Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:56: 0 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: ./NbN.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P 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 23 14 4 465 209 36 Max 24 15 5 471 225 41 Sum 859 511 163 16889 7799 1363 bravais-lattice index = 14 lattice parameter (alat) = 6.2830 a.u. unit-cell volume = 175.3817 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.282991 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Nb read from file: /users/gautes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1227 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Nb 13.00 92.90640 Nb( 1.00) N 5.00 14.00670 N( 1.00) 12 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 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 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 442 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022624 k( 2) = ( 0.0074627 -0.0043086 0.0060933), wk = 0.0022624 k( 3) = ( 0.0149254 -0.0086172 0.0121865), wk = 0.0022624 k( 4) = ( 0.0223881 -0.0129258 0.0182798), wk = 0.0022624 k( 5) = ( 0.0298507 -0.0172343 0.0243730), wk = 0.0022624 k( 6) = ( 0.0373134 -0.0215429 0.0304663), wk = 0.0022624 k( 7) = ( 0.0447761 -0.0258515 0.0365595), wk = 0.0022624 k( 8) = ( 0.0522388 -0.0301601 0.0426528), wk = 0.0022624 k( 9) = ( 0.0597015 -0.0344687 0.0487461), wk = 0.0022624 k( 10) = ( 0.0671642 -0.0387773 0.0548393), wk = 0.0022624 k( 11) = ( 0.0746269 -0.0430858 0.0609326), wk = 0.0022624 k( 12) = ( 0.0820895 -0.0473944 0.0670258), wk = 0.0022624 k( 13) = ( 0.0895522 -0.0517030 0.0731191), wk = 0.0022624 k( 14) = ( 0.0970149 -0.0560116 0.0792124), wk = 0.0022624 k( 15) = ( 0.1044776 -0.0603202 0.0853056), wk = 0.0022624 k( 16) = ( 0.1119403 -0.0646288 0.0913989), wk = 0.0022624 k( 17) = ( 0.1194030 -0.0689373 0.0974921), wk = 0.0022624 k( 18) = ( 0.1268657 -0.0732459 0.1035854), wk = 0.0022624 k( 19) = ( 0.1343284 -0.0775545 0.1096786), wk = 0.0022624 k( 20) = ( 0.1417910 -0.0818631 0.1157719), wk = 0.0022624 k( 21) = ( 0.1492537 -0.0861717 0.1218652), wk = 0.0022624 k( 22) = ( 0.1567164 -0.0904803 0.1279584), wk = 0.0022624 k( 23) = ( 0.1641791 -0.0947888 0.1340517), wk = 0.0022624 k( 24) = ( 0.1716418 -0.0990974 0.1401449), wk = 0.0022624 k( 25) = ( 0.1791045 -0.1034060 0.1462382), wk = 0.0022624 k( 26) = ( 0.1865672 -0.1077146 0.1523314), wk = 0.0022624 k( 27) = ( 0.1940299 -0.1120232 0.1584247), wk = 0.0022624 k( 28) = ( 0.2014925 -0.1163318 0.1645180), wk = 0.0022624 k( 29) = ( 0.2089552 -0.1206404 0.1706112), wk = 0.0022624 k( 30) = ( 0.2164179 -0.1249489 0.1767045), wk = 0.0022624 k( 31) = ( 0.2238806 -0.1292575 0.1827977), wk = 0.0022624 k( 32) = ( 0.2313433 -0.1335661 0.1888910), wk = 0.0022624 k( 33) = ( 0.2388060 -0.1378747 0.1949843), wk = 0.0022624 k( 34) = ( 0.2462687 -0.1421833 0.2010775), wk = 0.0022624 k( 35) = ( 0.2537313 -0.1464919 0.2071708), wk = 0.0022624 k( 36) = ( 0.2611940 -0.1508004 0.2132640), wk = 0.0022624 k( 37) = ( 0.2686567 -0.1551090 0.2193573), wk = 0.0022624 k( 38) = ( 0.2761194 -0.1594176 0.2254505), wk = 0.0022624 k( 39) = ( 0.2835821 -0.1637262 0.2315438), wk = 0.0022624 k( 40) = ( 0.2910448 -0.1680348 0.2376371), wk = 0.0022624 k( 41) = ( 0.2985075 -0.1723434 0.2437303), wk = 0.0022624 k( 42) = ( 0.3059701 -0.1766519 0.2498236), wk = 0.0022624 k( 43) = ( 0.3134328 -0.1809605 0.2559168), wk = 0.0022624 k( 44) = ( 0.3208955 -0.1852691 0.2620101), wk = 0.0022624 k( 45) = ( 0.3283582 -0.1895777 0.2681034), wk = 0.0022624 k( 46) = ( 0.3358209 -0.1938863 0.2741966), wk = 0.0022624 k( 47) = ( 0.3432836 -0.1981949 0.2802899), wk = 0.0022624 k( 48) = ( 0.3507463 -0.2025035 0.2863831), wk = 0.0022624 k( 49) = ( 0.3582090 -0.2068120 0.2924764), wk = 0.0022624 k( 50) = ( 0.3656716 -0.2111206 0.2985696), wk = 0.0022624 k( 51) = ( 0.3731343 -0.2154292 0.3046629), wk = 0.0022624 k( 52) = ( 0.3805970 -0.2197378 0.3107562), wk = 0.0022624 k( 53) = ( 0.3880597 -0.2240464 0.3168494), wk = 0.0022624 k( 54) = ( 0.3955224 -0.2283550 0.3229427), wk = 0.0022624 k( 55) = ( 0.4029851 -0.2326635 0.3290359), wk = 0.0022624 k( 56) = ( 0.4104478 -0.2369721 0.3351292), wk = 0.0022624 k( 57) = ( 0.4179104 -0.2412807 0.3412225), wk = 0.0022624 k( 58) = ( 0.4253731 -0.2455893 0.3473157), wk = 0.0022624 k( 59) = ( 0.4328358 -0.2498979 0.3534090), wk = 0.0022624 k( 60) = ( 0.4402985 -0.2542065 0.3595022), wk = 0.0022624 k( 61) = ( 0.4477612 -0.2585150 0.3655955), wk = 0.0022624 k( 62) = ( 0.4552239 -0.2628236 0.3716887), wk = 0.0022624 k( 63) = ( 0.4626866 -0.2671322 0.3777820), wk = 0.0022624 k( 64) = ( 0.4701493 -0.2714408 0.3838753), wk = 0.0022624 k( 65) = ( 0.4776119 -0.2757494 0.3899685), wk = 0.0022624 k( 66) = ( 0.4850746 -0.2800580 0.3960618), wk = 0.0022624 k( 67) = ( 0.4925373 -0.2843665 0.4021550), wk = 0.0022624 k( 68) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0022624 k( 69) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0022624 k( 70) = ( 0.5000000 -0.2801847 0.4142519), wk = 0.0022624 k( 71) = ( 0.5000000 -0.2716942 0.4202556), wk = 0.0022624 k( 72) = ( 0.5000000 -0.2632038 0.4262592), wk = 0.0022624 k( 73) = ( 0.5000000 -0.2547134 0.4322629), wk = 0.0022624 k( 74) = ( 0.5000000 -0.2462229 0.4382666), wk = 0.0022624 k( 75) = ( 0.5000000 -0.2377325 0.4442702), wk = 0.0022624 k( 76) = ( 0.5000000 -0.2292420 0.4502739), wk = 0.0022624 k( 77) = ( 0.5000000 -0.2207516 0.4562775), wk = 0.0022624 k( 78) = ( 0.5000000 -0.2122611 0.4622812), wk = 0.0022624 k( 79) = ( 0.5000000 -0.2037707 0.4682848), wk = 0.0022624 k( 80) = ( 0.5000000 -0.1952802 0.4742885), wk = 0.0022624 k( 81) = ( 0.5000000 -0.1867898 0.4802921), wk = 0.0022624 k( 82) = ( 0.5000000 -0.1782993 0.4862958), wk = 0.0022624 k( 83) = ( 0.5000000 -0.1698089 0.4922994), wk = 0.0022624 k( 84) = ( 0.5000000 -0.1613185 0.4983031), wk = 0.0022624 k( 85) = ( 0.5000000 -0.1528280 0.5043067), wk = 0.0022624 k( 86) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0022624 k( 87) = ( 0.5000000 -0.1358471 0.5163140), wk = 0.0022624 k( 88) = ( 0.5000000 -0.1273567 0.5223177), wk = 0.0022624 k( 89) = ( 0.5000000 -0.1188662 0.5283213), wk = 0.0022624 k( 90) = ( 0.5000000 -0.1103758 0.5343250), wk = 0.0022624 k( 91) = ( 0.5000000 -0.1018853 0.5403286), wk = 0.0022624 k( 92) = ( 0.5000000 -0.0933949 0.5463323), wk = 0.0022624 k( 93) = ( 0.5000000 -0.0849044 0.5523359), wk = 0.0022624 k( 94) = ( 0.5000000 -0.0764140 0.5583396), wk = 0.0022624 k( 95) = ( 0.5000000 -0.0679236 0.5643432), wk = 0.0022624 k( 96) = ( 0.5000000 -0.0594331 0.5703469), wk = 0.0022624 k( 97) = ( 0.5000000 -0.0509427 0.5763505), wk = 0.0022624 k( 98) = ( 0.5000000 -0.0424522 0.5823542), wk = 0.0022624 k( 99) = ( 0.5000000 -0.0339618 0.5883578), wk = 0.0022624 k( 100) = ( 0.5000000 -0.0254713 0.5943615), wk = 0.0022624 k( 101) = ( 0.5000000 -0.0169809 0.6003651), wk = 0.0022624 k( 102) = ( 0.5000000 -0.0084904 0.6063688), wk = 0.0022624 k( 103) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0022624 k( 104) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0022624 k( 105) = ( 0.4947917 0.0090211 0.6123724), wk = 0.0022624 k( 106) = ( 0.4895833 0.0180422 0.6123724), wk = 0.0022624 k( 107) = ( 0.4843750 0.0270633 0.6123724), wk = 0.0022624 k( 108) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0022624 k( 109) = ( 0.4739583 0.0451055 0.6123724), wk = 0.0022624 k( 110) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0022624 k( 111) = ( 0.4635417 0.0631477 0.6123724), wk = 0.0022624 k( 112) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0022624 k( 113) = ( 0.4531250 0.0811899 0.6123724), wk = 0.0022624 k( 114) = ( 0.4479167 0.0902110 0.6123724), wk = 0.0022624 k( 115) = ( 0.4427083 0.0992321 0.6123724), wk = 0.0022624 k( 116) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0022624 k( 117) = ( 0.4322917 0.1172743 0.6123724), wk = 0.0022624 k( 118) = ( 0.4270833 0.1262954 0.6123724), wk = 0.0022624 k( 119) = ( 0.4218750 0.1353165 0.6123724), wk = 0.0022624 k( 120) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0022624 k( 121) = ( 0.4114583 0.1533587 0.6123724), wk = 0.0022624 k( 122) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0022624 k( 123) = ( 0.4010417 0.1714009 0.6123724), wk = 0.0022624 k( 124) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0022624 k( 125) = ( 0.3906250 0.1894431 0.6123724), wk = 0.0022624 k( 126) = ( 0.3854167 0.1984641 0.6123724), wk = 0.0022624 k( 127) = ( 0.3802083 0.2074853 0.6123724), wk = 0.0022624 k( 128) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0022624 k( 129) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0022624 k( 130) = ( 0.3697183 0.2134570 0.6037475), wk = 0.0022624 k( 131) = ( 0.3644366 0.2104076 0.5951225), wk = 0.0022624 k( 132) = ( 0.3591549 0.2073582 0.5864975), wk = 0.0022624 k( 133) = ( 0.3538732 0.2043088 0.5778726), wk = 0.0022624 k( 134) = ( 0.3485915 0.2012594 0.5692476), wk = 0.0022624 k( 135) = ( 0.3433099 0.1982100 0.5606227), wk = 0.0022624 k( 136) = ( 0.3380282 0.1951607 0.5519977), wk = 0.0022624 k( 137) = ( 0.3327465 0.1921113 0.5433727), wk = 0.0022624 k( 138) = ( 0.3274648 0.1890619 0.5347478), wk = 0.0022624 k( 139) = ( 0.3221831 0.1860125 0.5261228), wk = 0.0022624 k( 140) = ( 0.3169014 0.1829631 0.5174978), wk = 0.0022624 k( 141) = ( 0.3116197 0.1799137 0.5088729), wk = 0.0022624 k( 142) = ( 0.3063380 0.1768643 0.5002479), wk = 0.0022624 k( 143) = ( 0.3010563 0.1738150 0.4916229), wk = 0.0022624 k( 144) = ( 0.2957746 0.1707656 0.4829980), wk = 0.0022624 k( 145) = ( 0.2904930 0.1677162 0.4743730), wk = 0.0022624 k( 146) = ( 0.2852113 0.1646668 0.4657481), wk = 0.0022624 k( 147) = ( 0.2799296 0.1616174 0.4571231), wk = 0.0022624 k( 148) = ( 0.2746479 0.1585680 0.4484981), wk = 0.0022624 k( 149) = ( 0.2693662 0.1555186 0.4398732), wk = 0.0022624 k( 150) = ( 0.2640845 0.1524693 0.4312482), wk = 0.0022624 k( 151) = ( 0.2588028 0.1494199 0.4226232), wk = 0.0022624 k( 152) = ( 0.2535211 0.1463705 0.4139983), wk = 0.0022624 k( 153) = ( 0.2482394 0.1433211 0.4053733), wk = 0.0022624 k( 154) = ( 0.2429578 0.1402717 0.3967483), wk = 0.0022624 k( 155) = ( 0.2376761 0.1372223 0.3881234), wk = 0.0022624 k( 156) = ( 0.2323944 0.1341730 0.3794984), wk = 0.0022624 k( 157) = ( 0.2271127 0.1311236 0.3708734), wk = 0.0022624 k( 158) = ( 0.2218310 0.1280742 0.3622485), wk = 0.0022624 k( 159) = ( 0.2165493 0.1250248 0.3536235), wk = 0.0022624 k( 160) = ( 0.2112676 0.1219754 0.3449986), wk = 0.0022624 k( 161) = ( 0.2059859 0.1189260 0.3363736), wk = 0.0022624 k( 162) = ( 0.2007042 0.1158766 0.3277486), wk = 0.0022624 k( 163) = ( 0.1954225 0.1128273 0.3191237), wk = 0.0022624 k( 164) = ( 0.1901409 0.1097779 0.3104987), wk = 0.0022624 k( 165) = ( 0.1848591 0.1067285 0.3018737), wk = 0.0022624 k( 166) = ( 0.1795775 0.1036791 0.2932488), wk = 0.0022624 k( 167) = ( 0.1742958 0.1006297 0.2846238), wk = 0.0022624 k( 168) = ( 0.1690141 0.0975803 0.2759988), wk = 0.0022624 k( 169) = ( 0.1637324 0.0945309 0.2673739), wk = 0.0022624 k( 170) = ( 0.1584507 0.0914816 0.2587489), wk = 0.0022624 k( 171) = ( 0.1531690 0.0884322 0.2501240), wk = 0.0022624 k( 172) = ( 0.1478873 0.0853828 0.2414990), wk = 0.0022624 k( 173) = ( 0.1426056 0.0823334 0.2328740), wk = 0.0022624 k( 174) = ( 0.1373239 0.0792840 0.2242491), wk = 0.0022624 k( 175) = ( 0.1320422 0.0762346 0.2156241), wk = 0.0022624 k( 176) = ( 0.1267606 0.0731852 0.2069991), wk = 0.0022624 k( 177) = ( 0.1214789 0.0701359 0.1983742), wk = 0.0022624 k( 178) = ( 0.1161972 0.0670865 0.1897492), wk = 0.0022624 k( 179) = ( 0.1109155 0.0640371 0.1811242), wk = 0.0022624 k( 180) = ( 0.1056338 0.0609877 0.1724993), wk = 0.0022624 k( 181) = ( 0.1003521 0.0579383 0.1638743), wk = 0.0022624 k( 182) = ( 0.0950704 0.0548889 0.1552494), wk = 0.0022624 k( 183) = ( 0.0897887 0.0518395 0.1466244), wk = 0.0022624 k( 184) = ( 0.0845070 0.0487902 0.1379994), wk = 0.0022624 k( 185) = ( 0.0792253 0.0457408 0.1293745), wk = 0.0022624 k( 186) = ( 0.0739437 0.0426914 0.1207495), wk = 0.0022624 k( 187) = ( 0.0686620 0.0396420 0.1121245), wk = 0.0022624 k( 188) = ( 0.0633803 0.0365926 0.1034996), wk = 0.0022624 k( 189) = ( 0.0580986 0.0335432 0.0948746), wk = 0.0022624 k( 190) = ( 0.0528169 0.0304939 0.0862496), wk = 0.0022624 k( 191) = ( 0.0475352 0.0274445 0.0776247), wk = 0.0022624 k( 192) = ( 0.0422535 0.0243951 0.0689997), wk = 0.0022624 k( 193) = ( 0.0369718 0.0213457 0.0603747), wk = 0.0022624 k( 194) = ( 0.0316901 0.0182963 0.0517498), wk = 0.0022624 k( 195) = ( 0.0264084 0.0152469 0.0431248), wk = 0.0022624 k( 196) = ( 0.0211268 0.0121975 0.0344999), wk = 0.0022624 k( 197) = ( 0.0158451 0.0091482 0.0258749), wk = 0.0022624 k( 198) = ( 0.0105634 0.0060988 0.0172499), wk = 0.0022624 k( 199) = ( 0.0052817 0.0030494 0.0086250), wk = 0.0022624 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022624 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022624 k( 202) = ( 0.0086207 0.0049772 0.0035194), wk = 0.0022624 k( 203) = ( 0.0172414 0.0099543 0.0070388), wk = 0.0022624 k( 204) = ( 0.0258621 0.0149315 0.0105581), wk = 0.0022624 k( 205) = ( 0.0344828 0.0199086 0.0140775), wk = 0.0022624 k( 206) = ( 0.0431035 0.0248858 0.0175969), wk = 0.0022624 k( 207) = ( 0.0517241 0.0298629 0.0211163), wk = 0.0022624 k( 208) = ( 0.0603448 0.0348401 0.0246357), wk = 0.0022624 k( 209) = ( 0.0689655 0.0398173 0.0281551), wk = 0.0022624 k( 210) = ( 0.0775862 0.0447944 0.0316744), wk = 0.0022624 k( 211) = ( 0.0862069 0.0497716 0.0351938), wk = 0.0022624 k( 212) = ( 0.0948276 0.0547487 0.0387132), wk = 0.0022624 k( 213) = ( 0.1034483 0.0597259 0.0422326), wk = 0.0022624 k( 214) = ( 0.1120690 0.0647030 0.0457520), wk = 0.0022624 k( 215) = ( 0.1206897 0.0696802 0.0492713), wk = 0.0022624 k( 216) = ( 0.1293103 0.0746574 0.0527907), wk = 0.0022624 k( 217) = ( 0.1379310 0.0796345 0.0563101), wk = 0.0022624 k( 218) = ( 0.1465517 0.0846117 0.0598295), wk = 0.0022624 k( 219) = ( 0.1551724 0.0895888 0.0633489), wk = 0.0022624 k( 220) = ( 0.1637931 0.0945660 0.0668683), wk = 0.0022624 k( 221) = ( 0.1724138 0.0995431 0.0703876), wk = 0.0022624 k( 222) = ( 0.1810345 0.1045203 0.0739070), wk = 0.0022624 k( 223) = ( 0.1896552 0.1094975 0.0774264), wk = 0.0022624 k( 224) = ( 0.1982759 0.1144746 0.0809458), wk = 0.0022624 k( 225) = ( 0.2068966 0.1194518 0.0844652), wk = 0.0022624 k( 226) = ( 0.2155172 0.1244289 0.0879845), wk = 0.0022624 k( 227) = ( 0.2241379 0.1294061 0.0915039), wk = 0.0022624 k( 228) = ( 0.2327586 0.1343833 0.0950233), wk = 0.0022624 k( 229) = ( 0.2413793 0.1393604 0.0985427), wk = 0.0022624 k( 230) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0022624 k( 231) = ( 0.2586207 0.1493147 0.1055815), wk = 0.0022624 k( 232) = ( 0.2672414 0.1542919 0.1091008), wk = 0.0022624 k( 233) = ( 0.2758621 0.1592690 0.1126202), wk = 0.0022624 k( 234) = ( 0.2844828 0.1642462 0.1161396), wk = 0.0022624 k( 235) = ( 0.2931034 0.1692234 0.1196590), wk = 0.0022624 k( 236) = ( 0.3017241 0.1742005 0.1231784), wk = 0.0022624 k( 237) = ( 0.3103448 0.1791777 0.1266977), wk = 0.0022624 k( 238) = ( 0.3189655 0.1841548 0.1302171), wk = 0.0022624 k( 239) = ( 0.3275862 0.1891320 0.1337365), wk = 0.0022624 k( 240) = ( 0.3362069 0.1941091 0.1372559), wk = 0.0022624 k( 241) = ( 0.3448276 0.1990863 0.1407753), wk = 0.0022624 k( 242) = ( 0.3534483 0.2040635 0.1442947), wk = 0.0022624 k( 243) = ( 0.3620690 0.2090406 0.1478140), wk = 0.0022624 k( 244) = ( 0.3706897 0.2140178 0.1513334), wk = 0.0022624 k( 245) = ( 0.3793103 0.2189949 0.1548528), wk = 0.0022624 k( 246) = ( 0.3879310 0.2239721 0.1583722), wk = 0.0022624 k( 247) = ( 0.3965517 0.2289492 0.1618916), wk = 0.0022624 k( 248) = ( 0.4051724 0.2339264 0.1654109), wk = 0.0022624 k( 249) = ( 0.4137931 0.2389036 0.1689303), wk = 0.0022624 k( 250) = ( 0.4224138 0.2438807 0.1724497), wk = 0.0022624 k( 251) = ( 0.4310345 0.2488579 0.1759691), wk = 0.0022624 k( 252) = ( 0.4396552 0.2538350 0.1794885), wk = 0.0022624 k( 253) = ( 0.4482759 0.2588122 0.1830079), wk = 0.0022624 k( 254) = ( 0.4568966 0.2637893 0.1865272), wk = 0.0022624 k( 255) = ( 0.4655172 0.2687665 0.1900466), wk = 0.0022624 k( 256) = ( 0.4741379 0.2737437 0.1935660), wk = 0.0022624 k( 257) = ( 0.4827586 0.2787208 0.1970854), wk = 0.0022624 k( 258) = ( 0.4913793 0.2836980 0.2006048), wk = 0.0022624 k( 259) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022624 k( 260) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022624 k( 261) = ( 0.5030488 0.2798741 0.2091028), wk = 0.0022624 k( 262) = ( 0.5060976 0.2710730 0.2140814), wk = 0.0022624 k( 263) = ( 0.5091463 0.2622719 0.2190601), wk = 0.0022624 k( 264) = ( 0.5121951 0.2534709 0.2240387), wk = 0.0022624 k( 265) = ( 0.5152439 0.2446698 0.2290173), wk = 0.0022624 k( 266) = ( 0.5182927 0.2358687 0.2339960), wk = 0.0022624 k( 267) = ( 0.5213415 0.2270676 0.2389746), wk = 0.0022624 k( 268) = ( 0.5243902 0.2182666 0.2439532), wk = 0.0022624 k( 269) = ( 0.5274390 0.2094655 0.2489319), wk = 0.0022624 k( 270) = ( 0.5304878 0.2006644 0.2539105), wk = 0.0022624 k( 271) = ( 0.5335366 0.1918633 0.2588892), wk = 0.0022624 k( 272) = ( 0.5365854 0.1830623 0.2638678), wk = 0.0022624 k( 273) = ( 0.5396342 0.1742612 0.2688464), wk = 0.0022624 k( 274) = ( 0.5426829 0.1654601 0.2738251), wk = 0.0022624 k( 275) = ( 0.5457317 0.1566591 0.2788037), wk = 0.0022624 k( 276) = ( 0.5487805 0.1478580 0.2837824), wk = 0.0022624 k( 277) = ( 0.5518293 0.1390569 0.2887610), wk = 0.0022624 k( 278) = ( 0.5548781 0.1302558 0.2937396), wk = 0.0022624 k( 279) = ( 0.5579268 0.1214548 0.2987183), wk = 0.0022624 k( 280) = ( 0.5609756 0.1126537 0.3036969), wk = 0.0022624 k( 281) = ( 0.5640244 0.1038526 0.3086755), wk = 0.0022624 k( 282) = ( 0.5670732 0.0950516 0.3136542), wk = 0.0022624 k( 283) = ( 0.5701219 0.0862505 0.3186328), wk = 0.0022624 k( 284) = ( 0.5731707 0.0774494 0.3236114), wk = 0.0022624 k( 285) = ( 0.5762195 0.0686484 0.3285901), wk = 0.0022624 k( 286) = ( 0.5792683 0.0598473 0.3335687), wk = 0.0022624 k( 287) = ( 0.5823171 0.0510462 0.3385474), wk = 0.0022624 k( 288) = ( 0.5853658 0.0422451 0.3435260), wk = 0.0022624 k( 289) = ( 0.5884146 0.0334441 0.3485046), wk = 0.0022624 k( 290) = ( 0.5914634 0.0246430 0.3534833), wk = 0.0022624 k( 291) = ( 0.5945122 0.0158419 0.3584619), wk = 0.0022624 k( 292) = ( 0.5975610 0.0070409 0.3634406), wk = 0.0022624 k( 293) = ( 0.6006098 -0.0017602 0.3684192), wk = 0.0022624 k( 294) = ( 0.6036585 -0.0105613 0.3733978), wk = 0.0022624 k( 295) = ( 0.6067073 -0.0193624 0.3783765), wk = 0.0022624 k( 296) = ( 0.6097561 -0.0281634 0.3833551), wk = 0.0022624 k( 297) = ( 0.6128049 -0.0369645 0.3883337), wk = 0.0022624 k( 298) = ( 0.6158537 -0.0457656 0.3933124), wk = 0.0022624 k( 299) = ( 0.6189024 -0.0545666 0.3982910), wk = 0.0022624 k( 300) = ( 0.6219512 -0.0633677 0.4032697), wk = 0.0022624 k( 301) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0022624 k( 302) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0022624 k( 303) = ( 0.6197917 -0.0691618 0.4167535), wk = 0.0022624 k( 304) = ( 0.6145833 -0.0661547 0.4252586), wk = 0.0022624 k( 305) = ( 0.6093750 -0.0631477 0.4337638), wk = 0.0022624 k( 306) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0022624 k( 307) = ( 0.5989583 -0.0571336 0.4507742), wk = 0.0022624 k( 308) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0022624 k( 309) = ( 0.5885417 -0.0511196 0.4677845), wk = 0.0022624 k( 310) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0022624 k( 311) = ( 0.5781250 -0.0451055 0.4847948), wk = 0.0022624 k( 312) = ( 0.5729167 -0.0420985 0.4933000), wk = 0.0022624 k( 313) = ( 0.5677083 -0.0390914 0.5018052), wk = 0.0022624 k( 314) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0022624 k( 315) = ( 0.5572917 -0.0330774 0.5188155), wk = 0.0022624 k( 316) = ( 0.5520833 -0.0300703 0.5273207), wk = 0.0022624 k( 317) = ( 0.5468750 -0.0270633 0.5358259), wk = 0.0022624 k( 318) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0022624 k( 319) = ( 0.5364583 -0.0210492 0.5528362), wk = 0.0022624 k( 320) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0022624 k( 321) = ( 0.5260417 -0.0150352 0.5698466), wk = 0.0022624 k( 322) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0022624 k( 323) = ( 0.5156250 -0.0090211 0.5868569), wk = 0.0022624 k( 324) = ( 0.5104167 -0.0060141 0.5953621), wk = 0.0022624 k( 325) = ( 0.5052083 -0.0030070 0.6038673), wk = 0.0022624 k( 326) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0022624 k( 327) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0022624 k( 328) = ( 0.5000000 0.0060141 0.6038673), wk = 0.0022624 k( 329) = ( 0.5000000 0.0120281 0.5953621), wk = 0.0022624 k( 330) = ( 0.5000000 0.0180422 0.5868569), wk = 0.0022624 k( 331) = ( 0.5000000 0.0240563 0.5783518), wk = 0.0022624 k( 332) = ( 0.5000000 0.0300703 0.5698466), wk = 0.0022624 k( 333) = ( 0.5000000 0.0360844 0.5613414), wk = 0.0022624 k( 334) = ( 0.5000000 0.0420985 0.5528362), wk = 0.0022624 k( 335) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0022624 k( 336) = ( 0.5000000 0.0541266 0.5358259), wk = 0.0022624 k( 337) = ( 0.5000000 0.0601406 0.5273207), wk = 0.0022624 k( 338) = ( 0.5000000 0.0661547 0.5188155), wk = 0.0022624 k( 339) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0022624 k( 340) = ( 0.5000000 0.0781828 0.5018052), wk = 0.0022624 k( 341) = ( 0.5000000 0.0841969 0.4933000), wk = 0.0022624 k( 342) = ( 0.5000000 0.0902110 0.4847948), wk = 0.0022624 k( 343) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0022624 k( 344) = ( 0.5000000 0.1022391 0.4677845), wk = 0.0022624 k( 345) = ( 0.5000000 0.1082532 0.4592793), wk = 0.0022624 k( 346) = ( 0.5000000 0.1142672 0.4507742), wk = 0.0022624 k( 347) = ( 0.5000000 0.1202813 0.4422690), wk = 0.0022624 k( 348) = ( 0.5000000 0.1262954 0.4337638), wk = 0.0022624 k( 349) = ( 0.5000000 0.1323094 0.4252586), wk = 0.0022624 k( 350) = ( 0.5000000 0.1383235 0.4167535), wk = 0.0022624 k( 351) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0022624 k( 352) = ( 0.5000000 0.1503516 0.3997431), wk = 0.0022624 k( 353) = ( 0.5000000 0.1563657 0.3912379), wk = 0.0022624 k( 354) = ( 0.5000000 0.1623798 0.3827328), wk = 0.0022624 k( 355) = ( 0.5000000 0.1683938 0.3742276), wk = 0.0022624 k( 356) = ( 0.5000000 0.1744079 0.3657224), wk = 0.0022624 k( 357) = ( 0.5000000 0.1804220 0.3572173), wk = 0.0022624 k( 358) = ( 0.5000000 0.1864360 0.3487121), wk = 0.0022624 k( 359) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0022624 k( 360) = ( 0.5000000 0.1984642 0.3317017), wk = 0.0022624 k( 361) = ( 0.5000000 0.2044782 0.3231966), wk = 0.0022624 k( 362) = ( 0.5000000 0.2104923 0.3146914), wk = 0.0022624 k( 363) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0022624 k( 364) = ( 0.5000000 0.2225204 0.2976811), wk = 0.0022624 k( 365) = ( 0.5000000 0.2285345 0.2891759), wk = 0.0022624 k( 366) = ( 0.5000000 0.2345485 0.2806707), wk = 0.0022624 k( 367) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0022624 k( 368) = ( 0.5000000 0.2465767 0.2636603), wk = 0.0022624 k( 369) = ( 0.5000000 0.2525907 0.2551552), wk = 0.0022624 k( 370) = ( 0.5000000 0.2586048 0.2466500), wk = 0.0022624 k( 371) = ( 0.5000000 0.2646189 0.2381448), wk = 0.0022624 k( 372) = ( 0.5000000 0.2706329 0.2296397), wk = 0.0022624 k( 373) = ( 0.5000000 0.2766470 0.2211345), wk = 0.0022624 k( 374) = ( 0.5000000 0.2826611 0.2126293), wk = 0.0022624 k( 375) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022624 k( 376) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022624 k( 377) = ( 0.4969512 0.2869149 0.2140814), wk = 0.0022624 k( 378) = ( 0.4939024 0.2851547 0.2240387), wk = 0.0022624 k( 379) = ( 0.4908537 0.2833945 0.2339960), wk = 0.0022624 k( 380) = ( 0.4878049 0.2816343 0.2439532), wk = 0.0022624 k( 381) = ( 0.4847561 0.2798741 0.2539105), wk = 0.0022624 k( 382) = ( 0.4817073 0.2781139 0.2638678), wk = 0.0022624 k( 383) = ( 0.4786585 0.2763536 0.2738251), wk = 0.0022624 k( 384) = ( 0.4756098 0.2745934 0.2837823), wk = 0.0022624 k( 385) = ( 0.4725610 0.2728332 0.2937396), wk = 0.0022624 k( 386) = ( 0.4695122 0.2710730 0.3036969), wk = 0.0022624 k( 387) = ( 0.4664634 0.2693128 0.3136542), wk = 0.0022624 k( 388) = ( 0.4634146 0.2675526 0.3236115), wk = 0.0022624 k( 389) = ( 0.4603659 0.2657923 0.3335687), wk = 0.0022624 k( 390) = ( 0.4573171 0.2640321 0.3435260), wk = 0.0022624 k( 391) = ( 0.4542683 0.2622719 0.3534833), wk = 0.0022624 k( 392) = ( 0.4512195 0.2605117 0.3634406), wk = 0.0022624 k( 393) = ( 0.4481707 0.2587515 0.3733978), wk = 0.0022624 k( 394) = ( 0.4451219 0.2569913 0.3833551), wk = 0.0022624 k( 395) = ( 0.4420732 0.2552311 0.3933124), wk = 0.0022624 k( 396) = ( 0.4390244 0.2534708 0.4032697), wk = 0.0022624 k( 397) = ( 0.4359756 0.2517106 0.4132269), wk = 0.0022624 k( 398) = ( 0.4329268 0.2499504 0.4231842), wk = 0.0022624 k( 399) = ( 0.4298781 0.2481902 0.4331415), wk = 0.0022624 k( 400) = ( 0.4268293 0.2464300 0.4430987), wk = 0.0022624 k( 401) = ( 0.4237805 0.2446698 0.4530560), wk = 0.0022624 k( 402) = ( 0.4207317 0.2429096 0.4630133), wk = 0.0022624 k( 403) = ( 0.4176829 0.2411494 0.4729706), wk = 0.0022624 k( 404) = ( 0.4146341 0.2393891 0.4829279), wk = 0.0022624 k( 405) = ( 0.4115854 0.2376289 0.4928851), wk = 0.0022624 k( 406) = ( 0.4085366 0.2358687 0.5028424), wk = 0.0022624 k( 407) = ( 0.4054878 0.2341085 0.5127997), wk = 0.0022624 k( 408) = ( 0.4024390 0.2323483 0.5227570), wk = 0.0022624 k( 409) = ( 0.3993902 0.2305881 0.5327142), wk = 0.0022624 k( 410) = ( 0.3963415 0.2288278 0.5426715), wk = 0.0022624 k( 411) = ( 0.3932927 0.2270676 0.5526288), wk = 0.0022624 k( 412) = ( 0.3902439 0.2253074 0.5625861), wk = 0.0022624 k( 413) = ( 0.3871951 0.2235472 0.5725433), wk = 0.0022624 k( 414) = ( 0.3841463 0.2217870 0.5825006), wk = 0.0022624 k( 415) = ( 0.3810976 0.2200268 0.5924579), wk = 0.0022624 k( 416) = ( 0.3780488 0.2182666 0.6024152), wk = 0.0022624 k( 417) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0022624 k( 418) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0022624 k( 419) = ( 0.6197917 -0.0811899 0.4082483), wk = 0.0022624 k( 420) = ( 0.6145833 -0.0902110 0.4082483), wk = 0.0022624 k( 421) = ( 0.6093750 -0.0992321 0.4082483), wk = 0.0022624 k( 422) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0022624 k( 423) = ( 0.5989583 -0.1172743 0.4082483), wk = 0.0022624 k( 424) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0022624 k( 425) = ( 0.5885417 -0.1353165 0.4082483), wk = 0.0022624 k( 426) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0022624 k( 427) = ( 0.5781250 -0.1533587 0.4082483), wk = 0.0022624 k( 428) = ( 0.5729167 -0.1623798 0.4082483), wk = 0.0022624 k( 429) = ( 0.5677083 -0.1714009 0.4082483), wk = 0.0022624 k( 430) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0022624 k( 431) = ( 0.5572917 -0.1894431 0.4082483), wk = 0.0022624 k( 432) = ( 0.5520833 -0.1984641 0.4082483), wk = 0.0022624 k( 433) = ( 0.5468750 -0.2074853 0.4082483), wk = 0.0022624 k( 434) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0022624 k( 435) = ( 0.5364583 -0.2255274 0.4082483), wk = 0.0022624 k( 436) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0022624 k( 437) = ( 0.5260417 -0.2435697 0.4082483), wk = 0.0022624 k( 438) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0022624 k( 439) = ( 0.5156250 -0.2616118 0.4082483), wk = 0.0022624 k( 440) = ( 0.5104167 -0.2706329 0.4082483), wk = 0.0022624 k( 441) = ( 0.5052083 -0.2796540 0.4082483), wk = 0.0022624 k( 442) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0022624 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022624 k( 2) = ( 0.0074627 -0.0000000 0.0074627), wk = 0.0022624 k( 3) = ( 0.0149254 0.0000000 0.0149254), wk = 0.0022624 k( 4) = ( 0.0223881 -0.0000000 0.0223881), wk = 0.0022624 k( 5) = ( 0.0298507 -0.0000000 0.0298507), wk = 0.0022624 k( 6) = ( 0.0373134 -0.0000000 0.0373134), wk = 0.0022624 k( 7) = ( 0.0447761 -0.0000000 0.0447761), wk = 0.0022624 k( 8) = ( 0.0522388 -0.0000000 0.0522388), wk = 0.0022624 k( 9) = ( 0.0597015 -0.0000000 0.0597015), wk = 0.0022624 k( 10) = ( 0.0671642 -0.0000000 0.0671642), wk = 0.0022624 k( 11) = ( 0.0746269 -0.0000000 0.0746269), wk = 0.0022624 k( 12) = ( 0.0820895 -0.0000000 0.0820895), wk = 0.0022624 k( 13) = ( 0.0895522 -0.0000000 0.0895522), wk = 0.0022624 k( 14) = ( 0.0970149 -0.0000000 0.0970149), wk = 0.0022624 k( 15) = ( 0.1044776 -0.0000000 0.1044776), wk = 0.0022624 k( 16) = ( 0.1119403 -0.0000000 0.1119403), wk = 0.0022624 k( 17) = ( 0.1194030 -0.0000000 0.1194030), wk = 0.0022624 k( 18) = ( 0.1268657 -0.0000000 0.1268657), wk = 0.0022624 k( 19) = ( 0.1343284 -0.0000000 0.1343284), wk = 0.0022624 k( 20) = ( 0.1417910 -0.0000000 0.1417910), wk = 0.0022624 k( 21) = ( 0.1492537 -0.0000000 0.1492537), wk = 0.0022624 k( 22) = ( 0.1567164 -0.0000000 0.1567164), wk = 0.0022624 k( 23) = ( 0.1641791 -0.0000000 0.1641791), wk = 0.0022624 k( 24) = ( 0.1716418 -0.0000000 0.1716418), wk = 0.0022624 k( 25) = ( 0.1791045 -0.0000000 0.1791045), wk = 0.0022624 k( 26) = ( 0.1865672 0.0000000 0.1865672), wk = 0.0022624 k( 27) = ( 0.1940299 -0.0000000 0.1940299), wk = 0.0022624 k( 28) = ( 0.2014925 -0.0000000 0.2014925), wk = 0.0022624 k( 29) = ( 0.2089552 -0.0000000 0.2089552), wk = 0.0022624 k( 30) = ( 0.2164179 -0.0000000 0.2164179), wk = 0.0022624 k( 31) = ( 0.2238806 -0.0000000 0.2238806), wk = 0.0022624 k( 32) = ( 0.2313433 -0.0000000 0.2313433), wk = 0.0022624 k( 33) = ( 0.2388060 0.0000000 0.2388060), wk = 0.0022624 k( 34) = ( 0.2462687 -0.0000000 0.2462687), wk = 0.0022624 k( 35) = ( 0.2537313 -0.0000000 0.2537313), wk = 0.0022624 k( 36) = ( 0.2611940 -0.0000000 0.2611940), wk = 0.0022624 k( 37) = ( 0.2686567 -0.0000000 0.2686567), wk = 0.0022624 k( 38) = ( 0.2761194 -0.0000000 0.2761194), wk = 0.0022624 k( 39) = ( 0.2835821 -0.0000000 0.2835821), wk = 0.0022624 k( 40) = ( 0.2910448 -0.0000000 0.2910448), wk = 0.0022624 k( 41) = ( 0.2985075 -0.0000000 0.2985075), wk = 0.0022624 k( 42) = ( 0.3059701 -0.0000000 0.3059701), wk = 0.0022624 k( 43) = ( 0.3134328 -0.0000000 0.3134328), wk = 0.0022624 k( 44) = ( 0.3208955 0.0000000 0.3208955), wk = 0.0022624 k( 45) = ( 0.3283582 -0.0000000 0.3283582), wk = 0.0022624 k( 46) = ( 0.3358209 -0.0000000 0.3358209), wk = 0.0022624 k( 47) = ( 0.3432836 -0.0000000 0.3432836), wk = 0.0022624 k( 48) = ( 0.3507463 0.0000000 0.3507463), wk = 0.0022624 k( 49) = ( 0.3582090 -0.0000000 0.3582090), wk = 0.0022624 k( 50) = ( 0.3656716 0.0000000 0.3656716), wk = 0.0022624 k( 51) = ( 0.3731343 -0.0000000 0.3731343), wk = 0.0022624 k( 52) = ( 0.3805970 -0.0000000 0.3805970), wk = 0.0022624 k( 53) = ( 0.3880597 -0.0000000 0.3880597), wk = 0.0022624 k( 54) = ( 0.3955224 -0.0000000 0.3955224), wk = 0.0022624 k( 55) = ( 0.4029851 -0.0000000 0.4029851), wk = 0.0022624 k( 56) = ( 0.4104478 -0.0000000 0.4104478), wk = 0.0022624 k( 57) = ( 0.4179104 -0.0000000 0.4179104), wk = 0.0022624 k( 58) = ( 0.4253731 -0.0000000 0.4253731), wk = 0.0022624 k( 59) = ( 0.4328358 -0.0000000 0.4328358), wk = 0.0022624 k( 60) = ( 0.4402985 -0.0000000 0.4402985), wk = 0.0022624 k( 61) = ( 0.4477612 -0.0000000 0.4477612), wk = 0.0022624 k( 62) = ( 0.4552239 -0.0000000 0.4552239), wk = 0.0022624 k( 63) = ( 0.4626866 -0.0000000 0.4626866), wk = 0.0022624 k( 64) = ( 0.4701493 -0.0000000 0.4701493), wk = 0.0022624 k( 65) = ( 0.4776119 0.0000000 0.4776119), wk = 0.0022624 k( 66) = ( 0.4850746 -0.0000000 0.4850746), wk = 0.0022624 k( 67) = ( 0.4925373 -0.0000000 0.4925373), wk = 0.0022624 k( 68) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0022624 k( 69) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0022624 k( 70) = ( 0.5000000 0.0073529 0.5073529), wk = 0.0022624 k( 71) = ( 0.5000000 0.0147059 0.5147059), wk = 0.0022624 k( 72) = ( 0.5000000 0.0220588 0.5220588), wk = 0.0022624 k( 73) = ( 0.5000000 0.0294118 0.5294118), wk = 0.0022624 k( 74) = ( 0.5000000 0.0367647 0.5367647), wk = 0.0022624 k( 75) = ( 0.5000000 0.0441176 0.5441177), wk = 0.0022624 k( 76) = ( 0.5000000 0.0514706 0.5514706), wk = 0.0022624 k( 77) = ( 0.5000000 0.0588235 0.5588235), wk = 0.0022624 k( 78) = ( 0.5000000 0.0661765 0.5661765), wk = 0.0022624 k( 79) = ( 0.5000000 0.0735294 0.5735294), wk = 0.0022624 k( 80) = ( 0.5000000 0.0808823 0.5808823), wk = 0.0022624 k( 81) = ( 0.5000000 0.0882353 0.5882353), wk = 0.0022624 k( 82) = ( 0.5000000 0.0955882 0.5955882), wk = 0.0022624 k( 83) = ( 0.5000000 0.1029412 0.6029412), wk = 0.0022624 k( 84) = ( 0.5000000 0.1102941 0.6102941), wk = 0.0022624 k( 85) = ( 0.5000000 0.1176471 0.6176471), wk = 0.0022624 k( 86) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0022624 k( 87) = ( 0.5000000 0.1323529 0.6323529), wk = 0.0022624 k( 88) = ( 0.5000000 0.1397059 0.6397059), wk = 0.0022624 k( 89) = ( 0.5000000 0.1470588 0.6470588), wk = 0.0022624 k( 90) = ( 0.5000000 0.1544118 0.6544118), wk = 0.0022624 k( 91) = ( 0.5000000 0.1617647 0.6617647), wk = 0.0022624 k( 92) = ( 0.5000000 0.1691177 0.6691176), wk = 0.0022624 k( 93) = ( 0.5000000 0.1764706 0.6764706), wk = 0.0022624 k( 94) = ( 0.5000000 0.1838235 0.6838235), wk = 0.0022624 k( 95) = ( 0.5000000 0.1911765 0.6911765), wk = 0.0022624 k( 96) = ( 0.5000000 0.1985294 0.6985294), wk = 0.0022624 k( 97) = ( 0.5000000 0.2058823 0.7058823), wk = 0.0022624 k( 98) = ( 0.5000000 0.2132353 0.7132353), wk = 0.0022624 k( 99) = ( 0.5000000 0.2205882 0.7205882), wk = 0.0022624 k( 100) = ( 0.5000000 0.2279412 0.7279412), wk = 0.0022624 k( 101) = ( 0.5000000 0.2352941 0.7352941), wk = 0.0022624 k( 102) = ( 0.5000000 0.2426471 0.7426471), wk = 0.0022624 k( 103) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022624 k( 104) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022624 k( 105) = ( 0.4947917 0.2552083 0.7500000), wk = 0.0022624 k( 106) = ( 0.4895833 0.2604167 0.7500000), wk = 0.0022624 k( 107) = ( 0.4843750 0.2656250 0.7500000), wk = 0.0022624 k( 108) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0022624 k( 109) = ( 0.4739583 0.2760417 0.7500000), wk = 0.0022624 k( 110) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0022624 k( 111) = ( 0.4635417 0.2864583 0.7500000), wk = 0.0022624 k( 112) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0022624 k( 113) = ( 0.4531250 0.2968750 0.7500000), wk = 0.0022624 k( 114) = ( 0.4479167 0.3020833 0.7500000), wk = 0.0022624 k( 115) = ( 0.4427083 0.3072917 0.7500000), wk = 0.0022624 k( 116) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0022624 k( 117) = ( 0.4322917 0.3177083 0.7500000), wk = 0.0022624 k( 118) = ( 0.4270833 0.3229167 0.7500000), wk = 0.0022624 k( 119) = ( 0.4218750 0.3281250 0.7500000), wk = 0.0022624 k( 120) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0022624 k( 121) = ( 0.4114583 0.3385417 0.7500000), wk = 0.0022624 k( 122) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0022624 k( 123) = ( 0.4010417 0.3489583 0.7500000), wk = 0.0022624 k( 124) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0022624 k( 125) = ( 0.3906250 0.3593750 0.7500000), wk = 0.0022624 k( 126) = ( 0.3854167 0.3645833 0.7500000), wk = 0.0022624 k( 127) = ( 0.3802083 0.3697917 0.7500000), wk = 0.0022624 k( 128) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022624 k( 129) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022624 k( 130) = ( 0.3697183 0.3697183 0.7394366), wk = 0.0022624 k( 131) = ( 0.3644366 0.3644366 0.7288732), wk = 0.0022624 k( 132) = ( 0.3591549 0.3591549 0.7183099), wk = 0.0022624 k( 133) = ( 0.3538732 0.3538732 0.7077465), wk = 0.0022624 k( 134) = ( 0.3485915 0.3485915 0.6971831), wk = 0.0022624 k( 135) = ( 0.3433099 0.3433099 0.6866197), wk = 0.0022624 k( 136) = ( 0.3380282 0.3380282 0.6760563), wk = 0.0022624 k( 137) = ( 0.3327465 0.3327465 0.6654930), wk = 0.0022624 k( 138) = ( 0.3274648 0.3274648 0.6549296), wk = 0.0022624 k( 139) = ( 0.3221831 0.3221831 0.6443662), wk = 0.0022624 k( 140) = ( 0.3169014 0.3169014 0.6338028), wk = 0.0022624 k( 141) = ( 0.3116197 0.3116197 0.6232394), wk = 0.0022624 k( 142) = ( 0.3063380 0.3063380 0.6126761), wk = 0.0022624 k( 143) = ( 0.3010563 0.3010563 0.6021127), wk = 0.0022624 k( 144) = ( 0.2957746 0.2957746 0.5915493), wk = 0.0022624 k( 145) = ( 0.2904930 0.2904930 0.5809859), wk = 0.0022624 k( 146) = ( 0.2852113 0.2852113 0.5704225), wk = 0.0022624 k( 147) = ( 0.2799296 0.2799296 0.5598591), wk = 0.0022624 k( 148) = ( 0.2746479 0.2746479 0.5492958), wk = 0.0022624 k( 149) = ( 0.2693662 0.2693662 0.5387324), wk = 0.0022624 k( 150) = ( 0.2640845 0.2640845 0.5281690), wk = 0.0022624 k( 151) = ( 0.2588028 0.2588028 0.5176056), wk = 0.0022624 k( 152) = ( 0.2535211 0.2535211 0.5070423), wk = 0.0022624 k( 153) = ( 0.2482394 0.2482394 0.4964789), wk = 0.0022624 k( 154) = ( 0.2429578 0.2429578 0.4859155), wk = 0.0022624 k( 155) = ( 0.2376761 0.2376761 0.4753521), wk = 0.0022624 k( 156) = ( 0.2323944 0.2323944 0.4647887), wk = 0.0022624 k( 157) = ( 0.2271127 0.2271127 0.4542253), wk = 0.0022624 k( 158) = ( 0.2218310 0.2218310 0.4436620), wk = 0.0022624 k( 159) = ( 0.2165493 0.2165493 0.4330986), wk = 0.0022624 k( 160) = ( 0.2112676 0.2112676 0.4225352), wk = 0.0022624 k( 161) = ( 0.2059859 0.2059859 0.4119718), wk = 0.0022624 k( 162) = ( 0.2007042 0.2007042 0.4014085), wk = 0.0022624 k( 163) = ( 0.1954225 0.1954225 0.3908451), wk = 0.0022624 k( 164) = ( 0.1901409 0.1901409 0.3802817), wk = 0.0022624 k( 165) = ( 0.1848591 0.1848591 0.3697183), wk = 0.0022624 k( 166) = ( 0.1795775 0.1795775 0.3591549), wk = 0.0022624 k( 167) = ( 0.1742958 0.1742958 0.3485915), wk = 0.0022624 k( 168) = ( 0.1690141 0.1690141 0.3380282), wk = 0.0022624 k( 169) = ( 0.1637324 0.1637324 0.3274648), wk = 0.0022624 k( 170) = ( 0.1584507 0.1584507 0.3169014), wk = 0.0022624 k( 171) = ( 0.1531690 0.1531690 0.3063380), wk = 0.0022624 k( 172) = ( 0.1478873 0.1478873 0.2957746), wk = 0.0022624 k( 173) = ( 0.1426056 0.1426056 0.2852113), wk = 0.0022624 k( 174) = ( 0.1373239 0.1373239 0.2746479), wk = 0.0022624 k( 175) = ( 0.1320422 0.1320422 0.2640845), wk = 0.0022624 k( 176) = ( 0.1267606 0.1267606 0.2535211), wk = 0.0022624 k( 177) = ( 0.1214789 0.1214789 0.2429577), wk = 0.0022624 k( 178) = ( 0.1161972 0.1161972 0.2323944), wk = 0.0022624 k( 179) = ( 0.1109155 0.1109155 0.2218310), wk = 0.0022624 k( 180) = ( 0.1056338 0.1056338 0.2112676), wk = 0.0022624 k( 181) = ( 0.1003521 0.1003521 0.2007042), wk = 0.0022624 k( 182) = ( 0.0950704 0.0950704 0.1901408), wk = 0.0022624 k( 183) = ( 0.0897887 0.0897887 0.1795775), wk = 0.0022624 k( 184) = ( 0.0845070 0.0845070 0.1690141), wk = 0.0022624 k( 185) = ( 0.0792253 0.0792253 0.1584507), wk = 0.0022624 k( 186) = ( 0.0739437 0.0739437 0.1478873), wk = 0.0022624 k( 187) = ( 0.0686620 0.0686620 0.1373239), wk = 0.0022624 k( 188) = ( 0.0633803 0.0633803 0.1267606), wk = 0.0022624 k( 189) = ( 0.0580986 0.0580986 0.1161972), wk = 0.0022624 k( 190) = ( 0.0528169 0.0528169 0.1056338), wk = 0.0022624 k( 191) = ( 0.0475352 0.0475352 0.0950704), wk = 0.0022624 k( 192) = ( 0.0422535 0.0422535 0.0845070), wk = 0.0022624 k( 193) = ( 0.0369718 0.0369718 0.0739437), wk = 0.0022624 k( 194) = ( 0.0316901 0.0316901 0.0633803), wk = 0.0022624 k( 195) = ( 0.0264084 0.0264084 0.0528169), wk = 0.0022624 k( 196) = ( 0.0211268 0.0211268 0.0422535), wk = 0.0022624 k( 197) = ( 0.0158451 0.0158451 0.0316901), wk = 0.0022624 k( 198) = ( 0.0105634 0.0105634 0.0211268), wk = 0.0022624 k( 199) = ( 0.0052817 0.0052817 0.0105634), wk = 0.0022624 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022624 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022624 k( 202) = ( 0.0086207 0.0086207 0.0086207), wk = 0.0022624 k( 203) = ( 0.0172414 0.0172414 0.0172414), wk = 0.0022624 k( 204) = ( 0.0258621 0.0258621 0.0258621), wk = 0.0022624 k( 205) = ( 0.0344828 0.0344828 0.0344828), wk = 0.0022624 k( 206) = ( 0.0431035 0.0431035 0.0431034), wk = 0.0022624 k( 207) = ( 0.0517241 0.0517241 0.0517241), wk = 0.0022624 k( 208) = ( 0.0603448 0.0603448 0.0603448), wk = 0.0022624 k( 209) = ( 0.0689655 0.0689655 0.0689655), wk = 0.0022624 k( 210) = ( 0.0775862 0.0775862 0.0775862), wk = 0.0022624 k( 211) = ( 0.0862069 0.0862069 0.0862069), wk = 0.0022624 k( 212) = ( 0.0948276 0.0948276 0.0948276), wk = 0.0022624 k( 213) = ( 0.1034483 0.1034483 0.1034483), wk = 0.0022624 k( 214) = ( 0.1120690 0.1120690 0.1120690), wk = 0.0022624 k( 215) = ( 0.1206897 0.1206897 0.1206897), wk = 0.0022624 k( 216) = ( 0.1293103 0.1293103 0.1293103), wk = 0.0022624 k( 217) = ( 0.1379310 0.1379310 0.1379310), wk = 0.0022624 k( 218) = ( 0.1465517 0.1465517 0.1465517), wk = 0.0022624 k( 219) = ( 0.1551724 0.1551724 0.1551724), wk = 0.0022624 k( 220) = ( 0.1637931 0.1637931 0.1637931), wk = 0.0022624 k( 221) = ( 0.1724138 0.1724138 0.1724138), wk = 0.0022624 k( 222) = ( 0.1810345 0.1810345 0.1810345), wk = 0.0022624 k( 223) = ( 0.1896552 0.1896552 0.1896552), wk = 0.0022624 k( 224) = ( 0.1982759 0.1982759 0.1982759), wk = 0.0022624 k( 225) = ( 0.2068966 0.2068966 0.2068966), wk = 0.0022624 k( 226) = ( 0.2155172 0.2155172 0.2155172), wk = 0.0022624 k( 227) = ( 0.2241379 0.2241379 0.2241379), wk = 0.0022624 k( 228) = ( 0.2327586 0.2327586 0.2327586), wk = 0.0022624 k( 229) = ( 0.2413793 0.2413793 0.2413793), wk = 0.0022624 k( 230) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022624 k( 231) = ( 0.2586207 0.2586207 0.2586207), wk = 0.0022624 k( 232) = ( 0.2672414 0.2672414 0.2672414), wk = 0.0022624 k( 233) = ( 0.2758621 0.2758621 0.2758621), wk = 0.0022624 k( 234) = ( 0.2844828 0.2844828 0.2844828), wk = 0.0022624 k( 235) = ( 0.2931034 0.2931034 0.2931034), wk = 0.0022624 k( 236) = ( 0.3017241 0.3017241 0.3017241), wk = 0.0022624 k( 237) = ( 0.3103448 0.3103448 0.3103448), wk = 0.0022624 k( 238) = ( 0.3189655 0.3189655 0.3189655), wk = 0.0022624 k( 239) = ( 0.3275862 0.3275862 0.3275862), wk = 0.0022624 k( 240) = ( 0.3362069 0.3362069 0.3362069), wk = 0.0022624 k( 241) = ( 0.3448276 0.3448276 0.3448276), wk = 0.0022624 k( 242) = ( 0.3534483 0.3534483 0.3534483), wk = 0.0022624 k( 243) = ( 0.3620690 0.3620690 0.3620690), wk = 0.0022624 k( 244) = ( 0.3706897 0.3706897 0.3706897), wk = 0.0022624 k( 245) = ( 0.3793103 0.3793103 0.3793103), wk = 0.0022624 k( 246) = ( 0.3879310 0.3879310 0.3879310), wk = 0.0022624 k( 247) = ( 0.3965517 0.3965517 0.3965517), wk = 0.0022624 k( 248) = ( 0.4051724 0.4051724 0.4051724), wk = 0.0022624 k( 249) = ( 0.4137931 0.4137931 0.4137931), wk = 0.0022624 k( 250) = ( 0.4224138 0.4224138 0.4224138), wk = 0.0022624 k( 251) = ( 0.4310345 0.4310345 0.4310345), wk = 0.0022624 k( 252) = ( 0.4396552 0.4396552 0.4396552), wk = 0.0022624 k( 253) = ( 0.4482759 0.4482759 0.4482759), wk = 0.0022624 k( 254) = ( 0.4568966 0.4568966 0.4568966), wk = 0.0022624 k( 255) = ( 0.4655172 0.4655172 0.4655172), wk = 0.0022624 k( 256) = ( 0.4741379 0.4741379 0.4741379), wk = 0.0022624 k( 257) = ( 0.4827586 0.4827586 0.4827586), wk = 0.0022624 k( 258) = ( 0.4913793 0.4913793 0.4913793), wk = 0.0022624 k( 259) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022624 k( 260) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022624 k( 261) = ( 0.5030488 0.4939024 0.5030488), wk = 0.0022624 k( 262) = ( 0.5060976 0.4878049 0.5060976), wk = 0.0022624 k( 263) = ( 0.5091463 0.4817073 0.5091463), wk = 0.0022624 k( 264) = ( 0.5121951 0.4756098 0.5121951), wk = 0.0022624 k( 265) = ( 0.5152439 0.4695122 0.5152439), wk = 0.0022624 k( 266) = ( 0.5182927 0.4634146 0.5182927), wk = 0.0022624 k( 267) = ( 0.5213415 0.4573171 0.5213415), wk = 0.0022624 k( 268) = ( 0.5243902 0.4512195 0.5243902), wk = 0.0022624 k( 269) = ( 0.5274390 0.4451219 0.5274390), wk = 0.0022624 k( 270) = ( 0.5304878 0.4390244 0.5304878), wk = 0.0022624 k( 271) = ( 0.5335366 0.4329268 0.5335366), wk = 0.0022624 k( 272) = ( 0.5365854 0.4268293 0.5365854), wk = 0.0022624 k( 273) = ( 0.5396342 0.4207317 0.5396341), wk = 0.0022624 k( 274) = ( 0.5426829 0.4146341 0.5426829), wk = 0.0022624 k( 275) = ( 0.5457317 0.4085366 0.5457317), wk = 0.0022624 k( 276) = ( 0.5487805 0.4024390 0.5487805), wk = 0.0022624 k( 277) = ( 0.5518293 0.3963415 0.5518293), wk = 0.0022624 k( 278) = ( 0.5548781 0.3902439 0.5548780), wk = 0.0022624 k( 279) = ( 0.5579268 0.3841463 0.5579268), wk = 0.0022624 k( 280) = ( 0.5609756 0.3780488 0.5609756), wk = 0.0022624 k( 281) = ( 0.5640244 0.3719512 0.5640244), wk = 0.0022624 k( 282) = ( 0.5670732 0.3658537 0.5670732), wk = 0.0022624 k( 283) = ( 0.5701219 0.3597561 0.5701219), wk = 0.0022624 k( 284) = ( 0.5731707 0.3536585 0.5731707), wk = 0.0022624 k( 285) = ( 0.5762195 0.3475610 0.5762195), wk = 0.0022624 k( 286) = ( 0.5792683 0.3414634 0.5792683), wk = 0.0022624 k( 287) = ( 0.5823171 0.3353659 0.5823171), wk = 0.0022624 k( 288) = ( 0.5853658 0.3292683 0.5853658), wk = 0.0022624 k( 289) = ( 0.5884146 0.3231707 0.5884146), wk = 0.0022624 k( 290) = ( 0.5914634 0.3170732 0.5914634), wk = 0.0022624 k( 291) = ( 0.5945122 0.3109756 0.5945122), wk = 0.0022624 k( 292) = ( 0.5975610 0.3048781 0.5975610), wk = 0.0022624 k( 293) = ( 0.6006098 0.2987805 0.6006098), wk = 0.0022624 k( 294) = ( 0.6036585 0.2926829 0.6036585), wk = 0.0022624 k( 295) = ( 0.6067073 0.2865854 0.6067073), wk = 0.0022624 k( 296) = ( 0.6097561 0.2804878 0.6097561), wk = 0.0022624 k( 297) = ( 0.6128049 0.2743902 0.6128049), wk = 0.0022624 k( 298) = ( 0.6158537 0.2682927 0.6158537), wk = 0.0022624 k( 299) = ( 0.6189024 0.2621951 0.6189024), wk = 0.0022624 k( 300) = ( 0.6219512 0.2560976 0.6219512), wk = 0.0022624 k( 301) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022624 k( 302) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022624 k( 303) = ( 0.6197917 0.2500000 0.6302083), wk = 0.0022624 k( 304) = ( 0.6145833 0.2500000 0.6354167), wk = 0.0022624 k( 305) = ( 0.6093750 0.2500000 0.6406250), wk = 0.0022624 k( 306) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0022624 k( 307) = ( 0.5989583 0.2500000 0.6510417), wk = 0.0022624 k( 308) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0022624 k( 309) = ( 0.5885417 0.2500000 0.6614583), wk = 0.0022624 k( 310) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0022624 k( 311) = ( 0.5781250 0.2500000 0.6718750), wk = 0.0022624 k( 312) = ( 0.5729167 0.2500000 0.6770833), wk = 0.0022624 k( 313) = ( 0.5677083 0.2500000 0.6822917), wk = 0.0022624 k( 314) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0022624 k( 315) = ( 0.5572917 0.2500000 0.6927083), wk = 0.0022624 k( 316) = ( 0.5520833 0.2500000 0.6979167), wk = 0.0022624 k( 317) = ( 0.5468750 0.2500000 0.7031250), wk = 0.0022624 k( 318) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0022624 k( 319) = ( 0.5364583 0.2500000 0.7135417), wk = 0.0022624 k( 320) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0022624 k( 321) = ( 0.5260417 0.2500000 0.7239583), wk = 0.0022624 k( 322) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0022624 k( 323) = ( 0.5156250 0.2500000 0.7343750), wk = 0.0022624 k( 324) = ( 0.5104167 0.2500000 0.7395833), wk = 0.0022624 k( 325) = ( 0.5052083 0.2500000 0.7447917), wk = 0.0022624 k( 326) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022624 k( 327) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022624 k( 328) = ( 0.5000000 0.2552083 0.7447917), wk = 0.0022624 k( 329) = ( 0.5000000 0.2604167 0.7395833), wk = 0.0022624 k( 330) = ( 0.5000000 0.2656250 0.7343750), wk = 0.0022624 k( 331) = ( 0.5000000 0.2708333 0.7291667), wk = 0.0022624 k( 332) = ( 0.5000000 0.2760417 0.7239583), wk = 0.0022624 k( 333) = ( 0.5000000 0.2812500 0.7187500), wk = 0.0022624 k( 334) = ( 0.5000000 0.2864583 0.7135417), wk = 0.0022624 k( 335) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0022624 k( 336) = ( 0.5000000 0.2968750 0.7031250), wk = 0.0022624 k( 337) = ( 0.5000000 0.3020833 0.6979167), wk = 0.0022624 k( 338) = ( 0.5000000 0.3072917 0.6927083), wk = 0.0022624 k( 339) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0022624 k( 340) = ( 0.5000000 0.3177083 0.6822917), wk = 0.0022624 k( 341) = ( 0.5000000 0.3229167 0.6770833), wk = 0.0022624 k( 342) = ( 0.5000000 0.3281250 0.6718750), wk = 0.0022624 k( 343) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0022624 k( 344) = ( 0.5000000 0.3385417 0.6614583), wk = 0.0022624 k( 345) = ( 0.5000000 0.3437500 0.6562500), wk = 0.0022624 k( 346) = ( 0.5000000 0.3489583 0.6510417), wk = 0.0022624 k( 347) = ( 0.5000000 0.3541667 0.6458333), wk = 0.0022624 k( 348) = ( 0.5000000 0.3593750 0.6406250), wk = 0.0022624 k( 349) = ( 0.5000000 0.3645833 0.6354167), wk = 0.0022624 k( 350) = ( 0.5000000 0.3697917 0.6302083), wk = 0.0022624 k( 351) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0022624 k( 352) = ( 0.5000000 0.3802083 0.6197917), wk = 0.0022624 k( 353) = ( 0.5000000 0.3854167 0.6145833), wk = 0.0022624 k( 354) = ( 0.5000000 0.3906250 0.6093750), wk = 0.0022624 k( 355) = ( 0.5000000 0.3958333 0.6041667), wk = 0.0022624 k( 356) = ( 0.5000000 0.4010417 0.5989583), wk = 0.0022624 k( 357) = ( 0.5000000 0.4062500 0.5937500), wk = 0.0022624 k( 358) = ( 0.5000000 0.4114583 0.5885417), wk = 0.0022624 k( 359) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0022624 k( 360) = ( 0.5000000 0.4218750 0.5781250), wk = 0.0022624 k( 361) = ( 0.5000000 0.4270833 0.5729167), wk = 0.0022624 k( 362) = ( 0.5000000 0.4322917 0.5677083), wk = 0.0022624 k( 363) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0022624 k( 364) = ( 0.5000000 0.4427083 0.5572917), wk = 0.0022624 k( 365) = ( 0.5000000 0.4479167 0.5520833), wk = 0.0022624 k( 366) = ( 0.5000000 0.4531250 0.5468750), wk = 0.0022624 k( 367) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0022624 k( 368) = ( 0.5000000 0.4635417 0.5364583), wk = 0.0022624 k( 369) = ( 0.5000000 0.4687500 0.5312500), wk = 0.0022624 k( 370) = ( 0.5000000 0.4739583 0.5260417), wk = 0.0022624 k( 371) = ( 0.5000000 0.4791667 0.5208333), wk = 0.0022624 k( 372) = ( 0.5000000 0.4843750 0.5156250), wk = 0.0022624 k( 373) = ( 0.5000000 0.4895833 0.5104167), wk = 0.0022624 k( 374) = ( 0.5000000 0.4947917 0.5052083), wk = 0.0022624 k( 375) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022624 k( 376) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022624 k( 377) = ( 0.4969512 0.4969512 0.5060976), wk = 0.0022624 k( 378) = ( 0.4939024 0.4939024 0.5121951), wk = 0.0022624 k( 379) = ( 0.4908537 0.4908537 0.5182927), wk = 0.0022624 k( 380) = ( 0.4878049 0.4878049 0.5243902), wk = 0.0022624 k( 381) = ( 0.4847561 0.4847561 0.5304878), wk = 0.0022624 k( 382) = ( 0.4817073 0.4817073 0.5365854), wk = 0.0022624 k( 383) = ( 0.4786585 0.4786585 0.5426829), wk = 0.0022624 k( 384) = ( 0.4756098 0.4756098 0.5487805), wk = 0.0022624 k( 385) = ( 0.4725610 0.4725610 0.5548781), wk = 0.0022624 k( 386) = ( 0.4695122 0.4695122 0.5609756), wk = 0.0022624 k( 387) = ( 0.4664634 0.4664634 0.5670732), wk = 0.0022624 k( 388) = ( 0.4634146 0.4634146 0.5731707), wk = 0.0022624 k( 389) = ( 0.4603659 0.4603659 0.5792683), wk = 0.0022624 k( 390) = ( 0.4573171 0.4573171 0.5853658), wk = 0.0022624 k( 391) = ( 0.4542683 0.4542683 0.5914634), wk = 0.0022624 k( 392) = ( 0.4512195 0.4512195 0.5975610), wk = 0.0022624 k( 393) = ( 0.4481707 0.4481707 0.6036585), wk = 0.0022624 k( 394) = ( 0.4451219 0.4451219 0.6097561), wk = 0.0022624 k( 395) = ( 0.4420732 0.4420732 0.6158537), wk = 0.0022624 k( 396) = ( 0.4390244 0.4390244 0.6219512), wk = 0.0022624 k( 397) = ( 0.4359756 0.4359756 0.6280488), wk = 0.0022624 k( 398) = ( 0.4329268 0.4329268 0.6341463), wk = 0.0022624 k( 399) = ( 0.4298781 0.4298781 0.6402439), wk = 0.0022624 k( 400) = ( 0.4268293 0.4268293 0.6463415), wk = 0.0022624 k( 401) = ( 0.4237805 0.4237805 0.6524390), wk = 0.0022624 k( 402) = ( 0.4207317 0.4207317 0.6585366), wk = 0.0022624 k( 403) = ( 0.4176829 0.4176829 0.6646342), wk = 0.0022624 k( 404) = ( 0.4146341 0.4146341 0.6707317), wk = 0.0022624 k( 405) = ( 0.4115854 0.4115854 0.6768293), wk = 0.0022624 k( 406) = ( 0.4085366 0.4085366 0.6829268), wk = 0.0022624 k( 407) = ( 0.4054878 0.4054878 0.6890244), wk = 0.0022624 k( 408) = ( 0.4024390 0.4024390 0.6951219), wk = 0.0022624 k( 409) = ( 0.3993902 0.3993902 0.7012195), wk = 0.0022624 k( 410) = ( 0.3963415 0.3963415 0.7073171), wk = 0.0022624 k( 411) = ( 0.3932927 0.3932927 0.7134146), wk = 0.0022624 k( 412) = ( 0.3902439 0.3902439 0.7195122), wk = 0.0022624 k( 413) = ( 0.3871951 0.3871951 0.7256098), wk = 0.0022624 k( 414) = ( 0.3841463 0.3841463 0.7317073), wk = 0.0022624 k( 415) = ( 0.3810976 0.3810976 0.7378049), wk = 0.0022624 k( 416) = ( 0.3780488 0.3780488 0.7439024), wk = 0.0022624 k( 417) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022624 k( 418) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022624 k( 419) = ( 0.6197917 0.2395833 0.6197917), wk = 0.0022624 k( 420) = ( 0.6145833 0.2291667 0.6145833), wk = 0.0022624 k( 421) = ( 0.6093750 0.2187500 0.6093750), wk = 0.0022624 k( 422) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0022624 k( 423) = ( 0.5989583 0.1979167 0.5989583), wk = 0.0022624 k( 424) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0022624 k( 425) = ( 0.5885417 0.1770833 0.5885417), wk = 0.0022624 k( 426) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0022624 k( 427) = ( 0.5781250 0.1562500 0.5781250), wk = 0.0022624 k( 428) = ( 0.5729167 0.1458333 0.5729167), wk = 0.0022624 k( 429) = ( 0.5677083 0.1354167 0.5677083), wk = 0.0022624 k( 430) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0022624 k( 431) = ( 0.5572917 0.1145833 0.5572917), wk = 0.0022624 k( 432) = ( 0.5520833 0.1041667 0.5520833), wk = 0.0022624 k( 433) = ( 0.5468750 0.0937500 0.5468750), wk = 0.0022624 k( 434) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0022624 k( 435) = ( 0.5364583 0.0729167 0.5364583), wk = 0.0022624 k( 436) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0022624 k( 437) = ( 0.5260417 0.0520833 0.5260417), wk = 0.0022624 k( 438) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0022624 k( 439) = ( 0.5156250 0.0312500 0.5156250), wk = 0.0022624 k( 440) = ( 0.5104167 0.0208333 0.5104167), wk = 0.0022624 k( 441) = ( 0.5052083 0.0104167 0.5052083), wk = 0.0022624 k( 442) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0022624 Dense grid: 16889 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 7799 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 66, 26) NL pseudopotentials 0.02 Mb ( 33, 48) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 466) G-vector shells 0.00 Mb ( 175) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.10 Mb ( 66, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.04 Mb ( 48, 2, 26) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./NbN.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 1.8 secs Computing kpt #: 4 total cpu time spent up to now is 1.9 secs Computing kpt #: 5 total cpu time spent up to now is 2.0 secs Computing kpt #: 6 total cpu time spent up to now is 2.0 secs Computing kpt #: 7 total cpu time spent up to now is 2.1 secs Computing kpt #: 8 total cpu time spent up to now is 2.2 secs Computing kpt #: 9 total cpu time spent up to now is 2.2 secs Computing kpt #: 10 total cpu time spent up to now is 2.3 secs Computing kpt #: 11 total cpu time spent up to now is 2.4 secs Computing kpt #: 12 total cpu time spent up to now is 2.5 secs Computing kpt #: 13 total cpu time spent up to now is 2.5 secs Computing kpt #: 14 total cpu time spent up to now is 2.6 secs Computing kpt #: 15 total cpu time spent up to now is 2.7 secs Computing kpt #: 16 total cpu time spent up to now is 2.7 secs Computing kpt #: 17 total cpu time spent up to now is 2.8 secs Computing kpt #: 18 total cpu time spent up to now is 2.9 secs Computing kpt #: 19 total cpu time spent up to now is 2.9 secs Computing kpt #: 20 total cpu time spent up to now is 3.0 secs Computing kpt #: 21 total cpu time spent up to now is 3.1 secs Computing kpt #: 22 total cpu time spent up to now is 3.1 secs Computing kpt #: 23 total cpu time spent up to now is 3.2 secs Computing kpt #: 24 total cpu time spent up to now is 3.3 secs Computing kpt #: 25 total cpu time spent up to now is 3.3 secs Computing kpt #: 26 total cpu time spent up to now is 3.4 secs Computing kpt #: 27 total cpu time spent up to now is 3.5 secs Computing kpt #: 28 total cpu time spent up to now is 3.5 secs Computing kpt #: 29 total cpu time spent up to now is 3.6 secs Computing kpt #: 30 total cpu time spent up to now is 3.7 secs Computing kpt #: 31 total cpu time spent up to now is 3.7 secs Computing kpt #: 32 total cpu time spent up to now is 3.8 secs Computing kpt #: 33 total cpu time spent up to now is 3.9 secs Computing kpt #: 34 total cpu time spent up to now is 3.9 secs Computing kpt #: 35 total cpu time spent up to now is 4.0 secs Computing kpt #: 36 total cpu time spent up to now is 4.1 secs Computing kpt #: 37 total cpu time spent up to now is 4.1 secs Computing kpt #: 38 total cpu time spent up to now is 4.2 secs Computing kpt #: 39 total cpu time spent up to now is 4.3 secs Computing kpt #: 40 total cpu time spent up to now is 4.3 secs Computing kpt #: 41 total cpu time spent up to now is 4.4 secs Computing kpt #: 42 total cpu time spent up to now is 4.5 secs Computing kpt #: 43 total cpu time spent up to now is 4.5 secs Computing kpt #: 44 total cpu time spent up to now is 4.6 secs Computing kpt #: 45 total cpu time spent up to now is 4.6 secs Computing kpt #: 46 total cpu time spent up to now is 4.7 secs Computing kpt #: 47 total cpu time spent up to now is 4.8 secs Computing kpt #: 48 total cpu time spent up to now is 4.8 secs Computing kpt #: 49 total cpu time spent up to now is 4.9 secs Computing kpt #: 50 total cpu time spent up to now is 5.0 secs Computing kpt #: 51 total cpu time spent up to now is 5.0 secs Computing kpt #: 52 total cpu time spent up to now is 5.1 secs Computing kpt #: 53 total cpu time spent up to now is 5.2 secs Computing kpt #: 54 total cpu time spent up to now is 5.2 secs Computing kpt #: 55 total cpu time spent up to now is 5.3 secs Computing kpt #: 56 total cpu time spent up to now is 5.4 secs Computing kpt #: 57 total cpu time spent up to now is 5.4 secs Computing kpt #: 58 total cpu time spent up to now is 5.5 secs Computing kpt #: 59 total cpu time spent up to now is 5.6 secs Computing kpt #: 60 total cpu time spent up to now is 5.6 secs Computing kpt #: 61 total cpu time spent up to now is 5.7 secs Computing kpt #: 62 total cpu time spent up to now is 5.8 secs Computing kpt #: 63 total cpu time spent up to now is 5.8 secs Computing kpt #: 64 total cpu time spent up to now is 5.9 secs Computing kpt #: 65 total cpu time spent up to now is 5.9 secs Computing kpt #: 66 total cpu time spent up to now is 6.0 secs Computing kpt #: 67 total cpu time spent up to now is 6.1 secs Computing kpt #: 68 total cpu time spent up to now is 6.1 secs Computing kpt #: 69 total cpu time spent up to now is 6.2 secs Computing kpt #: 70 total cpu time spent up to now is 6.2 secs Computing kpt #: 71 total cpu time spent up to now is 6.3 secs Computing kpt #: 72 total cpu time spent up to now is 6.4 secs Computing kpt #: 73 total cpu time spent up to now is 6.4 secs Computing kpt #: 74 total cpu time spent up to now is 7.0 secs Computing kpt #: 75 total cpu time spent up to now is 7.0 secs Computing kpt #: 76 total cpu time spent up to now is 7.1 secs Computing kpt #: 77 total cpu time spent up to now is 7.1 secs Computing kpt #: 78 total cpu time spent up to now is 7.2 secs Computing kpt #: 79 total cpu time spent up to now is 7.2 secs Computing kpt #: 80 total cpu time spent up to now is 7.3 secs Computing kpt #: 81 total cpu time spent up to now is 7.4 secs Computing kpt #: 82 total cpu time spent up to now is 7.4 secs Computing kpt #: 83 total cpu time spent up to now is 7.5 secs Computing kpt #: 84 total cpu time spent up to now is 7.5 secs Computing kpt #: 85 total cpu time spent up to now is 7.6 secs Computing kpt #: 86 total cpu time spent up to now is 7.7 secs Computing kpt #: 87 total cpu time spent up to now is 7.7 secs Computing kpt #: 88 total cpu time spent up to now is 7.8 secs Computing kpt #: 89 total cpu time spent up to now is 7.8 secs Computing kpt #: 90 total cpu time spent up to now is 7.9 secs Computing kpt #: 91 total cpu time spent up to now is 8.0 secs Computing kpt #: 92 total cpu time spent up to now is 8.0 secs Computing kpt #: 93 total cpu time spent up to now is 8.1 secs Computing kpt #: 94 total cpu time spent up to now is 8.2 secs Computing kpt #: 95 total cpu time spent up to now is 8.2 secs Computing kpt #: 96 total cpu time spent up to now is 8.3 secs Computing kpt #: 97 total cpu time spent up to now is 8.3 secs Computing kpt #: 98 total cpu time spent up to now is 8.4 secs Computing kpt #: 99 total cpu time spent up to now is 8.5 secs Computing kpt #: 100 total cpu time spent up to now is 8.5 secs Computing kpt #: 101 total cpu time spent up to now is 8.6 secs Computing kpt #: 102 total cpu time spent up to now is 8.7 secs Computing kpt #: 103 total cpu time spent up to now is 8.7 secs Computing kpt #: 104 total cpu time spent up to now is 8.8 secs Computing kpt #: 105 total cpu time spent up to now is 8.9 secs Computing kpt #: 106 total cpu time spent up to now is 8.9 secs Computing kpt #: 107 total cpu time spent up to now is 9.0 secs Computing kpt #: 108 total cpu time spent up to now is 9.1 secs Computing kpt #: 109 total cpu time spent up to now is 9.1 secs Computing kpt #: 110 total cpu time spent up to now is 9.2 secs Computing kpt #: 111 total cpu time spent up to now is 9.3 secs Computing kpt #: 112 total cpu time spent up to now is 9.3 secs Computing kpt #: 113 total cpu time spent up to now is 9.4 secs Computing kpt #: 114 total cpu time spent up to now is 9.5 secs Computing kpt #: 115 total cpu time spent up to now is 9.5 secs Computing kpt #: 116 total cpu time spent up to now is 9.6 secs Computing kpt #: 117 total cpu time spent up to now is 9.6 secs Computing kpt #: 118 total cpu time spent up to now is 9.7 secs Computing kpt #: 119 total cpu time spent up to now is 9.8 secs Computing kpt #: 120 total cpu time spent up to now is 9.8 secs Computing kpt #: 121 total cpu time spent up to now is 9.9 secs Computing kpt #: 122 total cpu time spent up to now is 10.0 secs Computing kpt #: 123 total cpu time spent up to now is 10.0 secs Computing kpt #: 124 total cpu time spent up to now is 10.1 secs Computing kpt #: 125 total cpu time spent up to now is 10.2 secs Computing kpt #: 126 total cpu time spent up to now is 10.2 secs Computing kpt #: 127 total cpu time spent up to now is 10.3 secs Computing kpt #: 128 total cpu time spent up to now is 10.3 secs Computing kpt #: 129 total cpu time spent up to now is 10.4 secs Computing kpt #: 130 total cpu time spent up to now is 10.5 secs Computing kpt #: 131 total cpu time spent up to now is 10.5 secs Computing kpt #: 132 total cpu time spent up to now is 10.6 secs Computing kpt #: 133 total cpu time spent up to now is 10.6 secs Computing kpt #: 134 total cpu time spent up to now is 10.7 secs Computing kpt #: 135 total cpu time spent up to now is 10.8 secs Computing kpt #: 136 total cpu time spent up to now is 10.8 secs Computing kpt #: 137 total cpu time spent up to now is 10.9 secs Computing kpt #: 138 total cpu time spent up to now is 11.0 secs Computing kpt #: 139 total cpu time spent up to now is 11.0 secs Computing kpt #: 140 total cpu time spent up to now is 11.1 secs Computing kpt #: 141 total cpu time spent up to now is 11.2 secs Computing kpt #: 142 total cpu time spent up to now is 11.2 secs Computing kpt #: 143 total cpu time spent up to now is 11.3 secs Computing kpt #: 144 total cpu time spent up to now is 11.4 secs Computing kpt #: 145 total cpu time spent up to now is 11.4 secs Computing kpt #: 146 total cpu time spent up to now is 11.5 secs Computing kpt #: 147 total cpu time spent up to now is 11.6 secs Computing kpt #: 148 total cpu time spent up to now is 11.6 secs Computing kpt #: 149 total cpu time spent up to now is 11.7 secs Computing kpt #: 150 total cpu time spent up to now is 11.8 secs Computing kpt #: 151 total cpu time spent up to now is 11.8 secs Computing kpt #: 152 total cpu time spent up to now is 11.9 secs Computing kpt #: 153 total cpu time spent up to now is 12.0 secs Computing kpt #: 154 total cpu time spent up to now is 12.1 secs Computing kpt #: 155 total cpu time spent up to now is 12.1 secs Computing kpt #: 156 total cpu time spent up to now is 12.2 secs Computing kpt #: 157 total cpu time spent up to now is 12.3 secs Computing kpt #: 158 total cpu time spent up to now is 12.3 secs Computing kpt #: 159 total cpu time spent up to now is 12.4 secs Computing kpt #: 160 total cpu time spent up to now is 12.5 secs Computing kpt #: 161 total cpu time spent up to now is 12.6 secs Computing kpt #: 162 total cpu time spent up to now is 12.6 secs Computing kpt #: 163 total cpu time spent up to now is 12.7 secs Computing kpt #: 164 total cpu time spent up to now is 12.8 secs Computing kpt #: 165 total cpu time spent up to now is 12.8 secs Computing kpt #: 166 total cpu time spent up to now is 12.9 secs Computing kpt #: 167 total cpu time spent up to now is 13.0 secs Computing kpt #: 168 total cpu time spent up to now is 13.0 secs Computing kpt #: 169 total cpu time spent up to now is 13.1 secs Computing kpt #: 170 total cpu time spent up to now is 13.2 secs Computing kpt #: 171 total cpu time spent up to now is 13.3 secs Computing kpt #: 172 total cpu time spent up to now is 13.3 secs Computing kpt #: 173 total cpu time spent up to now is 13.4 secs Computing kpt #: 174 total cpu time spent up to now is 13.5 secs Computing kpt #: 175 total cpu time spent up to now is 13.5 secs Computing kpt #: 176 total cpu time spent up to now is 13.6 secs Computing kpt #: 177 total cpu time spent up to now is 13.7 secs Computing kpt #: 178 total cpu time spent up to now is 13.8 secs Computing kpt #: 179 total cpu time spent up to now is 13.8 secs Computing kpt #: 180 total cpu time spent up to now is 13.9 secs Computing kpt #: 181 total cpu time spent up to now is 14.0 secs Computing kpt #: 182 total cpu time spent up to now is 14.0 secs Computing kpt #: 183 total cpu time spent up to now is 14.1 secs Computing kpt #: 184 total cpu time spent up to now is 14.2 secs Computing kpt #: 185 total cpu time spent up to now is 14.2 secs Computing kpt #: 186 total cpu time spent up to now is 14.3 secs Computing kpt #: 187 total cpu time spent up to now is 14.4 secs Computing kpt #: 188 total cpu time spent up to now is 14.4 secs Computing kpt #: 189 total cpu time spent up to now is 14.5 secs Computing kpt #: 190 total cpu time spent up to now is 14.6 secs Computing kpt #: 191 total cpu time spent up to now is 14.6 secs Computing kpt #: 192 total cpu time spent up to now is 14.7 secs Computing kpt #: 193 total cpu time spent up to now is 14.8 secs Computing kpt #: 194 total cpu time spent up to now is 14.8 secs Computing kpt #: 195 total cpu time spent up to now is 14.9 secs Computing kpt #: 196 total cpu time spent up to now is 15.0 secs Computing kpt #: 197 total cpu time spent up to now is 15.0 secs Computing kpt #: 198 total cpu time spent up to now is 15.1 secs Computing kpt #: 199 total cpu time spent up to now is 15.2 secs Computing kpt #: 200 total cpu time spent up to now is 15.2 secs Computing kpt #: 201 total cpu time spent up to now is 15.3 secs Computing kpt #: 202 total cpu time spent up to now is 15.4 secs Computing kpt #: 203 total cpu time spent up to now is 15.4 secs Computing kpt #: 204 total cpu time spent up to now is 15.5 secs Computing kpt #: 205 total cpu time spent up to now is 15.6 secs Computing kpt #: 206 total cpu time spent up to now is 15.6 secs Computing kpt #: 207 total cpu time spent up to now is 15.7 secs Computing kpt #: 208 total cpu time spent up to now is 15.8 secs Computing kpt #: 209 total cpu time spent up to now is 15.8 secs Computing kpt #: 210 total cpu time spent up to now is 15.9 secs Computing kpt #: 211 total cpu time spent up to now is 16.0 secs Computing kpt #: 212 total cpu time spent up to now is 16.0 secs Computing kpt #: 213 total cpu time spent up to now is 16.1 secs Computing kpt #: 214 total cpu time spent up to now is 16.2 secs Computing kpt #: 215 total cpu time spent up to now is 16.2 secs Computing kpt #: 216 total cpu time spent up to now is 16.3 secs Computing kpt #: 217 total cpu time spent up to now is 16.4 secs Computing kpt #: 218 total cpu time spent up to now is 16.4 secs Computing kpt #: 219 total cpu time spent up to now is 16.5 secs Computing kpt #: 220 total cpu time spent up to now is 16.6 secs Computing kpt #: 221 total cpu time spent up to now is 16.6 secs Computing kpt #: 222 total cpu time spent up to now is 16.7 secs Computing kpt #: 223 total cpu time spent up to now is 16.8 secs Computing kpt #: 224 total cpu time spent up to now is 16.9 secs Computing kpt #: 225 total cpu time spent up to now is 16.9 secs Computing kpt #: 226 total cpu time spent up to now is 17.0 secs Computing kpt #: 227 total cpu time spent up to now is 17.1 secs Computing kpt #: 228 total cpu time spent up to now is 17.2 secs Computing kpt #: 229 total cpu time spent up to now is 17.2 secs Computing kpt #: 230 total cpu time spent up to now is 17.3 secs Computing kpt #: 231 total cpu time spent up to now is 17.4 secs Computing kpt #: 232 total cpu time spent up to now is 17.4 secs Computing kpt #: 233 total cpu time spent up to now is 17.5 secs Computing kpt #: 234 total cpu time spent up to now is 17.6 secs Computing kpt #: 235 total cpu time spent up to now is 17.7 secs Computing kpt #: 236 total cpu time spent up to now is 17.7 secs Computing kpt #: 237 total cpu time spent up to now is 17.8 secs Computing kpt #: 238 total cpu time spent up to now is 17.9 secs Computing kpt #: 239 total cpu time spent up to now is 18.0 secs Computing kpt #: 240 total cpu time spent up to now is 18.0 secs Computing kpt #: 241 total cpu time spent up to now is 18.1 secs Computing kpt #: 242 total cpu time spent up to now is 18.2 secs Computing kpt #: 243 total cpu time spent up to now is 18.3 secs Computing kpt #: 244 total cpu time spent up to now is 18.3 secs Computing kpt #: 245 total cpu time spent up to now is 18.4 secs Computing kpt #: 246 total cpu time spent up to now is 18.5 secs Computing kpt #: 247 total cpu time spent up to now is 18.6 secs Computing kpt #: 248 total cpu time spent up to now is 18.7 secs Computing kpt #: 249 total cpu time spent up to now is 18.8 secs Computing kpt #: 250 total cpu time spent up to now is 18.9 secs Computing kpt #: 251 total cpu time spent up to now is 19.0 secs Computing kpt #: 252 total cpu time spent up to now is 19.1 secs Computing kpt #: 253 total cpu time spent up to now is 19.1 secs Computing kpt #: 254 total cpu time spent up to now is 19.5 secs Computing kpt #: 255 total cpu time spent up to now is 19.5 secs Computing kpt #: 256 total cpu time spent up to now is 19.6 secs Computing kpt #: 257 total cpu time spent up to now is 19.7 secs Computing kpt #: 258 total cpu time spent up to now is 19.8 secs Computing kpt #: 259 total cpu time spent up to now is 19.9 secs Computing kpt #: 260 total cpu time spent up to now is 20.0 secs Computing kpt #: 261 total cpu time spent up to now is 20.1 secs Computing kpt #: 262 total cpu time spent up to now is 20.1 secs Computing kpt #: 263 total cpu time spent up to now is 20.2 secs Computing kpt #: 264 total cpu time spent up to now is 20.3 secs Computing kpt #: 265 total cpu time spent up to now is 20.4 secs Computing kpt #: 266 total cpu time spent up to now is 20.5 secs Computing kpt #: 267 total cpu time spent up to now is 20.6 secs Computing kpt #: 268 total cpu time spent up to now is 20.7 secs Computing kpt #: 269 total cpu time spent up to now is 20.7 secs Computing kpt #: 270 total cpu time spent up to now is 20.8 secs Computing kpt #: 271 total cpu time spent up to now is 20.9 secs Computing kpt #: 272 total cpu time spent up to now is 21.0 secs Computing kpt #: 273 total cpu time spent up to now is 21.1 secs Computing kpt #: 274 total cpu time spent up to now is 21.1 secs Computing kpt #: 275 total cpu time spent up to now is 21.2 secs Computing kpt #: 276 total cpu time spent up to now is 21.3 secs Computing kpt #: 277 total cpu time spent up to now is 21.4 secs Computing kpt #: 278 total cpu time spent up to now is 21.5 secs Computing kpt #: 279 total cpu time spent up to now is 21.5 secs Computing kpt #: 280 total cpu time spent up to now is 21.6 secs Computing kpt #: 281 total cpu time spent up to now is 21.7 secs Computing kpt #: 282 total cpu time spent up to now is 21.8 secs Computing kpt #: 283 total cpu time spent up to now is 21.8 secs Computing kpt #: 284 total cpu time spent up to now is 21.9 secs Computing kpt #: 285 total cpu time spent up to now is 22.0 secs Computing kpt #: 286 total cpu time spent up to now is 22.0 secs Computing kpt #: 287 total cpu time spent up to now is 22.1 secs Computing kpt #: 288 total cpu time spent up to now is 22.2 secs Computing kpt #: 289 total cpu time spent up to now is 22.3 secs Computing kpt #: 290 total cpu time spent up to now is 22.3 secs Computing kpt #: 291 total cpu time spent up to now is 22.4 secs Computing kpt #: 292 total cpu time spent up to now is 22.5 secs Computing kpt #: 293 total cpu time spent up to now is 22.5 secs Computing kpt #: 294 total cpu time spent up to now is 22.6 secs Computing kpt #: 295 total cpu time spent up to now is 22.7 secs Computing kpt #: 296 total cpu time spent up to now is 22.7 secs Computing kpt #: 297 total cpu time spent up to now is 22.8 secs Computing kpt #: 298 total cpu time spent up to now is 22.9 secs Computing kpt #: 299 total cpu time spent up to now is 22.9 secs Computing kpt #: 300 total cpu time spent up to now is 23.0 secs Computing kpt #: 301 total cpu time spent up to now is 23.0 secs Computing kpt #: 302 total cpu time spent up to now is 23.1 secs Computing kpt #: 303 total cpu time spent up to now is 23.2 secs Computing kpt #: 304 total cpu time spent up to now is 23.2 secs Computing kpt #: 305 total cpu time spent up to now is 23.3 secs Computing kpt #: 306 total cpu time spent up to now is 23.3 secs Computing kpt #: 307 total cpu time spent up to now is 23.4 secs Computing kpt #: 308 total cpu time spent up to now is 23.5 secs Computing kpt #: 309 total cpu time spent up to now is 23.5 secs Computing kpt #: 310 total cpu time spent up to now is 23.6 secs Computing kpt #: 311 total cpu time spent up to now is 23.6 secs Computing kpt #: 312 total cpu time spent up to now is 23.7 secs Computing kpt #: 313 total cpu time spent up to now is 23.8 secs Computing kpt #: 314 total cpu time spent up to now is 23.8 secs Computing kpt #: 315 total cpu time spent up to now is 23.9 secs Computing kpt #: 316 total cpu time spent up to now is 24.0 secs Computing kpt #: 317 total cpu time spent up to now is 24.0 secs Computing kpt #: 318 total cpu time spent up to now is 24.1 secs Computing kpt #: 319 total cpu time spent up to now is 24.2 secs Computing kpt #: 320 total cpu time spent up to now is 24.2 secs Computing kpt #: 321 total cpu time spent up to now is 24.3 secs Computing kpt #: 322 total cpu time spent up to now is 24.4 secs Computing kpt #: 323 total cpu time spent up to now is 24.4 secs Computing kpt #: 324 total cpu time spent up to now is 24.5 secs Computing kpt #: 325 total cpu time spent up to now is 24.6 secs Computing kpt #: 326 total cpu time spent up to now is 24.6 secs Computing kpt #: 327 total cpu time spent up to now is 24.7 secs Computing kpt #: 328 total cpu time spent up to now is 24.8 secs Computing kpt #: 329 total cpu time spent up to now is 24.8 secs Computing kpt #: 330 total cpu time spent up to now is 24.9 secs Computing kpt #: 331 total cpu time spent up to now is 25.0 secs Computing kpt #: 332 total cpu time spent up to now is 25.0 secs Computing kpt #: 333 total cpu time spent up to now is 25.1 secs Computing kpt #: 334 total cpu time spent up to now is 25.1 secs Computing kpt #: 335 total cpu time spent up to now is 25.2 secs Computing kpt #: 336 total cpu time spent up to now is 25.3 secs Computing kpt #: 337 total cpu time spent up to now is 25.3 secs Computing kpt #: 338 total cpu time spent up to now is 25.4 secs Computing kpt #: 339 total cpu time spent up to now is 25.5 secs Computing kpt #: 340 total cpu time spent up to now is 25.5 secs Computing kpt #: 341 total cpu time spent up to now is 25.6 secs Computing kpt #: 342 total cpu time spent up to now is 25.7 secs Computing kpt #: 343 total cpu time spent up to now is 25.7 secs Computing kpt #: 344 total cpu time spent up to now is 25.8 secs Computing kpt #: 345 total cpu time spent up to now is 25.9 secs Computing kpt #: 346 total cpu time spent up to now is 26.0 secs Computing kpt #: 347 total cpu time spent up to now is 26.0 secs Computing kpt #: 348 total cpu time spent up to now is 26.1 secs Computing kpt #: 349 total cpu time spent up to now is 26.2 secs Computing kpt #: 350 total cpu time spent up to now is 26.2 secs Computing kpt #: 351 total cpu time spent up to now is 26.3 secs Computing kpt #: 352 total cpu time spent up to now is 26.4 secs Computing kpt #: 353 total cpu time spent up to now is 26.5 secs Computing kpt #: 354 total cpu time spent up to now is 26.5 secs Computing kpt #: 355 total cpu time spent up to now is 26.6 secs Computing kpt #: 356 total cpu time spent up to now is 26.7 secs Computing kpt #: 357 total cpu time spent up to now is 26.8 secs Computing kpt #: 358 total cpu time spent up to now is 26.8 secs Computing kpt #: 359 total cpu time spent up to now is 26.9 secs Computing kpt #: 360 total cpu time spent up to now is 27.0 secs Computing kpt #: 361 total cpu time spent up to now is 27.1 secs Computing kpt #: 362 total cpu time spent up to now is 27.2 secs Computing kpt #: 363 total cpu time spent up to now is 27.2 secs Computing kpt #: 364 total cpu time spent up to now is 27.3 secs Computing kpt #: 365 total cpu time spent up to now is 27.4 secs Computing kpt #: 366 total cpu time spent up to now is 27.5 secs Computing kpt #: 367 total cpu time spent up to now is 27.6 secs Computing kpt #: 368 total cpu time spent up to now is 27.6 secs Computing kpt #: 369 total cpu time spent up to now is 27.7 secs Computing kpt #: 370 total cpu time spent up to now is 27.8 secs Computing kpt #: 371 total cpu time spent up to now is 27.9 secs Computing kpt #: 372 total cpu time spent up to now is 28.0 secs Computing kpt #: 373 total cpu time spent up to now is 28.1 secs Computing kpt #: 374 total cpu time spent up to now is 28.1 secs Computing kpt #: 375 total cpu time spent up to now is 28.2 secs Computing kpt #: 376 total cpu time spent up to now is 28.3 secs Computing kpt #: 377 total cpu time spent up to now is 28.4 secs Computing kpt #: 378 total cpu time spent up to now is 28.5 secs Computing kpt #: 379 total cpu time spent up to now is 28.6 secs Computing kpt #: 380 total cpu time spent up to now is 28.7 secs Computing kpt #: 381 total cpu time spent up to now is 28.7 secs Computing kpt #: 382 total cpu time spent up to now is 28.8 secs Computing kpt #: 383 total cpu time spent up to now is 28.9 secs Computing kpt #: 384 total cpu time spent up to now is 29.0 secs Computing kpt #: 385 total cpu time spent up to now is 29.1 secs Computing kpt #: 386 total cpu time spent up to now is 29.2 secs Computing kpt #: 387 total cpu time spent up to now is 29.2 secs Computing kpt #: 388 total cpu time spent up to now is 29.3 secs Computing kpt #: 389 total cpu time spent up to now is 29.4 secs Computing kpt #: 390 total cpu time spent up to now is 29.5 secs Computing kpt #: 391 total cpu time spent up to now is 29.6 secs Computing kpt #: 392 total cpu time spent up to now is 29.6 secs Computing kpt #: 393 total cpu time spent up to now is 29.7 secs Computing kpt #: 394 total cpu time spent up to now is 29.8 secs Computing kpt #: 395 total cpu time spent up to now is 29.9 secs Computing kpt #: 396 total cpu time spent up to now is 29.9 secs Computing kpt #: 397 total cpu time spent up to now is 30.0 secs Computing kpt #: 398 total cpu time spent up to now is 30.1 secs Computing kpt #: 399 total cpu time spent up to now is 30.2 secs Computing kpt #: 400 total cpu time spent up to now is 30.2 secs Computing kpt #: 401 total cpu time spent up to now is 30.3 secs Computing kpt #: 402 total cpu time spent up to now is 30.4 secs Computing kpt #: 403 total cpu time spent up to now is 30.4 secs Computing kpt #: 404 total cpu time spent up to now is 30.5 secs Computing kpt #: 405 total cpu time spent up to now is 30.6 secs Computing kpt #: 406 total cpu time spent up to now is 30.6 secs Computing kpt #: 407 total cpu time spent up to now is 30.7 secs Computing kpt #: 408 total cpu time spent up to now is 30.8 secs Computing kpt #: 409 total cpu time spent up to now is 30.8 secs Computing kpt #: 410 total cpu time spent up to now is 30.9 secs Computing kpt #: 411 total cpu time spent up to now is 31.0 secs Computing kpt #: 412 total cpu time spent up to now is 31.0 secs Computing kpt #: 413 total cpu time spent up to now is 31.1 secs Computing kpt #: 414 total cpu time spent up to now is 31.2 secs Computing kpt #: 415 total cpu time spent up to now is 31.2 secs Computing kpt #: 416 total cpu time spent up to now is 31.3 secs Computing kpt #: 417 total cpu time spent up to now is 31.4 secs Computing kpt #: 418 total cpu time spent up to now is 31.4 secs Computing kpt #: 419 total cpu time spent up to now is 31.5 secs Computing kpt #: 420 total cpu time spent up to now is 31.5 secs Computing kpt #: 421 total cpu time spent up to now is 31.6 secs Computing kpt #: 422 total cpu time spent up to now is 31.7 secs Computing kpt #: 423 total cpu time spent up to now is 31.7 secs Computing kpt #: 424 total cpu time spent up to now is 31.8 secs Computing kpt #: 425 total cpu time spent up to now is 31.8 secs Computing kpt #: 426 total cpu time spent up to now is 31.9 secs Computing kpt #: 427 total cpu time spent up to now is 32.0 secs Computing kpt #: 428 total cpu time spent up to now is 32.0 secs Computing kpt #: 429 total cpu time spent up to now is 32.1 secs Computing kpt #: 430 total cpu time spent up to now is 32.1 secs Computing kpt #: 431 total cpu time spent up to now is 32.2 secs Computing kpt #: 432 total cpu time spent up to now is 32.3 secs Computing kpt #: 433 total cpu time spent up to now is 32.3 secs Computing kpt #: 434 total cpu time spent up to now is 32.4 secs Computing kpt #: 435 total cpu time spent up to now is 32.4 secs Computing kpt #: 436 total cpu time spent up to now is 32.5 secs Computing kpt #: 437 total cpu time spent up to now is 32.6 secs Computing kpt #: 438 total cpu time spent up to now is 32.6 secs Computing kpt #: 439 total cpu time spent up to now is 32.7 secs Computing kpt #: 440 total cpu time spent up to now is 32.7 secs Computing kpt #: 441 total cpu time spent up to now is 32.8 secs Computing kpt #: 442 total cpu time spent up to now is 32.8 secs ethr = 5.56E-08, avg # of iterations = 8.7 total cpu time spent up to now is 32.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 941 PWs) bands (ev): -40.0575 -40.0575 -17.3608 -17.3608 -15.2103 -15.2103 -15.2103 -15.2103 0.1587 0.1587 13.6619 13.6619 13.7195 13.7195 13.7195 13.7195 14.8612 14.8612 14.8612 14.8612 14.9629 14.9629 16.2960 16.2960 16.2960 16.2960 k = 0.0075-0.0043 0.0061 ( 953 PWs) bands (ev): -40.0578 -40.0578 -17.3610 -17.3610 -15.2105 -15.2105 -15.2104 -15.2104 0.1598 0.1598 13.6544 13.6544 13.7086 13.7086 13.7153 13.7153 14.8618 14.8618 14.8673 14.8673 14.9663 14.9663 16.2965 16.2965 16.3082 16.3082 k = 0.0149-0.0086 0.0122 ( 953 PWs) bands (ev): -40.0577 -40.0577 -17.3614 -17.3614 -15.2112 -15.2112 -15.2107 -15.2107 0.1630 0.1630 13.6277 13.6277 13.6818 13.6818 13.7031 13.7031 14.8627 14.8627 14.8856 14.8856 14.9779 14.9779 16.2984 16.2984 16.3439 16.3439 k = 0.0224-0.0129 0.0183 ( 953 PWs) bands (ev): -40.0575 -40.0575 -17.3620 -17.3620 -15.2123 -15.2123 -15.2112 -15.2112 0.1684 0.1684 13.5724 13.5724 13.6517 13.6517 13.6837 13.6837 14.8606 14.8606 14.9153 14.9153 15.0000 15.0000 16.3014 16.3014 16.4000 16.4000 k = 0.0299-0.0172 0.0244 ( 953 PWs) bands (ev): -40.0572 -40.0572 -17.3629 -17.3629 -15.2139 -15.2139 -15.2119 -15.2119 0.1759 0.1759 13.4905 13.4905 13.6210 13.6210 13.6580 13.6580 14.8536 14.8536 14.9550 14.9550 15.0335 15.0335 16.3056 16.3056 16.4724 16.4724 k = 0.0373-0.0215 0.0305 ( 953 PWs) bands (ev): -40.0569 -40.0569 -17.3640 -17.3640 -15.2160 -15.2160 -15.2127 -15.2127 0.1855 0.1855 13.3895 13.3895 13.5875 13.5875 13.6271 13.6271 14.8416 14.8416 15.0035 15.0035 15.0774 15.0774 16.3111 16.3111 16.5562 16.5562 k = 0.0448-0.0259 0.0366 ( 953 PWs) bands (ev): -40.0565 -40.0565 -17.3654 -17.3654 -15.2184 -15.2184 -15.2138 -15.2138 0.1970 0.1970 13.2746 13.2746 13.5510 13.5510 13.5924 13.5924 14.8251 14.8251 15.0595 15.0595 15.1301 15.1301 16.3177 16.3177 16.6469 16.6469 k = 0.0522-0.0302 0.0427 ( 953 PWs) bands (ev): -40.0560 -40.0560 -17.3670 -17.3670 -15.2213 -15.2213 -15.2150 -15.2150 0.2106 0.2106 13.1494 13.1494 13.5119 13.5119 13.5547 13.5547 14.8046 14.8046 15.1219 15.1219 15.1901 15.1901 16.3255 16.3255 16.7404 16.7404 k = 0.0597-0.0345 0.0487 ( 953 PWs) bands (ev): -40.0554 -40.0554 -17.3689 -17.3689 -15.2246 -15.2246 -15.2164 -15.2164 0.2261 0.2261 13.0170 13.0170 13.4710 13.4710 13.5150 13.5150 14.7804 14.7804 15.1897 15.1897 15.2562 15.2562 16.3346 16.3346 16.8332 16.8332 k = 0.0672-0.0388 0.0548 ( 953 PWs) bands (ev): -40.0548 -40.0548 -17.3710 -17.3710 -15.2283 -15.2283 -15.2181 -15.2181 0.2434 0.2434 12.8797 12.8797 13.4291 13.4291 13.4741 13.4741 14.7530 14.7530 15.2621 15.2621 15.3272 15.3272 16.3447 16.3447 16.9228 16.9228 k = 0.0746-0.0431 0.0609 ( 953 PWs) bands (ev): -40.0541 -40.0541 -17.3733 -17.3733 -15.2324 -15.2324 -15.2198 -15.2198 0.2625 0.2625 12.7393 12.7393 13.3866 13.3866 13.4326 13.4326 14.7224 14.7224 15.3384 15.3384 15.4025 15.4025 16.3561 16.3561 17.0075 17.0075 k = 0.0821-0.0474 0.0670 ( 953 PWs) bands (ev): -40.0533 -40.0533 -17.3759 -17.3759 -15.2369 -15.2369 -15.2218 -15.2218 0.2833 0.2833 12.5972 12.5972 13.3440 13.3440 13.3910 13.3910 14.6891 14.6891 15.4179 15.4179 15.4812 15.4812 16.3686 16.3686 17.0865 17.0865 k = 0.0896-0.0517 0.0731 ( 957 PWs) bands (ev): -40.0526 -40.0526 -17.3787 -17.3787 -15.2418 -15.2418 -15.2239 -15.2239 0.3055 0.3055 12.4548 12.4548 13.3018 13.3018 13.3498 13.3498 14.6530 14.6530 15.5002 15.5002 15.5630 15.5630 16.3823 16.3823 17.1596 17.1596 k = 0.0970-0.0560 0.0792 ( 957 PWs) bands (ev): -40.0517 -40.0517 -17.3816 -17.3816 -15.2470 -15.2470 -15.2262 -15.2262 0.3293 0.3293 12.3129 12.3129 13.2603 13.2603 13.3092 13.3092 14.6146 14.6146 15.5850 15.5850 15.6472 15.6472 16.3971 16.3971 17.2274 17.2274 k = 0.1045-0.0603 0.0853 ( 958 PWs) bands (ev): -40.0508 -40.0508 -17.3848 -17.3848 -15.2525 -15.2525 -15.2287 -15.2287 0.3543 0.3543 12.1724 12.1724 13.2196 13.2196 13.2695 13.2695 14.5738 14.5738 15.6717 15.6717 15.7336 15.7336 16.4130 16.4130 17.2902 17.2902 k = 0.1119-0.0646 0.0914 ( 970 PWs) bands (ev): -40.0501 -40.0501 -17.3882 -17.3882 -15.2584 -15.2584 -15.2313 -15.2313 0.3806 0.3806 12.0341 12.0341 13.1802 13.1802 13.2309 13.2309 14.5310 14.5310 15.7599 15.7599 15.8215 15.8215 16.4300 16.4300 17.3490 17.3490 k = 0.1194-0.0689 0.0975 ( 970 PWs) bands (ev): -40.0490 -40.0490 -17.3918 -17.3918 -15.2646 -15.2646 -15.2340 -15.2340 0.4079 0.4079 11.8984 11.8984 13.1420 13.1420 13.1936 13.1936 14.4863 14.4863 15.8496 15.8496 15.9109 15.9109 16.4482 16.4482 17.4046 17.4046 k = 0.1269-0.0732 0.1036 ( 970 PWs) bands (ev): -40.0479 -40.0479 -17.3955 -17.3955 -15.2710 -15.2710 -15.2369 -15.2369 0.4361 0.4361 11.7660 11.7660 13.1053 13.1053 13.1578 13.1578 14.4398 14.4398 15.9404 15.9404 16.0013 16.0013 16.4676 16.4676 17.4576 17.4576 k = 0.1343-0.0776 0.1097 ( 974 PWs) bands (ev): -40.0468 -40.0468 -17.3995 -17.3995 -15.2777 -15.2777 -15.2399 -15.2399 0.4651 0.4651 11.6373 11.6373 13.0701 13.0701 13.1235 13.1235 14.3918 14.3918 16.0320 16.0320 16.0924 16.0924 16.4881 16.4881 17.5085 17.5085 k = 0.1418-0.0819 0.1158 ( 966 PWs) bands (ev): -40.0453 -40.0453 -17.4035 -17.4035 -15.2847 -15.2847 -15.2431 -15.2431 0.4947 0.4947 11.5126 11.5126 13.0365 13.0365 13.0909 13.0909 14.3424 14.3424 16.1242 16.1242 16.1838 16.1838 16.5101 16.5101 17.5582 17.5582 k = 0.1493-0.0862 0.1219 ( 966 PWs) bands (ev): -40.0440 -40.0440 -17.4077 -17.4077 -15.2918 -15.2918 -15.2464 -15.2464 0.5247 0.5247 11.3924 11.3924 13.0047 13.0047 13.0600 13.0600 14.2918 14.2918 16.2168 16.2168 16.2749 16.2749 16.5336 16.5336 17.6068 17.6068 k = 0.1567-0.0905 0.1280 ( 974 PWs) bands (ev): -40.0429 -40.0429 -17.4121 -17.4121 -15.2992 -15.2992 -15.2498 -15.2498 0.5550 0.5550 11.2770 11.2770 12.9746 12.9746 13.0308 13.0308 14.2401 14.2401 16.3094 16.3094 16.3646 16.3646 16.5595 16.5595 17.6547 17.6547 k = 0.1642-0.0948 0.1341 ( 974 PWs) bands (ev): -40.0415 -40.0415 -17.4166 -17.4166 -15.3068 -15.3068 -15.2533 -15.2533 0.5855 0.5855 11.1667 11.1667 12.9463 12.9463 13.0035 13.0035 14.1876 14.1876 16.4020 16.4020 16.4509 16.4509 16.5897 16.5897 17.7022 17.7022 k = 0.1716-0.0991 0.1401 ( 974 PWs) bands (ev): -40.0401 -40.0401 -17.4212 -17.4212 -15.3145 -15.3145 -15.2569 -15.2569 0.6158 0.6158 11.0617 11.0617 12.9198 12.9198 12.9780 12.9780 14.1344 14.1344 16.4942 16.4942 16.5277 16.5277 16.6299 16.6299 17.7495 17.7495 k = 0.1791-0.1034 0.1462 ( 978 PWs) bands (ev): -40.0388 -40.0388 -17.4260 -17.4260 -15.3223 -15.3223 -15.2605 -15.2605 0.6459 0.6459 10.9623 10.9623 12.8951 12.8951 12.9543 12.9543 14.0806 14.0806 16.5848 16.5848 16.5858 16.5858 16.6901 16.6901 17.7968 17.7968 k = 0.1866-0.1077 0.1523 ( 978 PWs) bands (ev): -40.0373 -40.0373 -17.4308 -17.4308 -15.3303 -15.3303 -15.2643 -15.2643 0.6756 0.6756 10.8688 10.8688 12.8723 12.8723 12.9324 12.9324 14.0264 14.0264 16.6242 16.6242 16.6767 16.6767 16.7679 16.7679 17.8442 17.8442 k = 0.1940-0.1120 0.1584 ( 978 PWs) bands (ev): -40.0358 -40.0358 -17.4357 -17.4357 -15.3384 -15.3384 -15.2682 -15.2682 0.7047 0.7047 10.7813 10.7813 12.8513 12.8513 12.9124 12.9124 13.9719 13.9719 16.6565 16.6565 16.7667 16.7667 16.8528 16.8528 17.8917 17.8917 k = 0.2015-0.1163 0.1645 ( 978 PWs) bands (ev): -40.0342 -40.0342 -17.4406 -17.4406 -15.3466 -15.3466 -15.2721 -15.2721 0.7331 0.7331 10.6999 10.6999 12.8322 12.8322 12.8943 12.8943 13.9173 13.9173 16.6864 16.6864 16.8554 16.8554 16.9394 16.9394 17.9395 17.9395 k = 0.2090-0.1206 0.1706 ( 982 PWs) bands (ev): -40.0328 -40.0328 -17.4457 -17.4457 -15.3548 -15.3548 -15.2760 -15.2760 0.7606 0.7606 10.6250 10.6250 12.8148 12.8148 12.8780 12.8780 13.8626 13.8626 16.7155 16.7155 16.9427 16.9427 17.0259 17.0259 17.9874 17.9874 k = 0.2164-0.1249 0.1767 ( 982 PWs) bands (ev): -40.0312 -40.0312 -17.4508 -17.4508 -15.3630 -15.3630 -15.2800 -15.2800 0.7870 0.7870 10.5566 10.5566 12.7993 12.7993 12.8635 12.8635 13.8081 13.8081 16.7446 16.7446 17.0284 17.0284 17.1116 17.1116 18.0355 18.0355 k = 0.2239-0.1293 0.1828 ( 982 PWs) bands (ev): -40.0296 -40.0296 -17.4559 -17.4559 -15.3713 -15.3713 -15.2841 -15.2841 0.8123 0.8123 10.4948 10.4948 12.7855 12.7855 12.8507 12.8507 13.7538 13.7538 16.7737 16.7737 17.1122 17.1122 17.1959 17.1959 18.0839 18.0839 k = 0.2313-0.1336 0.1889 ( 982 PWs) bands (ev): -40.0280 -40.0280 -17.4611 -17.4611 -15.3796 -15.3796 -15.2882 -15.2882 0.8362 0.8362 10.4397 10.4397 12.7735 12.7735 12.8397 12.8397 13.6998 13.6998 16.8029 16.8029 17.1941 17.1941 17.2785 17.2785 18.1324 18.1324 k = 0.2388-0.1379 0.1950 ( 982 PWs) bands (ev): -40.0263 -40.0263 -17.4662 -17.4662 -15.3878 -15.3878 -15.2923 -15.2923 0.8586 0.8586 10.3913 10.3913 12.7632 12.7632 12.8305 12.8305 13.6463 13.6463 16.8324 16.8324 17.2737 17.2737 17.3590 17.3590 18.1809 18.1809 k = 0.2463-0.1422 0.2011 ( 982 PWs) bands (ev): -40.0247 -40.0247 -17.4714 -17.4714 -15.3960 -15.3960 -15.2964 -15.2964 0.8796 0.8796 10.3498 10.3498 12.7545 12.7545 12.8228 12.8228 13.5934 13.5934 16.8620 16.8620 17.3509 17.3509 17.4373 17.4373 18.2294 18.2294 k = 0.2537-0.1465 0.2072 ( 982 PWs) bands (ev): -40.0231 -40.0231 -17.4766 -17.4766 -15.4042 -15.4042 -15.3005 -15.3005 0.8989 0.8989 10.3151 10.3151 12.7475 12.7475 12.8168 12.8168 13.5411 13.5411 16.8918 16.8918 17.4255 17.4255 17.5131 17.5131 18.2777 18.2777 k = 0.2612-0.1508 0.2133 ( 990 PWs) bands (ev): -40.0217 -40.0217 -17.4818 -17.4818 -15.4123 -15.4123 -15.3046 -15.3046 0.9165 0.9165 10.2871 10.2871 12.7420 12.7420 12.8124 12.8124 13.4896 13.4896 16.9217 16.9217 17.4973 17.4973 17.5862 17.5862 18.3258 18.3258 k = 0.2687-0.1551 0.2194 ( 990 PWs) bands (ev): -40.0201 -40.0201 -17.4869 -17.4869 -15.4203 -15.4203 -15.3087 -15.3087 0.9323 0.9323 10.2658 10.2658 12.7380 12.7380 12.8094 12.8094 13.4389 13.4389 16.9517 16.9517 17.5663 17.5663 17.6565 17.6565 18.3735 18.3735 k = 0.2761-0.1594 0.2255 ( 998 PWs) bands (ev): -40.0187 -40.0187 -17.4920 -17.4920 -15.4282 -15.4282 -15.3128 -15.3128 0.9464 0.9464 10.2512 10.2512 12.7355 12.7355 12.8079 12.8079 13.3891 13.3891 16.9815 16.9815 17.6322 17.6322 17.7239 17.7239 18.4205 18.4205 k = 0.2836-0.1637 0.2315 ( 998 PWs) bands (ev): -40.0171 -40.0171 -17.4970 -17.4970 -15.4360 -15.4360 -15.3168 -15.3168 0.9587 0.9587 10.2430 10.2430 12.7343 12.7343 12.8078 12.8078 13.3403 13.3403 17.0114 17.0114 17.6950 17.6950 17.7882 17.7882 18.4669 18.4669 k = 0.2910-0.1680 0.2376 ( 998 PWs) bands (ev): -40.0155 -40.0155 -17.5020 -17.5020 -15.4436 -15.4436 -15.3208 -15.3208 0.9692 0.9692 10.2412 10.2412 12.7345 12.7345 12.8089 12.8089 13.2926 13.2926 17.0412 17.0412 17.7545 17.7545 17.8492 17.8492 18.5123 18.5123 k = 0.2985-0.1723 0.2437 ( 998 PWs) bands (ev): -40.0139 -40.0139 -17.5069 -17.5069 -15.4511 -15.4511 -15.3248 -15.3248 0.9779 0.9779 10.2454 10.2454 12.7358 12.7358 12.8113 12.8113 13.2460 13.2460 17.0708 17.0708 17.8107 17.8107 17.9070 17.9070 18.5566 18.5566 k = 0.3060-0.1767 0.2498 ( 998 PWs) bands (ev): -40.0124 -40.0124 -17.5117 -17.5117 -15.4584 -15.4584 -15.3287 -15.3287 0.9849 0.9849 10.2556 10.2556 12.7384 12.7384 12.8148 12.8148 13.2006 13.2006 17.1001 17.1001 17.8636 17.8636 17.9613 17.9613 18.5995 18.5995 k = 0.3134-0.1810 0.2559 ( 1002 PWs) bands (ev): -40.0110 -40.0110 -17.5164 -17.5164 -15.4656 -15.4656 -15.3325 -15.3325 0.9902 0.9902 10.2714 10.2714 12.7420 12.7420 12.8194 12.8194 13.1565 13.1565 17.1291 17.1291 17.9129 17.9129 18.0123 18.0123 18.6408 18.6408 k = 0.3209-0.1853 0.2620 ( 1002 PWs) bands (ev): -40.0095 -40.0095 -17.5210 -17.5210 -15.4726 -15.4726 -15.3362 -15.3362 0.9939 0.9939 10.2925 10.2925 12.7466 12.7466 12.8249 12.8249 13.1138 13.1138 17.1577 17.1577 17.9589 17.9589 18.0598 18.0598 18.6803 18.6803 k = 0.3284-0.1896 0.2681 ( 1002 PWs) bands (ev): -40.0081 -40.0081 -17.5255 -17.5255 -15.4793 -15.4793 -15.3399 -15.3399 0.9962 0.9962 10.3186 10.3186 12.7521 12.7521 12.8313 12.8313 13.0724 13.0724 17.1859 17.1859 18.0014 18.0014 18.1039 18.1039 18.7178 18.7178 k = 0.3358-0.1939 0.2742 ( 1002 PWs) bands (ev): -40.0066 -40.0066 -17.5299 -17.5299 -15.4859 -15.4859 -15.3435 -15.3435 0.9970 0.9970 10.3493 10.3493 12.7585 12.7585 12.8385 12.8385 13.0325 13.0325 17.2136 17.2136 18.0405 18.0405 18.1445 18.1445 18.7529 18.7529 k = 0.3433-0.1982 0.2803 ( 1002 PWs) bands (ev): -40.0052 -40.0052 -17.5341 -17.5341 -15.4922 -15.4922 -15.3469 -15.3469 0.9965 0.9965 10.3843 10.3843 12.7655 12.7655 12.8463 12.8463 12.9941 12.9941 17.2406 17.2406 18.0763 18.0763 18.1818 18.1818 18.7856 18.7856 k = 0.3507-0.2025 0.2864 ( 998 PWs) bands (ev): -40.0038 -40.0038 -17.5382 -17.5382 -15.4983 -15.4983 -15.3503 -15.3503 0.9949 0.9949 10.4230 10.4230 12.7732 12.7732 12.8546 12.8546 12.9574 12.9574 17.2670 17.2670 18.1088 18.1088 18.2157 18.2157 18.8155 18.8155 k = 0.3582-0.2068 0.2925 ( 1006 PWs) bands (ev): -40.0027 -40.0027 -17.5422 -17.5422 -15.5041 -15.5041 -15.3536 -15.3536 0.9922 0.9922 10.4651 10.4651 12.7814 12.7814 12.8629 12.8629 12.9226 12.9226 17.2925 17.2925 18.1381 18.1381 18.2465 18.2465 18.8424 18.8424 k = 0.3657-0.2111 0.2986 ( 998 PWs) bands (ev): -40.0012 -40.0012 -17.5460 -17.5460 -15.5097 -15.5097 -15.3567 -15.3567 0.9886 0.9886 10.5100 10.5100 12.7900 12.7900 12.8689 12.8689 12.8921 12.8921 17.3173 17.3173 18.1644 18.1644 18.2742 18.2742 18.8663 18.8663 k = 0.3731-0.2154 0.3047 ( 990 PWs) bands (ev): -39.9998 -39.9998 -17.5496 -17.5496 -15.5150 -15.5150 -15.3597 -15.3597 0.9843 0.9843 10.5573 10.5573 12.7989 12.7989 12.8521 12.8521 12.8864 12.8864 17.3414 17.3414 18.1878 18.1878 18.2990 18.2990 18.8868 18.8868 k = 0.3806-0.2197 0.3108 ( 990 PWs) bands (ev): -39.9986 -39.9986 -17.5530 -17.5530 -15.5201 -15.5201 -15.3625 -15.3625 0.9793 0.9793 10.6063 10.6063 12.8081 12.8081 12.8231 12.8231 12.8947 12.8947 17.3644 17.3644 18.2084 18.2084 18.3210 18.3210 18.9039 18.9039 k = 0.3881-0.2240 0.3168 ( 990 PWs) bands (ev): -39.9975 -39.9975 -17.5563 -17.5563 -15.5249 -15.5249 -15.3652 -15.3652 0.9737 0.9737 10.6566 10.6566 12.7947 12.7947 12.8173 12.8173 12.9043 12.9043 17.3863 17.3863 18.2265 18.2265 18.3404 18.3404 18.9177 18.9177 k = 0.3955-0.2284 0.3229 ( 990 PWs) bands (ev): -39.9965 -39.9965 -17.5594 -17.5594 -15.5294 -15.5294 -15.3678 -15.3678 0.9679 0.9679 10.7075 10.7075 12.7678 12.7678 12.8266 12.8266 12.9140 12.9140 17.4072 17.4072 18.2421 18.2421 18.3573 18.3573 18.9281 18.9281 k = 0.4030-0.2327 0.3290 ( 990 PWs) bands (ev): -39.9955 -39.9955 -17.5623 -17.5623 -15.5336 -15.5336 -15.3702 -15.3702 0.9618 0.9618 10.7586 10.7586 12.7426 12.7426 12.8358 12.8358 12.9236 12.9236 17.4269 17.4269 18.2554 18.2554 18.3719 18.3719 18.9352 18.9352 k = 0.4104-0.2370 0.3351 ( 990 PWs) bands (ev): -39.9946 -39.9946 -17.5650 -17.5650 -15.5375 -15.5375 -15.3725 -15.3725 0.9556 0.9556 10.8091 10.8091 12.7191 12.7191 12.8448 12.8448 12.9331 12.9331 17.4454 17.4454 18.2667 18.2667 18.3845 18.3845 18.9394 18.9394 k = 0.4179-0.2413 0.3412 ( 990 PWs) bands (ev): -39.9938 -39.9938 -17.5676 -17.5676 -15.5412 -15.5412 -15.3746 -15.3746 0.9494 0.9494 10.8585 10.8585 12.6974 12.6974 12.8535 12.8535 12.9423 12.9423 17.4627 17.4627 18.2762 18.2762 18.3952 18.3952 18.9407 18.9407 k = 0.4254-0.2456 0.3473 ( 998 PWs) bands (ev): -39.9933 -39.9933 -17.5699 -17.5699 -15.5445 -15.5445 -15.3766 -15.3766 0.9433 0.9433 10.9061 10.9061 12.6775 12.6775 12.8618 12.8618 12.9510 12.9510 17.4786 17.4786 18.2839 18.2839 18.4041 18.4041 18.9396 18.9396 k = 0.4328-0.2499 0.3534 ( 998 PWs) bands (ev): -39.9926 -39.9926 -17.5720 -17.5720 -15.5476 -15.5476 -15.3783 -15.3783 0.9375 0.9375 10.9515 10.9515 12.6594 12.6594 12.8696 12.8696 12.9592 12.9592 17.4932 17.4932 18.2903 18.2903 18.4116 18.4116 18.9365 18.9365 k = 0.4403-0.2542 0.3595 ( 990 PWs) bands (ev): -39.9917 -39.9917 -17.5739 -17.5739 -15.5503 -15.5503 -15.3799 -15.3799 0.9320 0.9320 10.9939 10.9939 12.6432 12.6432 12.8769 12.8769 12.9668 12.9668 17.5064 17.5064 18.2955 18.2955 18.4179 18.4179 18.9319 18.9319 k = 0.4478-0.2585 0.3656 ( 990 PWs) bands (ev): -39.9911 -39.9911 -17.5756 -17.5756 -15.5527 -15.5527 -15.3813 -15.3813 0.9269 0.9269 11.0328 11.0328 12.6289 12.6289 12.8835 12.8835 12.9737 12.9737 17.5181 17.5181 18.2995 18.2995 18.4229 18.4229 18.9261 18.9261 k = 0.4552-0.2628 0.3717 ( 986 PWs) bands (ev): -39.9905 -39.9905 -17.5770 -17.5770 -15.5547 -15.5547 -15.3825 -15.3825 0.9224 0.9224 11.0678 11.0678 12.6165 12.6165 12.8894 12.8894 12.9799 12.9799 17.5284 17.5284 18.3027 18.3027 18.4269 18.4269 18.9198 18.9198 k = 0.4627-0.2671 0.3778 ( 986 PWs) bands (ev): -39.9900 -39.9900 -17.5783 -17.5783 -15.5565 -15.5565 -15.3836 -15.3836 0.9184 0.9184 11.0982 11.0982 12.6059 12.6059 12.8945 12.8945 12.9852 12.9852 17.5371 17.5371 18.3050 18.3050 18.4301 18.4301 18.9135 18.9135 k = 0.4701-0.2714 0.3839 ( 986 PWs) bands (ev): -39.9897 -39.9897 -17.5793 -17.5793 -15.5580 -15.5580 -15.3844 -15.3844 0.9151 0.9151 11.1238 11.1238 12.5973 12.5973 12.8988 12.8988 12.9896 12.9896 17.5443 17.5443 18.3067 18.3067 18.4325 18.4325 18.9076 18.9076 k = 0.4776-0.2757 0.3900 ( 982 PWs) bands (ev): -39.9893 -39.9893 -17.5801 -17.5801 -15.5591 -15.5591 -15.3851 -15.3851 0.9124 0.9124 11.1441 11.1441 12.5905 12.5905 12.9021 12.9021 12.9931 12.9931 17.5499 17.5499 18.3079 18.3079 18.4343 18.4343 18.9025 18.9025 k = 0.4851-0.2801 0.3961 ( 982 PWs) bands (ev): -39.9891 -39.9891 -17.5806 -17.5806 -15.5599 -15.5599 -15.3856 -15.3856 0.9105 0.9105 11.1588 11.1588 12.5857 12.5857 12.9046 12.9046 12.9957 12.9957 17.5539 17.5539 18.3087 18.3087 18.4355 18.4355 18.8986 18.8986 k = 0.4925-0.2844 0.4022 ( 982 PWs) bands (ev): -39.9890 -39.9890 -17.5810 -17.5810 -15.5604 -15.5604 -15.3859 -15.3859 0.9093 0.9093 11.1677 11.1677 12.5828 12.5828 12.9061 12.9061 12.9972 12.9972 17.5563 17.5563 18.3091 18.3091 18.4362 18.4362 18.8962 18.8962 k = 0.5000-0.2887 0.4082 ( 982 PWs) bands (ev): -39.9890 -39.9890 -17.5811 -17.5811 -15.5606 -15.5606 -15.3860 -15.3860 0.9089 0.9089 11.1707 11.1707 12.5819 12.5819 12.9065 12.9065 12.9977 12.9977 17.5571 17.5571 18.3093 18.3093 18.4364 18.4364 18.8954 18.8954 k = 0.5000-0.2887 0.4082 ( 982 PWs) bands (ev): -39.9890 -39.9890 -17.5811 -17.5811 -15.5606 -15.5606 -15.3860 -15.3860 0.9089 0.9089 11.1707 11.1707 12.5819 12.5819 12.9065 12.9065 12.9977 12.9977 17.5571 17.5571 18.3093 18.3093 18.4364 18.4364 18.8954 18.8954 k = 0.5000-0.2802 0.4143 ( 982 PWs) bands (ev): -39.9890 -39.9890 -17.5811 -17.5811 -15.5605 -15.5605 -15.3861 -15.3861 0.9097 0.9097 11.1705 11.1705 12.5653 12.5653 12.9120 12.9120 13.0047 13.0047 17.5625 17.5625 18.3085 18.3085 18.4356 18.4356 18.8965 18.8965 k = 0.5000-0.2717 0.4203 ( 982 PWs) bands (ev): -39.9890 -39.9890 -17.5811 -17.5811 -15.5603 -15.5603 -15.3863 -15.3863 0.9118 0.9118 11.1698 11.1698 12.5231 12.5231 12.9110 12.9110 13.0359 13.0359 17.5784 17.5784 18.3062 18.3062 18.4333 18.4333 18.8999 18.8999 k = 0.5000-0.2632 0.4263 ( 982 PWs) bands (ev): -39.9890 -39.9890 -17.5811 -17.5811 -15.5601 -15.5601 -15.3868 -15.3868 0.9154 0.9154 11.1688 11.1688 12.4674 12.4674 12.8894 12.8894 13.0935 13.0935 17.6042 17.6042 18.3022 18.3022 18.4296 18.4296 18.9057 18.9057 k = 0.5000-0.2547 0.4323 ( 982 PWs) bands (ev): -39.9890 -39.9890 -17.5811 -17.5811 -15.5597 -15.5597 -15.3874 -15.3874 0.9204 0.9204 11.1674 11.1674 12.4058 12.4058 12.8519 12.8519 13.1661 13.1661 17.6392 17.6392 18.2960 18.2960 18.4249 18.4249 18.9139 18.9139 k = 0.5000-0.2462 0.4383 ( 982 PWs) bands (ev): -39.9890 -39.9890 -17.5810 -17.5810 -15.5592 -15.5592 -15.3882 -15.3882 0.9267 0.9267 11.1656 11.1656 12.3420 12.3420 12.8024 12.8024 13.2469 13.2469 17.6822 17.6822 18.2872 18.2872 18.4197 18.4197 18.9247 18.9247 k = 0.5000-0.2377 0.4443 ( 986 PWs) bands (ev): -39.9891 -39.9891 -17.5810 -17.5810 -15.5586 -15.5586 -15.3892 -15.3892 0.9343 0.9343 11.1635 11.1635 12.2778 12.2778 12.7429 12.7429 13.3329 13.3329 17.7317 17.7317 18.2752 18.2752 18.4145 18.4145 18.9383 18.9383 k = 0.5000-0.2292 0.4503 ( 986 PWs) bands (ev): -39.9891 -39.9891 -17.5810 -17.5810 -15.5580 -15.5580 -15.3904 -15.3904 0.9432 0.9432 11.1610 11.1610 12.2143 12.2143 12.6750 12.6750 13.4228 13.4228 17.7862 17.7862 18.2594 18.2594 18.4099 18.4099 18.9548 18.9548 k = 0.5000-0.2208 0.4563 ( 986 PWs) bands (ev): -39.9891 -39.9891 -17.5810 -17.5810 -15.5572 -15.5572 -15.3917 -15.3917 0.9533 0.9533 11.1583 11.1583 12.1519 12.1519 12.6001 12.6001 13.5158 13.5158 17.8442 17.8442 18.2395 18.2395 18.4062 18.4062 18.9745 18.9745 k = 0.5000-0.2123 0.4623 ( 988 PWs) bands (ev): -39.9891 -39.9891 -17.5809 -17.5809 -15.5563 -15.5563 -15.3931 -15.3931 0.9646 0.9646 11.1553 11.1553 12.0910 12.0910 12.5194 12.5194 13.6114 13.6114 17.9039 17.9039 18.2153 18.2153 18.4037 18.4037 18.9975 18.9975 k = 0.5000-0.2038 0.4683 ( 986 PWs) bands (ev): -39.9891 -39.9891 -17.5809 -17.5809 -15.5553 -15.5553 -15.3947 -15.3947 0.9768 0.9768 11.1521 11.1521 12.0319 12.0319 12.4340 12.4340 13.7092 13.7092 17.9637 17.9637 18.1867 18.1867 18.4025 18.4025 19.0242 19.0242 k = 0.5000-0.1953 0.4743 ( 986 PWs) bands (ev): -39.9891 -39.9891 -17.5808 -17.5808 -15.5542 -15.5542 -15.3965 -15.3965 0.9901 0.9901 11.1487 11.1487 11.9746 11.9746 12.3451 12.3451 13.8092 13.8092 18.0220 18.0220 18.1537 18.1537 18.4027 18.4027 19.0546 19.0546 k = 0.5000-0.1868 0.4803 ( 986 PWs) bands (ev): -39.9891 -39.9891 -17.5808 -17.5808 -15.5530 -15.5530 -15.3984 -15.3984 1.0041 1.0041 11.1453 11.1453 11.9192 11.9192 12.2538 12.2538 13.9110 13.9110 18.0769 18.0769 18.1169 18.1169 18.4043 18.4043 19.0887 19.0887 k = 0.5000-0.1783 0.4863 ( 982 PWs) bands (ev): -39.9889 -39.9889 -17.5807 -17.5807 -15.5517 -15.5517 -15.4004 -15.4004 1.0190 1.0190 11.1418 11.1418 11.8658 11.8658 12.1609 12.1609 14.0145 14.0145 18.0737 18.0737 18.1296 18.1296 18.4075 18.4075 19.1264 19.1264 k = 0.5000-0.1698 0.4923 ( 986 PWs) bands (ev): -39.9890 -39.9890 -17.5807 -17.5807 -15.5504 -15.5504 -15.4025 -15.4025 1.0344 1.0344 11.1383 11.1383 11.8145 11.8145 12.0673 12.0673 14.1196 14.1196 18.0280 18.0280 18.1752 18.1752 18.4127 18.4127 19.1673 19.1673 k = 0.5000-0.1613 0.4983 ( 986 PWs) bands (ev): -39.9890 -39.9890 -17.5806 -17.5806 -15.5490 -15.5490 -15.4047 -15.4047 1.0504 1.0504 11.1349 11.1349 11.7653 11.7653 11.9739 11.9739 14.2262 14.2262 17.9780 17.9780 18.2149 18.2149 18.4201 18.4201 19.2111 19.2111 k = 0.5000-0.1528 0.5043 ( 986 PWs) bands (ev): -39.9890 -39.9890 -17.5805 -17.5805 -15.5474 -15.5474 -15.4070 -15.4070 1.0668 1.0668 11.1316 11.1316 11.7180 11.7180 11.8813 11.8813 14.3342 14.3342 17.9238 17.9238 18.2478 18.2478 18.4302 18.4302 19.2570 19.2570 k = 0.5000-0.1443 0.5103 ( 986 PWs) bands (ev): -39.9890 -39.9890 -17.5805 -17.5805 -15.5459 -15.5459 -15.4094 -15.4094 1.0834 1.0834 11.1284 11.1284 11.6728 11.6728 11.7905 11.7905 14.4434 14.4434 17.8656 17.8656 18.2738 18.2738 18.4430 18.4430 19.3043 19.3043 k = 0.5000-0.1358 0.5163 ( 988 PWs) bands (ev): -39.9891 -39.9891 -17.5804 -17.5804 -15.5442 -15.5442 -15.4119 -15.4119 1.1001 1.1001 11.1255 11.1255 11.6295 11.6295 11.7021 11.7021 14.5537 14.5537 17.8034 17.8034 18.2935 18.2935 18.4581 18.4581 19.3521 19.3521 k = 0.5000-0.1274 0.5223 ( 988 PWs) bands (ev): -39.9891 -39.9891 -17.5804 -17.5804 -15.5425 -15.5425 -15.4143 -15.4143 1.1168 1.1168 11.1229 11.1229 11.5865 11.5865 11.6181 11.6181 14.6651 14.6651 17.7374 17.7374 18.3079 18.3079 18.4747 18.4747 19.3997 19.3997 k = 0.5000-0.1189 0.5283 ( 988 PWs) bands (ev): -39.9891 -39.9891 -17.5803 -17.5803 -15.5408 -15.5408 -15.4169 -15.4169 1.1333 1.1333 11.1206 11.1206 11.5274 11.5274 11.5558 11.5558 14.7773 14.7773 17.6675 17.6675 18.3184 18.3184 18.4918 18.4918 19.4462 19.4462 k = 0.5000-0.1104 0.5343 ( 988 PWs) bands (ev): -39.9891 -39.9891 -17.5803 -17.5803 -15.5390 -15.5390 -15.4194 -15.4194 1.1495 1.1495 11.1186 11.1186 11.4509 11.4509 11.5167 11.5167 14.8903 14.8903 17.5940 17.5940 18.3260 18.3260 18.5086 18.5086 19.4911 19.4911 k = 0.5000-0.1019 0.5403 ( 984 PWs) bands (ev): -39.9889 -39.9889 -17.5802 -17.5802 -15.5372 -15.5372 -15.4219 -15.4219 1.1652 1.1652 11.1171 11.1171 11.3767 11.3767 11.4817 11.4817 15.0038 15.0038 17.5169 17.5169 18.3318 18.3318 18.5247 18.5247 19.5337 19.5337 k = 0.5000-0.0934 0.5463 ( 982 PWs) bands (ev): -39.9889 -39.9889 -17.5802 -17.5802 -15.5355 -15.5355 -15.4244 -15.4244 1.1803 1.1803 11.1157 11.1157 11.3070 11.3070 11.4493 11.4493 15.1180 15.1180 17.4363 17.4363 18.3361 18.3361 18.5395 18.5395 19.5737 19.5737 k = 0.5000-0.0849 0.5523 ( 982 PWs) bands (ev): -39.9889 -39.9889 -17.5801 -17.5801 -15.5337 -15.5337 -15.4268 -15.4268 1.1947 1.1947 11.1143 11.1143 11.2427 11.2427 11.4190 11.4190 15.2324 15.2324 17.3524 17.3524 18.3394 18.3394 18.5531 18.5531 19.6105 19.6105 k = 0.5000-0.0764 0.5583 ( 986 PWs) bands (ev): -39.9890 -39.9890 -17.5801 -17.5801 -15.5320 -15.5320 -15.4291 -15.4291 1.2082 1.2082 11.1114 11.1114 11.1858 11.1858 11.3909 11.3909 15.3471 15.3471 17.2652 17.2652 18.3420 18.3420 18.5652 18.5652 19.6441 19.6441 k = 0.5000-0.0679 0.5643 ( 986 PWs) bands (ev): -39.9890 -39.9890 -17.5800 -17.5800 -15.5304 -15.5304 -15.4313 -15.4313 1.2206 1.2206 11.0993 11.0993 11.1442 11.1442 11.3650 11.3650 15.4619 15.4619 17.1751 17.1751 18.3441 18.3441 18.5761 18.5761 19.6743 19.6743 k = 0.5000-0.0594 0.5703 ( 986 PWs) bands (ev): -39.9890 -39.9890 -17.5800 -17.5800 -15.5288 -15.5288 -15.4334 -15.4334 1.2319 1.2319 11.0654 11.0654 11.1309 11.1309 11.3413 11.3413 15.5766 15.5766 17.0821 17.0821 18.3457 18.3457 18.5856 18.5856 19.7009 19.7009 k = 0.5000-0.0509 0.5764 ( 986 PWs) bands (ev): -39.9890 -39.9890 -17.5800 -17.5800 -15.5274 -15.5274 -15.4353 -15.4353 1.2419 1.2419 11.0261 11.0261 11.1296 11.1296 11.3199 11.3199 15.6911 15.6911 16.9864 16.9864 18.3470 18.3470 18.5938 18.5938 19.7239 19.7239 k = 0.5000-0.0425 0.5824 ( 976 PWs) bands (ev): -39.9887 -39.9887 -17.5799 -17.5799 -15.5261 -15.5261 -15.4369 -15.4369 1.2506 1.2506 10.9908 10.9908 11.1311 11.1311 11.3008 11.3008 15.8052 15.8052 16.8883 16.8883 18.3481 18.3481 18.6007 18.6007 19.7434 19.7434 k = 0.5000-0.0340 0.5884 ( 984 PWs) bands (ev): -39.9889 -39.9889 -17.5799 -17.5799 -15.5250 -15.5250 -15.4384 -15.4384 1.2578 1.2578 10.9611 10.9611 11.1336 11.1336 11.2843 11.2843 15.9186 15.9186 16.7878 16.7878 18.3489 18.3489 18.6062 18.6062 19.7592 19.7592 k = 0.5000-0.0255 0.5944 ( 988 PWs) bands (ev): -39.9890 -39.9890 -17.5799 -17.5799 -15.5241 -15.5241 -15.4396 -15.4396 1.2635 1.2635 10.9378 10.9378 11.1365 11.1365 11.2708 11.2708 16.0312 16.0312 16.6852 16.6852 18.3495 18.3495 18.6105 18.6105 19.7715 19.7715 k = 0.5000-0.0170 0.6004 ( 992 PWs) bands (ev): -39.9892 -39.9892 -17.5799 -17.5799 -15.5234 -15.5234 -15.4404 -15.4404 1.2677 1.2677 10.9209 10.9209 11.1392 11.1392 11.2605 11.2605 16.1427 16.1427 16.5809 16.5809 18.3499 18.3499 18.6136 18.6136 19.7801 19.7801 k = 0.5000-0.0085 0.6064 ( 992 PWs) bands (ev): -39.9892 -39.9892 -17.5799 -17.5799 -15.5230 -15.5230 -15.4410 -15.4410 1.2701 1.2701 10.9108 10.9108 11.1411 11.1411 11.2540 11.2540 16.2522 16.2522 16.4756 16.4756 18.3501 18.3501 18.6155 18.6155 19.7853 19.7853 k = 0.5000 0.0000 0.6124 ( 992 PWs) bands (ev): -39.9892 -39.9892 -17.5799 -17.5799 -15.5229 -15.5229 -15.4411 -15.4411 1.2710 1.2710 10.9074 10.9074 11.1419 11.1419 11.2517 11.2517 16.3400 16.3400 16.3893 16.3893 18.3502 18.3502 18.6161 18.6161 19.7871 19.7871 k = 0.5000 0.0000 0.6124 ( 992 PWs) bands (ev): -39.9892 -39.9892 -17.5799 -17.5799 -15.5229 -15.5229 -15.4411 -15.4411 1.2710 1.2710 10.9074 10.9074 11.1419 11.1419 11.2517 11.2517 16.3400 16.3400 16.3893 16.3893 18.3502 18.3502 18.6161 18.6161 19.7871 19.7871 k = 0.4948 0.0090 0.6124 ( 992 PWs) bands (ev): -39.9892 -39.9892 -17.5799 -17.5799 -15.5230 -15.5230 -15.4409 -15.4409 1.2708 1.2708 10.9057 10.9057 11.1425 11.1425 11.2536 11.2536 16.2833 16.2833 16.4454 16.4454 18.3500 18.3500 18.6170 18.6170 19.7875 19.7875 k = 0.4896 0.0180 0.6124 ( 992 PWs) bands (ev): -39.9892 -39.9892 -17.5798 -17.5798 -15.5234 -15.5234 -15.4403 -15.4403 1.2705 1.2705 10.9007 10.9007 11.1437 11.1437 11.2596 11.2596 16.2071 16.2071 16.5200 16.5200 18.3493 18.3493 18.6200 18.6200 19.7884 19.7884 k = 0.4844 0.0271 0.6124 ( 988 PWs) bands (ev): -39.9891 -39.9891 -17.5797 -17.5797 -15.5240 -15.5240 -15.4392 -15.4392 1.2699 1.2699 10.8929 10.8929 11.1446 11.1446 11.2701 11.2701 16.1292 16.1292 16.5952 16.5952 18.3481 18.3481 18.6255 18.6255 19.7897 19.7897 k = 0.4792 0.0361 0.6124 ( 984 PWs) bands (ev): -39.9890 -39.9890 -17.5796 -17.5796 -15.5249 -15.5249 -15.4378 -15.4378 1.2691 1.2691 10.8829 10.8829 11.1446 11.1446 11.2853 11.2853 16.0506 16.0506 16.6700 16.6700 18.3462 18.3462 18.6336 18.6336 19.7912 19.7912 k = 0.4740 0.0451 0.6124 ( 986 PWs) bands (ev): -39.9892 -39.9892 -17.5795 -17.5795 -15.5259 -15.5259 -15.4362 -15.4362 1.2681 1.2681 10.8711 10.8711 11.1436 11.1436 11.3045 11.3045 15.9718 15.9718 16.7442 16.7442 18.3435 18.3435 18.6446 18.6446 19.7925 19.7925 k = 0.4688 0.0541 0.6124 ( 988 PWs) bands (ev): -39.9893 -39.9893 -17.5794 -17.5794 -15.5272 -15.5272 -15.4342 -15.4342 1.2670 1.2670 10.8581 10.8581 11.1420 11.1420 11.3270 11.3270 15.8931 15.8931 16.8177 16.8177 18.3395 18.3395 18.6586 18.6586 19.7935 19.7935 k = 0.4635 0.0631 0.6124 ( 986 PWs) bands (ev): -39.9893 -39.9893 -17.5792 -17.5792 -15.5285 -15.5285 -15.4321 -15.4321 1.2657 1.2657 10.8441 10.8441 11.1398 11.1398 11.3524 11.3524 15.8148 15.8148 16.8903 16.8903 18.3344 18.3344 18.6758 18.6758 19.7940 19.7940 k = 0.4583 0.0722 0.6124 ( 990 PWs) bands (ev): -39.9895 -39.9895 -17.5791 -17.5791 -15.5299 -15.5299 -15.4298 -15.4298 1.2644 1.2644 10.8295 10.8295 11.1374 11.1374 11.3798 11.3798 15.7371 15.7371 16.9618 16.9618 18.3276 18.3276 18.6960 18.6960 19.7938 19.7938 k = 0.4531 0.0812 0.6124 ( 990 PWs) bands (ev): -39.9896 -39.9896 -17.5789 -17.5789 -15.5314 -15.5314 -15.4274 -15.4274 1.2629 1.2629 10.8145 10.8145 11.1348 11.1348 11.4088 11.4088 15.6606 15.6606 17.0323 17.0323 18.3192 18.3192 18.7191 18.7191 19.7929 19.7929 k = 0.4479 0.0902 0.6124 ( 988 PWs) bands (ev): -39.9897 -39.9897 -17.5787 -17.5787 -15.5329 -15.5329 -15.4250 -15.4250 1.2614 1.2614 10.7995 10.7995 11.1323 11.1323 11.4390 11.4390 15.5857 15.5857 17.1016 17.1016 18.3090 18.3090 18.7448 18.7448 19.7911 19.7911 k = 0.4427 0.0992 0.6124 ( 988 PWs) bands (ev): -39.9898 -39.9898 -17.5786 -17.5786 -15.5344 -15.5344 -15.4225 -15.4225 1.2599 1.2599 10.7847 10.7847 11.1298 11.1298 11.4697 11.4697 15.5127 15.5127 17.1696 17.1696 18.2969 18.2969 18.7729 18.7729 19.7883 19.7883 k = 0.4375 0.1083 0.6124 ( 988 PWs) bands (ev): -39.9899 -39.9899 -17.5784 -17.5784 -15.5359 -15.5359 -15.4201 -15.4201 1.2584 1.2584 10.7701 10.7701 11.1275 11.1275 11.5008 11.5008 15.4421 15.4421 17.2362 17.2362 18.2828 18.2828 18.8028 18.8028 19.7846 19.7846 k = 0.4323 0.1173 0.6124 ( 989 PWs) bands (ev): -39.9900 -39.9900 -17.5782 -17.5782 -15.5373 -15.5373 -15.4178 -15.4178 1.2569 1.2569 10.7561 10.7561 11.1253 11.1253 11.5316 11.5316 15.3744 15.3744 17.3013 17.3013 18.2666 18.2666 18.8341 18.8341 19.7798 19.7798 k = 0.4271 0.1263 0.6124 ( 993 PWs) bands (ev): -39.9902 -39.9902 -17.5781 -17.5781 -15.5386 -15.5386 -15.4155 -15.4155 1.2554 1.2554 10.7427 10.7427 11.1234 11.1234 11.5619 11.5619 15.3100 15.3100 17.3647 17.3647 18.2483 18.2483 18.8663 18.8663 19.7740 19.7740 k = 0.4219 0.1353 0.6124 ( 993 PWs) bands (ev): -39.9903 -39.9903 -17.5780 -17.5780 -15.5399 -15.5399 -15.4134 -15.4134 1.2540 1.2540 10.7302 10.7302 11.1216 11.1216 11.5911 11.5911 15.2497 15.2497 17.4264 17.4264 18.2280 18.2280 18.8988 18.8988 19.7674 19.7674 k = 0.4167 0.1443 0.6124 ( 995 PWs) bands (ev): -39.9904 -39.9904 -17.5778 -17.5778 -15.5411 -15.5411 -15.4115 -15.4115 1.2527 1.2527 10.7186 10.7186 11.1200 11.1200 11.6188 11.6188 15.1938 15.1938 17.4861 17.4861 18.2057 18.2057 18.9309 18.9309 19.7600 19.7600 k = 0.4115 0.1534 0.6124 ( 994 PWs) bands (ev): -39.9905 -39.9905 -17.5777 -17.5777 -15.5421 -15.5421 -15.4097 -15.4097 1.2515 1.2515 10.7081 10.7081 11.1186 11.1186 11.6446 11.6446 15.1429 15.1429 17.5437 17.5437 18.1814 18.1814 18.9619 18.9619 19.7521 19.7521 k = 0.4062 0.1624 0.6124 ( 992 PWs) bands (ev): -39.9905 -39.9905 -17.5776 -17.5776 -15.5430 -15.5430 -15.4081 -15.4081 1.2504 1.2504 10.6988 10.6988 11.1174 11.1174 11.6681 11.6681 15.0975 15.0975 17.5990 17.5990 18.1552 18.1552 18.9912 18.9912 19.7439 19.7439 k = 0.4010 0.1714 0.6124 ( 992 PWs) bands (ev): -39.9905 -39.9905 -17.5775 -17.5775 -15.5438 -15.5438 -15.4067 -15.4067 1.2494 1.2494 10.6907 10.6907 11.1164 11.1164 11.6888 11.6888 15.0581 15.0581 17.6515 17.6515 18.1275 18.1275 19.0179 19.0179 19.7357 19.7357 k = 0.3958 0.1804 0.6124 ( 988 PWs) bands (ev): -39.9904 -39.9904 -17.5774 -17.5774 -15.5445 -15.5445 -15.4055 -15.4055 1.2486 1.2486 10.6840 10.6840 11.1156 11.1156 11.7064 11.7064 15.0252 15.0252 17.7007 17.7007 18.0988 18.0988 19.0413 19.0413 19.7281 19.7281 k = 0.3906 0.1894 0.6124 ( 984 PWs) bands (ev): -39.9904 -39.9904 -17.5774 -17.5774 -15.5450 -15.5450 -15.4046 -15.4046 1.2480 1.2480 10.6788 10.6788 11.1149 11.1149 11.7205 11.7205 14.9992 14.9992 17.7455 17.7455 18.0700 18.0700 19.0605 19.0605 19.7215 19.7215 k = 0.3854 0.1985 0.6124 ( 984 PWs) bands (ev): -39.9904 -39.9904 -17.5773 -17.5773 -15.5453 -15.5453 -15.4040 -15.4040 1.2475 1.2475 10.6750 10.6750 11.1145 11.1145 11.7307 11.7307 14.9803 14.9803 17.7840 17.7840 18.0430 18.0430 19.0748 19.0748 19.7163 19.7163 k = 0.3802 0.2075 0.6124 ( 983 PWs) bands (ev): -39.9904 -39.9904 -17.5773 -17.5773 -15.5456 -15.5456 -15.4036 -15.4036 1.2473 1.2473 10.6727 10.6727 11.1142 11.1142 11.7370 11.7370 14.9689 14.9689 17.8119 17.8119 18.0219 18.0219 19.0837 19.0837 19.7130 19.7130 k = 0.3750 0.2165 0.6124 ( 977 PWs) bands (ev): -39.9902 -39.9902 -17.5773 -17.5773 -15.5456 -15.5456 -15.4034 -15.4034 1.2472 1.2472 10.6719 10.6719 11.1141 11.1141 11.7391 11.7391 14.9651 14.9651 17.8226 17.8226 18.0136 18.0136 19.0868 19.0868 19.7120 19.7120 k = 0.3750 0.2165 0.6124 ( 977 PWs) bands (ev): -39.9902 -39.9902 -17.5773 -17.5773 -15.5456 -15.5456 -15.4034 -15.4034 1.2472 1.2472 10.6719 10.6719 11.1141 11.1141 11.7391 11.7391 14.9651 14.9651 17.8226 17.8226 18.0136 18.0136 19.0868 19.0868 19.7120 19.7120 k = 0.3697 0.2135 0.6037 ( 985 PWs) bands (ev): -39.9907 -39.9907 -17.5767 -17.5767 -15.5454 -15.5454 -15.4024 -15.4024 1.2692 1.2692 10.5897 10.5897 11.1125 11.1125 11.6783 11.6783 15.0813 15.0813 17.7798 17.7798 17.9816 17.9816 19.0776 19.0776 19.8414 19.8414 k = 0.3644 0.2104 0.5951 ( 985 PWs) bands (ev): -39.9910 -39.9910 -17.5761 -17.5761 -15.5452 -15.5452 -15.4011 -15.4011 1.2910 1.2910 10.5094 10.5094 11.1117 11.1117 11.6193 11.6193 15.1992 15.1992 17.7355 17.7355 17.9486 17.9486 19.0659 19.0659 19.9698 19.9698 k = 0.3592 0.2074 0.5865 ( 985 PWs) bands (ev): -39.9913 -39.9913 -17.5754 -17.5754 -15.5451 -15.5451 -15.3995 -15.3995 1.3124 1.3124 10.4312 10.4312 11.1117 11.1117 11.5622 11.5622 15.3187 15.3187 17.6898 17.6898 17.9146 17.9146 19.0518 19.0518 20.0967 20.0967 k = 0.3539 0.2043 0.5779 ( 981 PWs) bands (ev): -39.9915 -39.9915 -17.5746 -17.5746 -15.5449 -15.5449 -15.3976 -15.3976 1.3332 1.3332 10.3555 10.3555 11.1125 11.1125 11.5073 11.5073 15.4396 15.4396 17.6428 17.6428 17.8796 17.8796 19.0351 19.0351 20.2214 20.2214 k = 0.3486 0.2013 0.5692 ( 981 PWs) bands (ev): -39.9918 -39.9918 -17.5737 -17.5737 -15.5448 -15.5448 -15.3954 -15.3954 1.3534 1.3534 10.2825 10.2825 11.1141 11.1141 11.4545 11.4545 15.5614 15.5614 17.5945 17.5945 17.8436 17.8436 19.0161 19.0161 20.3435 20.3435 k = 0.3433 0.1982 0.5606 ( 981 PWs) bands (ev): -39.9922 -39.9922 -17.5727 -17.5727 -15.5446 -15.5446 -15.3929 -15.3929 1.3728 1.3728 10.2125 10.2125 11.1167 11.1167 11.4042 11.4042 15.6840 15.6840 17.5450 17.5450 17.8067 17.8067 18.9949 18.9949 20.4626 20.4626 k = 0.3380 0.1952 0.5520 ( 981 PWs) bands (ev): -39.9927 -39.9927 -17.5716 -17.5716 -15.5443 -15.5443 -15.3902 -15.3902 1.3913 1.3913 10.1456 10.1456 11.1200 11.1200 11.3565 11.3565 15.8069 15.8069 17.4944 17.4944 17.7688 17.7688 18.9715 18.9715 20.5780 20.5780 k = 0.3327 0.1921 0.5434 ( 981 PWs) bands (ev): -39.9932 -39.9932 -17.5704 -17.5704 -15.5440 -15.5440 -15.3873 -15.3873 1.4086 1.4086 10.0821 10.0821 11.1241 11.1241 11.3115 11.3115 15.9298 15.9298 17.4427 17.4427 17.7300 17.7300 18.9461 18.9461 20.6893 20.6893 k = 0.3275 0.1891 0.5347 ( 981 PWs) bands (ev): -39.9937 -39.9937 -17.5691 -17.5691 -15.5435 -15.5435 -15.3841 -15.3841 1.4248 1.4248 10.0221 10.0221 11.1288 11.1288 11.2696 11.2696 16.0522 16.0522 17.3901 17.3901 17.6903 17.6903 18.9188 18.9188 20.7959 20.7959 k = 0.3222 0.1860 0.5261 ( 981 PWs) bands (ev): -39.9943 -39.9943 -17.5677 -17.5677 -15.5429 -15.5429 -15.3807 -15.3807 1.4396 1.4396 9.9660 9.9660 11.1335 11.1335 11.2316 11.2316 16.1737 16.1737 17.3366 17.3366 17.6498 17.6498 18.8897 18.8897 20.8973 20.8973 k = 0.3169 0.1830 0.5175 ( 981 PWs) bands (ev): -39.9949 -39.9949 -17.5662 -17.5662 -15.5421 -15.5421 -15.3772 -15.3772 1.4529 1.4529 9.9139 9.9139 11.1358 11.1358 11.1999 11.1999 16.2937 16.2937 17.2823 17.2823 17.6085 17.6085 18.8591 18.8591 20.9929 20.9929 k = 0.3116 0.1799 0.5089 ( 983 PWs) bands (ev): -39.9956 -39.9956 -17.5645 -17.5645 -15.5412 -15.5412 -15.3735 -15.3735 1.4647 1.4647 9.8660 9.8660 11.1286 11.1286 11.1818 11.1818 16.4115 16.4115 17.2272 17.2272 17.5665 17.5665 18.8270 18.8270 21.0823 21.0823 k = 0.3063 0.1769 0.5002 ( 983 PWs) bands (ev): -39.9963 -39.9963 -17.5627 -17.5627 -15.5400 -15.5400 -15.3697 -15.3697 1.4747 1.4747 9.8224 9.8224 11.1080 11.1080 11.1813 11.1813 16.5267 16.5267 17.1714 17.1714 17.5237 17.5237 18.7937 18.7937 21.1648 21.1648 k = 0.3011 0.1738 0.4916 ( 991 PWs) bands (ev): -39.9973 -39.9973 -17.5608 -17.5608 -15.5386 -15.5386 -15.3658 -15.3658 1.4828 1.4828 9.7834 9.7834 11.0830 11.0830 11.1894 11.1894 16.6384 16.6384 17.1151 17.1151 17.4803 17.4803 18.7593 18.7593 21.2399 21.2399 k = 0.2958 0.1708 0.4830 ( 991 PWs) bands (ev): -39.9980 -39.9980 -17.5588 -17.5588 -15.5369 -15.5369 -15.3617 -15.3617 1.4891 1.4891 9.7490 9.7490 11.0587 11.0587 11.2012 11.2012 16.7458 16.7458 17.0583 17.0583 17.4365 17.4365 18.7239 18.7239 21.3072 21.3072 k = 0.2905 0.1677 0.4744 ( 983 PWs) bands (ev): -39.9986 -39.9986 -17.5565 -17.5565 -15.5350 -15.5350 -15.3575 -15.3575 1.4933 1.4933 9.7194 9.7194 11.0367 11.0367 11.2154 11.2154 16.8480 16.8480 17.0011 17.0011 17.3925 17.3925 18.6879 18.6879 21.3664 21.3664 k = 0.2852 0.1647 0.4657 ( 983 PWs) bands (ev): -39.9994 -39.9994 -17.5541 -17.5541 -15.5327 -15.5327 -15.3533 -15.3533 1.4954 1.4954 9.6948 9.6948 11.0173 11.0173 11.2313 11.2313 16.9379 16.9379 16.9494 16.9494 17.3485 17.3485 18.6512 18.6512 21.4168 21.4168 k = 0.2799 0.1616 0.4571 ( 987 PWs) bands (ev): -40.0005 -40.0005 -17.5516 -17.5516 -15.5303 -15.5303 -15.3491 -15.3491 1.4953 1.4953 9.6752 9.6752 11.0007 11.0007 11.2491 11.2491 16.8850 16.8850 17.0320 17.0320 17.3056 17.3056 18.6140 18.6140 21.4582 21.4582 k = 0.2746 0.1586 0.4485 ( 987 PWs) bands (ev): -40.0014 -40.0014 -17.5489 -17.5489 -15.5275 -15.5275 -15.3448 -15.3448 1.4930 1.4930 9.6608 9.6608 10.9872 10.9872 11.2685 11.2685 16.8269 16.8269 17.1065 17.1065 17.2680 17.2680 18.5765 18.5765 21.4902 21.4902 k = 0.2694 0.1555 0.4399 ( 991 PWs) bands (ev): -40.0026 -40.0026 -17.5461 -17.5461 -15.5244 -15.5244 -15.3404 -15.3404 1.4884 1.4884 9.6515 9.6515 10.9768 10.9768 11.2895 11.2895 16.7686 16.7686 17.1477 17.1477 17.2552 17.2552 18.5388 18.5388 21.5127 21.5127 k = 0.2641 0.1525 0.4312 ( 985 PWs) bands (ev): -40.0034 -40.0034 -17.5430 -17.5430 -15.5209 -15.5209 -15.3360 -15.3360 1.4816 1.4816 9.6476 9.6476 10.9696 10.9696 11.3123 11.3123 16.7103 16.7103 17.1311 17.1311 17.2909 17.2909 18.5010 18.5010 21.5254 21.5254 k = 0.2588 0.1494 0.4226 ( 983 PWs) bands (ev): -40.0044 -40.0044 -17.5399 -17.5399 -15.5172 -15.5172 -15.3316 -15.3316 1.4724 1.4724 9.6490 9.6490 10.9655 10.9655 11.3368 11.3368 16.6519 16.6519 17.0911 17.0911 17.3401 17.3401 18.4630 18.4630 21.5282 21.5282 k = 0.2535 0.1464 0.4140 ( 983 PWs) bands (ev): -40.0055 -40.0055 -17.5365 -17.5365 -15.5132 -15.5132 -15.3273 -15.3273 1.4608 1.4608 9.6558 9.6558 10.9647 10.9647 11.3629 11.3629 16.5935 16.5935 17.0455 17.0455 17.3844 17.3844 18.4246 18.4246 21.5210 21.5210 k = 0.2482 0.1433 0.4054 ( 983 PWs) bands (ev): -40.0067 -40.0067 -17.5330 -17.5330 -15.5088 -15.5088 -15.3229 -15.3229 1.4470 1.4470 9.6679 9.6679 10.9670 10.9670 11.3908 11.3908 16.5354 16.5354 16.9980 16.9980 17.4201 17.4201 18.3858 18.3858 21.5039 21.5039 k = 0.2430 0.1403 0.3967 ( 983 PWs) bands (ev): -40.0079 -40.0079 -17.5294 -17.5294 -15.5041 -15.5041 -15.3185 -15.3185 1.4309 1.4309 9.6855 9.6855 10.9727 10.9727 11.4203 11.4203 16.4774 16.4774 16.9494 16.9494 17.4462 17.4462 18.3461 18.3461 21.4770 21.4770 k = 0.2377 0.1372 0.3881 ( 987 PWs) bands (ev): -40.0092 -40.0092 -17.5256 -17.5256 -15.4991 -15.4991 -15.3142 -15.3142 1.4126 1.4126 9.7083 9.7083 10.9816 10.9816 11.4516 11.4516 16.4196 16.4196 16.9001 16.9001 17.4622 17.4622 18.3052 18.3052 21.4404 21.4404 k = 0.2324 0.1342 0.3795 ( 987 PWs) bands (ev): -40.0105 -40.0105 -17.5217 -17.5217 -15.4938 -15.4938 -15.3099 -15.3099 1.3921 1.3921 9.7365 9.7365 10.9938 10.9938 11.4846 11.4846 16.3623 16.3623 16.8503 16.8503 17.4687 17.4687 18.2626 18.2626 21.3945 21.3945 k = 0.2271 0.1311 0.3709 ( 987 PWs) bands (ev): -40.0118 -40.0118 -17.5176 -17.5176 -15.4882 -15.4882 -15.3057 -15.3057 1.3695 1.3695 9.7699 9.7699 11.0092 11.0092 11.5194 11.5194 16.3053 16.3053 16.8002 16.8002 17.4660 17.4660 18.2177 18.2177 21.3395 21.3395 k = 0.2218 0.1281 0.3622 ( 987 PWs) bands (ev): -40.0131 -40.0131 -17.5134 -17.5134 -15.4822 -15.4822 -15.3015 -15.3015 1.3449 1.3449 9.8085 9.8085 11.0280 11.0280 11.5558 11.5558 16.2488 16.2488 16.7498 16.7498 17.4547 17.4547 18.1703 18.1703 21.2756 21.2756 k = 0.2165 0.1250 0.3536 ( 987 PWs) bands (ev): -40.0145 -40.0145 -17.5091 -17.5091 -15.4760 -15.4760 -15.2974 -15.2974 1.3184 1.3184 9.8523 9.8523 11.0501 11.0501 11.5940 11.5940 16.1928 16.1928 16.6991 16.6991 17.4355 17.4355 18.1199 18.1199 21.2034 21.2034 k = 0.2113 0.1220 0.3450 ( 987 PWs) bands (ev): -40.0159 -40.0159 -17.5047 -17.5047 -15.4695 -15.4695 -15.2933 -15.2933 1.2901 1.2901 9.9010 9.9010 11.0754 11.0754 11.6340 11.6340 16.1374 16.1374 16.6483 16.6483 17.4091 17.4091 18.0666 18.0666 21.1231 21.1231 k = 0.2060 0.1189 0.3364 ( 979 PWs) bands (ev): -40.0170 -40.0170 -17.5001 -17.5001 -15.4627 -15.4627 -15.2893 -15.2893 1.2602 1.2602 9.9547 9.9547 11.1040 11.1040 11.6756 11.6756 16.0827 16.0827 16.5974 16.5974 17.3760 17.3760 18.0103 18.0103 21.0354 21.0354 k = 0.2007 0.1159 0.3277 ( 973 PWs) bands (ev): -40.0183 -40.0183 -17.4954 -17.4954 -15.4557 -15.4557 -15.2854 -15.2854 1.2286 1.2286 10.0132 10.0132 11.1359 11.1359 11.7189 11.7189 16.0287 16.0287 16.5464 16.5464 17.3369 17.3369 17.9516 17.9516 20.9404 20.9404 k = 0.1954 0.1128 0.3191 ( 973 PWs) bands (ev): -40.0197 -40.0197 -17.4907 -17.4907 -15.4484 -15.4484 -15.2815 -15.2815 1.1956 1.1956 10.0764 10.0764 11.1710 11.1710 11.7639 11.7639 15.9754 15.9754 16.4952 16.4952 17.2919 17.2919 17.8907 17.8907 20.8386 20.8386 k = 0.1901 0.1098 0.3105 ( 981 PWs) bands (ev): -40.0215 -40.0215 -17.4859 -17.4859 -15.4409 -15.4409 -15.2778 -15.2778 1.1613 1.1613 10.1442 10.1442 11.2094 11.2094 11.8104 11.8104 15.9229 15.9229 16.4440 16.4440 17.2414 17.2414 17.8285 17.8285 20.7305 20.7305 k = 0.1849 0.1067 0.3019 ( 981 PWs) bands (ev): -40.0230 -40.0230 -17.4810 -17.4810 -15.4332 -15.4332 -15.2741 -15.2741 1.1259 1.1259 10.2164 10.2164 11.2509 11.2509 11.8586 11.8586 15.8713 15.8713 16.3928 16.3928 17.1856 17.1856 17.7656 17.7656 20.6167 20.6167 k = 0.1796 0.1037 0.2932 ( 981 PWs) bands (ev): -40.0245 -40.0245 -17.4760 -17.4760 -15.4253 -15.4253 -15.2705 -15.2705 1.0894 1.0894 10.2929 10.2929 11.2957 11.2957 11.9084 11.9084 15.8206 15.8206 16.3416 16.3416 17.1248 17.1248 17.7027 17.7027 20.4974 20.4974 k = 0.1743 0.1006 0.2846 ( 977 PWs) bands (ev): -40.0258 -40.0258 -17.4710 -17.4710 -15.4171 -15.4171 -15.2670 -15.2670 1.0520 1.0520 10.3735 10.3735 11.3436 11.3436 11.9597 11.9597 15.7709 15.7709 16.2905 16.2905 17.0593 17.0593 17.6406 17.6406 20.3733 20.3733 k = 0.1690 0.0976 0.2760 ( 975 PWs) bands (ev): -40.0273 -40.0273 -17.4660 -17.4660 -15.4089 -15.4089 -15.2636 -15.2636 1.0139 1.0139 10.4581 10.4581 11.3946 11.3946 12.0125 12.0125 15.7221 15.7221 16.2394 16.2394 16.9892 16.9892 17.5797 17.5797 20.2447 20.2447 k = 0.1637 0.0945 0.2674 ( 975 PWs) bands (ev): -40.0288 -40.0288 -17.4609 -17.4609 -15.4005 -15.4005 -15.2603 -15.2603 0.9753 0.9753 10.5466 10.5466 11.4487 11.4487 12.0666 12.0666 15.6745 15.6745 16.1884 16.1884 16.9151 16.9151 17.5205 17.5205 20.1120 20.1120 k = 0.1585 0.0915 0.2587 ( 977 PWs) bands (ev): -40.0304 -40.0304 -17.4559 -17.4559 -15.3920 -15.3920 -15.2571 -15.2571 0.9361 0.9361 10.6387 10.6387 11.5058 11.5058 12.1222 12.1222 15.6279 15.6279 16.1374 16.1374 16.8374 16.8374 17.4631 17.4631 19.9756 19.9756 k = 0.1532 0.0884 0.2501 ( 977 PWs) bands (ev): -40.0319 -40.0319 -17.4508 -17.4508 -15.3834 -15.3834 -15.2540 -15.2540 0.8967 0.8967 10.7343 10.7343 11.5659 11.5659 12.1790 12.1790 15.5824 15.5824 16.0865 16.0865 16.7568 16.7568 17.4076 17.4076 19.8360 19.8360 k = 0.1479 0.0854 0.2415 ( 981 PWs) bands (ev): -40.0335 -40.0335 -17.4458 -17.4458 -15.3747 -15.3747 -15.2510 -15.2510 0.8572 0.8572 10.8333 10.8333 11.6290 11.6290 12.2371 12.2371 15.5381 15.5381 16.0357 16.0357 16.6738 16.6738 17.3541 17.3541 19.6934 19.6934 k = 0.1426 0.0823 0.2329 ( 977 PWs) bands (ev): -40.0348 -40.0348 -17.4408 -17.4408 -15.3659 -15.3659 -15.2482 -15.2482 0.8176 0.8176 10.9355 10.9355 11.6949 11.6949 12.2963 12.2963 15.4951 15.4951 15.9851 15.9851 16.5893 16.5893 17.3023 17.3023 19.5484 19.5484 k = 0.1373 0.0793 0.2242 ( 977 PWs) bands (ev): -40.0363 -40.0363 -17.4359 -17.4359 -15.3572 -15.3572 -15.2454 -15.2454 0.7782 0.7782 11.0406 11.0406 11.7637 11.7637 12.3566 12.3566 15.4532 15.4532 15.9345 15.9345 16.5036 16.5036 17.2523 17.2523 19.4013 19.4013 k = 0.1320 0.0762 0.2156 ( 977 PWs) bands (ev): -40.0378 -40.0378 -17.4310 -17.4310 -15.3484 -15.3484 -15.2427 -15.2427 0.7390 0.7390 11.1486 11.1486 11.8351 11.8351 12.4178 12.4178 15.4127 15.4127 15.8840 15.8840 16.4175 16.4175 17.2038 17.2038 19.2524 19.2524 k = 0.1268 0.0732 0.2070 ( 963 PWs) bands (ev): -40.0387 -40.0387 -17.4261 -17.4261 -15.3397 -15.3397 -15.2401 -15.2401 0.7003 0.7003 11.2592 11.2592 11.9093 11.9093 12.4800 12.4800 15.3736 15.3736 15.8338 15.8338 16.3314 16.3314 17.1567 17.1567 19.1021 19.1021 k = 0.1215 0.0701 0.1984 ( 967 PWs) bands (ev): -40.0403 -40.0403 -17.4214 -17.4214 -15.3311 -15.3311 -15.2376 -15.2376 0.6621 0.6621 11.3722 11.3722 11.9859 11.9859 12.5429 12.5429 15.3357 15.3357 15.7835 15.7835 16.2458 16.2458 17.1108 17.1108 18.9507 18.9507 k = 0.1162 0.0671 0.1897 ( 967 PWs) bands (ev): -40.0416 -40.0416 -17.4168 -17.4168 -15.3225 -15.3225 -15.2353 -15.2353 0.6245 0.6245 11.4874 11.4874 12.0650 12.0650 12.6064 12.6064 15.2992 15.2992 15.7335 15.7335 16.1611 16.1611 17.0659 17.0659 18.7986 18.7986 k = 0.1109 0.0640 0.1811 ( 967 PWs) bands (ev): -40.0430 -40.0430 -17.4123 -17.4123 -15.3140 -15.3140 -15.2330 -15.2330 0.5877 0.5877 11.6047 11.6047 12.1463 12.1463 12.6705 12.6705 15.2641 15.2641 15.6835 15.6835 16.0777 16.0777 17.0218 17.0218 18.6461 18.6461 k = 0.1056 0.0610 0.1725 ( 967 PWs) bands (ev): -40.0443 -40.0443 -17.4079 -17.4079 -15.3057 -15.3057 -15.2309 -15.2309 0.5518 0.5518 11.7236 11.7236 12.2299 12.2299 12.7350 12.7350 15.2305 15.2305 15.6337 15.6337 15.9958 15.9958 16.9786 16.9786 18.4936 18.4936 k = 0.1004 0.0579 0.1639 ( 969 PWs) bands (ev): -40.0456 -40.0456 -17.4037 -17.4037 -15.2976 -15.2976 -15.2288 -15.2288 0.5169 0.5169 11.8441 11.8441 12.3154 12.3154 12.7997 12.7997 15.1983 15.1983 15.5841 15.5841 15.9158 15.9158 16.9359 16.9359 18.3413 18.3413 k = 0.0951 0.0549 0.1552 ( 965 PWs) bands (ev): -40.0467 -40.0467 -17.3996 -17.3996 -15.2897 -15.2897 -15.2269 -15.2269 0.4831 0.4831 11.9659 11.9659 12.4028 12.4028 12.8645 12.8645 15.1676 15.1676 15.5347 15.5347 15.8379 15.8379 16.8937 16.8937 18.1898 18.1898 k = 0.0898 0.0518 0.1466 ( 965 PWs) bands (ev): -40.0478 -40.0478 -17.3957 -17.3957 -15.2820 -15.2820 -15.2251 -15.2251 0.4506 0.4506 12.0886 12.0886 12.4917 12.4917 12.9293 12.9293 15.1383 15.1383 15.4856 15.4856 15.7622 15.7622 16.8518 16.8518 18.0393 18.0393 k = 0.0845 0.0488 0.1380 ( 965 PWs) bands (ev): -40.0490 -40.0490 -17.3919 -17.3919 -15.2745 -15.2745 -15.2234 -15.2234 0.4193 0.4193 12.2120 12.2120 12.5820 12.5820 12.9938 12.9938 15.1105 15.1105 15.4367 15.4367 15.6887 15.6887 16.8102 16.8102 17.8902 17.8902 k = 0.0792 0.0457 0.1294 ( 965 PWs) bands (ev): -40.0500 -40.0500 -17.3883 -17.3883 -15.2674 -15.2674 -15.2218 -15.2218 0.3895 0.3895 12.3356 12.3356 12.6734 12.6734 13.0578 13.0578 15.0843 15.0843 15.3882 15.3882 15.6178 15.6178 16.7687 16.7687 17.7430 17.7430 k = 0.0739 0.0427 0.1207 ( 963 PWs) bands (ev): -40.0510 -40.0510 -17.3849 -17.3849 -15.2605 -15.2605 -15.2203 -15.2203 0.3611 0.3611 12.4592 12.4592 12.7655 12.7655 13.1211 13.1211 15.0596 15.0596 15.3401 15.3401 15.5492 15.5492 16.7272 16.7272 17.5981 17.5981 k = 0.0687 0.0396 0.1121 ( 961 PWs) bands (ev): -40.0519 -40.0519 -17.3817 -17.3817 -15.2540 -15.2540 -15.2189 -15.2189 0.3344 0.3344 12.5822 12.5822 12.8579 12.8579 13.1835 13.1835 15.0364 15.0364 15.2926 15.2926 15.4833 15.4833 16.6858 16.6858 17.4561 17.4561 k = 0.0634 0.0366 0.1035 ( 961 PWs) bands (ev): -40.0528 -40.0528 -17.3787 -17.3787 -15.2479 -15.2479 -15.2176 -15.2176 0.3093 0.3093 12.7041 12.7041 12.9501 12.9501 13.2447 13.2447 15.0147 15.0147 15.2459 15.2459 15.4197 15.4197 16.6444 16.6444 17.3176 17.3176 k = 0.0581 0.0335 0.0949 ( 953 PWs) bands (ev): -40.0533 -40.0533 -17.3759 -17.3759 -15.2421 -15.2421 -15.2164 -15.2164 0.2859 0.2859 12.8243 12.8243 13.0417 13.0417 13.3043 13.3043 14.9945 14.9945 15.2001 15.2001 15.3588 15.3588 16.6031 16.6031 17.1832 17.1832 k = 0.0528 0.0305 0.0862 ( 951 PWs) bands (ev): -40.0540 -40.0540 -17.3734 -17.3734 -15.2368 -15.2368 -15.2154 -15.2154 0.2644 0.2644 12.9422 12.9422 13.1318 13.1318 13.3620 13.3620 14.9757 14.9757 15.1554 15.1554 15.3004 15.3004 16.5621 16.5621 17.0537 17.0537 k = 0.0475 0.0274 0.0776 ( 951 PWs) bands (ev): -40.0547 -40.0547 -17.3710 -17.3710 -15.2319 -15.2319 -15.2144 -15.2144 0.2447 0.2447 13.0568 13.0568 13.2197 13.2197 13.4173 13.4173 14.9584 14.9584 15.1122 15.1122 15.2445 15.2445 16.5217 16.5217 16.9299 16.9299 k = 0.0423 0.0244 0.0690 ( 951 PWs) bands (ev): -40.0554 -40.0554 -17.3689 -17.3689 -15.2275 -15.2275 -15.2135 -15.2135 0.2269 0.2269 13.1671 13.1671 13.3045 13.3045 13.4699 13.4699 14.9423 14.9423 15.0707 15.0707 15.1915 15.1915 16.4824 16.4824 16.8130 16.8130 k = 0.0370 0.0213 0.0604 ( 951 PWs) bands (ev): -40.0559 -40.0559 -17.3670 -17.3670 -15.2235 -15.2235 -15.2128 -15.2128 0.2111 0.2111 13.2718 13.2718 13.3850 13.3850 13.5193 13.5193 14.9275 14.9275 15.0312 15.0312 15.1417 15.1417 16.4448 16.4448 16.7041 16.7041 k = 0.0317 0.0183 0.0517 ( 951 PWs) bands (ev): -40.0564 -40.0564 -17.3654 -17.3654 -15.2201 -15.2201 -15.2121 -15.2121 0.1973 0.1973 13.3692 13.3692 13.4600 13.4600 13.5648 13.5648 14.9137 14.9137 14.9942 14.9942 15.0960 15.0960 16.4096 16.4096 16.6045 16.6045 k = 0.0264 0.0152 0.0431 ( 951 PWs) bands (ev): -40.0568 -40.0568 -17.3640 -17.3640 -15.2171 -15.2171 -15.2116 -15.2116 0.1856 0.1856 13.4572 13.4572 13.5283 13.5283 13.6060 13.6060 14.9009 14.9009 14.9600 14.9600 15.0554 15.0554 16.3776 16.3776 16.5160 16.5160 k = 0.0211 0.0122 0.0345 ( 951 PWs) bands (ev): -40.0572 -40.0572 -17.3629 -17.3629 -15.2147 -15.2147 -15.2111 -15.2111 0.1760 0.1760 13.5325 13.5325 13.5889 13.5889 13.6423 13.6423 14.8889 14.8889 14.9289 14.9289 15.0213 15.0213 16.3497 16.3497 16.4401 16.4401 k = 0.0158 0.0091 0.0259 ( 951 PWs) bands (ev): -40.0574 -40.0574 -17.3620 -17.3620 -15.2128 -15.2128 -15.2108 -15.2108 0.1684 0.1684 13.5916 13.5916 13.6408 13.6408 13.6732 13.6732 14.8781 14.8781 14.9018 14.9018 14.9949 14.9949 16.3269 16.3269 16.3786 16.3786 k = 0.0106 0.0061 0.0172 ( 951 PWs) bands (ev): -40.0576 -40.0576 -17.3614 -17.3614 -15.2114 -15.2114 -15.2105 -15.2105 0.1630 0.1630 13.6320 13.6320 13.6824 13.6824 13.6977 13.6977 14.8692 14.8692 14.8802 14.8802 14.9767 14.9767 16.3100 16.3100 16.3332 16.3332 k = 0.0053 0.0030 0.0086 ( 951 PWs) bands (ev): -40.0577 -40.0577 -17.3610 -17.3610 -15.2106 -15.2106 -15.2104 -15.2104 0.1598 0.1598 13.6547 13.6547 13.7099 13.7099 13.7138 13.7138 14.8632 14.8632 14.8660 14.8660 14.9662 14.9662 16.2995 16.2995 16.3053 16.3053 k = 0.0000 0.0000 0.0000 ( 941 PWs) bands (ev): -40.0575 -40.0575 -17.3608 -17.3608 -15.2103 -15.2103 -15.2103 -15.2103 0.1587 0.1587 13.6619 13.6619 13.7195 13.7195 13.7195 13.7195 14.8612 14.8612 14.8612 14.8612 14.9629 14.9629 16.2960 16.2960 16.2960 16.2960 k = 0.0000 0.0000 0.0000 ( 941 PWs) bands (ev): -40.0575 -40.0575 -17.3608 -17.3608 -15.2103 -15.2103 -15.2103 -15.2103 0.1587 0.1587 13.6619 13.6619 13.7195 13.7195 13.7195 13.7195 14.8612 14.8612 14.8612 14.8612 14.9629 14.9629 16.2960 16.2960 16.2960 16.2960 k = 0.0086 0.0050 0.0035 ( 950 PWs) bands (ev): -40.0577 -40.0577 -17.3610 -17.3610 -15.2106 -15.2106 -15.2103 -15.2103 0.1598 0.1598 13.6547 13.6547 13.7108 13.7108 13.7128 13.7128 14.8640 14.8640 14.8652 14.8652 14.9662 14.9662 16.3024 16.3024 16.3025 16.3025 k = 0.0172 0.0100 0.0070 ( 950 PWs) bands (ev): -40.0576 -40.0576 -17.3614 -17.3614 -15.2114 -15.2114 -15.2105 -15.2105 0.1630 0.1630 13.6331 13.6331 13.6859 13.6859 13.6931 13.6931 14.8727 14.8727 14.8771 14.8771 14.9762 14.9762 16.3215 16.3215 16.3219 16.3219 k = 0.0259 0.0149 0.0106 ( 950 PWs) bands (ev): -40.0574 -40.0574 -17.3620 -17.3620 -15.2129 -15.2129 -15.2106 -15.2106 0.1684 0.1684 13.5963 13.5963 13.6478 13.6478 13.6612 13.6612 14.8865 14.8865 14.8950 14.8950 14.9928 14.9928 16.3530 16.3530 16.3537 16.3537 k = 0.0345 0.0199 0.0141 ( 950 PWs) bands (ev): -40.0571 -40.0571 -17.3629 -17.3629 -15.2149 -15.2149 -15.2109 -15.2109 0.1760 0.1760 13.5436 13.5436 13.6004 13.6004 13.6186 13.6186 14.9047 14.9047 14.9172 14.9172 15.0154 15.0154 16.3962 16.3962 16.3974 16.3974 k = 0.0431 0.0249 0.0176 ( 950 PWs) bands (ev): -40.0568 -40.0568 -17.3640 -17.3640 -15.2174 -15.2174 -15.2113 -15.2113 0.1856 0.1856 13.4757 13.4757 13.5466 13.5466 13.5667 13.5667 14.9266 14.9266 14.9421 14.9421 15.0434 15.0434 16.4504 16.4504 16.4521 16.4521 k = 0.0517 0.0299 0.0211 ( 950 PWs) bands (ev): -40.0564 -40.0564 -17.3654 -17.3654 -15.2205 -15.2205 -15.2117 -15.2117 0.1974 0.1974 13.3953 13.3953 13.4870 13.4870 13.5069 13.5069 14.9516 14.9516 14.9687 14.9687 15.0757 15.0757 16.5146 16.5146 16.5168 16.5168 k = 0.0603 0.0348 0.0246 ( 950 PWs) bands (ev): -40.0559 -40.0559 -17.3670 -17.3670 -15.2241 -15.2241 -15.2122 -15.2122 0.2112 0.2112 13.3049 13.3049 13.4222 13.4222 13.4408 13.4408 14.9791 14.9791 14.9966 14.9966 15.1110 15.1110 16.5879 16.5879 16.5906 16.5906 k = 0.0690 0.0398 0.0282 ( 950 PWs) bands (ev): -40.0553 -40.0553 -17.3689 -17.3689 -15.2282 -15.2282 -15.2127 -15.2127 0.2271 0.2271 13.2068 13.2068 13.3529 13.3529 13.3696 13.3696 15.0088 15.0088 15.0258 15.0258 15.1482 15.1482 16.6693 16.6693 16.6725 16.6725 k = 0.0776 0.0448 0.0317 ( 950 PWs) bands (ev): -40.0547 -40.0547 -17.3710 -17.3710 -15.2329 -15.2329 -15.2134 -15.2134 0.2450 0.2450 13.1025 13.1025 13.2797 13.2797 13.2943 13.2943 15.0405 15.0405 15.0564 15.0564 15.1865 15.1865 16.7580 16.7580 16.7616 16.7616 k = 0.0862 0.0498 0.0352 ( 950 PWs) bands (ev): -40.0540 -40.0540 -17.3733 -17.3733 -15.2380 -15.2380 -15.2141 -15.2141 0.2648 0.2648 12.9931 12.9931 13.2034 13.2034 13.2158 13.2158 15.0740 15.0740 15.0884 15.0884 15.2252 15.2252 16.8530 16.8530 16.8569 16.8569 k = 0.0948 0.0547 0.0387 ( 953 PWs) bands (ev): -40.0533 -40.0533 -17.3759 -17.3759 -15.2436 -15.2436 -15.2148 -15.2148 0.2866 0.2866 12.8796 12.8796 13.1247 13.1247 13.1351 13.1351 15.1093 15.1093 15.1220 15.1220 15.2641 15.2641 16.9536 16.9536 16.9577 16.9577 k = 0.1034 0.0597 0.0422 ( 959 PWs) bands (ev): -40.0527 -40.0527 -17.3787 -17.3787 -15.2497 -15.2497 -15.2157 -15.2157 0.3103 0.3103 12.7628 12.7628 13.0442 13.0442 13.0526 13.0526 15.1464 15.1464 15.1572 15.1572 15.3031 15.3031 17.0590 17.0590 17.0633 17.0633 k = 0.1121 0.0647 0.0458 ( 959 PWs) bands (ev): -40.0518 -40.0518 -17.3817 -17.3817 -15.2561 -15.2561 -15.2166 -15.2166 0.3358 0.3358 12.6433 12.6433 12.9624 12.9624 12.9690 12.9690 15.1852 15.1852 15.1941 15.1941 15.3420 15.3420 17.1687 17.1687 17.1730 17.1730 k = 0.1207 0.0697 0.0493 ( 962 PWs) bands (ev): -40.0510 -40.0510 -17.3849 -17.3849 -15.2630 -15.2630 -15.2175 -15.2175 0.3631 0.3631 12.5218 12.5218 12.8798 12.8798 12.8848 12.8848 15.2259 15.2259 15.2326 15.2326 15.3811 15.3811 17.2820 17.2820 17.2864 17.2864 k = 0.1293 0.0747 0.0528 ( 962 PWs) bands (ev): -40.0500 -40.0500 -17.3883 -17.3883 -15.2703 -15.2703 -15.2185 -15.2185 0.3921 0.3921 12.3986 12.3986 12.7968 12.7968 12.8002 12.8002 15.2683 15.2683 15.2730 15.2730 15.4204 15.4204 17.3984 17.3984 17.4028 17.4028 k = 0.1379 0.0796 0.0563 ( 962 PWs) bands (ev): -40.0489 -40.0489 -17.3919 -17.3919 -15.2779 -15.2779 -15.2196 -15.2196 0.4227 0.4227 12.2742 12.2742 12.7137 12.7137 12.7156 12.7156 15.3126 15.3126 15.3150 15.3150 15.4601 15.4601 17.5176 17.5176 17.5219 17.5219 k = 0.1466 0.0846 0.0598 ( 968 PWs) bands (ev): -40.0480 -40.0480 -17.3957 -17.3957 -15.2858 -15.2858 -15.2207 -15.2207 0.4550 0.4550 12.1490 12.1490 12.6308 12.6308 12.6314 12.6314 15.3586 15.3586 15.3587 15.3587 15.5004 15.5004 17.6389 17.6389 17.6432 17.6432 k = 0.1552 0.0896 0.0633 ( 968 PWs) bands (ev): -40.0468 -40.0468 -17.3997 -17.3997 -15.2940 -15.2940 -15.2219 -15.2219 0.4887 0.4887 12.0233 12.0233 12.5477 12.5477 12.5483 12.5483 15.4039 15.4039 15.4066 15.4066 15.5416 15.5416 17.7623 17.7623 17.7664 17.7664 k = 0.1638 0.0946 0.0669 ( 968 PWs) bands (ev): -40.0456 -40.0456 -17.4038 -17.4038 -15.3025 -15.3025 -15.2231 -15.2231 0.5238 0.5238 11.8974 11.8974 12.4647 12.4647 12.4665 12.4665 15.4507 15.4507 15.4563 15.4563 15.5838 15.5838 17.8872 17.8872 17.8912 17.8912 k = 0.1724 0.0995 0.0704 ( 974 PWs) bands (ev): -40.0446 -40.0446 -17.4080 -17.4080 -15.3112 -15.3112 -15.2243 -15.2243 0.5604 0.5604 11.7715 11.7715 12.3827 12.3827 12.3856 12.3856 15.4989 15.4989 15.5077 15.5077 15.6273 15.6273 18.0134 18.0134 18.0173 18.0173 k = 0.1810 0.1045 0.0739 ( 974 PWs) bands (ev): -40.0433 -40.0433 -17.4124 -17.4124 -15.3201 -15.3201 -15.2256 -15.2256 0.5981 0.5981 11.6460 11.6460 12.3018 12.3018 12.3057 12.3057 15.5484 15.5484 15.5608 15.5608 15.6724 15.6724 18.1406 18.1406 18.1443 18.1443 k = 0.1897 0.1095 0.0774 ( 968 PWs) bands (ev): -40.0418 -40.0418 -17.4170 -17.4170 -15.3292 -15.3292 -15.2269 -15.2269 0.6371 0.6371 11.5210 11.5210 12.2221 12.2221 12.2270 12.2270 15.5992 15.5992 15.6156 15.6156 15.7192 15.7192 18.2687 18.2687 18.2722 18.2722 k = 0.1983 0.1145 0.0809 ( 968 PWs) bands (ev): -40.0405 -40.0405 -17.4216 -17.4216 -15.3385 -15.3385 -15.2282 -15.2282 0.6772 0.6772 11.3968 11.3968 12.1438 12.1438 12.1496 12.1496 15.6510 15.6510 15.6720 15.6720 15.7679 15.7679 18.3972 18.3972 18.4005 18.4005 k = 0.2069 0.1195 0.0845 ( 971 PWs) bands (ev): -40.0392 -40.0392 -17.4264 -17.4264 -15.3479 -15.3479 -15.2296 -15.2296 0.7182 0.7182 11.2735 11.2735 12.0670 12.0670 12.0736 12.0736 15.7038 15.7038 15.7298 15.7298 15.8187 15.8187 18.5259 18.5259 18.5291 18.5291 k = 0.2155 0.1244 0.0880 ( 971 PWs) bands (ev): -40.0378 -40.0378 -17.4312 -17.4312 -15.3573 -15.3573 -15.2310 -15.2310 0.7602 0.7602 11.1514 11.1514 11.9917 11.9917 11.9992 11.9992 15.7577 15.7577 15.7891 15.7891 15.8715 15.8715 18.6548 18.6548 18.6578 18.6578 k = 0.2241 0.1294 0.0915 ( 965 PWs) bands (ev): -40.0362 -40.0362 -17.4361 -17.4361 -15.3668 -15.3668 -15.2323 -15.2323 0.8029 0.8029 11.0306 11.0306 11.9181 11.9181 11.9263 11.9263 15.8125 15.8125 15.8497 15.8497 15.9265 15.9265 18.7836 18.7836 18.7864 18.7864 k = 0.2328 0.1344 0.0950 ( 971 PWs) bands (ev): -40.0350 -40.0350 -17.4411 -17.4411 -15.3764 -15.3764 -15.2338 -15.2338 0.8464 0.8464 10.9113 10.9113 11.8462 11.8462 11.8551 11.8551 15.8683 15.8683 15.9115 15.9115 15.9835 15.9835 18.9120 18.9120 18.9145 18.9145 k = 0.2414 0.1394 0.0985 ( 971 PWs) bands (ev): -40.0336 -40.0336 -17.4461 -17.4461 -15.3860 -15.3860 -15.2352 -15.2352 0.8904 0.8904 10.7936 10.7936 11.7761 11.7761 11.7857 11.7857 15.9252 15.9252 15.9744 15.9744 16.0425 16.0425 19.0398 19.0398 19.0422 19.0422 k = 0.2500 0.1443 0.1021 ( 968 PWs) bands (ev): -40.0321 -40.0321 -17.4512 -17.4512 -15.3955 -15.3955 -15.2366 -15.2366 0.9349 0.9349 10.6778 10.6778 11.7078 11.7078 11.7181 11.7181 15.9834 15.9834 16.0382 16.0382 16.1033 16.1033 19.1669 19.1669 19.1690 19.1690 k = 0.2586 0.1493 0.1056 ( 974 PWs) bands (ev): -40.0308 -40.0308 -17.4563 -17.4563 -15.4050 -15.4050 -15.2380 -15.2380 0.9798 0.9798 10.5640 10.5640 11.6415 11.6415 11.6523 11.6523 16.0428 16.0428 16.1029 16.1029 16.1655 16.1655 19.2930 19.2930 19.2950 19.2950 k = 0.2672 0.1543 0.1091 ( 974 PWs) bands (ev): -40.0294 -40.0294 -17.4614 -17.4614 -15.4144 -15.4144 -15.2394 -15.2394 1.0249 1.0249 10.4523 10.4523 11.5771 11.5771 11.5885 11.5885 16.1037 16.1037 16.1683 16.1683 16.2292 16.2292 19.4180 19.4180 19.4198 19.4198 k = 0.2759 0.1593 0.1126 ( 974 PWs) bands (ev): -40.0280 -40.0280 -17.4665 -17.4665 -15.4237 -15.4237 -15.2408 -15.2408 1.0701 1.0701 10.3429 10.3429 11.5148 11.5148 11.5267 11.5267 16.1660 16.1660 16.2342 16.2342 16.2940 16.2940 19.5417 19.5417 19.5433 19.5433 k = 0.2845 0.1642 0.1161 ( 974 PWs) bands (ev): -40.0266 -40.0266 -17.4716 -17.4716 -15.4328 -15.4328 -15.2422 -15.2422 1.1153 1.1153 10.2358 10.2358 11.4545 11.4545 11.4670 11.4670 16.2297 16.2297 16.3004 16.3004 16.3599 16.3599 19.6638 19.6638 19.6652 19.6652 k = 0.2931 0.1692 0.1197 ( 974 PWs) bands (ev): -40.0252 -40.0252 -17.4766 -17.4766 -15.4418 -15.4418 -15.2436 -15.2436 1.1604 1.1604 10.1314 10.1314 11.3963 11.3963 11.4093 11.4093 16.2949 16.2949 16.3669 16.3669 16.4265 16.4265 19.7842 19.7842 19.7854 19.7854 k = 0.3017 0.1742 0.1232 ( 974 PWs) bands (ev): -40.0239 -40.0239 -17.4815 -17.4815 -15.4506 -15.4506 -15.2449 -15.2449 1.2052 1.2052 10.0297 10.0297 11.3403 11.3403 11.3537 11.3537 16.3616 16.3616 16.4333 16.4333 16.4937 16.4937 19.9027 19.9027 19.9037 19.9037 k = 0.3103 0.1792 0.1267 ( 974 PWs) bands (ev): -40.0225 -40.0225 -17.4864 -17.4864 -15.4592 -15.4592 -15.2463 -15.2463 1.2496 1.2496 9.9308 9.9308 11.2864 11.2864 11.3003 11.3003 16.4295 16.4295 16.4995 16.4995 16.5614 16.5614 20.0189 20.0189 20.0198 20.0198 k = 0.3190 0.1842 0.1302 ( 974 PWs) bands (ev): -40.0212 -40.0212 -17.4913 -17.4913 -15.4676 -15.4676 -15.2475 -15.2475 1.2935 1.2935 9.8349 9.8349 11.2348 11.2348 11.2491 11.2491 16.4985 16.4985 16.5652 16.5652 16.6295 16.6295 20.1329 20.1329 20.1335 20.1335 k = 0.3276 0.1891 0.1337 ( 974 PWs) bands (ev): -40.0199 -40.0199 -17.4960 -17.4960 -15.4757 -15.4757 -15.2488 -15.2488 1.3367 1.3367 9.7422 9.7422 11.1853 11.1853 11.2001 11.2001 16.5683 16.5683 16.6304 16.6304 16.6978 16.6978 20.2442 20.2442 20.2447 20.2447 k = 0.3362 0.1941 0.1373 ( 971 PWs) bands (ev): -40.0186 -40.0186 -17.5006 -17.5006 -15.4836 -15.4836 -15.2500 -15.2500 1.3791 1.3791 9.6528 9.6528 11.1382 11.1382 11.1533 11.1533 16.6387 16.6387 16.6946 16.6946 16.7664 16.7664 20.3528 20.3528 20.3531 20.3531 k = 0.3448 0.1991 0.1408 ( 972 PWs) bands (ev): -40.0174 -40.0174 -17.5050 -17.5050 -15.4912 -15.4912 -15.2512 -15.2512 1.4205 1.4205 9.5667 9.5667 11.0933 11.0933 11.1088 11.1088 16.7091 16.7091 16.7578 16.7578 16.8353 16.8353 20.4583 20.4583 20.4584 20.4584 k = 0.3534 0.2041 0.1443 ( 984 PWs) bands (ev): -40.0166 -40.0166 -17.5094 -17.5094 -15.4985 -15.4985 -15.2524 -15.2524 1.4608 1.4608 9.4843 9.4843 11.0508 11.0508 11.0665 11.0665 16.7789 16.7789 16.8195 16.8195 16.9047 16.9047 20.5603 20.5603 20.5603 20.5603 k = 0.3621 0.2090 0.1478 ( 984 PWs) bands (ev): -40.0155 -40.0155 -17.5135 -17.5135 -15.5054 -15.5054 -15.2535 -15.2535 1.4999 1.4999 9.4056 9.4056 11.0105 11.0105 11.0266 11.0266 16.8475 16.8475 16.8797 16.8797 16.9747 16.9747 20.6587 20.6587 20.6589 20.6589 k = 0.3707 0.2140 0.1513 ( 984 PWs) bands (ev): -40.0144 -40.0144 -17.5175 -17.5175 -15.5120 -15.5120 -15.2545 -15.2545 1.5375 1.5375 9.3307 9.3307 10.9726 10.9726 10.9890 10.9890 16.9141 16.9141 16.9381 16.9381 17.0456 17.0456 20.7532 20.7532 20.7537 20.7537 k = 0.3793 0.2190 0.1549 ( 984 PWs) bands (ev): -40.0134 -40.0134 -17.5213 -17.5213 -15.5182 -15.5182 -15.2555 -15.2555 1.5736 1.5736 9.2598 9.2598 10.9371 10.9371 10.9538 10.9538 16.9781 16.9781 16.9943 16.9943 17.1174 17.1174 20.8432 20.8432 20.8445 20.8445 k = 0.3879 0.2240 0.1584 ( 990 PWs) bands (ev): -40.0127 -40.0127 -17.5249 -17.5249 -15.5241 -15.5241 -15.2565 -15.2565 1.6080 1.6080 9.1931 9.1931 10.9040 10.9040 10.9209 10.9209 17.0387 17.0387 17.0481 17.0481 17.1899 17.1899 20.9126 20.9126 20.9308 20.9308 k = 0.3966 0.2289 0.1619 ( 990 PWs) bands (ev): -40.0118 -40.0118 -17.5283 -17.5283 -15.5296 -15.5296 -15.2573 -15.2573 1.6405 1.6405 9.1306 9.1306 10.8732 10.8732 10.8904 10.8904 17.0958 17.0958 17.0993 17.0993 17.2629 17.2629 20.8797 20.8797 21.0125 21.0125 k = 0.4052 0.2339 0.1654 ( 990 PWs) bands (ev): -40.0109 -40.0109 -17.5314 -17.5314 -15.5346 -15.5346 -15.2582 -15.2582 1.6711 1.6711 9.0726 9.0726 10.8449 10.8449 10.8622 10.8622 17.1475 17.1475 17.1491 17.1491 17.3358 17.3358 20.8362 20.8362 21.0892 21.0892 k = 0.4138 0.2389 0.1689 ( 984 PWs) bands (ev): -40.0100 -40.0100 -17.5343 -17.5343 -15.5393 -15.5393 -15.2589 -15.2589 1.6995 1.6995 9.0191 9.0191 10.8190 10.8190 10.8365 10.8365 17.1926 17.1926 17.1983 17.1983 17.4079 17.4079 20.7887 20.7887 21.1607 21.1607 k = 0.4224 0.2439 0.1724 ( 978 PWs) bands (ev): -40.0091 -40.0091 -17.5370 -17.5370 -15.5435 -15.5435 -15.2596 -15.2596 1.7257 1.7257 8.9703 8.9703 10.7956 10.7956 10.8133 10.8133 17.2343 17.2343 17.2434 17.2434 17.4782 17.4782 20.7388 20.7388 21.2266 21.2266 k = 0.4310 0.2489 0.1760 ( 978 PWs) bands (ev): -40.0084 -40.0084 -17.5394 -17.5394 -15.5474 -15.5474 -15.2602 -15.2602 1.7494 1.7494 8.9262 8.9262 10.7745 10.7745 10.7924 10.7924 17.2724 17.2724 17.2843 17.2843 17.5457 17.5457 20.6880 20.6880 21.2866 21.2867 k = 0.4397 0.2538 0.1795 ( 978 PWs) bands (ev): -40.0079 -40.0079 -17.5415 -17.5415 -15.5508 -15.5508 -15.2608 -15.2608 1.7707 1.7707 8.8871 8.8871 10.7560 10.7560 10.7740 10.7740 17.3065 17.3065 17.3207 17.3207 17.6094 17.6094 20.6377 20.6377 21.3404 21.3405 k = 0.4483 0.2588 0.1830 ( 978 PWs) bands (ev): -40.0074 -40.0074 -17.5434 -17.5434 -15.5537 -15.5537 -15.2613 -15.2613 1.7894 1.7894 8.8529 8.8529 10.7399 10.7399 10.7580 10.7580 17.3365 17.3365 17.3526 17.3526 17.6682 17.6682 20.5896 20.5896 21.3879 21.3880 k = 0.4569 0.2638 0.1865 ( 981 PWs) bands (ev): -40.0070 -40.0070 -17.5450 -17.5450 -15.5563 -15.5563 -15.2617 -15.2617 1.8054 1.8054 8.8239 8.8239 10.7262 10.7262 10.7444 10.7444 17.3622 17.3622 17.3798 17.3798 17.7208 17.7208 20.5453 20.5453 21.4285 21.4285 k = 0.4655 0.2688 0.1900 ( 978 PWs) bands (ev): -40.0066 -40.0066 -17.5463 -17.5463 -15.5583 -15.5583 -15.2620 -15.2620 1.8186 1.8186 8.8000 8.8000 10.7151 10.7151 10.7333 10.7333 17.3836 17.3836 17.4024 17.4024 17.7661 17.7661 20.5062 20.5062 21.4621 21.4622 k = 0.4741 0.2737 0.1936 ( 978 PWs) bands (ev): -40.0063 -40.0063 -17.5474 -17.5474 -15.5599 -15.5599 -15.2623 -15.2623 1.8289 1.8289 8.7813 8.7813 10.7064 10.7064 10.7247 10.7247 17.4003 17.4003 17.4200 17.4200 17.8028 17.8028 20.4740 20.4740 21.4885 21.4885 k = 0.4828 0.2787 0.1971 ( 978 PWs) bands (ev): -40.0061 -40.0061 -17.5481 -17.5481 -15.5611 -15.5611 -15.2625 -15.2625 1.8363 1.8363 8.7679 8.7679 10.7001 10.7001 10.7185 10.7185 17.4123 17.4123 17.4327 17.4327 17.8299 17.8299 20.4500 20.4500 21.5075 21.5075 k = 0.4914 0.2837 0.2006 ( 978 PWs) bands (ev): -40.0060 -40.0060 -17.5485 -17.5485 -15.5618 -15.5618 -15.2626 -15.2626 1.8408 1.8408 8.7599 8.7599 10.6964 10.6964 10.7148 10.7148 17.4196 17.4196 17.4403 17.4403 17.8466 17.8466 20.4351 20.4351 21.5189 21.5189 k = 0.5000 0.2887 0.2041 ( 978 PWs) bands (ev): -40.0060 -40.0060 -17.5487 -17.5487 -15.5620 -15.5620 -15.2626 -15.2626 1.8423 1.8423 8.7572 8.7572 10.6952 10.6952 10.7136 10.7136 17.4220 17.4220 17.4429 17.4429 17.8522 17.8522 20.4300 20.4300 21.5228 21.5228 k = 0.5000 0.2887 0.2041 ( 978 PWs) bands (ev): -40.0060 -40.0060 -17.5487 -17.5487 -15.5620 -15.5620 -15.2626 -15.2626 1.8423 1.8423 8.7572 8.7572 10.6952 10.6952 10.7136 10.7136 17.4220 17.4220 17.4429 17.4429 17.8522 17.8522 20.4300 20.4300 21.5228 21.5228 k = 0.5030 0.2799 0.2091 ( 978 PWs) bands (ev): -40.0060 -40.0060 -17.5487 -17.5487 -15.5620 -15.5620 -15.2628 -15.2628 1.8416 1.8416 8.7590 8.7590 10.6959 10.6959 10.7144 10.7144 17.4201 17.4201 17.4412 17.4412 17.8511 17.8511 20.4325 20.4325 21.5214 21.5214 k = 0.5061 0.2711 0.2141 ( 978 PWs) bands (ev): -40.0059 -40.0059 -17.5488 -17.5488 -15.5619 -15.5619 -15.2634 -15.2634 1.8396 1.8396 8.7642 8.7642 10.6982 10.6982 10.7167 10.7167 17.4128 17.4128 17.4378 17.4378 17.8480 17.8480 20.4396 20.4396 21.5174 21.5174 k = 0.5091 0.2623 0.2191 ( 982 PWs) bands (ev): -40.0059 -40.0059 -17.5489 -17.5489 -15.5619 -15.5619 -15.2643 -15.2643 1.8363 1.8363 8.7730 8.7730 10.7019 10.7019 10.7206 10.7206 17.3977 17.3977 17.4354 17.4354 17.8429 17.8429 20.4505 20.4505 21.5106 21.5106 k = 0.5122 0.2535 0.2240 ( 983 PWs) bands (ev): -40.0058 -40.0058 -17.5491 -17.5491 -15.5617 -15.5617 -15.2656 -15.2656 1.8316 1.8316 8.7852 8.7852 10.7070 10.7070 10.7261 10.7261 17.3747 17.3747 17.4341 17.4341 17.8361 17.8361 20.4639 20.4639 21.5012 21.5012 k = 0.5152 0.2447 0.2290 ( 985 PWs) bands (ev): -40.0057 -40.0057 -17.5494 -17.5494 -15.5616 -15.5616 -15.2672 -15.2672 1.8257 1.8257 8.8008 8.8008 10.7135 10.7135 10.7331 10.7331 17.3450 17.3450 17.4334 17.4334 17.8277 17.8277 20.4778 20.4778 21.4890 21.4890 k = 0.5183 0.2359 0.2340 ( 989 PWs) bands (ev): -40.0057 -40.0057 -17.5497 -17.5497 -15.5614 -15.5614 -15.2693 -15.2693 1.8184 1.8184 8.8199 8.8199 10.7212 10.7212 10.7417 10.7417 17.3091 17.3091 17.4331 17.4331 17.8182 17.8182 20.4904 20.4904 21.4743 21.4743 k = 0.5213 0.2271 0.2390 ( 988 PWs) bands (ev): -40.0054 -40.0054 -17.5500 -17.5500 -15.5611 -15.5611 -15.2716 -15.2716 1.8100 1.8100 8.8422 8.8422 10.7302 10.7302 10.7520 10.7520 17.2680 17.2680 17.4330 17.4330 17.8076 17.8076 20.4994 20.4994 21.4571 21.4571 k = 0.5244 0.2183 0.2440 ( 988 PWs) bands (ev): -40.0051 -40.0051 -17.5504 -17.5504 -15.5608 -15.5608 -15.2743 -15.2743 1.8004 1.8004 8.8679 8.8679 10.7403 10.7403 10.7638 10.7638 17.2221 17.2221 17.4331 17.4331 17.7964 17.7964 20.5029 20.5029 21.4372 21.4372 k = 0.5274 0.2095 0.2489 ( 988 PWs) bands (ev): -40.0048 -40.0048 -17.5509 -17.5509 -15.5605 -15.5605 -15.2772 -15.2772 1.7897 1.7897 8.8967 8.8967 10.7513 10.7513 10.7773 10.7773 17.1720 17.1720 17.4334 17.4334 17.7846 17.7846 20.4996 20.4996 21.4150 21.4150 k = 0.5305 0.2007 0.2539 ( 988 PWs) bands (ev): -40.0045 -40.0045 -17.5514 -17.5514 -15.5601 -15.5601 -15.2805 -15.2805 1.7779 1.7779 8.9287 8.9287 10.7633 10.7633 10.7923 10.7923 17.1183 17.1183 17.4340 17.4340 17.7725 17.7725 20.4885 20.4885 21.3903 21.3903 k = 0.5335 0.1919 0.2589 ( 990 PWs) bands (ev): -40.0042 -40.0042 -17.5519 -17.5519 -15.5597 -15.5597 -15.2841 -15.2841 1.7650 1.7650 8.9636 8.9636 10.7761 10.7761 10.8089 10.8089 17.0615 17.0615 17.4349 17.4349 17.7604 17.7604 20.4694 20.4694 21.3632 21.3632 k = 0.5366 0.1831 0.2639 ( 992 PWs) bands (ev): -40.0038 -40.0038 -17.5525 -17.5525 -15.5593 -15.5593 -15.2880 -15.2880 1.7513 1.7513 9.0016 9.0016 10.7896 10.7896 10.8270 10.8270 17.0021 17.0021 17.4360 17.4360 17.7485 17.7485 20.4423 20.4423 21.3338 21.3338 k = 0.5396 0.1743 0.2688 ( 990 PWs) bands (ev): -40.0033 -40.0033 -17.5531 -17.5531 -15.5588 -15.5588 -15.2920 -15.2920 1.7366 1.7366 9.0423 9.0423 10.8038 10.8038 10.8466 10.8466 16.9405 16.9405 17.4376 17.4376 17.7370 17.7370 20.4080 20.4080 21.3023 21.3023 k = 0.5427 0.1655 0.2738 ( 990 PWs) bands (ev): -40.0029 -40.0029 -17.5538 -17.5538 -15.5583 -15.5583 -15.2964 -15.2964 1.7212 1.7212 9.0857 9.0857 10.8185 10.8185 10.8676 10.8676 16.8769 16.8769 17.4396 17.4396 17.7261 17.7261 20.3671 20.3671 21.2685 21.2685 k = 0.5457 0.1567 0.2788 ( 988 PWs) bands (ev): -40.0024 -40.0024 -17.5546 -17.5546 -15.5578 -15.5578 -15.3009 -15.3009 1.7049 1.7049 9.1318 9.1318 10.8338 10.8338 10.8900 10.8900 16.8119 16.8119 17.4421 17.4421 17.7162 17.7162 20.3205 20.3205 21.2325 21.2325 k = 0.5488 0.1479 0.2838 ( 988 PWs) bands (ev): -40.0019 -40.0019 -17.5553 -17.5553 -15.5572 -15.5572 -15.3056 -15.3056 1.6881 1.6881 9.1802 9.1802 10.8493 10.8493 10.9136 10.9136 16.7454 16.7454 17.4452 17.4452 17.7073 17.7073 20.2687 20.2687 21.1945 21.1945 k = 0.5518 0.1391 0.2888 ( 988 PWs) bands (ev): -40.0014 -40.0014 -17.5562 -17.5562 -15.5566 -15.5566 -15.3105 -15.3105 1.6706 1.6706 9.2310 9.2310 10.8652 10.8652 10.9385 10.9385 16.6777 16.6777 17.4489 17.4489 17.6997 17.6997 20.2128 20.2128 21.1545 21.1545 k = 0.5549 0.1303 0.2937 ( 990 PWs) bands (ev): -40.0009 -40.0009 -17.5570 -17.5570 -15.5559 -15.5559 -15.3155 -15.3155 1.6526 1.6526 9.2839 9.2839 10.8812 10.8812 10.9646 10.9646 16.6091 16.6091 17.4533 17.4533 17.6937 17.6937 20.1534 20.1534 21.1126 21.1126 k = 0.5579 0.1215 0.2987 ( 988 PWs) bands (ev): -40.0003 -40.0003 -17.5579 -17.5579 -15.5552 -15.5552 -15.3206 -15.3206 1.6341 1.6341 9.3389 9.3389 10.8974 10.8974 10.9918 10.9918 16.5396 16.5396 17.4585 17.4585 17.6893 17.6893 20.0911 20.0911 21.0687 21.0687 k = 0.5610 0.1127 0.3037 ( 990 PWs) bands (ev): -39.9998 -39.9998 -17.5589 -17.5589 -15.5545 -15.5545 -15.3258 -15.3258 1.6153 1.6153 9.3957 9.3957 10.9135 10.9135 11.0200 11.0200 16.4694 16.4694 17.4645 17.4645 17.6869 17.6869 20.0266 20.0266 21.0230 21.0230 k = 0.5640 0.1039 0.3087 ( 990 PWs) bands (ev): -39.9993 -39.9993 -17.5598 -17.5598 -15.5538 -15.5538 -15.3311 -15.3311 1.5962 1.5962 9.4541 9.4541 10.9295 10.9295 11.0492 11.0492 16.3985 16.3985 17.4714 17.4714 17.6864 17.6864 19.9606 19.9606 20.9755 20.9755 k = 0.5671 0.0951 0.3137 ( 981 PWs) bands (ev): -39.9984 -39.9984 -17.5608 -17.5608 -15.5531 -15.5531 -15.3364 -15.3364 1.5769 1.5769 9.5140 9.5140 10.9453 10.9453 11.0793 11.0793 16.3271 16.3271 17.4794 17.4794 17.6881 17.6881 19.8936 19.8936 20.9263 20.9263 k = 0.5701 0.0863 0.3186 ( 981 PWs) bands (ev): -39.9979 -39.9979 -17.5618 -17.5618 -15.5523 -15.5523 -15.3416 -15.3416 1.5574 1.5574 9.5752 9.5752 10.9609 10.9609 11.1103 11.1103 16.2552 16.2552 17.4883 17.4883 17.6920 17.6920 19.8260 19.8260 20.8753 20.8753 k = 0.5732 0.0774 0.3236 ( 981 PWs) bands (ev): -39.9973 -39.9973 -17.5628 -17.5628 -15.5516 -15.5516 -15.3469 -15.3469 1.5378 1.5378 9.6376 9.6376 10.9761 10.9761 11.1420 11.1420 16.1829 16.1829 17.4982 17.4982 17.6980 17.6980 19.7586 19.7586 20.8227 20.8227 k = 0.5762 0.0686 0.3286 ( 981 PWs) bands (ev): -39.9967 -39.9967 -17.5639 -17.5639 -15.5508 -15.5508 -15.3521 -15.3521 1.5182 1.5182 9.7008 9.7008 10.9908 10.9908 11.1744 11.1744 16.1102 16.1102 17.5093 17.5093 17.7063 17.7063 19.6917 19.6917 20.7685 20.7685 k = 0.5793 0.0598 0.3336 ( 983 PWs) bands (ev): -39.9962 -39.9962 -17.5649 -17.5649 -15.5501 -15.5501 -15.3572 -15.3572 1.4987 1.4987 9.7648 9.7648 11.0050 11.0050 11.2075 11.2075 16.0372 16.0372 17.5215 17.5215 17.7169 17.7169 19.6259 19.6259 20.7126 20.7126 k = 0.5823 0.0510 0.3385 ( 983 PWs) bands (ev): -39.9957 -39.9957 -17.5660 -17.5660 -15.5494 -15.5494 -15.3621 -15.3621 1.4793 1.4793 9.8293 9.8293 11.0186 11.0186 11.2412 11.2412 15.9640 15.9640 17.5348 17.5348 17.7296 17.7296 19.5617 19.5617 20.6552 20.6552 k = 0.5854 0.0422 0.3435 ( 983 PWs) bands (ev): -39.9951 -39.9951 -17.5670 -17.5670 -15.5487 -15.5487 -15.3669 -15.3669 1.4601 1.4601 9.8941 9.8941 11.0315 11.0315 11.2754 11.2754 15.8907 15.8907 17.5494 17.5494 17.7444 17.7444 19.4997 19.4997 20.5963 20.5963 k = 0.5884 0.0334 0.3485 ( 983 PWs) bands (ev): -39.9946 -39.9946 -17.5681 -17.5681 -15.5481 -15.5481 -15.3716 -15.3716 1.4411 1.4411 9.9590 9.9590 11.0437 11.0437 11.3100 11.3100 15.8173 15.8173 17.5650 17.5650 17.7611 17.7611 19.4402 19.4402 20.5359 20.5359 k = 0.5915 0.0246 0.3535 ( 983 PWs) bands (ev): -39.9941 -39.9941 -17.5691 -17.5691 -15.5475 -15.5475 -15.3760 -15.3760 1.4224 1.4224 10.0239 10.0239 11.0550 11.0550 11.3449 11.3449 15.7439 15.7439 17.5818 17.5818 17.7795 17.7795 19.3838 19.3838 20.4741 20.4741 k = 0.5945 0.0158 0.3585 ( 989 PWs) bands (ev): -39.9938 -39.9938 -17.5701 -17.5701 -15.5470 -15.5470 -15.3801 -15.3801 1.4040 1.4040 10.0884 10.0884 11.0654 11.0654 11.3802 11.3802 15.6707 15.6707 17.5997 17.5997 17.7993 17.7993 19.3309 19.3309 20.4109 20.4109 k = 0.5976 0.0070 0.3634 ( 987 PWs) bands (ev): -39.9933 -39.9933 -17.5711 -17.5711 -15.5465 -15.5465 -15.3840 -15.3840 1.3860 1.3860 10.1524 10.1524 11.0749 11.0749 11.4158 11.4158 15.5977 15.5977 17.6186 17.6186 17.8204 17.8204 19.2822 19.2822 20.3464 20.3464 k = 0.6006-0.0018 0.3684 ( 987 PWs) bands (ev): -39.9928 -39.9928 -17.5720 -17.5720 -15.5461 -15.5461 -15.3876 -15.3876 1.3685 1.3685 10.2158 10.2158 11.0834 11.0834 11.4516 11.4516 15.5250 15.5250 17.6386 17.6386 17.8424 17.8424 19.2380 19.2380 20.2805 20.2805 k = 0.6037-0.0106 0.3734 ( 985 PWs) bands (ev): -39.9924 -39.9924 -17.5729 -17.5729 -15.5458 -15.5458 -15.3909 -15.3909 1.3514 1.3514 10.2782 10.2782 11.0908 11.0908 11.4875 11.4875 15.4527 15.4527 17.6594 17.6594 17.8650 17.8650 19.1988 19.1988 20.2133 20.2133 k = 0.6067-0.0194 0.3784 ( 985 PWs) bands (ev): -39.9920 -39.9920 -17.5738 -17.5738 -15.5455 -15.5455 -15.3938 -15.3938 1.3348 1.3348 10.3396 10.3396 11.0971 11.0971 11.5235 11.5235 15.3808 15.3808 17.6811 17.6811 17.8878 17.8878 19.1650 19.1650 20.1450 20.1450 k = 0.6098-0.0282 0.3834 ( 983 PWs) bands (ev): -39.9916 -39.9916 -17.5746 -17.5746 -15.5454 -15.5454 -15.3963 -15.3963 1.3187 1.3187 10.3996 10.3996 11.1023 11.1023 11.5596 11.5596 15.3096 15.3096 17.7035 17.7035 17.9106 17.9106 19.1369 19.1369 20.0754 20.0754 k = 0.6128-0.0370 0.3883 ( 985 PWs) bands (ev): -39.9913 -39.9913 -17.5753 -17.5753 -15.5453 -15.5453 -15.3985 -15.3985 1.3032 1.3032 10.4582 10.4582 11.1064 11.1064 11.5956 11.5956 15.2390 15.2390 17.7265 17.7265 17.9329 17.9329 19.1147 19.1147 20.0047 20.0047 k = 0.6159-0.0458 0.3933 ( 985 PWs) bands (ev): -39.9910 -39.9910 -17.5759 -17.5759 -15.5453 -15.5453 -15.4003 -15.4003 1.2883 1.2883 10.5151 10.5151 11.1094 11.1094 11.6317 11.6317 15.1691 15.1691 17.7501 17.7501 17.9545 17.9545 19.0987 19.0987 19.9330 19.9330 k = 0.6189-0.0546 0.3983 ( 985 PWs) bands (ev): -39.9908 -39.9908 -17.5765 -17.5765 -15.5454 -15.5454 -15.4017 -15.4017 1.2740 1.2740 10.5699 10.5699 11.1116 11.1116 11.6676 11.6676 15.1002 15.1002 17.7741 17.7741 17.9752 17.9752 19.0888 19.0888 19.8602 19.8602 k = 0.6220-0.0634 0.4033 ( 981 PWs) bands (ev): -39.9905 -39.9905 -17.5769 -17.5769 -15.5455 -15.5455 -15.4028 -15.4028 1.2603 1.2603 10.6223 10.6223 11.1130 11.1130 11.7034 11.7034 15.0321 15.0321 17.7983 17.7983 17.9949 17.9949 19.0849 19.0849 19.7865 19.7865 k = 0.6250-0.0722 0.4082 ( 977 PWs) bands (ev): -39.9902 -39.9902 -17.5773 -17.5773 -15.5456 -15.5456 -15.4034 -15.4034 1.2472 1.2472 10.6719 10.6719 11.1141 11.1141 11.7391 11.7391 14.9651 14.9651 17.8226 17.8226 18.0136 18.0136 19.0868 19.0868 19.7120 19.7120 k = 0.6250-0.0722 0.4082 ( 977 PWs) bands (ev): -39.9902 -39.9902 -17.5773 -17.5773 -15.5456 -15.5456 -15.4034 -15.4034 1.2472 1.2472 10.6719 10.6719 11.1141 11.1141 11.7391 11.7391 14.9651 14.9651 17.8226 17.8226 18.0136 18.0136 19.0868 19.0868 19.7120 19.7120 k = 0.6198-0.0692 0.4168 ( 983 PWs) bands (ev): -39.9904 -39.9904 -17.5773 -17.5773 -15.5456 -15.5456 -15.4036 -15.4036 1.2473 1.2473 10.6727 10.6727 11.1142 11.1142 11.7370 11.7370 14.9689 14.9689 17.8119 17.8119 18.0219 18.0219 19.0837 19.0837 19.7130 19.7130 k = 0.6146-0.0662 0.4253 ( 984 PWs) bands (ev): -39.9904 -39.9904 -17.5773 -17.5773 -15.5453 -15.5453 -15.4040 -15.4040 1.2475 1.2475 10.6750 10.6750 11.1145 11.1145 11.7307 11.7307 14.9803 14.9803 17.7840 17.7840 18.0430 18.0430 19.0748 19.0748 19.7163 19.7163 k = 0.6094-0.0631 0.4338 ( 984 PWs) bands (ev): -39.9904 -39.9904 -17.5774 -17.5774 -15.5450 -15.5450 -15.4046 -15.4046 1.2480 1.2480 10.6788 10.6788 11.1149 11.1149 11.7205 11.7205 14.9992 14.9992 17.7455 17.7455 18.0700 18.0700 19.0605 19.0605 19.7215 19.7215 k = 0.6042-0.0601 0.4423 ( 988 PWs) bands (ev): -39.9904 -39.9904 -17.5774 -17.5774 -15.5445 -15.5445 -15.4055 -15.4055 1.2486 1.2486 10.6840 10.6840 11.1156 11.1156 11.7064 11.7064 15.0252 15.0252 17.7007 17.7007 18.0988 18.0988 19.0413 19.0413 19.7281 19.7281 k = 0.5990-0.0571 0.4508 ( 992 PWs) bands (ev): -39.9905 -39.9905 -17.5775 -17.5775 -15.5438 -15.5438 -15.4067 -15.4067 1.2494 1.2494 10.6907 10.6907 11.1164 11.1164 11.6888 11.6888 15.0581 15.0581 17.6515 17.6515 18.1275 18.1275 19.0179 19.0179 19.7357 19.7357 k = 0.5938-0.0541 0.4593 ( 992 PWs) bands (ev): -39.9905 -39.9905 -17.5776 -17.5776 -15.5430 -15.5430 -15.4081 -15.4081 1.2504 1.2504 10.6988 10.6988 11.1174 11.1174 11.6681 11.6681 15.0975 15.0975 17.5990 17.5990 18.1552 18.1552 18.9912 18.9912 19.7439 19.7439 k = 0.5885-0.0511 0.4678 ( 994 PWs) bands (ev): -39.9905 -39.9905 -17.5777 -17.5777 -15.5421 -15.5421 -15.4097 -15.4097 1.2515 1.2515 10.7081 10.7081 11.1186 11.1186 11.6446 11.6446 15.1429 15.1429 17.5437 17.5437 18.1814 18.1814 18.9619 18.9619 19.7521 19.7521 k = 0.5833-0.0481 0.4763 ( 995 PWs) bands (ev): -39.9904 -39.9904 -17.5778 -17.5778 -15.5411 -15.5411 -15.4115 -15.4115 1.2527 1.2527 10.7186 10.7186 11.1200 11.1200 11.6188 11.6188 15.1938 15.1938 17.4861 17.4861 18.2057 18.2057 18.9309 18.9309 19.7600 19.7600 k = 0.5781-0.0451 0.4848 ( 993 PWs) bands (ev): -39.9903 -39.9903 -17.5780 -17.5780 -15.5399 -15.5399 -15.4134 -15.4134 1.2540 1.2540 10.7302 10.7302 11.1216 11.1216 11.5911 11.5911 15.2497 15.2497 17.4264 17.4264 18.2280 18.2280 18.8988 18.8988 19.7674 19.7674 k = 0.5729-0.0421 0.4933 ( 993 PWs) bands (ev): -39.9902 -39.9902 -17.5781 -17.5781 -15.5386 -15.5386 -15.4155 -15.4155 1.2554 1.2554 10.7427 10.7427 11.1234 11.1234 11.5619 11.5619 15.3100 15.3100 17.3647 17.3647 18.2483 18.2483 18.8663 18.8663 19.7740 19.7740 k = 0.5677-0.0391 0.5018 ( 989 PWs) bands (ev): -39.9900 -39.9900 -17.5782 -17.5782 -15.5373 -15.5373 -15.4178 -15.4178 1.2569 1.2569 10.7561 10.7561 11.1253 11.1253 11.5316 11.5316 15.3744 15.3744 17.3013 17.3013 18.2666 18.2666 18.8341 18.8341 19.7798 19.7798 k = 0.5625-0.0361 0.5103 ( 988 PWs) bands (ev): -39.9899 -39.9899 -17.5784 -17.5784 -15.5359 -15.5359 -15.4201 -15.4201 1.2584 1.2584 10.7701 10.7701 11.1275 11.1275 11.5008 11.5008 15.4421 15.4421 17.2362 17.2362 18.2828 18.2828 18.8028 18.8028 19.7846 19.7846 k = 0.5573-0.0331 0.5188 ( 988 PWs) bands (ev): -39.9898 -39.9898 -17.5786 -17.5786 -15.5344 -15.5344 -15.4225 -15.4225 1.2599 1.2599 10.7847 10.7847 11.1298 11.1298 11.4697 11.4697 15.5127 15.5127 17.1696 17.1696 18.2969 18.2969 18.7729 18.7729 19.7883 19.7883 k = 0.5521-0.0301 0.5273 ( 988 PWs) bands (ev): -39.9897 -39.9897 -17.5787 -17.5787 -15.5329 -15.5329 -15.4250 -15.4250 1.2614 1.2614 10.7995 10.7995 11.1323 11.1323 11.4390 11.4390 15.5857 15.5857 17.1016 17.1016 18.3090 18.3090 18.7448 18.7448 19.7911 19.7911 k = 0.5469-0.0271 0.5358 ( 990 PWs) bands (ev): -39.9896 -39.9896 -17.5789 -17.5789 -15.5314 -15.5314 -15.4274 -15.4274 1.2629 1.2629 10.8145 10.8145 11.1348 11.1348 11.4088 11.4088 15.6606 15.6606 17.0323 17.0323 18.3192 18.3192 18.7191 18.7191 19.7929 19.7929 k = 0.5417-0.0241 0.5443 ( 990 PWs) bands (ev): -39.9895 -39.9895 -17.5791 -17.5791 -15.5299 -15.5299 -15.4298 -15.4298 1.2644 1.2644 10.8295 10.8295 11.1374 11.1374 11.3798 11.3798 15.7371 15.7371 16.9618 16.9618 18.3276 18.3276 18.6960 18.6960 19.7938 19.7938 k = 0.5365-0.0210 0.5528 ( 986 PWs) bands (ev): -39.9893 -39.9893 -17.5792 -17.5792 -15.5285 -15.5285 -15.4321 -15.4321 1.2657 1.2657 10.8441 10.8441 11.1398 11.1398 11.3524 11.3524 15.8148 15.8148 16.8903 16.8903 18.3344 18.3344 18.6758 18.6758 19.7940 19.7940 k = 0.5312-0.0180 0.5613 ( 988 PWs) bands (ev): -39.9893 -39.9893 -17.5794 -17.5794 -15.5272 -15.5272 -15.4342 -15.4342 1.2670 1.2670 10.8581 10.8581 11.1420 11.1420 11.3270 11.3270 15.8931 15.8931 16.8177 16.8177 18.3395 18.3395 18.6586 18.6586 19.7935 19.7935 k = 0.5260-0.0150 0.5698 ( 986 PWs) bands (ev): -39.9892 -39.9892 -17.5795 -17.5795 -15.5259 -15.5259 -15.4362 -15.4362 1.2681 1.2681 10.8711 10.8711 11.1436 11.1436 11.3045 11.3045 15.9718 15.9718 16.7442 16.7442 18.3435 18.3435 18.6446 18.6446 19.7925 19.7925 k = 0.5208-0.0120 0.5784 ( 984 PWs) bands (ev): -39.9890 -39.9890 -17.5796 -17.5796 -15.5249 -15.5249 -15.4378 -15.4378 1.2691 1.2691 10.8829 10.8829 11.1446 11.1446 11.2853 11.2853 16.0506 16.0506 16.6700 16.6700 18.3462 18.3462 18.6336 18.6336 19.7912 19.7912 k = 0.5156-0.0090 0.5869 ( 988 PWs) bands (ev): -39.9891 -39.9891 -17.5797 -17.5797 -15.5240 -15.5240 -15.4392 -15.4392 1.2699 1.2699 10.8929 10.8929 11.1446 11.1446 11.2701 11.2701 16.1292 16.1292 16.5952 16.5952 18.3481 18.3481 18.6255 18.6255 19.7897 19.7897 k = 0.5104-0.0060 0.5954 ( 992 PWs) bands (ev): -39.9892 -39.9892 -17.5798 -17.5798 -15.5234 -15.5234 -15.4403 -15.4403 1.2705 1.2705 10.9007 10.9007 11.1437 11.1437 11.2596 11.2596 16.2071 16.2071 16.5200 16.5200 18.3493 18.3493 18.6200 18.6200 19.7884 19.7884 k = 0.5052-0.0030 0.6039 ( 992 PWs) bands (ev): -39.9892 -39.9892 -17.5799 -17.5799 -15.5230 -15.5230 -15.4409 -15.4409 1.2708 1.2708 10.9057 10.9057 11.1425 11.1425 11.2536 11.2536 16.2833 16.2833 16.4454 16.4454 18.3500 18.3500 18.6170 18.6170 19.7875 19.7875 k = 0.5000 0.0000 0.6124 ( 992 PWs) bands (ev): -39.9892 -39.9892 -17.5799 -17.5799 -15.5229 -15.5229 -15.4411 -15.4411 1.2710 1.2710 10.9074 10.9074 11.1419 11.1419 11.2517 11.2517 16.3400 16.3400 16.3893 16.3893 18.3502 18.3502 18.6161 18.6161 19.7871 19.7871 k = 0.5000 0.0000 0.6124 ( 992 PWs) bands (ev): -39.9892 -39.9892 -17.5799 -17.5799 -15.5229 -15.5229 -15.4411 -15.4411 1.2710 1.2710 10.9074 10.9074 11.1419 11.1419 11.2517 11.2517 16.3400 16.3400 16.3893 16.3893 18.3502 18.3502 18.6161 18.6161 19.7871 19.7871 k = 0.5000 0.0060 0.6039 ( 992 PWs) bands (ev): -39.9892 -39.9892 -17.5799 -17.5799 -15.5230 -15.5230 -15.4409 -15.4409 1.2716 1.2716 10.9006 10.9006 11.1441 11.1441 11.2529 11.2529 16.3401 16.3401 16.3895 16.3895 18.3499 18.3499 18.6184 18.6184 19.7897 19.7897 k = 0.5000 0.0120 0.5954 ( 992 PWs) bands (ev): -39.9892 -39.9892 -17.5797 -17.5797 -15.5234 -15.5234 -15.4401 -15.4401 1.2733 1.2733 10.8812 10.8812 11.1496 11.1496 11.2565 11.2565 16.3405 16.3405 16.3901 16.3901 18.3488 18.3488 18.6255 18.6255 19.7974 19.7974 k = 0.5000 0.0180 0.5869 ( 990 PWs) bands (ev): -39.9893 -39.9893 -17.5795 -17.5795 -15.5239 -15.5239 -15.4388 -15.4388 1.2761 1.2761 10.8519 10.8519 11.1559 11.1559 11.2624 11.2624 16.3411 16.3411 16.3915 16.3915 18.3466 18.3466 18.6375 18.6375 19.8102 19.8102 k = 0.5000 0.0241 0.5784 ( 984 PWs) bands (ev): -39.9892 -39.9892 -17.5792 -17.5792 -15.5247 -15.5247 -15.4371 -15.4371 1.2801 1.2801 10.8152 10.8152 11.1610 11.1610 11.2702 11.2702 16.3416 16.3416 16.3940 16.3940 18.3432 18.3432 18.6545 18.6545 19.8280 19.8280 k = 0.5000 0.0301 0.5698 ( 988 PWs) bands (ev): -39.9895 -39.9895 -17.5789 -17.5789 -15.5257 -15.5257 -15.4349 -15.4349 1.2852 1.2852 10.7728 10.7728 11.1639 11.1639 11.2792 11.2792 16.3417 16.3417 16.3981 16.3981 18.3381 18.3381 18.6767 18.6767 19.8507 19.8507 k = 0.5000 0.0361 0.5613 ( 988 PWs) bands (ev): -39.9897 -39.9897 -17.5784 -17.5784 -15.5269 -15.5269 -15.4323 -15.4323 1.2914 1.2914 10.7260 10.7260 11.1646 11.1646 11.2884 11.2884 16.3415 16.3415 16.4042 16.4042 18.3312 18.3312 18.7040 18.7040 19.8779 19.8779 k = 0.5000 0.0421 0.5528 ( 990 PWs) bands (ev): -39.9900 -39.9900 -17.5779 -17.5779 -15.5281 -15.5281 -15.4293 -15.4293 1.2987 1.2987 10.6757 10.6757 11.1632 11.1632 11.2966 11.2966 16.3409 16.3409 16.4127 16.4127 18.3223 18.3223 18.7364 18.7364 19.9095 19.9095 k = 0.5000 0.0481 0.5443 ( 988 PWs) bands (ev): -39.9902 -39.9902 -17.5773 -17.5773 -15.5295 -15.5295 -15.4260 -15.4260 1.3070 1.3070 10.6224 10.6224 11.1601 11.1601 11.3033 11.3033 16.3403 16.3403 16.4236 16.4236 18.3114 18.3114 18.7738 18.7738 19.9453 19.9453 k = 0.5000 0.0541 0.5358 ( 992 PWs) bands (ev): -39.9906 -39.9906 -17.5767 -17.5767 -15.5309 -15.5309 -15.4224 -15.4224 1.3163 1.3163 10.5668 10.5668 11.1556 11.1556 11.3078 11.3078 16.3398 16.3398 16.4371 16.4371 18.2985 18.2985 18.8157 18.8157 19.9848 19.9848 k = 0.5000 0.0601 0.5273 ( 992 PWs) bands (ev): -39.9910 -39.9910 -17.5760 -17.5760 -15.5323 -15.5323 -15.4185 -15.4185 1.3267 1.3267 10.5090 10.5090 11.1499 11.1499 11.3099 11.3099 16.3400 16.3400 16.4532 16.4532 18.2837 18.2837 18.8620 18.8620 20.0279 20.0279 k = 0.5000 0.0662 0.5188 ( 992 PWs) bands (ev): -39.9913 -39.9913 -17.5752 -17.5752 -15.5338 -15.5338 -15.4143 -15.4143 1.3379 1.3379 10.4495 10.4495 11.1430 11.1430 11.3093 11.3093 16.3409 16.3409 16.4719 16.4719 18.2672 18.2672 18.9122 18.9122 20.0741 20.0741 k = 0.5000 0.0722 0.5103 ( 984 PWs) bands (ev): -39.9914 -39.9914 -17.5744 -17.5744 -15.5353 -15.5353 -15.4099 -15.4099 1.3501 1.3501 10.3884 10.3884 11.1352 11.1352 11.3060 11.3060 16.3432 16.3432 16.4932 16.4932 18.2491 18.2491 18.9660 18.9660 20.1232 20.1232 k = 0.5000 0.0782 0.5018 ( 990 PWs) bands (ev): -39.9921 -39.9921 -17.5736 -17.5736 -15.5368 -15.5368 -15.4053 -15.4053 1.3631 1.3631 10.3262 10.3262 11.1264 11.1264 11.3000 11.3000 16.3467 16.3467 16.5171 16.5171 18.2294 18.2294 19.0230 19.0230 20.1745 20.1745 k = 0.5000 0.0842 0.4933 ( 990 PWs) bands (ev): -39.9925 -39.9925 -17.5726 -17.5726 -15.5382 -15.5382 -15.4005 -15.4005 1.3770 1.3770 10.2629 10.2629 11.1167 11.1167 11.2915 11.2915 16.3520 16.3520 16.5435 16.5435 18.2085 18.2085 19.0830 19.0830 20.2280 20.2280 k = 0.5000 0.0902 0.4848 ( 988 PWs) bands (ev): -39.9929 -39.9929 -17.5717 -17.5717 -15.5397 -15.5397 -15.3956 -15.3956 1.3916 1.3916 10.1988 10.1988 11.1062 11.1062 11.2804 11.2804 16.3592 16.3592 16.5724 16.5724 18.1865 18.1865 19.1455 19.1455 20.2831 20.2831 k = 0.5000 0.0962 0.4763 ( 988 PWs) bands (ev): -39.9934 -39.9934 -17.5707 -17.5707 -15.5411 -15.5411 -15.3905 -15.3905 1.4069 1.4069 10.1342 10.1342 11.0948 11.0948 11.2669 11.2669 16.3685 16.3685 16.6036 16.6036 18.1635 18.1635 19.2102 19.2102 20.3395 20.3395 k = 0.5000 0.1022 0.4678 ( 988 PWs) bands (ev): -39.9939 -39.9939 -17.5697 -17.5697 -15.5424 -15.5424 -15.3853 -15.3853 1.4229 1.4229 10.0691 10.0691 11.0827 11.0827 11.2513 11.2513 16.3800 16.3800 16.6371 16.6371 18.1398 18.1398 19.2769 19.2769 20.3969 20.3969 k = 0.5000 0.1083 0.4593 ( 984 PWs) bands (ev): -39.9942 -39.9942 -17.5687 -17.5687 -15.5437 -15.5437 -15.3800 -15.3800 1.4394 1.4394 10.0038 10.0038 11.0699 11.0699 11.2338 11.2338 16.3940 16.3940 16.6728 16.6728 18.1155 18.1155 19.3451 19.3451 20.4550 20.4550 k = 0.5000 0.1143 0.4508 ( 982 PWs) bands (ev): -39.9947 -39.9947 -17.5677 -17.5677 -15.5450 -15.5450 -15.3745 -15.3745 1.4565 1.4565 9.9386 9.9386 11.0564 11.0564 11.2145 11.2145 16.4104 16.4104 16.7103 16.7103 18.0908 18.0908 19.4146 19.4146 20.5134 20.5134 k = 0.5000 0.1203 0.4423 ( 984 PWs) bands (ev): -39.9953 -39.9953 -17.5666 -17.5666 -15.5463 -15.5463 -15.3691 -15.3691 1.4740 1.4740 9.8735 9.8735 11.0423 11.0423 11.1937 11.1937 16.4294 16.4294 16.7495 16.7495 18.0658 18.0658 19.4850 19.4850 20.5718 20.5718 k = 0.5000 0.1263 0.4338 ( 980 PWs) bands (ev): -39.9957 -39.9957 -17.5656 -17.5656 -15.5474 -15.5474 -15.3635 -15.3635 1.4919 1.4919 9.8087 9.8087 11.0276 11.0276 11.1716 11.1716 16.4510 16.4510 16.7902 16.7902 18.0408 18.0408 19.5561 19.5561 20.6300 20.6300 k = 0.5000 0.1323 0.4253 ( 980 PWs) bands (ev): -39.9963 -39.9963 -17.5645 -17.5645 -15.5486 -15.5486 -15.3580 -15.3580 1.5101 1.5101 9.7445 9.7445 11.0124 11.0124 11.1484 11.1484 16.4753 16.4753 16.8321 16.8321 18.0159 18.0159 19.6276 19.6276 20.6876 20.6876 k = 0.5000 0.1383 0.4168 ( 980 PWs) bands (ev): -39.9968 -39.9968 -17.5635 -17.5635 -15.5497 -15.5497 -15.3524 -15.3524 1.5286 1.5286 9.6810 9.6810 10.9967 10.9967 11.1245 11.1245 16.5023 16.5023 16.8750 16.8750 17.9913 17.9913 19.6990 19.6990 20.7445 20.7445 k = 0.5000 0.1443 0.4082 ( 982 PWs) bands (ev): -39.9975 -39.9975 -17.5625 -17.5625 -15.5507 -15.5507 -15.3468 -15.3468 1.5472 1.5472 9.6184 9.6184 10.9807 10.9807 11.0999 11.0999 16.5319 16.5319 16.9186 16.9186 17.9671 17.9671 19.7701 19.7701 20.8003 20.8003 k = 0.5000 0.1504 0.3997 ( 980 PWs) bands (ev): -39.9980 -39.9980 -17.5615 -17.5615 -15.5517 -15.5517 -15.3413 -15.3413 1.5658 1.5658 9.5569 9.5569 10.9643 10.9643 11.0749 11.0749 16.5642 16.5642 16.9625 16.9625 17.9435 17.9435 19.8405 19.8405 20.8549 20.8549 k = 0.5000 0.1564 0.3912 ( 976 PWs) bands (ev): -39.9984 -39.9984 -17.5605 -17.5605 -15.5526 -15.5526 -15.3357 -15.3357 1.5845 1.5845 9.4966 9.4966 10.9477 10.9477 11.0497 11.0497 16.5990 16.5990 17.0065 17.0065 17.9208 17.9208 19.9100 19.9100 20.9082 20.9082 k = 0.5000 0.1624 0.3827 ( 976 PWs) bands (ev): -39.9990 -39.9990 -17.5595 -17.5595 -15.5535 -15.5535 -15.3303 -15.3303 1.6031 1.6031 9.4377 9.4377 10.9310 10.9310 11.0245 11.0245 16.6362 16.6362 17.0502 17.0502 17.8990 17.8990 19.9780 19.9780 20.9599 20.9599 k = 0.5000 0.1684 0.3742 ( 976 PWs) bands (ev): -39.9995 -39.9995 -17.5585 -17.5585 -15.5543 -15.5543 -15.3249 -15.3249 1.6216 1.6216 9.3803 9.3803 10.9142 10.9142 10.9994 10.9994 16.6757 16.6757 17.0932 17.0932 17.8784 17.8784 20.0443 20.0443 21.0099 21.0099 k = 0.5000 0.1744 0.3657 ( 976 PWs) bands (ev): -40.0001 -40.0001 -17.5576 -17.5576 -15.5551 -15.5551 -15.3197 -15.3197 1.6398 1.6398 9.3247 9.3247 10.8974 10.8974 10.9747 10.9747 16.7174 16.7174 17.1352 17.1352 17.8592 17.8592 20.1083 20.1083 21.0580 21.0580 k = 0.5000 0.1804 0.3572 ( 982 PWs) bands (ev): -40.0008 -40.0008 -17.5568 -17.5568 -15.5559 -15.5559 -15.3145 -15.3145 1.6577 1.6577 9.2709 9.2709 10.8808 10.8808 10.9505 10.9505 16.7610 16.7610 17.1758 17.1758 17.8416 17.8416 20.1696 20.1696 21.1041 21.1041 k = 0.5000 0.1864 0.3487 ( 982 PWs) bands (ev): -40.0013 -40.0013 -17.5559 -17.5559 -15.5565 -15.5565 -15.3095 -15.3095 1.6751 1.6751 9.2191 9.2191 10.8643 10.8643 10.9269 10.9269 16.8064 16.8064 17.2145 17.2145 17.8259 17.8259 20.2277 20.2277 21.1481 21.1481 k = 0.5000 0.1925 0.3402 ( 976 PWs) bands (ev): -40.0016 -40.0016 -17.5551 -17.5551 -15.5572 -15.5572 -15.3047 -15.3047 1.6921 1.6921 9.1695 9.1695 10.8481 10.8481 10.9041 10.9041 16.8533 16.8533 17.2509 17.2509 17.8124 17.8124 20.2821 20.2821 21.1900 21.1900 k = 0.5000 0.1985 0.3317 ( 982 PWs) bands (ev): -40.0023 -40.0023 -17.5544 -17.5544 -15.5578 -15.5578 -15.3000 -15.3000 1.7085 1.7085 9.1221 9.1221 10.8323 10.8323 10.8822 10.8822 16.9013 16.9013 17.2846 17.2846 17.8013 17.8013 20.3319 20.3319 21.2296 21.2296 k = 0.5000 0.2045 0.3232 ( 984 PWs) bands (ev): -40.0028 -40.0028 -17.5537 -17.5537 -15.5584 -15.5584 -15.2956 -15.2956 1.7243 1.7243 9.0772 9.0772 10.8170 10.8170 10.8613 10.8613 16.9502 16.9502 17.3150 17.3150 17.7929 17.7929 20.3766 20.3766 21.2668 21.2668 k = 0.5000 0.2105 0.3147 ( 984 PWs) bands (ev): -40.0032 -40.0032 -17.5530 -17.5530 -15.5589 -15.5589 -15.2913 -15.2913 1.7394 1.7394 9.0349 9.0349 10.8022 10.8022 10.8415 10.8415 16.9996 16.9996 17.3419 17.3419 17.7874 17.7874 20.4156 20.4156 21.3017 21.3017 k = 0.5000 0.2165 0.3062 ( 986 PWs) bands (ev): -40.0037 -40.0037 -17.5524 -17.5524 -15.5594 -15.5594 -15.2873 -15.2873 1.7537 1.7537 8.9951 8.9951 10.7880 10.7880 10.8229 10.8229 17.0490 17.0490 17.3649 17.3649 17.7850 17.7850 20.4480 20.4480 21.3341 21.3341 k = 0.5000 0.2225 0.2977 ( 984 PWs) bands (ev): -40.0040 -40.0040 -17.5518 -17.5518 -15.5598 -15.5598 -15.2836 -15.2836 1.7671 1.7671 8.9582 8.9582 10.7746 10.7746 10.8057 10.8057 17.0981 17.0981 17.3840 17.3840 17.7856 17.7856 20.4732 20.4732 21.3640 21.3640 k = 0.5000 0.2285 0.2892 ( 984 PWs) bands (ev): -40.0044 -40.0044 -17.5513 -17.5513 -15.5602 -15.5602 -15.2801 -15.2801 1.7796 1.7796 8.9241 8.9241 10.7619 10.7619 10.7898 10.7898 17.1461 17.1461 17.3991 17.3991 17.7891 17.7891 20.4908 20.4908 21.3914 21.3914 k = 0.5000 0.2345 0.2807 ( 984 PWs) bands (ev): -40.0047 -40.0047 -17.5508 -17.5508 -15.5605 -15.5605 -15.2769 -15.2769 1.7911 1.7911 8.8930 8.8930 10.7501 10.7501 10.7753 10.7753 17.1925 17.1925 17.4106 17.4106 17.7949 17.7949 20.5006 20.5006 21.4163 21.4163 k = 0.5000 0.2406 0.2722 ( 984 PWs) bands (ev): -40.0050 -40.0050 -17.5504 -17.5504 -15.5609 -15.5609 -15.2739 -15.2739 1.8015 1.8015 8.8649 8.8649 10.7392 10.7392 10.7623 10.7623 17.2367 17.2367 17.4190 17.4190 17.8024 17.8024 20.5029 20.5029 21.4385 21.4385 k = 0.5000 0.2466 0.2637 ( 986 PWs) bands (ev): -40.0053 -40.0053 -17.5500 -17.5500 -15.5611 -15.5611 -15.2713 -15.2713 1.8109 1.8109 8.8400 8.8400 10.7293 10.7293 10.7509 10.7509 17.2780 17.2780 17.4249 17.4249 17.8110 17.8110 20.4987 20.4987 21.4582 21.4582 k = 0.5000 0.2526 0.2552 ( 986 PWs) bands (ev): -40.0056 -40.0056 -17.5496 -17.5496 -15.5614 -15.5614 -15.2691 -15.2691 1.8191 1.8191 8.8182 8.8182 10.7206 10.7206 10.7409 10.7409 17.3157 17.3157 17.4288 17.4288 17.8200 17.8200 20.4894 20.4894 21.4753 21.4753 k = 0.5000 0.2586 0.2467 ( 988 PWs) bands (ev): -40.0058 -40.0058 -17.5494 -17.5494 -15.5616 -15.5616 -15.2671 -15.2671 1.8261 1.8261 8.7997 8.7997 10.7130 10.7130 10.7326 10.7326 17.3489 17.3489 17.4314 17.4314 17.8287 17.8287 20.4769 20.4769 21.4898 21.4898 k = 0.5000 0.2646 0.2381 ( 988 PWs) bands (ev): -40.0060 -40.0060 -17.5491 -17.5491 -15.5617 -15.5617 -15.2655 -15.2655 1.8319 1.8319 8.7844 8.7844 10.7067 10.7067 10.7257 10.7257 17.3768 17.3768 17.4333 17.4333 17.8366 17.8366 20.4631 20.4631 21.5017 21.5017 k = 0.5000 0.2706 0.2296 ( 978 PWs) bands (ev): -40.0058 -40.0058 -17.5489 -17.5489 -15.5619 -15.5619 -15.2642 -15.2642 1.8364 1.8364 8.7726 8.7726 10.7017 10.7017 10.7204 10.7204 17.3987 17.3987 17.4352 17.4352 17.8432 17.8432 20.4500 20.4500 21.5109 21.5109 k = 0.5000 0.2766 0.2211 ( 978 PWs) bands (ev): -40.0059 -40.0059 -17.5488 -17.5488 -15.5619 -15.5619 -15.2633 -15.2633 1.8397 1.8397 8.7641 8.7641 10.6981 10.6981 10.7166 10.7166 17.4131 17.4131 17.4379 17.4379 17.8481 17.8481 20.4394 20.4394 21.5175 21.5175 k = 0.5000 0.2827 0.2126 ( 978 PWs) bands (ev): -40.0060 -40.0060 -17.5487 -17.5487 -15.5620 -15.5620 -15.2628 -15.2628 1.8417 1.8417 8.7589 8.7589 10.6959 10.6959 10.7144 10.7144 17.4202 17.4202 17.4412 17.4412 17.8512 17.8512 20.4324 20.4324 21.5215 21.5215 k = 0.5000 0.2887 0.2041 ( 978 PWs) bands (ev): -40.0060 -40.0060 -17.5487 -17.5487 -15.5620 -15.5620 -15.2626 -15.2626 1.8423 1.8423 8.7572 8.7572 10.6952 10.6952 10.7136 10.7136 17.4220 17.4220 17.4429 17.4429 17.8522 17.8522 20.4300 20.4300 21.5228 21.5228 k = 0.5000 0.2887 0.2041 ( 978 PWs) bands (ev): -40.0060 -40.0060 -17.5487 -17.5487 -15.5620 -15.5620 -15.2626 -15.2626 1.8423 1.8423 8.7572 8.7572 10.6952 10.6952 10.7136 10.7136 17.4220 17.4220 17.4429 17.4429 17.8522 17.8522 20.4300 20.4300 21.5228 21.5228 k = 0.4970 0.2869 0.2141 ( 978 PWs) bands (ev): -40.0060 -40.0060 -17.5487 -17.5487 -15.5620 -15.5620 -15.2628 -15.2628 1.8416 1.8416 8.7590 8.7590 10.6959 10.6959 10.7144 10.7144 17.4201 17.4201 17.4412 17.4412 17.8511 17.8511 20.4325 20.4325 21.5214 21.5214 k = 0.4939 0.2852 0.2240 ( 978 PWs) bands (ev): -40.0059 -40.0059 -17.5488 -17.5488 -15.5619 -15.5619 -15.2634 -15.2634 1.8396 1.8396 8.7642 8.7642 10.6982 10.6982 10.7167 10.7167 17.4128 17.4128 17.4378 17.4378 17.8480 17.8480 20.4396 20.4396 21.5174 21.5174 k = 0.4909 0.2834 0.2340 ( 982 PWs) bands (ev): -40.0059 -40.0059 -17.5489 -17.5489 -15.5619 -15.5619 -15.2643 -15.2643 1.8363 1.8363 8.7730 8.7730 10.7019 10.7019 10.7206 10.7206 17.3977 17.3977 17.4354 17.4354 17.8429 17.8429 20.4505 20.4505 21.5106 21.5106 k = 0.4878 0.2816 0.2440 ( 983 PWs) bands (ev): -40.0058 -40.0058 -17.5491 -17.5491 -15.5617 -15.5617 -15.2656 -15.2656 1.8316 1.8316 8.7852 8.7852 10.7070 10.7070 10.7261 10.7261 17.3747 17.3747 17.4341 17.4341 17.8361 17.8361 20.4639 20.4639 21.5012 21.5012 k = 0.4848 0.2799 0.2539 ( 985 PWs) bands (ev): -40.0057 -40.0057 -17.5494 -17.5494 -15.5616 -15.5616 -15.2672 -15.2672 1.8257 1.8257 8.8008 8.8008 10.7135 10.7135 10.7331 10.7331 17.3450 17.3450 17.4334 17.4334 17.8277 17.8277 20.4778 20.4778 21.4890 21.4890 k = 0.4817 0.2781 0.2639 ( 989 PWs) bands (ev): -40.0057 -40.0057 -17.5497 -17.5497 -15.5614 -15.5614 -15.2693 -15.2693 1.8184 1.8184 8.8199 8.8199 10.7212 10.7212 10.7417 10.7417 17.3091 17.3091 17.4331 17.4331 17.8182 17.8182 20.4904 20.4904 21.4743 21.4743 k = 0.4787 0.2764 0.2738 ( 988 PWs) bands (ev): -40.0054 -40.0054 -17.5500 -17.5500 -15.5611 -15.5611 -15.2716 -15.2716 1.8100 1.8100 8.8422 8.8422 10.7302 10.7302 10.7520 10.7520 17.2680 17.2680 17.4330 17.4330 17.8076 17.8076 20.4994 20.4994 21.4571 21.4571 k = 0.4756 0.2746 0.2838 ( 988 PWs) bands (ev): -40.0051 -40.0051 -17.5504 -17.5504 -15.5608 -15.5608 -15.2743 -15.2743 1.8004 1.8004 8.8679 8.8679 10.7403 10.7403 10.7638 10.7638 17.2221 17.2221 17.4331 17.4331 17.7964 17.7964 20.5029 20.5029 21.4372 21.4372 k = 0.4726 0.2728 0.2937 ( 988 PWs) bands (ev): -40.0048 -40.0048 -17.5509 -17.5509 -15.5605 -15.5605 -15.2772 -15.2772 1.7897 1.7897 8.8967 8.8967 10.7513 10.7513 10.7773 10.7773 17.1720 17.1720 17.4334 17.4334 17.7846 17.7846 20.4996 20.4996 21.4150 21.4150 k = 0.4695 0.2711 0.3037 ( 988 PWs) bands (ev): -40.0045 -40.0045 -17.5514 -17.5514 -15.5601 -15.5601 -15.2805 -15.2805 1.7779 1.7779 8.9287 8.9287 10.7633 10.7633 10.7923 10.7923 17.1183 17.1183 17.4340 17.4340 17.7725 17.7725 20.4885 20.4885 21.3903 21.3903 k = 0.4665 0.2693 0.3137 ( 990 PWs) bands (ev): -40.0042 -40.0042 -17.5519 -17.5519 -15.5597 -15.5597 -15.2841 -15.2841 1.7650 1.7650 8.9636 8.9636 10.7761 10.7761 10.8089 10.8089 17.0615 17.0615 17.4349 17.4349 17.7604 17.7604 20.4694 20.4694 21.3632 21.3632 k = 0.4634 0.2676 0.3236 ( 992 PWs) bands (ev): -40.0038 -40.0038 -17.5525 -17.5525 -15.5593 -15.5593 -15.2880 -15.2880 1.7513 1.7513 9.0016 9.0016 10.7896 10.7896 10.8270 10.8270 17.0021 17.0021 17.4360 17.4360 17.7485 17.7485 20.4423 20.4423 21.3338 21.3338 k = 0.4604 0.2658 0.3336 ( 990 PWs) bands (ev): -40.0033 -40.0033 -17.5531 -17.5531 -15.5588 -15.5588 -15.2920 -15.2920 1.7366 1.7366 9.0423 9.0423 10.8038 10.8038 10.8466 10.8466 16.9405 16.9405 17.4376 17.4376 17.7370 17.7370 20.4080 20.4080 21.3023 21.3023 k = 0.4573 0.2640 0.3435 ( 990 PWs) bands (ev): -40.0029 -40.0029 -17.5538 -17.5538 -15.5583 -15.5583 -15.2964 -15.2964 1.7212 1.7212 9.0857 9.0857 10.8185 10.8185 10.8676 10.8676 16.8769 16.8769 17.4396 17.4396 17.7261 17.7261 20.3671 20.3671 21.2685 21.2685 k = 0.4543 0.2623 0.3535 ( 988 PWs) bands (ev): -40.0024 -40.0024 -17.5546 -17.5546 -15.5578 -15.5578 -15.3009 -15.3009 1.7049 1.7049 9.1318 9.1318 10.8338 10.8338 10.8900 10.8900 16.8119 16.8119 17.4421 17.4421 17.7162 17.7162 20.3205 20.3205 21.2325 21.2325 k = 0.4512 0.2605 0.3634 ( 988 PWs) bands (ev): -40.0019 -40.0019 -17.5553 -17.5553 -15.5572 -15.5572 -15.3056 -15.3056 1.6881 1.6881 9.1802 9.1802 10.8493 10.8493 10.9136 10.9136 16.7454 16.7454 17.4452 17.4452 17.7073 17.7073 20.2687 20.2687 21.1945 21.1945 k = 0.4482 0.2588 0.3734 ( 988 PWs) bands (ev): -40.0014 -40.0014 -17.5562 -17.5562 -15.5566 -15.5566 -15.3105 -15.3105 1.6706 1.6706 9.2310 9.2310 10.8652 10.8652 10.9385 10.9385 16.6777 16.6777 17.4489 17.4489 17.6997 17.6997 20.2128 20.2128 21.1545 21.1545 k = 0.4451 0.2570 0.3834 ( 990 PWs) bands (ev): -40.0009 -40.0009 -17.5570 -17.5570 -15.5559 -15.5559 -15.3155 -15.3155 1.6526 1.6526 9.2839 9.2839 10.8812 10.8812 10.9646 10.9646 16.6091 16.6091 17.4533 17.4533 17.6937 17.6937 20.1534 20.1534 21.1126 21.1126 k = 0.4421 0.2552 0.3933 ( 988 PWs) bands (ev): -40.0003 -40.0003 -17.5579 -17.5579 -15.5552 -15.5552 -15.3206 -15.3206 1.6341 1.6341 9.3389 9.3389 10.8974 10.8974 10.9918 10.9918 16.5396 16.5396 17.4585 17.4585 17.6893 17.6893 20.0911 20.0911 21.0687 21.0687 k = 0.4390 0.2535 0.4033 ( 990 PWs) bands (ev): -39.9998 -39.9998 -17.5589 -17.5589 -15.5545 -15.5545 -15.3258 -15.3258 1.6153 1.6153 9.3957 9.3957 10.9135 10.9135 11.0200 11.0200 16.4694 16.4694 17.4645 17.4645 17.6869 17.6869 20.0266 20.0266 21.0230 21.0230 k = 0.4360 0.2517 0.4132 ( 990 PWs) bands (ev): -39.9993 -39.9993 -17.5598 -17.5598 -15.5538 -15.5538 -15.3311 -15.3311 1.5962 1.5962 9.4541 9.4541 10.9295 10.9295 11.0492 11.0492 16.3985 16.3985 17.4714 17.4714 17.6864 17.6864 19.9606 19.9606 20.9755 20.9755 k = 0.4329 0.2500 0.4232 ( 981 PWs) bands (ev): -39.9984 -39.9984 -17.5608 -17.5608 -15.5531 -15.5531 -15.3364 -15.3364 1.5769 1.5769 9.5140 9.5140 10.9453 10.9453 11.0793 11.0793 16.3271 16.3271 17.4794 17.4794 17.6881 17.6881 19.8936 19.8936 20.9263 20.9263 k = 0.4299 0.2482 0.4331 ( 981 PWs) bands (ev): -39.9979 -39.9979 -17.5618 -17.5618 -15.5523 -15.5523 -15.3416 -15.3416 1.5574 1.5574 9.5752 9.5752 10.9609 10.9609 11.1103 11.1103 16.2552 16.2552 17.4883 17.4883 17.6920 17.6920 19.8260 19.8260 20.8753 20.8753 k = 0.4268 0.2464 0.4431 ( 981 PWs) bands (ev): -39.9973 -39.9973 -17.5628 -17.5628 -15.5516 -15.5516 -15.3469 -15.3469 1.5378 1.5378 9.6376 9.6376 10.9761 10.9761 11.1420 11.1420 16.1829 16.1829 17.4982 17.4982 17.6980 17.6980 19.7586 19.7586 20.8227 20.8227 k = 0.4238 0.2447 0.4531 ( 981 PWs) bands (ev): -39.9967 -39.9967 -17.5639 -17.5639 -15.5508 -15.5508 -15.3521 -15.3521 1.5182 1.5182 9.7008 9.7008 10.9908 10.9908 11.1744 11.1744 16.1102 16.1102 17.5093 17.5093 17.7063 17.7063 19.6917 19.6917 20.7685 20.7685 k = 0.4207 0.2429 0.4630 ( 983 PWs) bands (ev): -39.9962 -39.9962 -17.5649 -17.5649 -15.5501 -15.5501 -15.3572 -15.3572 1.4987 1.4987 9.7648 9.7648 11.0050 11.0050 11.2075 11.2075 16.0372 16.0372 17.5215 17.5215 17.7169 17.7169 19.6259 19.6259 20.7126 20.7126 k = 0.4177 0.2411 0.4730 ( 983 PWs) bands (ev): -39.9957 -39.9957 -17.5660 -17.5660 -15.5494 -15.5494 -15.3621 -15.3621 1.4793 1.4793 9.8293 9.8293 11.0186 11.0186 11.2412 11.2412 15.9640 15.9640 17.5348 17.5348 17.7296 17.7296 19.5617 19.5617 20.6552 20.6552 k = 0.4146 0.2394 0.4829 ( 983 PWs) bands (ev): -39.9951 -39.9951 -17.5670 -17.5670 -15.5487 -15.5487 -15.3669 -15.3669 1.4601 1.4601 9.8941 9.8941 11.0315 11.0315 11.2754 11.2754 15.8907 15.8907 17.5494 17.5494 17.7444 17.7444 19.4997 19.4997 20.5963 20.5963 k = 0.4116 0.2376 0.4929 ( 983 PWs) bands (ev): -39.9946 -39.9946 -17.5681 -17.5681 -15.5481 -15.5481 -15.3716 -15.3716 1.4411 1.4411 9.9590 9.9590 11.0437 11.0437 11.3100 11.3100 15.8173 15.8173 17.5650 17.5650 17.7611 17.7611 19.4402 19.4402 20.5359 20.5359 k = 0.4085 0.2359 0.5028 ( 983 PWs) bands (ev): -39.9941 -39.9941 -17.5691 -17.5691 -15.5475 -15.5475 -15.3760 -15.3760 1.4224 1.4224 10.0239 10.0239 11.0550 11.0550 11.3449 11.3449 15.7439 15.7439 17.5818 17.5818 17.7795 17.7795 19.3838 19.3838 20.4741 20.4741 k = 0.4055 0.2341 0.5128 ( 989 PWs) bands (ev): -39.9938 -39.9938 -17.5701 -17.5701 -15.5470 -15.5470 -15.3801 -15.3801 1.4040 1.4040 10.0884 10.0884 11.0654 11.0654 11.3802 11.3802 15.6707 15.6707 17.5997 17.5997 17.7993 17.7993 19.3309 19.3309 20.4109 20.4109 k = 0.4024 0.2323 0.5228 ( 987 PWs) bands (ev): -39.9933 -39.9933 -17.5711 -17.5711 -15.5465 -15.5465 -15.3840 -15.3840 1.3860 1.3860 10.1524 10.1524 11.0749 11.0749 11.4158 11.4158 15.5977 15.5977 17.6186 17.6186 17.8204 17.8204 19.2822 19.2822 20.3464 20.3464 k = 0.3994 0.2306 0.5327 ( 987 PWs) bands (ev): -39.9928 -39.9928 -17.5720 -17.5720 -15.5461 -15.5461 -15.3876 -15.3876 1.3685 1.3685 10.2158 10.2158 11.0834 11.0834 11.4516 11.4516 15.5250 15.5250 17.6386 17.6386 17.8424 17.8424 19.2380 19.2380 20.2805 20.2805 k = 0.3963 0.2288 0.5427 ( 985 PWs) bands (ev): -39.9924 -39.9924 -17.5729 -17.5729 -15.5458 -15.5458 -15.3909 -15.3909 1.3514 1.3514 10.2782 10.2782 11.0908 11.0908 11.4875 11.4875 15.4527 15.4527 17.6594 17.6594 17.8650 17.8650 19.1988 19.1988 20.2133 20.2133 k = 0.3933 0.2271 0.5526 ( 985 PWs) bands (ev): -39.9920 -39.9920 -17.5738 -17.5738 -15.5455 -15.5455 -15.3938 -15.3938 1.3348 1.3348 10.3396 10.3396 11.0971 11.0971 11.5235 11.5235 15.3808 15.3808 17.6811 17.6811 17.8878 17.8878 19.1650 19.1650 20.1450 20.1450 k = 0.3902 0.2253 0.5626 ( 983 PWs) bands (ev): -39.9916 -39.9916 -17.5746 -17.5746 -15.5454 -15.5454 -15.3963 -15.3963 1.3187 1.3187 10.3996 10.3996 11.1023 11.1023 11.5596 11.5596 15.3096 15.3096 17.7035 17.7035 17.9106 17.9106 19.1369 19.1369 20.0754 20.0754 k = 0.3872 0.2235 0.5725 ( 985 PWs) bands (ev): -39.9913 -39.9913 -17.5753 -17.5753 -15.5453 -15.5453 -15.3985 -15.3985 1.3032 1.3032 10.4582 10.4582 11.1064 11.1064 11.5956 11.5956 15.2390 15.2390 17.7265 17.7265 17.9329 17.9329 19.1147 19.1147 20.0047 20.0047 k = 0.3841 0.2218 0.5825 ( 985 PWs) bands (ev): -39.9910 -39.9910 -17.5759 -17.5759 -15.5453 -15.5453 -15.4003 -15.4003 1.2883 1.2883 10.5151 10.5151 11.1094 11.1094 11.6317 11.6317 15.1691 15.1691 17.7501 17.7501 17.9545 17.9545 19.0987 19.0987 19.9330 19.9330 k = 0.3811 0.2200 0.5925 ( 985 PWs) bands (ev): -39.9908 -39.9908 -17.5765 -17.5765 -15.5454 -15.5454 -15.4017 -15.4017 1.2740 1.2740 10.5699 10.5699 11.1116 11.1116 11.6676 11.6676 15.1002 15.1002 17.7741 17.7741 17.9752 17.9752 19.0888 19.0888 19.8602 19.8602 k = 0.3780 0.2183 0.6024 ( 981 PWs) bands (ev): -39.9905 -39.9905 -17.5769 -17.5769 -15.5455 -15.5455 -15.4028 -15.4028 1.2603 1.2603 10.6223 10.6223 11.1130 11.1130 11.7034 11.7034 15.0321 15.0321 17.7983 17.7983 17.9949 17.9949 19.0849 19.0849 19.7865 19.7865 k = 0.3750 0.2165 0.6124 ( 977 PWs) bands (ev): -39.9902 -39.9902 -17.5773 -17.5773 -15.5456 -15.5456 -15.4034 -15.4034 1.2472 1.2472 10.6719 10.6719 11.1141 11.1141 11.7391 11.7391 14.9651 14.9651 17.8226 17.8226 18.0136 18.0136 19.0868 19.0868 19.7120 19.7120 k = 0.6250-0.0722 0.4082 ( 977 PWs) bands (ev): -39.9902 -39.9902 -17.5773 -17.5773 -15.5456 -15.5456 -15.4034 -15.4034 1.2472 1.2472 10.6719 10.6719 11.1141 11.1141 11.7391 11.7391 14.9651 14.9651 17.8226 17.8226 18.0136 18.0136 19.0868 19.0868 19.7120 19.7120 k = 0.6198-0.0812 0.4082 ( 987 PWs) bands (ev): -39.9903 -39.9903 -17.5778 -17.5778 -15.5460 -15.5460 -15.4042 -15.4042 1.2253 1.2253 10.7544 10.7544 11.1166 11.1166 11.8006 11.8006 14.8523 14.8523 17.8632 17.8632 18.0439 18.0439 19.0932 19.0932 19.5836 19.5836 k = 0.6146-0.0902 0.4082 ( 991 PWs) bands (ev): -39.9902 -39.9902 -17.5783 -17.5783 -15.5464 -15.5464 -15.4046 -15.4046 1.2034 1.2034 10.8379 10.8379 11.1202 11.1202 11.8636 11.8636 14.7417 14.7417 17.9023 17.9023 18.0733 18.0733 19.0971 19.0971 19.4550 19.4550 k = 0.6094-0.0992 0.4082 ( 991 PWs) bands (ev): -39.9901 -39.9901 -17.5787 -17.5787 -15.5468 -15.5468 -15.4047 -15.4047 1.1817 1.1817 10.9214 10.9214 11.1256 11.1256 11.9277 11.9277 14.6331 14.6331 17.9397 17.9397 18.1017 18.1017 19.0985 19.0985 19.3268 19.3268 k = 0.6042-0.1083 0.4082 ( 989 PWs) bands (ev): -39.9898 -39.9898 -17.5790 -17.5790 -15.5474 -15.5474 -15.4046 -15.4046 1.1601 1.1601 11.0021 11.0021 11.1352 11.1352 11.9928 11.9928 14.5269 14.5269 17.9755 17.9755 18.1289 18.1289 19.0976 19.0976 19.1994 19.1994 k = 0.5990-0.1173 0.4082 ( 989 PWs) bands (ev): -39.9897 -39.9897 -17.5793 -17.5793 -15.5480 -15.5480 -15.4042 -15.4042 1.1389 1.1389 11.0695 11.0695 11.1595 11.1595 12.0587 12.0587 14.4229 14.4229 18.0095 18.0095 18.1550 18.1550 19.0732 19.0732 19.0943 19.0943 k = 0.5938-0.1263 0.4082 ( 989 PWs) bands (ev): -39.9896 -39.9896 -17.5796 -17.5796 -15.5487 -15.5487 -15.4035 -15.4035 1.1181 1.1181 11.1034 11.1034 11.2180 11.2180 12.1251 12.1251 14.3213 14.3213 18.0417 18.0417 18.1798 18.1798 18.9489 18.9489 19.0887 19.0887 k = 0.5885-0.1353 0.4082 ( 985 PWs) bands (ev): -39.9894 -39.9894 -17.5798 -17.5798 -15.5495 -15.5495 -15.4027 -15.4027 1.0979 1.0979 11.1165 11.1165 11.2981 11.2981 12.1916 12.1916 14.2221 14.2221 18.0721 18.0721 18.2032 18.2032 18.8271 18.8271 19.0811 19.0811 k = 0.5833-0.1443 0.4082 ( 985 PWs) bands (ev): -39.9893 -39.9893 -17.5800 -17.5800 -15.5503 -15.5503 -15.4017 -15.4017 1.0783 1.0783 11.1240 11.1240 11.3841 11.3841 12.2581 12.2581 14.1252 14.1252 18.1005 18.1005 18.2249 18.2249 18.7084 18.7084 19.0716 19.0716 k = 0.5781-0.1534 0.4082 ( 989 PWs) bands (ev): -39.9894 -39.9894 -17.5802 -17.5802 -15.5512 -15.5512 -15.4006 -15.4006 1.0594 1.0594 11.1297 11.1297 11.4720 11.4720 12.3242 12.3242 14.0308 14.0308 18.1270 18.1270 18.2441 18.2441 18.5941 18.5941 19.0604 19.0604 k = 0.5729-0.1624 0.4082 ( 993 PWs) bands (ev): -39.9895 -39.9895 -17.5804 -17.5804 -15.5521 -15.5521 -15.3993 -15.3993 1.0414 1.0414 11.1347 11.1347 11.5604 11.5604 12.3894 12.3894 13.9386 13.9386 18.1515 18.1515 18.2584 18.2584 18.4871 18.4871 19.0478 19.0478 k = 0.5677-0.1714 0.4082 ( 993 PWs) bands (ev): -39.9894 -39.9894 -17.5805 -17.5805 -15.5530 -15.5530 -15.3980 -15.3980 1.0242 1.0242 11.1392 11.1392 11.6488 11.6488 12.4534 12.4534 13.8487 13.8487 18.1738 18.1738 18.2587 18.2587 18.3974 18.3974 19.0341 19.0341 k = 0.5625-0.1804 0.4082 ( 981 PWs) bands (ev): -39.9890 -39.9890 -17.5806 -17.5806 -15.5539 -15.5539 -15.3966 -15.3966 1.0080 1.0080 11.1435 11.1435 11.7369 11.7369 12.5157 12.5157 13.7610 13.7610 18.1910 18.1910 18.2192 18.2192 18.3545 18.3545 19.0197 19.0197 k = 0.5573-0.1894 0.4082 ( 981 PWs) bands (ev): -39.9890 -39.9890 -17.5807 -17.5807 -15.5548 -15.5548 -15.3953 -15.3953 0.9929 0.9929 11.1475 11.1475 11.8242 11.8242 12.5760 12.5760 13.6755 13.6755 18.1319 18.1319 18.2161 18.2161 18.3532 18.3532 19.0047 19.0047 k = 0.5521-0.1985 0.4082 ( 981 PWs) bands (ev): -39.9890 -39.9890 -17.5808 -17.5808 -15.5557 -15.5557 -15.3939 -15.3939 0.9788 0.9788 11.1512 11.1512 11.9107 11.9107 12.6335 12.6335 13.5921 13.5921 18.0449 18.0449 18.2323 18.2323 18.3630 18.3630 18.9895 18.9895 k = 0.5469-0.2075 0.4082 ( 981 PWs) bands (ev): -39.9889 -39.9889 -17.5808 -17.5808 -15.5566 -15.5566 -15.3926 -15.3926 0.9659 0.9659 11.1547 11.1547 11.9960 11.9960 12.6879 12.6879 13.5107 13.5107 17.9602 17.9602 18.2473 18.2473 18.3750 18.3750 18.9744 18.9744 k = 0.5417-0.2165 0.4082 ( 981 PWs) bands (ev): -39.9889 -39.9889 -17.5809 -17.5809 -15.5573 -15.5573 -15.3913 -15.3913 0.9542 0.9542 11.1579 11.1579 12.0798 12.0798 12.7385 12.7385 13.4313 13.4313 17.8811 17.8811 18.2607 18.2607 18.3868 18.3868 18.9599 18.9599 k = 0.5365-0.2255 0.4082 ( 985 PWs) bands (ev): -39.9891 -39.9891 -17.5810 -17.5810 -15.5581 -15.5581 -15.3902 -15.3902 0.9438 0.9438 11.1608 11.1608 12.1620 12.1620 12.7848 12.7848 13.3540 13.3540 17.8088 17.8088 18.2723 18.2723 18.3979 18.3979 18.9462 18.9462 k = 0.5312-0.2345 0.4082 ( 984 PWs) bands (ev): -39.9890 -39.9890 -17.5810 -17.5810 -15.5587 -15.5587 -15.3891 -15.3891 0.9346 0.9346 11.1633 11.1633 12.2421 12.2421 12.8260 12.8260 13.2791 13.2791 17.7444 17.7444 18.2823 18.2823 18.4078 18.4078 18.9336 18.9336 k = 0.5260-0.2436 0.4082 ( 984 PWs) bands (ev): -39.9890 -39.9890 -17.5810 -17.5810 -15.5592 -15.5592 -15.3882 -15.3882 0.9269 0.9269 11.1655 11.1655 12.3196 12.3196 12.8613 12.8613 13.2070 13.2070 17.6886 17.6886 18.2906 18.2906 18.4164 18.4164 18.9225 18.9225 k = 0.5208-0.2526 0.4082 ( 982 PWs) bands (ev): -39.9890 -39.9890 -17.5811 -17.5811 -15.5597 -15.5597 -15.3874 -15.3874 0.9204 0.9204 11.1674 11.1674 12.3934 12.3934 12.8899 12.8899 13.1390 13.1390 17.6420 17.6420 18.2974 18.2974 18.4235 18.4235 18.9130 18.9130 k = 0.5156-0.2616 0.4082 ( 982 PWs) bands (ev): -39.9890 -39.9890 -17.5811 -17.5811 -15.5601 -15.5601 -15.3868 -15.3868 0.9154 0.9154 11.1688 11.1688 12.4619 12.4619 12.9100 12.9100 13.0779 13.0779 17.6052 17.6052 18.3026 18.3026 18.4291 18.4291 18.9054 18.9054 k = 0.5104-0.2706 0.4082 ( 982 PWs) bands (ev): -39.9890 -39.9890 -17.5811 -17.5811 -15.5603 -15.5603 -15.3863 -15.3863 0.9118 0.9118 11.1698 11.1698 12.5215 12.5215 12.9182 12.9182 13.0301 13.0301 17.5786 17.5786 18.3063 18.3063 18.4332 18.4332 18.8999 18.8999 k = 0.5052-0.2797 0.4082 ( 982 PWs) bands (ev): -39.9890 -39.9890 -17.5811 -17.5811 -15.5605 -15.5605 -15.3861 -15.3861 0.9097 0.9097 11.1705 11.1705 12.5651 12.5651 12.9127 12.9127 13.0042 13.0042 17.5625 17.5625 18.3085 18.3085 18.4356 18.4356 18.8965 18.8965 k = 0.5000-0.2887 0.4082 ( 982 PWs) bands (ev): -39.9890 -39.9890 -17.5811 -17.5811 -15.5606 -15.5606 -15.3860 -15.3860 0.9089 0.9089 11.1707 11.1707 12.5819 12.5819 12.9065 12.9065 12.9977 12.9977 17.5571 17.5571 18.3093 18.3093 18.4364 18.4364 18.8954 18.8954 Writing output data file NbN.save init_run : 0.11s CPU 0.23s WALL ( 1 calls) electrons : 30.31s CPU 31.22s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 30.30s CPU 31.22s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.01s WALL ( 442 calls) cegterg : 26.32s CPU 26.93s WALL ( 443 calls) Called by sum_band: Called by *egterg: h_psi : 13.30s CPU 13.57s WALL ( 4729 calls) s_psi : 0.46s CPU 0.48s WALL ( 4729 calls) g_psi : 0.02s CPU 0.03s WALL ( 3844 calls) cdiaghg : 13.28s CPU 13.69s WALL ( 4286 calls) cegterg:over : 0.78s CPU 0.84s WALL ( 3844 calls) cegterg:upda : 0.60s CPU 0.57s WALL ( 3844 calls) cegterg:last : 0.29s CPU 0.26s WALL ( 921 calls) cdiaghg:chol : 0.76s CPU 0.68s WALL ( 4286 calls) cdiaghg:inve : 0.28s CPU 0.28s WALL ( 4286 calls) cdiaghg:para : 0.82s CPU 0.85s WALL ( 8572 calls) Called by h_psi: h_psi:vloc : 12.11s CPU 12.41s WALL ( 4729 calls) h_psi:vnl : 1.16s CPU 1.14s WALL ( 4729 calls) add_vuspsi : 0.65s CPU 0.62s WALL ( 4729 calls) General routines calbec : 0.50s CPU 0.50s WALL ( 4729 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 11.56s CPU 11.79s WALL ( 364340 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.11s WALL ( 884 calls) Parallel routines fft_scatter : 6.30s CPU 6.48s WALL ( 364363 calls) PWSCF : 37.81s CPU 52.64s WALL This run was terminated on: 20:56:52 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=