121 k = 0.1898 0.2480 1.1269 ( 3502 PWs) bands (ev): -86.2879 -86.2879 7.6412 7.6412 7.7130 7.7130 7.9010 7.9010 8.1962 8.1962 9.5917 9.5917 10.1378 10.1378 10.6720 10.6720 11.8152 11.8152 12.1830 12.1830 12.3646 12.3646 14.4328 14.4328 14.7204 14.7204 17.7559 17.7559 18.4504 18.4504 19.5742 19.5742 20.2554 20.2554 k = 0.1944 0.2370 1.1388 ( 3500 PWs) bands (ev): -86.2879 -86.2879 7.6334 7.6334 7.6975 7.6975 7.8831 7.8831 8.1763 8.1763 9.6146 9.6146 10.1624 10.1624 10.6691 10.6691 11.8811 11.8811 12.2404 12.2404 12.3892 12.3892 14.4786 14.4786 14.7644 14.7644 17.7961 17.7961 18.5202 18.5202 19.4936 19.4936 20.2032 20.2032 k = 0.1991 0.2261 1.1506 ( 3502 PWs) bands (ev): -86.2879 -86.2879 7.6254 7.6254 7.6827 7.6827 7.8668 7.8668 8.1583 8.1583 9.6353 9.6353 10.1866 10.1866 10.6652 10.6652 11.9393 11.9393 12.2967 12.2967 12.4169 12.4169 14.5255 14.5255 14.8078 14.8078 17.8115 17.8115 18.5888 18.5888 19.4439 19.4439 20.1559 20.1559 k = 0.2037 0.2152 1.1625 ( 3504 PWs) bands (ev): -86.2879 -86.2879 7.6171 7.6171 7.6689 7.6689 7.8518 7.8518 8.1421 8.1421 9.6540 9.6540 10.2103 10.2103 10.6601 10.6601 11.9892 11.9892 12.3513 12.3513 12.4475 12.4475 14.5732 14.5732 14.8506 14.8506 17.8014 17.8014 18.6539 18.6539 19.4282 19.4282 20.1141 20.1141 k = 0.2083 0.2043 1.1744 ( 3500 PWs) bands (ev): -86.2879 -86.2879 7.6090 7.6090 7.6563 7.6563 7.8382 7.8382 8.1279 8.1279 9.6707 9.6707 10.2335 10.2335 10.6540 10.6540 12.0308 12.0308 12.4038 12.4038 12.4802 12.4802 14.6208 14.6208 14.8927 14.8927 17.7671 17.7671 18.7157 18.7157 19.4440 19.4440 20.0791 20.0791 k = 0.2130 0.1933 1.1862 ( 3496 PWs) bands (ev): -86.2879 -86.2879 7.6009 7.6009 7.6449 7.6449 7.8260 7.8260 8.1154 8.1154 9.6854 9.6854 10.2559 10.2559 10.6471 10.6471 12.0645 12.0645 12.4534 12.4534 12.5140 12.5140 14.6675 14.6675 14.9344 14.9344 17.7129 17.7129 18.7766 18.7766 19.4829 19.4829 20.0528 20.0528 k = 0.2176 0.1824 1.1981 ( 3498 PWs) bands (ev): -86.2879 -86.2879 7.5933 7.5933 7.6349 7.6349 7.8150 7.8150 8.1047 8.1047 9.6982 9.6982 10.2773 10.2773 10.6395 10.6395 12.0913 12.0913 12.4996 12.4996 12.5472 12.5472 14.7120 14.7120 14.9755 14.9755 17.6448 17.6448 18.8393 18.8393 19.5320 19.5320 20.0390 20.0390 k = 0.2222 0.1715 1.2099 ( 3506 PWs) bands (ev): -86.2879 -86.2879 7.5862 7.5862 7.6264 7.6264 7.8054 7.8054 8.0956 8.0956 9.7091 9.7091 10.2974 10.2974 10.6314 10.6314 12.1121 12.1121 12.5417 12.5417 12.5786 12.5786 14.7531 14.7531 15.0158 15.0158 17.5694 17.5694 18.9052 18.9052 19.5769 19.5769 20.0426 20.0426 k = 0.2269 0.1606 1.2218 ( 3508 PWs) bands (ev): -86.2879 -86.2879 7.5799 7.5799 7.6192 7.6192 7.7972 7.7972 8.0881 8.0881 9.7182 9.7182 10.3158 10.3158 10.6232 10.6232 12.1282 12.1282 12.5788 12.5788 12.6067 12.6067 14.7894 14.7894 15.0546 15.0546 17.4931 17.4931 18.9745 18.9745 19.6055 19.6055 20.0674 20.0674 k = 0.2315 0.1497 1.2337 ( 3510 PWs) bands (ev): -86.2879 -86.2879 7.5744 7.5744 7.6134 7.6134 7.7904 7.7904 8.0821 8.0821 9.7255 9.7255 10.3321 10.3321 10.6153 10.6153 12.1403 12.1403 12.6103 12.6103 12.6307 12.6307 14.8201 14.8201 15.0908 15.0908 17.4216 17.4216 19.0457 19.0457 19.6123 19.6123 20.1107 20.1107 k = 0.2361 0.1387 1.2455 ( 3514 PWs) bands (ev): -86.2879 -86.2879 7.5700 7.5700 7.6089 7.6089 7.7850 7.7850 8.0775 8.0775 9.7312 9.7312 10.3459 10.3459 10.6082 10.6082 12.1491 12.1491 12.6357 12.6357 12.6498 12.6498 14.8443 14.8443 15.1223 15.1223 17.3601 17.3601 19.1160 19.1160 19.6004 19.6004 20.1625 20.1625 k = 0.2407 0.1278 1.2574 ( 3512 PWs) bands (ev): -86.2879 -86.2879 7.5668 7.5668 7.6057 7.6057 7.7811 7.7811 8.0742 8.0742 9.7352 9.7352 10.3563 10.3563 10.6024 10.6024 12.1550 12.1550 12.6546 12.6546 12.6634 12.6634 14.8617 14.8617 15.1472 15.1472 17.3127 17.3127 19.1804 19.1804 19.5769 19.5769 20.2099 20.2099 k = 0.2454 0.1169 1.2693 ( 3510 PWs) bands (ev): -86.2879 -86.2879 7.5649 7.5649 7.6038 7.6038 7.7788 7.7788 8.0723 8.0723 9.7376 9.7376 10.3629 10.3629 10.5986 10.5986 12.1585 12.1585 12.6666 12.6666 12.6710 12.6710 14.8722 14.8722 15.1631 15.1631 17.2827 17.2827 19.2294 19.2294 19.5523 19.5523 20.2423 20.2423 k = 0.2500 0.1060 1.2811 ( 3504 PWs) bands (ev): -86.2879 -86.2879 7.5642 7.5642 7.6032 7.6032 7.7780 7.7780 8.0717 8.0717 9.7384 9.7384 10.3652 10.3652 10.5973 10.5973 12.1596 12.1596 12.6713 12.6713 12.6730 12.6730 14.8757 14.8757 15.1686 15.1686 17.2725 17.2725 19.2488 19.2488 19.5411 19.5411 20.2537 20.2537 k = 0.2500 0.1060 1.2811 ( 3504 PWs) bands (ev): -86.2879 -86.2879 7.5642 7.5642 7.6032 7.6032 7.7780 7.7780 8.0717 8.0717 9.7384 9.7384 10.3652 10.3652 10.5973 10.5973 12.1596 12.1596 12.6713 12.6713 12.6730 12.6730 14.8757 14.8757 15.1686 15.1686 17.2725 17.2725 19.2488 19.2488 19.5411 19.5411 20.2537 20.2537 k = 0.2639 0.1119 1.2747 ( 3504 PWs) bands (ev): -86.2879 -86.2879 7.5595 7.5595 7.6077 7.6077 7.7761 7.7761 8.0762 8.0762 9.7327 9.7327 10.3573 10.3573 10.6103 10.6103 12.1596 12.1596 12.6686 12.6686 12.6751 12.6751 14.8316 14.8316 15.2131 15.2131 17.2739 17.2739 19.2456 19.2456 19.5274 19.5274 20.2515 20.2515 k = 0.2778 0.1178 1.2683 ( 3510 PWs) bands (ev): -86.2879 -86.2879 7.5493 7.5493 7.6170 7.6170 7.7711 7.7711 8.0888 8.0888 9.7157 9.7157 10.3378 10.3378 10.6453 10.6453 12.1596 12.1596 12.6641 12.6641 12.6777 12.6777 14.7414 14.7414 15.3041 15.3041 17.2781 17.2781 19.2306 19.2306 19.4937 19.4937 20.2478 20.2478 k = 0.2917 0.1236 1.2619 ( 3513 PWs) bands (ev): -86.2879 -86.2879 7.5377 7.5377 7.6270 7.6270 7.7646 7.7646 8.1084 8.1084 9.6880 9.6880 10.3143 10.3143 10.6937 10.6937 12.1597 12.1597 12.6585 12.6585 12.6800 12.6800 14.6401 14.6401 15.4063 15.4063 17.2850 17.2850 19.1912 19.1912 19.4589 19.4589 20.2458 20.2458 k = 0.3056 0.1295 1.2555 ( 3517 PWs) bands (ev): -86.2879 -86.2879 7.5259 7.5259 7.6356 7.6356 7.7584 7.7584 8.1338 8.1338 9.6509 9.6509 10.2913 10.2913 10.7499 10.7499 12.1598 12.1598 12.6517 12.6517 12.6819 12.6819 14.5381 14.5381 15.5090 15.5090 17.2943 17.2943 19.1181 19.1181 19.4408 19.4408 20.2463 20.2463 k = 0.3194 0.1354 1.2491 ( 3513 PWs) bands (ev): -86.2879 -86.2879 7.5146 7.5146 7.6412 7.6412 7.7545 7.7545 8.1636 8.1636 9.6059 9.6059 10.2706 10.2706 10.8105 10.8105 12.1599 12.1599 12.6433 12.6433 12.6833 12.6833 14.4390 14.4390 15.6085 15.6085 17.3054 17.3054 19.0166 19.0166 19.4411 19.4411 20.2491 20.2491 k = 0.3333 0.1413 1.2427 ( 3508 PWs) bands (ev): -86.2879 -86.2879 7.5040 7.5040 7.6428 7.6428 7.7545 7.7545 8.1971 8.1971 9.5547 9.5547 10.2524 10.2524 10.8736 10.8736 12.1598 12.1598 12.6333 12.6333 12.6842 12.6842 14.3448 14.3448 15.7026 15.7026 17.3172 17.3172 18.8992 18.8992 19.4534 19.4534 20.2541 20.2541 k = 0.3472 0.1472 1.2364 ( 3506 PWs) bands (ev): -86.2879 -86.2879 7.4944 7.4944 7.6405 7.6405 7.7588 7.7588 8.2333 8.2333 9.4989 9.4989 10.2365 10.2365 10.9375 10.9375 12.1593 12.1593 12.6214 12.6214 12.6845 12.6845 14.2567 14.2567 15.7903 15.7903 17.3281 17.3281 18.7757 18.7757 19.4727 19.4727 20.2614 20.2614 k = 0.3611 0.1531 1.2300 ( 3506 PWs) bands (ev): -86.2879 -86.2879 7.4858 7.4858 7.6353 7.6353 7.7666 7.7666 8.2719 8.2719 9.4398 9.4398 10.2228 10.2228 11.0011 11.0011 12.1584 12.1584 12.6073 12.6073 12.6842 12.6842 14.1761 14.1761 15.8707 15.8707 17.3352 17.3352 18.6535 18.6535 19.4960 19.4960 20.2714 20.2714 k = 0.3750 0.1590 1.2236 ( 3508 PWs) bands (ev): -86.2879 -86.2879 7.4784 7.4784 7.6285 7.6285 7.7765 7.7765 8.3122 8.3122 9.3787 9.3787 10.2108 10.2108 11.0634 11.0634 12.1566 12.1566 12.5909 12.5909 12.6832 12.6832 14.1040 14.1040 15.9431 15.9431 17.3345 17.3345 18.5396 18.5396 19.5217 19.5217 20.2847 20.2847 k = 0.3889 0.1649 1.2172 ( 3507 PWs) bands (ev): -86.2879 -86.2879 7.4722 7.4722 7.6213 7.6213 7.7877 7.7877 8.3538 8.3538 9.3164 9.3164 10.2004 10.2004 11.1232 11.1232 12.1539 12.1539 12.5721 12.5721 12.6815 12.6815 14.0415 14.0415 16.0073 16.0073 17.3206 17.3206 18.4408 18.4408 19.5482 19.5482 20.3019 20.3019 k = 0.4028 0.1707 1.2108 ( 3507 PWs) bands (ev): -86.2879 -86.2879 7.4673 7.4673 7.6144 7.6144 7.7993 7.7993 8.3964 8.3964 9.2539 9.2539 10.1914 10.1914 11.1797 11.1797 12.1498 12.1498 12.5508 12.5508 12.6789 12.6789 13.9896 13.9896 16.0630 16.0630 17.2876 17.2876 18.3641 18.3641 19.5744 19.5744 20.3238 20.3238 k = 0.4167 0.1766 1.2044 ( 3512 PWs) bands (ev): -86.2879 -86.2879 7.4637 7.4637 7.6083 7.6083 7.8108 7.8108 8.4394 8.4394 9.1921 9.1921 10.1839 10.1839 11.2316 11.2316 12.1440 12.1440 12.5275 12.5275 12.6754 12.6754 13.9493 13.9493 16.1102 16.1102 17.2313 17.2313 18.3143 18.3143 19.5992 19.5992 20.3509 20.3509 k = 0.4306 0.1825 1.1980 ( 3510 PWs) bands (ev): -86.2879 -86.2879 7.4616 7.4616 7.6034 7.6034 7.8217 7.8217 8.4822 8.4822 9.1318 9.1318 10.1778 10.1778 11.2781 11.2781 12.1363 12.1363 12.5025 12.5025 12.6710 12.6710 13.9211 13.9211 16.1487 16.1487 17.1514 17.1514 18.2923 18.2923 19.6218 19.6218 20.3835 20.3835 k = 0.4444 0.1884 1.1916 ( 3522 PWs) bands (ev): -86.2879 -86.2879 7.4608 7.4608 7.5998 7.5998 7.8318 7.8318 8.5238 8.5238 9.0742 9.0742 10.1732 10.1732 11.3178 11.3178 12.1265 12.1265 12.4766 12.4766 12.6657 12.6657 13.9056 13.9056 16.1778 16.1778 17.0520 17.0520 18.2949 18.2949 19.6417 19.6417 20.4215 20.4215 k = 0.4583 0.1943 1.1852 ( 3522 PWs) bands (ev): -86.2879 -86.2879 7.4615 7.4615 7.5977 7.5977 7.8409 7.8409 8.5627 8.5627 9.0210 9.0210 10.1701 10.1701 11.3496 11.3496 12.1147 12.1147 12.4508 12.4508 12.6593 12.6593 13.9029 13.9029 16.1960 16.1960 16.9403 16.9403 18.3167 18.3167 19.6586 19.6586 20.4645 20.4645 k = 0.4722 0.2002 1.1788 ( 3516 PWs) bands (ev): -86.2879 -86.2879 7.4637 7.4637 7.5972 7.5972 7.8486 7.8486 8.5963 8.5963 8.9749 8.9749 10.1685 10.1685 11.3721 11.3721 12.1012 12.1012 12.4258 12.4258 12.6519 12.6519 13.9128 13.9128 16.2000 16.2000 16.8254 16.8254 18.3520 18.3520 19.6727 19.6727 20.5116 20.5116 k = 0.4861 0.2061 1.1724 ( 3518 PWs) bands (ev): -86.2879 -86.2879 7.4674 7.4674 7.5983 7.5983 7.8550 7.8550 8.6201 8.6201 8.9406 8.9406 10.1686 10.1686 11.3843 11.3843 12.0867 12.0867 12.4025 12.4025 12.6435 12.6435 13.9350 13.9350 16.1831 16.1831 16.7186 16.7186 18.3965 18.3965 19.6844 19.6844 20.5613 20.5613 k = 0.5000 0.2120 1.1660 ( 3512 PWs) bands (ev): -86.2879 -86.2879 7.4725 7.4725 7.6011 7.6011 7.8598 7.8598 8.6281 8.6281 8.9242 8.9242 10.1703 10.1703 11.3852 11.3852 12.0725 12.0725 12.3811 12.3811 12.6341 12.6341 13.9689 13.9689 16.1359 16.1359 16.6330 16.6330 18.4465 18.4465 19.6943 19.6943 20.6120 20.6120 k = 0.5000 0.2120 1.1660 ( 3512 PWs) bands (ev): -86.2879 -86.2879 7.4725 7.4725 7.6011 7.6011 7.8598 7.8598 8.6281 8.6281 8.9242 8.9242 10.1703 10.1703 11.3852 11.3852 12.0725 12.0725 12.3811 12.3811 12.6341 12.6341 13.9689 13.9689 16.1359 16.1359 16.6330 16.6330 18.4465 18.4465 19.6943 19.6943 20.6120 20.6120 k = 0.5000 0.2120 1.1491 ( 3512 PWs) bands (ev): -86.2879 -86.2879 7.4892 7.4892 7.6113 7.6113 7.8708 7.8708 8.6233 8.6233 8.9086 8.9086 10.1771 10.1771 11.3705 11.3705 12.0309 12.0309 12.3321 12.3321 12.6063 12.6063 14.0751 14.0751 15.9638 15.9638 16.4416 16.4416 18.5797 18.5797 19.7220 19.7220 20.7433 20.7433 k = 0.5000 0.2120 1.1322 ( 3516 PWs) bands (ev): -86.2879 -86.2879 7.5079 7.5079 7.6228 7.6228 7.8830 7.8830 8.6169 8.6169 8.8929 8.8929 10.1838 10.1838 11.3519 11.3519 11.9799 11.9799 12.2934 12.2934 12.5754 12.5754 14.1835 14.1835 15.7925 15.7925 16.2454 16.2454 18.7040 18.7040 19.7565 19.7565 20.8672 20.8672 k = 0.5000 0.2120 1.1153 ( 3512 PWs) bands (ev): -86.2879 -86.2879 7.5287 7.5287 7.6356 7.6356 7.8961 7.8961 8.6085 8.6085 8.8780 8.8780 10.1903 10.1903 11.3287 11.3287 11.9226 11.9226 12.2629 12.2629 12.5417 12.5417 14.2935 14.2935 15.6227 15.6227 16.0467 16.0467 18.8177 18.8177 19.7989 19.7989 20.9821 20.9821 k = 0.5000 0.2120 1.0984 ( 3512 PWs) bands (ev): -86.2879 -86.2879 7.5515 7.5515 7.6496 7.6496 7.9100 7.9100 8.5980 8.5980 8.8646 8.8646 10.1963 10.1963 11.3001 11.3001 11.8629 11.8629 12.2381 12.2381 12.5054 12.5054 14.4040 14.4040 15.4553 15.4553 15.8474 15.8474 18.9197 18.9197 19.8500 19.8500 21.0870 21.0870 k = 0.5000 0.2120 1.0815 ( 3510 PWs) bands (ev): -86.2879 -86.2879 7.5761 7.5761 7.6649 7.6649 7.9244 7.9244 8.5851 8.5851 8.8533 8.8533 10.2015 10.2015 11.2651 11.2651 11.8040 11.8040 12.2165 12.2165 12.4669 12.4669 14.5135 14.5135 15.2915 15.2915 15.6489 15.6489 19.0090 19.0090 19.9104 19.9104 21.1812 21.1812 k = 0.5000 0.2120 1.0646 ( 3516 PWs) bands (ev): -86.2879 -86.2879 7.6024 7.6024 7.6813 7.6813 7.9389 7.9389 8.5699 8.5699 8.8444 8.8444 10.2057 10.2057 11.2231 11.2231 11.7482 11.7482 12.1962 12.1962 12.4269 12.4269 14.6184 14.6184 15.1346 15.1346 15.4528 15.4528 19.0854 19.0854 19.9802 19.9802 21.2642 21.2642 k = 0.5000 0.2120 1.0477 ( 3510 PWs) bands (ev): -86.2879 -86.2879 7.6303 7.6303 7.6990 7.6990 7.9532 7.9532 8.5528 8.5528 8.8382 8.8382 10.2087 10.2087 11.1739 11.1739 11.6967 11.6967 12.1760 12.1760 12.3857 12.3857 14.7043 14.7043 14.9971 14.9971 15.2621 15.2621 19.1494 19.1494 20.0587 20.0587 21.3360 21.3360 k = 0.5000 0.2120 1.0308 ( 3506 PWs) bands (ev): -86.2879 -86.2879 7.6594 7.6594 7.7178 7.7178 7.9668 7.9668 8.5345 8.5345 8.8346 8.8346 10.2102 10.2102 11.1181 11.1181 11.6499 11.6499 12.1544 12.1544 12.3444 12.3444 14.7061 14.7061 14.9300 14.9300 15.0920 15.0920 19.2023 19.2023 20.1448 20.1448 21.3970 21.3970 k = 0.5000 0.2120 1.0139 ( 3506 PWs) bands (ev): -86.2879 -86.2879 7.6894 7.6894 7.7380 7.7380 7.9791 7.9791 8.5158 8.5158 8.8336 8.8336 10.2100 10.2100 11.0565 11.0565 11.6070 11.6070 12.1301 12.1301 12.3041 12.3041 14.5952 14.5952 14.8410 14.8410 15.0641 15.0641 19.2456 19.2456 20.2371 20.2371 21.4484 21.4484 k = 0.5000 0.2120 0.9970 ( 3500 PWs) bands (ev): -86.2879 -86.2879 7.7193 7.7193 7.7600 7.7600 7.9897 7.9897 8.4977 8.4977 8.8350 8.8350 10.2079 10.2079 10.9905 10.9905 11.5671 11.5671 12.1017 12.1017 12.2662 12.2662 14.4558 14.4558 14.6707 14.6707 15.1545 15.1545 19.2811 19.2811 20.3343 20.3343 21.4917 21.4917 k = 0.5000 0.2120 0.9801 ( 3500 PWs) bands (ev): -86.2879 -86.2879 7.7479 7.7479 7.7847 7.7847 7.9979 7.9979 8.4812 8.4812 8.8385 8.8385 10.2036 10.2036 10.9213 10.9213 11.5289 11.5289 12.0677 12.0677 12.2322 12.2322 14.3133 14.3133 14.4945 14.4945 15.2633 15.2633 19.3101 19.3101 20.4352 20.4352 21.5286 21.5286 k = 0.5000 0.2120 0.9632 ( 3504 PWs) bands (ev): -86.2879 -86.2879 7.7731 7.7731 7.8131 7.8131 8.0035 8.0035 8.4673 8.4673 8.8440 8.8440 10.1968 10.1968 10.8503 10.8503 11.4914 11.4914 12.0275 12.0275 12.2029 12.2029 14.1729 14.1729 14.3213 14.3213 15.3770 15.3770 19.3340 19.3340 20.5390 20.5390 21.5603 21.5603 k = 0.5000 0.2120 0.9463 ( 3496 PWs) bands (ev): -86.2879 -86.2879 7.7942 7.7942 7.8451 7.8451 8.0067 8.0067 8.4566 8.4566 8.8515 8.8515 10.1871 10.1871 10.7788 10.7788 11.4535 11.4535 11.9814 11.9814 12.1782 12.1782 14.0361 14.0361 14.1535 14.1535 15.4928 15.4928 19.3537 19.3537 20.6449 20.6449 21.5879 21.5879 k = 0.5000 0.2120 0.9294 ( 3496 PWs) bands (ev): -86.2879 -86.2879 7.8107 7.8107 7.8793 7.8793 8.0084 8.0084 8.4495 8.4495 8.8610 8.8610 10.1741 10.1741 10.7079 10.7079 11.4143 11.4143 11.9305 11.9305 12.1573 12.1573 13.9023 13.9023 13.9930 13.9930 15.6095 15.6095 19.3701 19.3701 20.7526 20.7526 21.6121 21.6121 k = 0.5000 0.2120 0.9125 ( 3496 PWs) bands (ev): -86.2879 -86.2879 7.8212 7.8212 7.9144 7.9144 8.0110 8.0110 8.4460 8.4460 8.8723 8.8723 10.1573 10.1573 10.6386 10.6386 11.3734 11.3734 11.8760 11.8760 12.1392 12.1392 13.7687 13.7687 13.8439 13.8439 15.7267 15.7267 19.3838 19.3838 20.8616 20.8616 21.6335 21.6335 k = 0.5000 0.2120 0.8956 ( 3488 PWs) bands (ev): -86.2879 -86.2879 7.8239 7.8239 7.9492 7.9492 8.0176 8.0176 8.4454 8.4454 8.8855 8.8855 10.1360 10.1360 10.5720 10.5720 11.3303 11.3303 11.8188 11.8188 12.1234 12.1234 13.6309 13.6309 13.7114 13.7114 15.8440 15.8440 19.3953 19.3953 20.9719 20.9719 21.6524 21.6524 k = 0.5000 0.2120 0.8787 ( 3496 PWs) bands (ev): -86.2879 -86.2879 7.8172 7.8172 7.9820 7.9820 8.0315 8.0315 8.4471 8.4471 8.9007 8.9007 10.1096 10.1096 10.5091 10.5091 11.2847 11.2847 11.7598 11.7598 12.1096 12.1096 13.4890 13.4890 13.5957 13.5957 15.9613 15.9613 19.4051 19.4051 21.0830 21.0830 21.6693 21.6693 k = 0.5000 0.2120 0.8618 ( 3500 PWs) bands (ev): -86.2879 -86.2879 7.8014 7.8014 8.0112 8.0112 8.0544 8.0544 8.4499 8.4499 8.9179 8.9179 10.0777 10.0777 10.4508 10.4508 11.2367 11.2367 11.6999 11.6999 12.0973 12.0973 13.3475 13.3475 13.4926 13.4926 16.0784 16.0784 19.4134 19.4134 21.1945 21.1945 21.6846 21.6846 k = 0.5000 0.2120 0.8449 ( 3500 PWs) bands (ev): -86.2879 -86.2879 7.7779 7.7779 8.0375 8.0375 8.0842 8.0842 8.4530 8.4530 8.9369 8.9369 10.0399 10.0399 10.3975 10.3975 11.1866 11.1866 11.6397 11.6397 12.0865 12.0865 13.2089 13.2089 13.3995 13.3995 16.1953 16.1953 19.4206 19.4206 21.3054 21.3054 21.6989 21.6989 k = 0.5000 0.2120 0.8280 ( 3500 PWs) bands (ev): -86.2880 -86.2880 7.7487 7.7487 8.0629 8.0629 8.1171 8.1171 8.4556 8.4556 8.9576 8.9576 9.9966 9.9966 10.3491 10.3491 11.1348 11.1348 11.5800 11.5800 12.0770 12.0770 13.0745 13.0745 13.3152 13.3152 16.3117 16.3117 19.4270 19.4270 21.4134 21.4134 21.7145 21.7145 k = 0.5000 0.2120 0.8111 ( 3508 PWs) bands (ev): -86.2880 -86.2880 7.7153 7.7153 8.0883 8.0883 8.1506 8.1506 8.4569 8.4569 8.9797 8.9797 9.9489 9.9489 10.3052 10.3052 11.0821 11.0821 11.5215 11.5215 12.0686 12.0686 12.9446 12.9446 13.2389 13.2389 16.4277 16.4277 19.4326 19.4326 21.5126 21.5126 21.7370 21.7370 k = 0.5000 0.2120 0.7942 ( 3504 PWs) bands (ev): -86.2880 -86.2880 7.6786 7.6786 8.1136 8.1136 8.1834 8.1834 8.4565 8.4565 9.0027 9.0027 9.8981 9.8981 10.2647 10.2647 11.0294 11.0294 11.4646 11.4646 12.0614 12.0614 12.8195 12.8195 13.1699 13.1699 16.5432 16.5432 19.4378 19.4378 21.5879 21.5879 21.7811 21.7811 k = 0.5000 0.2120 0.7773 ( 3502 PWs) bands (ev): -86.2880 -86.2880 7.6396 7.6396 8.1379 8.1379 8.2148 8.2148 8.4545 8.4545 9.0258 9.0258 9.8462 9.8462 10.2266 10.2266 10.9778 10.9778 11.4099 11.4099 12.0551 12.0551 12.6994 12.6994 13.1077 13.1077 16.6580 16.6580 19.4427 19.4427 21.6253 21.6253 21.8603 21.8603 k = 0.5000 0.2120 0.7604 ( 3490 PWs) bands (ev): -86.2880 -86.2880 7.5986 7.5986 8.1602 8.1602 8.2442 8.2442 8.4511 8.4511 9.0480 9.0480 9.7948 9.7948 10.1901 10.1901 10.9284 10.9284 11.3579 11.3579 12.0494 12.0494 12.5844 12.5844 13.0515 13.0515 16.7722 16.7722 19.4475 19.4475 21.6352 21.6352 21.9638 21.9638 k = 0.5000 0.2120 0.7435 ( 3490 PWs) bands (ev): -86.2880 -86.2880 7.5562 7.5562 8.1786 8.1786 8.2713 8.2713 8.4476 8.4476 9.0678 9.0678 9.7461 9.7461 10.1547 10.1547 10.8823 10.8823 11.3087 11.3087 12.0441 12.0441 12.4749 12.4749 13.0008 13.0008 16.8856 16.8856 19.4524 19.4524 21.6308 21.6308 22.0780 22.0780 k = 0.5000 0.2120 0.7266 ( 3490 PWs) bands (ev): -86.2880 -86.2880 7.5126 7.5126 8.1906 8.1906 8.2959 8.2959 8.4455 8.4455 9.0835 9.0835 9.7021 9.7021 10.1203 10.1203 10.8404 10.8404 11.2628 11.2628 12.0386 12.0386 12.3712 12.3712 12.9550 12.9550 16.9983 16.9983 19.4574 19.4574 21.6172 21.6172 22.1970 22.1970 k = 0.5000 0.2120 0.7097 ( 3492 PWs) bands (ev): -86.2880 -86.2880 7.4681 7.4681 8.1931 8.1931 8.3178 8.3178 8.4474 8.4474 9.0928 9.0928 9.6652 9.6652 10.0871 10.0871 10.8034 10.8034 11.2203 11.2203 12.0316 12.0316 12.2747 12.2747 12.9136 12.9136 17.1101 17.1101 19.4626 19.4626 21.5965 21.5965 22.3185 22.3185 k = 0.5000 0.2120 0.6928 ( 3500 PWs) bands (ev): -86.2880 -86.2880 7.4227 7.4227 8.1838 8.1838 8.3370 8.3370 8.4550 8.4550 9.0936 9.0936 9.6374 9.6374 10.0558 10.0558 10.7716 10.7716 11.1814 11.1814 12.0196 12.0196 12.1886 12.1886 12.8760 12.8760 17.2209 17.2209 19.4684 19.4684 21.5691 21.5691 22.4412 22.4412 k = 0.5000 0.2120 0.6759 ( 3496 PWs) bands (ev): -86.2880 -86.2880 7.3767 7.3767 8.1621 8.1621 8.3532 8.3532 8.4690 8.4690 9.0843 9.0843 9.6196 9.6196 10.0272 10.0272 10.7454 10.7454 11.1463 11.1463 11.9933 11.9933 12.1225 12.1225 12.8417 12.8417 17.3309 17.3309 19.4746 19.4746 21.5353 21.5353 22.5646 22.5646 k = 0.5000 0.2120 0.6591 ( 3492 PWs) bands (ev): -86.2880 -86.2880 7.3302 7.3302 8.1287 8.1287 8.3660 8.3660 8.4886 8.4886 9.0647 9.0647 9.6112 9.6112 10.0026 10.0026 10.7245 10.7245 11.1153 11.1153 11.9416 11.9416 12.0871 12.0871 12.8106 12.8106 17.4397 17.4397 19.4816 19.4816 21.4953 21.4953 22.6880 22.6880 k = 0.5000 0.2120 0.6422 ( 3488 PWs) bands (ev): -86.2880 -86.2880 7.2831 7.2831 8.0853 8.0853 8.3752 8.3752 8.5125 8.5125 9.0360 9.0360 9.6097 9.6097 9.9835 9.9835 10.7086 10.7086 11.0885 11.0885 11.8740 11.8740 12.0731 12.0731 12.7821 12.7821 17.5475 17.5475 19.4893 19.4893 21.4490 21.4490 22.8109 22.8109 k = 0.5000 0.2120 0.6253 ( 3488 PWs) bands (ev): -86.2880 -86.2880 7.2358 7.2358 8.0335 8.0335 8.3809 8.3809 8.5395 8.5395 9.0003 9.0003 9.6116 9.6116 9.9718 9.9718 10.6973 10.6973 11.0660 11.0660 11.8034 11.8034 12.0676 12.0676 12.7560 12.7560 17.6542 17.6542 19.4978 19.4978 21.3968 21.3968 22.9327 22.9327 k = 0.5000 0.2120 0.6084 ( 3500 PWs) bands (ev): -86.2880 -86.2880 7.1881 7.1881 7.9746 7.9746 8.3833 8.3833 8.5683 8.5683 8.9596 8.9596 9.6129 9.6129 9.9692 9.9692 10.6899 10.6899 11.0481 11.0481 11.7348 11.7348 12.0655 12.0655 12.7321 12.7321 17.7596 17.7596 19.5074 19.5074 21.3387 21.3387 23.0531 23.0531 k = 0.5000 0.2120 0.5915 ( 3504 PWs) bands (ev): -86.2881 -86.2881 7.1401 7.1401 7.9097 7.9097 8.3826 8.3826 8.5983 8.5983 8.9157 8.9157 9.6107 9.6107 9.9766 9.9766 10.6856 10.6856 11.0349 11.0349 11.6701 11.6701 12.0651 12.0651 12.7102 12.7102 17.8637 17.8637 19.5179 19.5179 21.2752 21.2752 23.1713 23.1713 k = 0.5000 0.2120 0.5746 ( 3496 PWs) bands (ev): -86.2881 -86.2881 7.0920 7.0920 7.8398 7.8398 8.3792 8.3792 8.6289 8.6289 8.8701 8.8701 9.6035 9.6035 9.9941 9.9941 10.6836 10.6836 11.0265 11.0265 11.6102 11.6102 12.0657 12.0657 12.6902 12.6902 17.9665 17.9665 19.5297 19.5297 21.2065 21.2065 23.2870 23.2870 k = 0.5000 0.2120 0.5577 ( 3492 PWs) bands (ev): -86.2881 -86.2881 7.0438 7.0438 7.7660 7.7660 8.3735 8.3735 8.6597 8.6597 8.8236 8.8236 9.5913 9.5913 10.0203 10.0203 10.6829 10.6829 11.0233 11.0233 11.5557 11.5557 12.0668 12.0668 12.6718 12.6718 18.0677 18.0677 19.5426 19.5426 21.1332 21.1332 23.3994 23.3994 k = 0.5000 0.2120 0.5408 ( 3486 PWs) bands (ev): -86.2881 -86.2881 6.9956 6.9956 7.6890 7.6890 8.3657 8.3657 8.6898 8.6898 8.7774 8.7774 9.5750 9.5750 10.0534 10.0534 10.6825 10.6825 11.0252 11.0252 11.5068 11.5068 12.0682 12.0682 12.6551 12.6551 18.1673 18.1673 19.5568 19.5568 21.0559 21.0559 23.5081 23.5081 k = 0.5000 0.2120 0.5239 ( 3490 PWs) bands (ev): -86.2881 -86.2881 6.9474 6.9474 7.6096 7.6096 8.3561 8.3561 8.7132 8.7132 8.7379 8.7379 9.5556 9.5556 10.0914 10.0914 10.6817 10.6817 11.0322 11.0322 11.4640 11.4640 12.0698 12.0698 12.6399 12.6399 18.2652 18.2652 19.5723 19.5723 20.9750 20.9750 23.6124 23.6124 k = 0.5000 0.2120 0.5070 ( 3494 PWs) bands (ev): -86.2881 -86.2881 6.8994 6.8994 7.5287 7.5287 8.3452 8.3452 8.6810 8.6810 8.7539 8.7539 9.5340 9.5340 10.1327 10.1327 10.6798 10.6798 11.0443 11.0443 11.4274 11.4274 12.0713 12.0713 12.6263 12.6263 18.3612 18.3612 19.5891 19.5891 20.8913 20.8913 23.7118 23.7118 k = 0.5000 0.2120 0.4901 ( 3490 PWs) bands (ev): -86.2881 -86.2881 6.8515 6.8515 7.4468 7.4468 8.3332 8.3332 8.6367 8.6367 8.7821 8.7821 9.5111 9.5111 10.1758 10.1758 10.6766 10.6766 11.0611 11.0611 11.3973 11.3973 12.0727 12.0727 12.6142 12.6142 18.4551 18.4551 19.6074 19.6074 20.8055 20.8055 23.8058 23.8058 k = 0.5000 0.2120 0.4732 ( 3486 PWs) bands (ev): -86.2881 -86.2881 6.8040 6.8040 7.3645 7.3645 8.3204 8.3204 8.5926 8.5926 8.8099 8.8099 9.4873 9.4873 10.2193 10.2193 10.6724 10.6724 11.0821 11.0821 11.3736 11.3736 12.0739 12.0739 12.6036 12.6036 18.5466 18.5466 19.6270 19.6270 20.7183 20.7183 23.8940 23.8940 k = 0.5000 0.2120 0.4563 ( 3486 PWs) bands (ev): -86.2881 -86.2881 6.7569 6.7569 7.2824 7.2824 8.3070 8.3070 8.5496 8.5496 8.8368 8.8368 9.4632 9.4632 10.2618 10.2618 10.6680 10.6680 11.1067 11.1067 11.3561 11.3561 12.0747 12.0747 12.5944 12.5944 18.6355 18.6355 19.6481 19.6481 20.6307 20.6307 23.9761 23.9761 k = 0.5000 0.2120 0.4394 ( 3490 PWs) bands (ev): -86.2881 -86.2881 6.7103 6.7103 7.2010 7.2010 8.2933 8.2933 8.5077 8.5077 8.8622 8.8622 9.4391 9.4391 10.3014 10.3014 10.6650 10.6650 11.1342 11.1342 11.3444 11.3444 12.0750 12.0750 12.5868 12.5868 18.7212 18.7212 19.6704 19.6704 20.5435 20.5435 24.0517 24.0517 k = 0.5000 0.2120 0.4225 ( 3486 PWs) bands (ev): -86.2881 -86.2881 6.6643 6.6643 7.1205 7.1205 8.2794 8.2794 8.4671 8.4671 8.8861 8.8861 9.4153 9.4153 10.3361 10.3361 10.6656 10.6656 11.1640 11.1640 11.3382 11.3382 12.0747 12.0747 12.5808 12.5808 18.8032 18.8032 19.6939 19.6939 20.4579 20.4579 24.1209 24.1209 k = 0.5000 0.2120 0.4056 ( 3482 PWs) bands (ev): -86.2881 -86.2881 6.6190 6.6190 7.0414 7.0414 8.2656 8.2656 8.4279 8.4279 8.9081 8.9081 9.3922 9.3922 10.3633 10.3633 10.6726 10.6726 11.1955 11.1955 11.3367 11.3367 12.0737 12.0737 12.5763 12.5763 18.8809 18.8809 19.7183 19.7183 20.3754 20.3754 24.1835 24.1835 k = 0.5000 0.2120 0.3887 ( 3478 PWs) bands (ev): -86.2881 -86.2881 6.5745 6.5745 6.9640 6.9640 8.2519 8.2519 8.3902 8.3902 8.9280 8.9280 9.3701 9.3701 10.3810 10.3810 10.6882 10.6882 11.2280 11.2280 11.3394 11.3394 12.0719 12.0719 12.5734 12.5734 18.9534 18.9534 19.7431 19.7431 20.2976 20.2976 24.2397 24.2397 k = 0.5000 0.2120 0.3718 ( 3480 PWs) bands (ev): -86.2881 -86.2881 6.5310 6.5310 6.8886 6.8886 8.2384 8.2384 8.3541 8.3541 8.9456 8.9456 9.3493 9.3493 10.3888 10.3888 10.7133 10.7133 11.2610 11.2610 11.3457 11.3457 12.0691 12.0691 12.5721 12.5721 19.0192 19.0192 19.7674 19.7674 20.2269 20.2269 24.2896 24.2896 k = 0.5000 0.2120 0.3549 ( 3474 PWs) bands (ev): -86.2881 -86.2881 6.4885 6.4885 6.8154 6.8154 8.2251 8.2251 8.3197 8.3197 8.9607 8.9607 9.3300 9.3300 10.3882 10.3882 10.7466 10.7466 11.2941 11.2941 11.3549 11.3549 12.0655 12.0655 12.5724 12.5724 19.0767 19.0767 19.7899 19.7899 20.1669 20.1669 24.3336 24.3336 k = 0.5000 0.2120 0.3380 ( 3478 PWs) bands (ev): -86.2882 -86.2882 6.4472 6.4472 6.7446 6.7446 8.2120 8.2120 8.2873 8.2873 8.9729 8.9729 9.3126 9.3126 10.3815 10.3815 10.7861 10.7861 11.3268 11.3268 11.3665 11.3665 12.0607 12.0607 12.5742 12.5742 19.1239 19.1239 19.8085 19.8085 20.1218 20.1218 24.3719 24.3719 k = 0.5000 0.2120 0.3211 ( 3474 PWs) bands (ev): -86.2882 -86.2882 6.4071 6.4071 6.6764 6.6764 8.1986 8.1986 8.2572 8.2572 8.9821 8.9821 9.2973 9.2973 10.3710 10.3710 10.8297 10.8297 11.3586 11.3586 11.3802 11.3802 12.0549 12.0549 12.5774 12.5774 19.1580 19.1580 19.8212 19.8212 20.0962 20.0962 24.4048 24.4048 k = 0.5000 0.2120 0.3042 ( 3474 PWs) bands (ev): -86.2882 -86.2882 6.3684 6.3684 6.6109 6.6109 8.1843 8.1843 8.2305 8.2305 8.9882 8.9882 9.2841 9.2841 10.3585 10.3585 10.8760 10.8760 11.3878 11.3878 11.3969 11.3969 12.0480 12.0480 12.5820 12.5820 19.1767 19.1767 19.8289 19.8289 20.0921 20.0921 24.4327 24.4327 k = 0.5000 0.2120 0.2873 ( 3466 PWs) bands (ev): -86.2882 -86.2882 6.3312 6.3312 6.5484 6.5484 8.1676 8.1676 8.2083 8.2083 8.9912 8.9912 9.2733 9.2733 10.3451 10.3451 10.9237 10.9237 11.4082 11.4082 11.4222 11.4222 12.0399 12.0399 12.5878 12.5878 19.1786 19.1786 19.8356 19.8356 20.1065 20.1065 24.4561 24.4561 k = 0.5000 0.2120 0.2704 ( 3460 PWs) bands (ev): -86.2882 -86.2882 6.2956 6.2956 6.4889 6.4889 8.1479 8.1479 8.1916 8.1916 8.9912 8.9912 9.2647 9.2647 10.3316 10.3316 10.9722 10.9722 11.4252 11.4252 11.4501 11.4501 12.0306 12.0306 12.5947 12.5947 19.1644 19.1644 19.8462 19.8462 20.1341 20.1341 24.4752 24.4752 k = 0.5000 0.2120 0.2535 ( 3464 PWs) bands (ev): -86.2882 -86.2882 6.2616 6.2616 6.4326 6.4326 8.1262 8.1262 8.1791 8.1791 8.9886 8.9886 9.2580 9.2580 10.3185 10.3185 11.0210 11.0210 11.4419 11.4419 11.4770 11.4770 12.0202 12.0202 12.6026 12.6026 19.1366 19.1366 19.8628 19.8628 20.1700 20.1700 24.4905 24.4905 k = 0.5000 0.2120 0.2366 ( 3464 PWs) bands (ev): -86.2882 -86.2882 6.2294 6.2294 6.3795 6.3795 8.1043 8.1043 8.1693 8.1693 8.9838 8.9838 9.2530 9.2530 10.3063 10.3063 11.0697 11.0697 11.4586 11.4586 11.5023 11.5023 12.0086 12.0086 12.6112 12.6112 19.0990 19.0990 19.8846 19.8846 20.2112 20.2112 24.5024 24.5024 k = 0.5000 0.2120 0.2197 ( 3466 PWs) bands (ev): -86.2882 -86.2882 6.1991 6.1991 6.3298 6.3298 8.0830 8.0830 8.1612 8.1612 8.9774 8.9774 9.2492 9.2492 10.2950 10.2950 11.1180 11.1180 11.4749 11.4749 11.5259 11.5259 11.9959 11.9959 12.6203 12.6203 19.0552 19.0552 19.9102 19.9102 20.2553 20.2553 24.5112 24.5112 k = 0.5000 0.2120 0.2028 ( 3466 PWs) bands (ev): -86.2882 -86.2882 6.1707 6.1707 6.2834 6.2834 8.0629 8.0629 8.1542 8.1542 8.9698 8.9698 9.2464 9.2464 10.2848 10.2848 11.1656 11.1656 11.4909 11.4909 11.5477 11.5477 11.9820 11.9820 12.6299 12.6299 19.0081 19.0081 19.9378 19.9378 20.3009 20.3009 24.5174 24.5174 k = 0.5000 0.2120 0.1859 ( 3478 PWs) bands (ev): -86.2882 -86.2882 6.1442 6.1442 6.2406 6.2406 8.0441 8.0441 8.1483 8.1483 8.9615 8.9615 9.2441 9.2441 10.2757 10.2757 11.2123 11.2123 11.5061 11.5061 11.5676 11.5676 11.9671 11.9671 12.6396 12.6396 18.9601 18.9601 19.9660 19.9660 20.3467 20.3467 24.5212 24.5212 k = 0.5000 0.2120 0.1690 ( 3478 PWs) bands (ev): -86.2882 -86.2882 6.1199 6.1199 6.2012 6.2012 8.0269 8.0269 8.1432 8.1432 8.9529 8.9529 9.2422 9.2422 10.2679 10.2679 11.2579 11.2579 11.5206 11.5206 11.5856 11.5856 11.9510 11.9510 12.6492 12.6492 18.9128 18.9128 19.9939 19.9939 20.3917 20.3917 24.5231 24.5231 k = 0.5000 0.2120 0.1521 ( 3474 PWs) bands (ev): -86.2882 -86.2882 6.0977 6.0977 6.1655 6.1655 8.0112 8.0112 8.1388 8.1388 8.9444 8.9444 9.2405 9.2405 10.2611 10.2611 11.3023 11.3023 11.5341 11.5341 11.6016 11.6016 11.9340 11.9340 12.6586 12.6586 18.8676 18.8676 20.0207 20.0207 20.4351 20.4351 24.5235 24.5235 k = 0.5000 0.2120 0.1352 ( 3470 PWs) bands (ev): -86.2882 -86.2882 6.0777 6.0777 6.1334 6.1334 7.9970 7.9970 8.1351 8.1351 8.9362 8.9362 9.2390 9.2390 10.2553 10.2553 11.3452 11.3452 11.5465 11.5465 11.6157 11.6157 11.9161 11.9161 12.6676 12.6676 18.8253 18.8253 20.0458 20.0458 20.4760 20.4760 24.5227 24.5227 k = 0.5000 0.2120 0.1183 ( 3470 PWs) bands (ev): -86.2882 -86.2882 6.0599 6.0599 6.1050 6.1050 7.9845 7.9845 8.1319 8.1319 8.9286 8.9286 9.2375 9.2375 10.2505 10.2505 11.3864 11.3864 11.5578 11.5578 11.6278 11.6278 11.8974 11.8974 12.6760 12.6760 18.7867 18.7867 20.0689 20.0689 20.5137 20.5137 24.5210 24.5210 k = 0.5000 0.2120 0.1014 ( 3470 PWs) bands (ev): -86.2882 -86.2882 6.0444 6.0444 6.0803 6.0803 7.9737 7.9737 8.1293 8.1293 8.9216 8.9216 9.2361 9.2361 10.2466 10.2466 11.4256 11.4256 11.5678 11.5678 11.6378 11.6378 11.8783 11.8783 12.6836 12.6836 18.7523 18.7523 20.0896 20.0896 20.5477 20.5477 24.5188 24.5188 k = 0.5000 0.2120 0.0845 ( 3474 PWs) bands (ev): -86.2882 -86.2882 6.0313 6.0313 6.0593 6.0593 7.9644 7.9644 8.1272 8.1272 8.9156 8.9156 9.2348 9.2348 10.2435 10.2435 11.4625 11.4625 11.5766 11.5766 11.6457 11.6457 11.8589 11.8589 12.6903 12.6903 18.7225 18.7225 20.1076 20.1076 20.5775 20.5775 24.5163 24.5163 k = 0.5000 0.2120 0.0676 ( 3482 PWs) bands (ev): -86.2882 -86.2882 6.0205 6.0205 6.0421 6.0421 7.9569 7.9569 8.1255 8.1255 8.9105 8.9105 9.2337 9.2337 10.2410 10.2410 11.4964 11.4964 11.5842 11.5842 11.6513 11.6513 11.8400 11.8400 12.6959 12.6959 18.6978 18.6978 20.1226 20.1226 20.6024 20.6024 24.5139 24.5139 k = 0.5000 0.2120 0.0507 ( 3486 PWs) bands (ev): -86.2882 -86.2882 6.0122 6.0122 6.0286 6.0286 7.9510 7.9510 8.1242 8.1242 8.9065 8.9065 9.2328 9.2328 10.2392 10.2392 11.5263 11.5263 11.5908 11.5908 11.6543 11.6543 11.8225 11.8225 12.7004 12.7004 18.6783 18.6783 20.1345 20.1345 20.6223 20.6223 24.5118 24.5118 k = 0.5000 0.2120 0.0338 ( 3486 PWs) bands (ev): -86.2882 -86.2882 6.0063 6.0063 6.0189 6.0189 7.9468 7.9468 8.1233 8.1233 8.9035 8.9035 9.2321 9.2321 10.2380 10.2380 11.5503 11.5503 11.5968 11.5968 11.6546 11.6546 11.8079 11.8079 12.7037 12.7037 18.6642 18.6642 20.1431 20.1431 20.6367 20.6367 24.5101 24.5101 k = 0.5000 0.2120 0.0169 ( 3490 PWs) bands (ev): -86.2882 -86.2882 6.0028 6.0028 6.0130 6.0130 7.9443 7.9443 8.1228 8.1228 8.9018 8.9018 9.2317 9.2317 10.2373 10.2373 11.5658 11.5658 11.6024 11.6024 11.6530 11.6530 11.7979 11.7979 12.7057 12.7057 18.6557 18.6557 20.1483 20.1483 20.6454 20.6454 24.5091 24.5091 k = 0.5000 0.2120 0.0000 ( 3490 PWs) bands (ev): -86.2882 -86.2882 6.0017 6.0017 6.0110 6.0110 7.9434 7.9434 8.1226 8.1226 8.9012 8.9012 9.2315 9.2315 10.2370 10.2370 11.5710 11.5710 11.6052 11.6052 11.6517 11.6517 11.7943 11.7943 12.7063 12.7063 18.6529 18.6529 20.1501 20.1501 20.6483 20.6483 24.5087 24.5087 k = 0.0000 0.0000 1.2811 ( 3528 PWs) bands (ev): -86.2879 -86.2879 7.4195 7.4195 7.5705 7.5705 7.8223 7.8223 8.6362 8.6362 8.9843 8.9843 10.1419 10.1419 11.4260 11.4260 12.1652 12.1652 12.7259 12.7259 12.7306 12.7306 13.4855 13.4855 17.1338 17.1338 17.4623 17.4623 17.5433 17.5433 19.6435 19.6435 19.9244 19.9244 k = 0.0147 0.0062 1.2811 ( 3524 PWs) bands (ev): -86.2879 -86.2879 7.4201 7.4201 7.5713 7.5713 7.8214 7.8214 8.6259 8.6259 8.9959 8.9959 10.1428 10.1428 11.4199 11.4199 12.1654 12.1654 12.7255 12.7255 12.7288 12.7288 13.4946 13.4946 17.1132 17.1132 17.3899 17.3899 17.6364 17.6364 19.6366 19.6366 19.9310 19.9310 k = 0.0294 0.0125 1.2811 ( 3528 PWs) bands (ev): -86.2879 -86.2879 7.4221 7.4221 7.5738 7.5738 7.8187 7.8187 8.5985 8.5985 9.0271 9.0271 10.1454 10.1454 11.4020 11.4020 12.1662 12.1662 12.7232 12.7232 12.7250 12.7250 13.5214 13.5214 17.0462 17.0462 17.3247 17.3247 17.7691 17.7691 19.6179 19.6179 19.9490 19.9490 k = 0.0441 0.0187 1.2811 ( 3524 PWs) bands (ev): -86.2879 -86.2879 7.4254 7.4254 7.5779 7.5779 7.8143 7.8143 8.5603 8.5603 9.0716 9.0716 10.1499 10.1499 11.3729 11.3729 12.1672 12.1672 12.7158 12.7158 12.7233 12.7233 13.5644 13.5644 16.9397 16.9397 17.2933 17.2933 17.9077 17.9077 19.5911 19.5911 19.9745 19.9745 k = 0.0588 0.0249 1.2811 ( 3512 PWs) bands (ev): -86.2879 -86.2879 7.4299 7.4299 7.5835 7.5835 7.8084 7.8084 8.5166 8.5166 9.1241 9.1241 10.1560 10.1560 11.3339 11.3339 12.1682 12.1682 12.7070 12.7070 12.7213 12.7213 13.6215 13.6215 16.8133 16.8133 17.2796 17.2796 18.0487 18.0487 19.5599 19.5599 20.0040 20.0040 k = 0.0735 0.0312 1.2811 ( 3512 PWs) bands (ev): -86.2879 -86.2879 7.4357 7.4357 7.5905 7.5905 7.8010 7.8010 8.4703 8.4703 9.1814 9.1814 10.1638 10.1638 11.2863 11.2863 12.1691 12.1691 12.6980 12.6980 12.7187 12.7187 13.6907 13.6907 16.6788 16.6788 17.2733 17.2733 18.1904 18.1904 19.5267 19.5267 20.0351 20.0351 k = 0.0882 0.0374 1.2811 ( 3510 PWs) bands (ev): -86.2879 -86.2879 7.4428 7.4428 7.5987 7.5987 7.7926 7.7926 8.4234 8.4234 9.2415 9.2415 10.1731 10.1731 11.2317 11.2317 12.1695 12.1695 12.6896 12.6896 12.7157 12.7157 13.7701 13.7701 16.5409 16.5409 17.2704 17.2704 18.3319 18.3319 19.4932 19.4932 20.0664 20.0664 k = 0.1029 0.0436 1.2811 ( 3510 PWs) bands (ev): -86.2879 -86.2879 7.4510 7.4510 7.6079 7.6079 7.7833 7.7833 8.3767 8.3767 9.3031 9.3031 10.1840 10.1840 11.1714 11.1714 12.1696 12.1696 12.6821 12.6821 12.7123 12.7123 13.8580 13.8580 16.4016 16.4016 17.2691 17.2691 18.4725 18.4725 19.4606 19.4606 20.0966 20.0966 k = 0.1176 0.0499 1.2811 ( 3510 PWs) bands (ev): -86.2879 -86.2879 7.4603 7.4603 7.6176 7.6176 7.7737 7.7737 8.3312 8.3312 9.3652 9.3652 10.1963 10.1963 11.1068 11.1068 12.1691 12.1691 12.6760 12.6760 12.7086 12.7086 13.9530 13.9530 16.2620 16.2620 17.2687 17.2687 18.6113 18.6113 19.4297 19.4297 20.1252 20.1252 k = 0.1324 0.0561 1.2811 ( 3506 PWs) bands (ev): -86.2879 -86.2879 7.4707 7.4707 7.6270 7.6270 7.7646 7.7646 8.2872 8.2872 9.4267 9.4267 10.2103 10.2103 11.0394 11.0394 12.1683 12.1683 12.6712 12.6712 12.7046 12.7046 14.0539 14.0539 16.1227 16.1227 17.2688 17.2688 18.7475 18.7475 19.4015 19.4015 20.1516 20.1516 k = 0.1471 0.0623 1.2811 ( 3518 PWs) bands (ev): -86.2879 -86.2879 7.4821 7.4821 7.6350 7.6350 7.7570 7.7570 8.2453 8.2453 9.4866 9.4866 10.2259 10.2259 10.9702 10.9702 12.1671 12.1671 12.6677 12.6677 12.7004 12.7004 14.1598 14.1598 15.9841 15.9841 17.2693 17.2693 18.8796 18.8796 19.3768 19.3768 20.1754 20.1754 k = 0.1618 0.0686 1.2811 ( 3516 PWs) bands (ev): -86.2879 -86.2879 7.4943 7.4943 7.6400 7.6400 7.7525 7.7525 8.2060 8.2060 9.5438 9.5438 10.2435 10.2435 10.9006 10.9006 12.1657 12.1657 12.6656 12.6656 12.6961 12.6961 14.2698 14.2698 15.8467 15.8467 17.2699 17.2699 19.0050 19.0050 19.3574 19.3574 20.1964 20.1964 k = 0.1765 0.0748 1.2811 ( 3516 PWs) bands (ev): -86.2879 -86.2879 7.5072 7.5072 7.6406 7.6406 7.7522 7.7522 8.1699 8.1699 9.5968 9.5968 10.2633 10.2633 10.8320 10.8320 12.1642 12.1642 12.6645 12.6645 12.6917 12.6917 14.3830 14.3830 15.7109 15.7109 17.2706 17.2706 19.1183 19.1183 19.3471 19.3471 20.2143 20.2143 k = 0.1912 0.0810 1.2811 ( 3514 PWs) bands (ev): -86.2879 -86.2879 7.5207 7.5207 7.6364 7.6364 7.7563 7.7563 8.1378 8.1378 9.6439 9.6439 10.2855 10.2855 10.7659 10.7659 12.1628 12.1628 12.6645 12.6645 12.6874 12.6874 14.4983 14.4983 15.5774 15.5774 17.2712 17.2712 19.2043 19.2043 19.3585 19.3585 20.2289 20.2289 k = 0.2059 0.0873 1.2811 ( 3514 PWs) bands (ev): -86.2879 -86.2879 7.5344 7.5344 7.6282 7.6282 7.7632 7.7632 8.1105 8.1105 9.6833 9.6833 10.3099 10.3099 10.7045 10.7045 12.1615 12.1615 12.6653 12.6653 12.6832 12.6832 14.6143 14.6143 15.4475 15.4475 17.2717 17.2717 19.2420 19.2420 19.4088 19.4088 20.2401 20.2401 k = 0.2206 0.0935 1.2811 ( 3498 PWs) bands (ev): -86.2879 -86.2879 7.5477 7.5477 7.6179 7.6179 7.7706 7.7706 8.0895 8.0895 9.7132 9.7132 10.3349 10.3349 10.6514 10.6514 12.1605 12.1605 12.6669 12.6669 12.6793 12.6793 14.7275 14.7275 15.3246 15.3246 17.2722 17.2722 19.2493 19.2493 19.4740 19.4740 20.2479 20.2479 k = 0.2353 0.0997 1.2811 ( 3498 PWs) bands (ev): -86.2879 -86.2879 7.5591 7.5591 7.6079 7.6079 7.7761 7.7761 8.0761 8.0761 9.7319 9.7319 10.3561 10.3561 10.6125 10.6125 12.1599 12.1599 12.6692 12.6692 12.6756 12.6756 14.8274 14.8274 15.2188 15.2188 17.2724 17.2724 19.2493 19.2493 19.5230 19.5230 20.2523 20.2523 k = 0.2500 0.1060 1.2811 ( 3504 PWs) bands (ev): -86.2879 -86.2879 7.5642 7.5642 7.6032 7.6032 7.7780 7.7780 8.0717 8.0717 9.7384 9.7384 10.3652 10.3652 10.5973 10.5973 12.1596 12.1596 12.6713 12.6713 12.6730 12.6730 14.8757 14.8757 15.1686 15.1686 17.2725 17.2725 19.2488 19.2488 19.5411 19.5411 20.2537 20.2537 Writing output data file BeAu2.save init_run : 0.38s CPU 0.55s WALL ( 1 calls) electrons : 220.49s CPU 223.13s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.07s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 220.48s CPU 223.12s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 459 calls) cegterg : 200.49s CPU 202.51s WALL ( 610 calls) Called by sum_band: Called by *egterg: h_psi : 164.54s CPU 166.97s WALL ( 10166 calls) s_psi : 2.70s CPU 2.65s WALL ( 10166 calls) g_psi : 0.24s CPU 0.21s WALL ( 9097 calls) cdiaghg : 38.64s CPU 38.45s WALL ( 9556 calls) cegterg:over : 4.32s CPU 4.20s WALL ( 9097 calls) cegterg:upda : 3.26s CPU 3.38s WALL ( 9097 calls) cegterg:last : 2.28s CPU 2.26s WALL ( 1995 calls) cdiaghg:chol : 2.17s CPU 2.17s WALL ( 9556 calls) cdiaghg:inve : 0.91s CPU 0.97s WALL ( 9556 calls) cdiaghg:para : 2.40s CPU 2.31s WALL ( 19112 calls) Called by h_psi: h_psi:vloc : 157.63s CPU 160.05s WALL ( 10166 calls) h_psi:vnl : 6.69s CPU 6.74s WALL ( 10166 calls) add_vuspsi : 3.44s CPU 3.49s WALL ( 10166 calls) General routines calbec : 3.23s CPU 3.23s WALL ( 10166 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 141.12s CPU 143.13s WALL ( 847792 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.15s CPU 0.24s WALL ( 918 calls) Parallel routines fft_scatter : 42.36s CPU 43.43s WALL ( 847815 calls) PWSCF : 3m55.28s CPU 4m26.09s WALL This run was terminated on: 13:34:52 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=