Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:30:46 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: ./CaAu.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 73 31 9 2773 784 127 Max 74 32 10 2778 802 132 Sum 2653 1145 333 99937 28553 4585 bravais-lattice index = 14 lattice parameter (alat) = 11.1135 a.u. unit-cell volume = 677.3312 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.113499 celldm(2)= 1.000000 celldm(3)= 0.778098 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.773183 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.773183 0.634183 0.000000 ) a(3) = ( 0.000000 0.000000 0.778098 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.219179 -0.000000 ) b(2) = ( 0.000000 1.576832 -0.000000 ) b(3) = ( 0.000000 0.000000 1.285186 ) PseudoPot. # 1 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ca 10.00 40.07800 Ca( 1.00) Au 11.00 196.96660 Au( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3890488 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3890488 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 402 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 2) = ( 0.0062662 0.0175204 -0.0000000), wk = 0.0024876 k( 3) = ( 0.0125324 0.0350407 -0.0000000), wk = 0.0024876 k( 4) = ( 0.0187986 0.0525611 -0.0000000), wk = 0.0024876 k( 5) = ( 0.0250648 0.0700814 -0.0000000), wk = 0.0024876 k( 6) = ( 0.0313310 0.0876018 -0.0000000), wk = 0.0024876 k( 7) = ( 0.0375972 0.1051221 -0.0000000), wk = 0.0024876 k( 8) = ( 0.0438634 0.1226425 -0.0000000), wk = 0.0024876 k( 9) = ( 0.0501296 0.1401628 -0.0000000), wk = 0.0024876 k( 10) = ( 0.0563958 0.1576832 -0.0000000), wk = 0.0024876 k( 11) = ( 0.0626620 0.1752035 -0.0000000), wk = 0.0024876 k( 12) = ( 0.0689281 0.1927239 -0.0000000), wk = 0.0024876 k( 13) = ( 0.0751943 0.2102442 -0.0000000), wk = 0.0024876 k( 14) = ( 0.0814605 0.2277646 -0.0000000), wk = 0.0024876 k( 15) = ( 0.0877267 0.2452849 -0.0000000), wk = 0.0024876 k( 16) = ( 0.0939929 0.2628053 -0.0000000), wk = 0.0024876 k( 17) = ( 0.1002591 0.2803256 -0.0000000), wk = 0.0024876 k( 18) = ( 0.1065253 0.2978460 -0.0000000), wk = 0.0024876 k( 19) = ( 0.1127915 0.3153663 -0.0000000), wk = 0.0024876 k( 20) = ( 0.1190577 0.3328867 -0.0000000), wk = 0.0024876 k( 21) = ( 0.1253239 0.3504070 -0.0000000), wk = 0.0024876 k( 22) = ( 0.1315901 0.3679274 -0.0000000), wk = 0.0024876 k( 23) = ( 0.1378563 0.3854477 -0.0000000), wk = 0.0024876 k( 24) = ( 0.1441225 0.4029681 -0.0000000), wk = 0.0024876 k( 25) = ( 0.1503887 0.4204885 -0.0000000), wk = 0.0024876 k( 26) = ( 0.1566549 0.4380088 -0.0000000), wk = 0.0024876 k( 27) = ( 0.1629211 0.4555292 -0.0000000), wk = 0.0024876 k( 28) = ( 0.1691873 0.4730495 -0.0000000), wk = 0.0024876 k( 29) = ( 0.1754535 0.4905699 -0.0000000), wk = 0.0024876 k( 30) = ( 0.1817197 0.5080902 -0.0000000), wk = 0.0024876 k( 31) = ( 0.1879859 0.5256106 -0.0000000), wk = 0.0024876 k( 32) = ( 0.1942521 0.5431309 -0.0000000), wk = 0.0024876 k( 33) = ( 0.2005183 0.5606513 -0.0000000), wk = 0.0024876 k( 34) = ( 0.2067845 0.5781716 -0.0000000), wk = 0.0024876 k( 35) = ( 0.2130507 0.5956920 -0.0000000), wk = 0.0024876 k( 36) = ( 0.2193169 0.6132123 -0.0000000), wk = 0.0024876 k( 37) = ( 0.2255830 0.6307327 -0.0000000), wk = 0.0024876 k( 38) = ( 0.2318492 0.6482531 -0.0000000), wk = 0.0024876 k( 39) = ( 0.2381154 0.6657734 -0.0000000), wk = 0.0024876 k( 40) = ( 0.2443816 0.6832938 -0.0000000), wk = 0.0024876 k( 41) = ( 0.2506478 0.7008141 -0.0000000), wk = 0.0024876 k( 42) = ( 0.2569140 0.7183345 -0.0000000), wk = 0.0024876 k( 43) = ( 0.2631802 0.7358548 -0.0000000), wk = 0.0024876 k( 44) = ( 0.2694464 0.7533752 -0.0000000), wk = 0.0024876 k( 45) = ( 0.2757126 0.7708955 -0.0000000), wk = 0.0024876 k( 46) = ( 0.2819788 0.7884159 -0.0000000), wk = 0.0024876 k( 47) = ( 0.2819788 0.7884159 -0.0000000), wk = 0.0024876 k( 48) = ( 0.2643551 0.7884159 -0.0000000), wk = 0.0024876 k( 49) = ( 0.2467314 0.7884159 -0.0000000), wk = 0.0024876 k( 50) = ( 0.2291078 0.7884159 -0.0000000), wk = 0.0024876 k( 51) = ( 0.2114841 0.7884159 -0.0000000), wk = 0.0024876 k( 52) = ( 0.1938604 0.7884159 -0.0000000), wk = 0.0024876 k( 53) = ( 0.1762367 0.7884159 -0.0000000), wk = 0.0024876 k( 54) = ( 0.1586131 0.7884159 -0.0000000), wk = 0.0024876 k( 55) = ( 0.1409894 0.7884159 -0.0000000), wk = 0.0024876 k( 56) = ( 0.1233657 0.7884159 -0.0000000), wk = 0.0024876 k( 57) = ( 0.1057421 0.7884159 -0.0000000), wk = 0.0024876 k( 58) = ( 0.0881184 0.7884159 -0.0000000), wk = 0.0024876 k( 59) = ( 0.0704947 0.7884159 -0.0000000), wk = 0.0024876 k( 60) = ( 0.0528710 0.7884159 -0.0000000), wk = 0.0024876 k( 61) = ( 0.0352473 0.7884159 -0.0000000), wk = 0.0024876 k( 62) = ( 0.0176237 0.7884159 -0.0000000), wk = 0.0024876 k( 63) = ( 0.0000000 0.7884159 -0.0000000), wk = 0.0024876 k( 64) = ( 0.0000000 0.7884159 -0.0000000), wk = 0.0024876 k( 65) = ( 0.0000000 0.7884159 0.0183598), wk = 0.0024876 k( 66) = ( 0.0000000 0.7884159 0.0367196), wk = 0.0024876 k( 67) = ( 0.0000000 0.7884159 0.0550794), wk = 0.0024876 k( 68) = ( 0.0000000 0.7884159 0.0734392), wk = 0.0024876 k( 69) = ( 0.0000000 0.7884159 0.0917990), wk = 0.0024876 k( 70) = ( 0.0000000 0.7884159 0.1101588), wk = 0.0024876 k( 71) = ( 0.0000000 0.7884159 0.1285186), wk = 0.0024876 k( 72) = ( 0.0000000 0.7884159 0.1468784), wk = 0.0024876 k( 73) = ( 0.0000000 0.7884159 0.1652382), wk = 0.0024876 k( 74) = ( 0.0000000 0.7884159 0.1835980), wk = 0.0024876 k( 75) = ( 0.0000000 0.7884159 0.2019578), wk = 0.0024876 k( 76) = ( 0.0000000 0.7884159 0.2203176), wk = 0.0024876 k( 77) = ( 0.0000000 0.7884159 0.2386774), wk = 0.0024876 k( 78) = ( 0.0000000 0.7884159 0.2570372), wk = 0.0024876 k( 79) = ( 0.0000000 0.7884159 0.2753970), wk = 0.0024876 k( 80) = ( 0.0000000 0.7884159 0.2937568), wk = 0.0024876 k( 81) = ( 0.0000000 0.7884159 0.3121166), wk = 0.0024876 k( 82) = ( 0.0000000 0.7884159 0.3304764), wk = 0.0024876 k( 83) = ( 0.0000000 0.7884159 0.3488362), wk = 0.0024876 k( 84) = ( 0.0000000 0.7884159 0.3671960), wk = 0.0024876 k( 85) = ( 0.0000000 0.7884159 0.3855558), wk = 0.0024876 k( 86) = ( 0.0000000 0.7884159 0.4039156), wk = 0.0024876 k( 87) = ( 0.0000000 0.7884159 0.4222754), wk = 0.0024876 k( 88) = ( 0.0000000 0.7884159 0.4406352), wk = 0.0024876 k( 89) = ( 0.0000000 0.7884159 0.4589950), wk = 0.0024876 k( 90) = ( 0.0000000 0.7884159 0.4773548), wk = 0.0024876 k( 91) = ( 0.0000000 0.7884159 0.4957146), wk = 0.0024876 k( 92) = ( 0.0000000 0.7884159 0.5140744), wk = 0.0024876 k( 93) = ( 0.0000000 0.7884159 0.5324342), wk = 0.0024876 k( 94) = ( 0.0000000 0.7884159 0.5507940), wk = 0.0024876 k( 95) = ( 0.0000000 0.7884159 0.5691538), wk = 0.0024876 k( 96) = ( 0.0000000 0.7884159 0.5875136), wk = 0.0024876 k( 97) = ( 0.0000000 0.7884159 0.6058734), wk = 0.0024876 k( 98) = ( 0.0000000 0.7884159 0.6242332), wk = 0.0024876 k( 99) = ( 0.0000000 0.7884159 0.6425929), wk = 0.0024876 k( 100) = ( 0.0000000 0.7884159 0.6425929), wk = 0.0024876 k( 101) = ( 0.0176237 0.7884159 0.6425929), wk = 0.0024876 k( 102) = ( 0.0352473 0.7884159 0.6425929), wk = 0.0024876 k( 103) = ( 0.0528710 0.7884159 0.6425929), wk = 0.0024876 k( 104) = ( 0.0704947 0.7884159 0.6425929), wk = 0.0024876 k( 105) = ( 0.0881184 0.7884159 0.6425929), wk = 0.0024876 k( 106) = ( 0.1057421 0.7884159 0.6425929), wk = 0.0024876 k( 107) = ( 0.1233657 0.7884159 0.6425929), wk = 0.0024876 k( 108) = ( 0.1409894 0.7884159 0.6425929), wk = 0.0024876 k( 109) = ( 0.1586131 0.7884159 0.6425929), wk = 0.0024876 k( 110) = ( 0.1762367 0.7884159 0.6425929), wk = 0.0024876 k( 111) = ( 0.1938604 0.7884159 0.6425929), wk = 0.0024876 k( 112) = ( 0.2114841 0.7884159 0.6425929), wk = 0.0024876 k( 113) = ( 0.2291078 0.7884159 0.6425929), wk = 0.0024876 k( 114) = ( 0.2467314 0.7884159 0.6425929), wk = 0.0024876 k( 115) = ( 0.2643551 0.7884159 0.6425929), wk = 0.0024876 k( 116) = ( 0.2819788 0.7884159 0.6425929), wk = 0.0024876 k( 117) = ( 0.2819788 0.7884159 0.6425929), wk = 0.0024876 k( 118) = ( 0.2757126 0.7708955 0.6425929), wk = 0.0024876 k( 119) = ( 0.2694464 0.7533752 0.6425929), wk = 0.0024876 k( 120) = ( 0.2631802 0.7358548 0.6425929), wk = 0.0024876 k( 121) = ( 0.2569140 0.7183345 0.6425929), wk = 0.0024876 k( 122) = ( 0.2506478 0.7008141 0.6425929), wk = 0.0024876 k( 123) = ( 0.2443816 0.6832938 0.6425929), wk = 0.0024876 k( 124) = ( 0.2381154 0.6657734 0.6425929), wk = 0.0024876 k( 125) = ( 0.2318492 0.6482531 0.6425929), wk = 0.0024876 k( 126) = ( 0.2255830 0.6307327 0.6425929), wk = 0.0024876 k( 127) = ( 0.2193169 0.6132123 0.6425929), wk = 0.0024876 k( 128) = ( 0.2130507 0.5956920 0.6425929), wk = 0.0024876 k( 129) = ( 0.2067845 0.5781716 0.6425929), wk = 0.0024876 k( 130) = ( 0.2005183 0.5606513 0.6425929), wk = 0.0024876 k( 131) = ( 0.1942521 0.5431309 0.6425929), wk = 0.0024876 k( 132) = ( 0.1879859 0.5256106 0.6425929), wk = 0.0024876 k( 133) = ( 0.1817197 0.5080902 0.6425929), wk = 0.0024876 k( 134) = ( 0.1754535 0.4905699 0.6425929), wk = 0.0024876 k( 135) = ( 0.1691873 0.4730495 0.6425929), wk = 0.0024876 k( 136) = ( 0.1629211 0.4555292 0.6425929), wk = 0.0024876 k( 137) = ( 0.1566549 0.4380088 0.6425929), wk = 0.0024876 k( 138) = ( 0.1503887 0.4204885 0.6425929), wk = 0.0024876 k( 139) = ( 0.1441225 0.4029681 0.6425929), wk = 0.0024876 k( 140) = ( 0.1378563 0.3854477 0.6425929), wk = 0.0024876 k( 141) = ( 0.1315901 0.3679274 0.6425929), wk = 0.0024876 k( 142) = ( 0.1253239 0.3504070 0.6425929), wk = 0.0024876 k( 143) = ( 0.1190577 0.3328867 0.6425929), wk = 0.0024876 k( 144) = ( 0.1127915 0.3153663 0.6425929), wk = 0.0024876 k( 145) = ( 0.1065253 0.2978460 0.6425929), wk = 0.0024876 k( 146) = ( 0.1002591 0.2803256 0.6425929), wk = 0.0024876 k( 147) = ( 0.0939929 0.2628053 0.6425929), wk = 0.0024876 k( 148) = ( 0.0877267 0.2452849 0.6425929), wk = 0.0024876 k( 149) = ( 0.0814605 0.2277646 0.6425929), wk = 0.0024876 k( 150) = ( 0.0751943 0.2102442 0.6425929), wk = 0.0024876 k( 151) = ( 0.0689281 0.1927239 0.6425929), wk = 0.0024876 k( 152) = ( 0.0626620 0.1752035 0.6425929), wk = 0.0024876 k( 153) = ( 0.0563958 0.1576832 0.6425929), wk = 0.0024876 k( 154) = ( 0.0501296 0.1401628 0.6425929), wk = 0.0024876 k( 155) = ( 0.0438634 0.1226425 0.6425929), wk = 0.0024876 k( 156) = ( 0.0375972 0.1051221 0.6425929), wk = 0.0024876 k( 157) = ( 0.0313310 0.0876018 0.6425929), wk = 0.0024876 k( 158) = ( 0.0250648 0.0700814 0.6425929), wk = 0.0024876 k( 159) = ( 0.0187986 0.0525611 0.6425929), wk = 0.0024876 k( 160) = ( 0.0125324 0.0350407 0.6425929), wk = 0.0024876 k( 161) = ( 0.0062662 0.0175204 0.6425929), wk = 0.0024876 k( 162) = ( 0.0000000 0.0000000 0.6425929), wk = 0.0024876 k( 163) = ( 0.0000000 0.0000000 0.6425929), wk = 0.0024876 k( 164) = ( 0.0000000 0.0000000 0.6242332), wk = 0.0024876 k( 165) = ( 0.0000000 0.0000000 0.6058734), wk = 0.0024876 k( 166) = ( 0.0000000 0.0000000 0.5875136), wk = 0.0024876 k( 167) = ( 0.0000000 0.0000000 0.5691538), wk = 0.0024876 k( 168) = ( 0.0000000 0.0000000 0.5507940), wk = 0.0024876 k( 169) = ( 0.0000000 0.0000000 0.5324342), wk = 0.0024876 k( 170) = ( 0.0000000 0.0000000 0.5140744), wk = 0.0024876 k( 171) = ( 0.0000000 0.0000000 0.4957146), wk = 0.0024876 k( 172) = ( 0.0000000 0.0000000 0.4773548), wk = 0.0024876 k( 173) = ( 0.0000000 0.0000000 0.4589950), wk = 0.0024876 k( 174) = ( 0.0000000 0.0000000 0.4406352), wk = 0.0024876 k( 175) = ( 0.0000000 0.0000000 0.4222754), wk = 0.0024876 k( 176) = ( 0.0000000 0.0000000 0.4039156), wk = 0.0024876 k( 177) = ( 0.0000000 0.0000000 0.3855558), wk = 0.0024876 k( 178) = ( 0.0000000 0.0000000 0.3671960), wk = 0.0024876 k( 179) = ( 0.0000000 0.0000000 0.3488362), wk = 0.0024876 k( 180) = ( 0.0000000 0.0000000 0.3304764), wk = 0.0024876 k( 181) = ( 0.0000000 0.0000000 0.3121166), wk = 0.0024876 k( 182) = ( 0.0000000 0.0000000 0.2937568), wk = 0.0024876 k( 183) = ( 0.0000000 0.0000000 0.2753970), wk = 0.0024876 k( 184) = ( 0.0000000 0.0000000 0.2570372), wk = 0.0024876 k( 185) = ( 0.0000000 0.0000000 0.2386774), wk = 0.0024876 k( 186) = ( 0.0000000 0.0000000 0.2203176), wk = 0.0024876 k( 187) = ( 0.0000000 0.0000000 0.2019578), wk = 0.0024876 k( 188) = ( 0.0000000 0.0000000 0.1835980), wk = 0.0024876 k( 189) = ( 0.0000000 0.0000000 0.1652382), wk = 0.0024876 k( 190) = ( 0.0000000 0.0000000 0.1468784), wk = 0.0024876 k( 191) = ( 0.0000000 0.0000000 0.1285186), wk = 0.0024876 k( 192) = ( 0.0000000 0.0000000 0.1101588), wk = 0.0024876 k( 193) = ( 0.0000000 0.0000000 0.0917990), wk = 0.0024876 k( 194) = ( 0.0000000 0.0000000 0.0734392), wk = 0.0024876 k( 195) = ( 0.0000000 0.0000000 0.0550794), wk = 0.0024876 k( 196) = ( 0.0000000 0.0000000 0.0367196), wk = 0.0024876 k( 197) = ( 0.0000000 0.0000000 0.0183598), wk = 0.0024876 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 199) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 200) = ( -0.0172414 0.0061664 0.0000000), wk = 0.0024876 k( 201) = ( -0.0344828 0.0123328 0.0000000), wk = 0.0024876 k( 202) = ( -0.0517241 0.0184993 0.0000000), wk = 0.0024876 k( 203) = ( -0.0689655 0.0246657 0.0000000), wk = 0.0024876 k( 204) = ( -0.0862069 0.0308321 0.0000000), wk = 0.0024876 k( 205) = ( -0.1034483 0.0369985 0.0000000), wk = 0.0024876 k( 206) = ( -0.1206897 0.0431649 0.0000000), wk = 0.0024876 k( 207) = ( -0.1379310 0.0493314 0.0000000), wk = 0.0024876 k( 208) = ( -0.1551724 0.0554978 0.0000000), wk = 0.0024876 k( 209) = ( -0.1724138 0.0616642 0.0000000), wk = 0.0024876 k( 210) = ( -0.1896552 0.0678306 0.0000000), wk = 0.0024876 k( 211) = ( -0.2068966 0.0739970 0.0000000), wk = 0.0024876 k( 212) = ( -0.2241379 0.0801635 0.0000000), wk = 0.0024876 k( 213) = ( -0.2413793 0.0863299 0.0000000), wk = 0.0024876 k( 214) = ( -0.2586207 0.0924963 0.0000000), wk = 0.0024876 k( 215) = ( -0.2758621 0.0986627 0.0000000), wk = 0.0024876 k( 216) = ( -0.2931034 0.1048291 0.0000000), wk = 0.0024876 k( 217) = ( -0.3103448 0.1109956 0.0000000), wk = 0.0024876 k( 218) = ( -0.3275862 0.1171620 0.0000000), wk = 0.0024876 k( 219) = ( -0.3448276 0.1233284 0.0000000), wk = 0.0024876 k( 220) = ( -0.3620690 0.1294948 0.0000000), wk = 0.0024876 k( 221) = ( -0.3793103 0.1356612 0.0000000), wk = 0.0024876 k( 222) = ( -0.3965517 0.1418277 0.0000000), wk = 0.0024876 k( 223) = ( -0.4137931 0.1479941 0.0000000), wk = 0.0024876 k( 224) = ( -0.4310345 0.1541605 0.0000000), wk = 0.0024876 k( 225) = ( -0.4482759 0.1603269 0.0000000), wk = 0.0024876 k( 226) = ( -0.4655172 0.1664933 0.0000000), wk = 0.0024876 k( 227) = ( -0.4827586 0.1726598 0.0000000), wk = 0.0024876 k( 228) = ( -0.5000000 0.1788262 0.0000000), wk = 0.0024876 k( 229) = ( -0.5000000 0.1788262 0.0000000), wk = 0.0024876 k( 230) = ( -0.4937708 0.1962430 -0.0000000), wk = 0.0024876 k( 231) = ( -0.4875416 0.2136599 -0.0000000), wk = 0.0024876 k( 232) = ( -0.4813125 0.2310767 -0.0000000), wk = 0.0024876 k( 233) = ( -0.4750833 0.2484936 -0.0000000), wk = 0.0024876 k( 234) = ( -0.4688541 0.2659104 -0.0000000), wk = 0.0024876 k( 235) = ( -0.4626249 0.2833273 -0.0000000), wk = 0.0024876 k( 236) = ( -0.4563958 0.3007441 -0.0000000), wk = 0.0024876 k( 237) = ( -0.4501666 0.3181610 -0.0000000), wk = 0.0024876 k( 238) = ( -0.4439374 0.3355778 -0.0000000), wk = 0.0024876 k( 239) = ( -0.4377082 0.3529947 -0.0000000), wk = 0.0024876 k( 240) = ( -0.4314790 0.3704115 -0.0000000), wk = 0.0024876 k( 241) = ( -0.4252499 0.3878284 -0.0000000), wk = 0.0024876 k( 242) = ( -0.4190207 0.4052452 -0.0000000), wk = 0.0024876 k( 243) = ( -0.4127915 0.4226621 -0.0000000), wk = 0.0024876 k( 244) = ( -0.4065623 0.4400789 -0.0000000), wk = 0.0024876 k( 245) = ( -0.4003332 0.4574957 -0.0000000), wk = 0.0024876 k( 246) = ( -0.3941040 0.4749126 -0.0000000), wk = 0.0024876 k( 247) = ( -0.3878748 0.4923295 -0.0000000), wk = 0.0024876 k( 248) = ( -0.3816456 0.5097463 -0.0000000), wk = 0.0024876 k( 249) = ( -0.3754165 0.5271631 -0.0000000), wk = 0.0024876 k( 250) = ( -0.3691873 0.5445800 -0.0000000), wk = 0.0024876 k( 251) = ( -0.3629581 0.5619968 -0.0000000), wk = 0.0024876 k( 252) = ( -0.3567289 0.5794137 -0.0000000), wk = 0.0024876 k( 253) = ( -0.3504997 0.5968305 -0.0000000), wk = 0.0024876 k( 254) = ( -0.3442706 0.6142474 -0.0000000), wk = 0.0024876 k( 255) = ( -0.3380414 0.6316642 -0.0000000), wk = 0.0024876 k( 256) = ( -0.3318122 0.6490811 -0.0000000), wk = 0.0024876 k( 257) = ( -0.3255830 0.6664979 -0.0000000), wk = 0.0024876 k( 258) = ( -0.3193539 0.6839148 -0.0000000), wk = 0.0024876 k( 259) = ( -0.3131247 0.7013316 -0.0000000), wk = 0.0024876 k( 260) = ( -0.3068955 0.7187485 -0.0000000), wk = 0.0024876 k( 261) = ( -0.3006663 0.7361653 -0.0000000), wk = 0.0024876 k( 262) = ( -0.2944372 0.7535822 -0.0000000), wk = 0.0024876 k( 263) = ( -0.2882080 0.7709990 -0.0000000), wk = 0.0024876 k( 264) = ( -0.2819788 0.7884159 -0.0000000), wk = 0.0024876 k( 265) = ( -0.2819788 0.7884159 -0.0000000), wk = 0.0024876 k( 266) = ( -0.2819788 0.7884159 0.0183598), wk = 0.0024876 k( 267) = ( -0.2819788 0.7884159 0.0367196), wk = 0.0024876 k( 268) = ( -0.2819788 0.7884159 0.0550794), wk = 0.0024876 k( 269) = ( -0.2819788 0.7884159 0.0734392), wk = 0.0024876 k( 270) = ( -0.2819788 0.7884159 0.0917990), wk = 0.0024876 k( 271) = ( -0.2819788 0.7884159 0.1101588), wk = 0.0024876 k( 272) = ( -0.2819788 0.7884159 0.1285186), wk = 0.0024876 k( 273) = ( -0.2819788 0.7884159 0.1468784), wk = 0.0024876 k( 274) = ( -0.2819788 0.7884159 0.1652382), wk = 0.0024876 k( 275) = ( -0.2819788 0.7884159 0.1835980), wk = 0.0024876 k( 276) = ( -0.2819788 0.7884159 0.2019578), wk = 0.0024876 k( 277) = ( -0.2819788 0.7884159 0.2203176), wk = 0.0024876 k( 278) = ( -0.2819788 0.7884159 0.2386774), wk = 0.0024876 k( 279) = ( -0.2819788 0.7884159 0.2570372), wk = 0.0024876 k( 280) = ( -0.2819788 0.7884159 0.2753970), wk = 0.0024876 k( 281) = ( -0.2819788 0.7884159 0.2937568), wk = 0.0024876 k( 282) = ( -0.2819788 0.7884159 0.3121166), wk = 0.0024876 k( 283) = ( -0.2819788 0.7884159 0.3304764), wk = 0.0024876 k( 284) = ( -0.2819788 0.7884159 0.3488362), wk = 0.0024876 k( 285) = ( -0.2819788 0.7884159 0.3671960), wk = 0.0024876 k( 286) = ( -0.2819788 0.7884159 0.3855558), wk = 0.0024876 k( 287) = ( -0.2819788 0.7884159 0.4039156), wk = 0.0024876 k( 288) = ( -0.2819788 0.7884159 0.4222754), wk = 0.0024876 k( 289) = ( -0.2819788 0.7884159 0.4406352), wk = 0.0024876 k( 290) = ( -0.2819788 0.7884159 0.4589950), wk = 0.0024876 k( 291) = ( -0.2819788 0.7884159 0.4773548), wk = 0.0024876 k( 292) = ( -0.2819788 0.7884159 0.4957146), wk = 0.0024876 k( 293) = ( -0.2819788 0.7884159 0.5140744), wk = 0.0024876 k( 294) = ( -0.2819788 0.7884159 0.5324342), wk = 0.0024876 k( 295) = ( -0.2819788 0.7884159 0.5507940), wk = 0.0024876 k( 296) = ( -0.2819788 0.7884159 0.5691538), wk = 0.0024876 k( 297) = ( -0.2819788 0.7884159 0.5875136), wk = 0.0024876 k( 298) = ( -0.2819788 0.7884159 0.6058734), wk = 0.0024876 k( 299) = ( -0.2819788 0.7884159 0.6242332), wk = 0.0024876 k( 300) = ( -0.2819788 0.7884159 0.6425929), wk = 0.0024876 k( 301) = ( -0.2819788 0.7884159 0.6425929), wk = 0.0024876 k( 302) = ( -0.2882080 0.7709990 0.6425929), wk = 0.0024876 k( 303) = ( -0.2944372 0.7535822 0.6425929), wk = 0.0024876 k( 304) = ( -0.3006663 0.7361653 0.6425929), wk = 0.0024876 k( 305) = ( -0.3068955 0.7187485 0.6425929), wk = 0.0024876 k( 306) = ( -0.3131247 0.7013316 0.6425929), wk = 0.0024876 k( 307) = ( -0.3193539 0.6839148 0.6425929), wk = 0.0024876 k( 308) = ( -0.3255830 0.6664979 0.6425929), wk = 0.0024876 k( 309) = ( -0.3318122 0.6490811 0.6425929), wk = 0.0024876 k( 310) = ( -0.3380414 0.6316642 0.6425929), wk = 0.0024876 k( 311) = ( -0.3442706 0.6142474 0.6425929), wk = 0.0024876 k( 312) = ( -0.3504997 0.5968305 0.6425929), wk = 0.0024876 k( 313) = ( -0.3567289 0.5794137 0.6425929), wk = 0.0024876 k( 314) = ( -0.3629581 0.5619968 0.6425929), wk = 0.0024876 k( 315) = ( -0.3691873 0.5445800 0.6425929), wk = 0.0024876 k( 316) = ( -0.3754165 0.5271631 0.6425929), wk = 0.0024876 k( 317) = ( -0.3816456 0.5097463 0.6425929), wk = 0.0024876 k( 318) = ( -0.3878748 0.4923295 0.6425929), wk = 0.0024876 k( 319) = ( -0.3941040 0.4749126 0.6425929), wk = 0.0024876 k( 320) = ( -0.4003332 0.4574957 0.6425929), wk = 0.0024876 k( 321) = ( -0.4065623 0.4400789 0.6425929), wk = 0.0024876 k( 322) = ( -0.4127915 0.4226621 0.6425929), wk = 0.0024876 k( 323) = ( -0.4190207 0.4052452 0.6425929), wk = 0.0024876 k( 324) = ( -0.4252499 0.3878284 0.6425929), wk = 0.0024876 k( 325) = ( -0.4314790 0.3704115 0.6425929), wk = 0.0024876 k( 326) = ( -0.4377082 0.3529947 0.6425929), wk = 0.0024876 k( 327) = ( -0.4439374 0.3355778 0.6425929), wk = 0.0024876 k( 328) = ( -0.4501666 0.3181610 0.6425929), wk = 0.0024876 k( 329) = ( -0.4563958 0.3007441 0.6425929), wk = 0.0024876 k( 330) = ( -0.4626249 0.2833273 0.6425929), wk = 0.0024876 k( 331) = ( -0.4688541 0.2659104 0.6425929), wk = 0.0024876 k( 332) = ( -0.4750833 0.2484936 0.6425929), wk = 0.0024876 k( 333) = ( -0.4813125 0.2310767 0.6425929), wk = 0.0024876 k( 334) = ( -0.4875416 0.2136599 0.6425929), wk = 0.0024876 k( 335) = ( -0.4937708 0.1962430 0.6425929), wk = 0.0024876 k( 336) = ( -0.5000000 0.1788262 0.6425929), wk = 0.0024876 k( 337) = ( -0.5000000 0.1788262 0.6425929), wk = 0.0024876 k( 338) = ( -0.5000000 0.1788262 0.6242332), wk = 0.0024876 k( 339) = ( -0.5000000 0.1788262 0.6058734), wk = 0.0024876 k( 340) = ( -0.5000000 0.1788262 0.5875136), wk = 0.0024876 k( 341) = ( -0.5000000 0.1788262 0.5691538), wk = 0.0024876 k( 342) = ( -0.5000000 0.1788262 0.5507940), wk = 0.0024876 k( 343) = ( -0.5000000 0.1788262 0.5324342), wk = 0.0024876 k( 344) = ( -0.5000000 0.1788262 0.5140744), wk = 0.0024876 k( 345) = ( -0.5000000 0.1788262 0.4957146), wk = 0.0024876 k( 346) = ( -0.5000000 0.1788262 0.4773548), wk = 0.0024876 k( 347) = ( -0.5000000 0.1788262 0.4589950), wk = 0.0024876 k( 348) = ( -0.5000000 0.1788262 0.4406352), wk = 0.0024876 k( 349) = ( -0.5000000 0.1788262 0.4222754), wk = 0.0024876 k( 350) = ( -0.5000000 0.1788262 0.4039156), wk = 0.0024876 k( 351) = ( -0.5000000 0.1788262 0.3855558), wk = 0.0024876 k( 352) = ( -0.5000000 0.1788262 0.3671960), wk = 0.0024876 k( 353) = ( -0.5000000 0.1788262 0.3488362), wk = 0.0024876 k( 354) = ( -0.5000000 0.1788262 0.3304764), wk = 0.0024876 k( 355) = ( -0.5000000 0.1788262 0.3121166), wk = 0.0024876 k( 356) = ( -0.5000000 0.1788262 0.2937568), wk = 0.0024876 k( 357) = ( -0.5000000 0.1788262 0.2753970), wk = 0.0024876 k( 358) = ( -0.5000000 0.1788262 0.2570372), wk = 0.0024876 k( 359) = ( -0.5000000 0.1788262 0.2386774), wk = 0.0024876 k( 360) = ( -0.5000000 0.1788262 0.2203176), wk = 0.0024876 k( 361) = ( -0.5000000 0.1788262 0.2019578), wk = 0.0024876 k( 362) = ( -0.5000000 0.1788262 0.1835980), wk = 0.0024876 k( 363) = ( -0.5000000 0.1788262 0.1652382), wk = 0.0024876 k( 364) = ( -0.5000000 0.1788262 0.1468784), wk = 0.0024876 k( 365) = ( -0.5000000 0.1788262 0.1285186), wk = 0.0024876 k( 366) = ( -0.5000000 0.1788262 0.1101588), wk = 0.0024876 k( 367) = ( -0.5000000 0.1788262 0.0917990), wk = 0.0024876 k( 368) = ( -0.5000000 0.1788262 0.0734392), wk = 0.0024876 k( 369) = ( -0.5000000 0.1788262 0.0550794), wk = 0.0024876 k( 370) = ( -0.5000000 0.1788262 0.0367196), wk = 0.0024876 k( 371) = ( -0.5000000 0.1788262 0.0183598), wk = 0.0024876 k( 372) = ( -0.5000000 0.1788262 0.0000000), wk = 0.0024876 k( 373) = ( 0.0000000 0.0000000 0.6425929), wk = 0.0024876 k( 374) = ( -0.0172414 0.0061664 0.6425929), wk = 0.0024876 k( 375) = ( -0.0344828 0.0123328 0.6425929), wk = 0.0024876 k( 376) = ( -0.0517241 0.0184993 0.6425929), wk = 0.0024876 k( 377) = ( -0.0689655 0.0246657 0.6425929), wk = 0.0024876 k( 378) = ( -0.0862069 0.0308321 0.6425929), wk = 0.0024876 k( 379) = ( -0.1034483 0.0369985 0.6425929), wk = 0.0024876 k( 380) = ( -0.1206897 0.0431649 0.6425929), wk = 0.0024876 k( 381) = ( -0.1379310 0.0493314 0.6425929), wk = 0.0024876 k( 382) = ( -0.1551724 0.0554978 0.6425929), wk = 0.0024876 k( 383) = ( -0.1724138 0.0616642 0.6425929), wk = 0.0024876 k( 384) = ( -0.1896552 0.0678306 0.6425929), wk = 0.0024876 k( 385) = ( -0.2068966 0.0739970 0.6425929), wk = 0.0024876 k( 386) = ( -0.2241379 0.0801635 0.6425929), wk = 0.0024876 k( 387) = ( -0.2413793 0.0863299 0.6425929), wk = 0.0024876 k( 388) = ( -0.2586207 0.0924963 0.6425929), wk = 0.0024876 k( 389) = ( -0.2758621 0.0986627 0.6425929), wk = 0.0024876 k( 390) = ( -0.2931034 0.1048291 0.6425929), wk = 0.0024876 k( 391) = ( -0.3103448 0.1109956 0.6425929), wk = 0.0024876 k( 392) = ( -0.3275862 0.1171620 0.6425929), wk = 0.0024876 k( 393) = ( -0.3448276 0.1233284 0.6425929), wk = 0.0024876 k( 394) = ( -0.3620690 0.1294948 0.6425929), wk = 0.0024876 k( 395) = ( -0.3793103 0.1356612 0.6425929), wk = 0.0024876 k( 396) = ( -0.3965517 0.1418277 0.6425929), wk = 0.0024876 k( 397) = ( -0.4137931 0.1479941 0.6425929), wk = 0.0024876 k( 398) = ( -0.4310345 0.1541605 0.6425929), wk = 0.0024876 k( 399) = ( -0.4482759 0.1603269 0.6425929), wk = 0.0024876 k( 400) = ( -0.4655172 0.1664933 0.6425929), wk = 0.0024876 k( 401) = ( -0.4827586 0.1726598 0.6425929), wk = 0.0024876 k( 402) = ( -0.5000000 0.1788262 0.6425929), wk = 0.0024876 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 2) = ( 0.0062662 0.0062662 0.0000000), wk = 0.0024876 k( 3) = ( 0.0125324 0.0125324 0.0000000), wk = 0.0024876 k( 4) = ( 0.0187986 0.0187986 -0.0000000), wk = 0.0024876 k( 5) = ( 0.0250648 0.0250648 0.0000000), wk = 0.0024876 k( 6) = ( 0.0313310 0.0313310 -0.0000000), wk = 0.0024876 k( 7) = ( 0.0375972 0.0375972 -0.0000000), wk = 0.0024876 k( 8) = ( 0.0438634 0.0438634 0.0000000), wk = 0.0024876 k( 9) = ( 0.0501296 0.0501296 0.0000000), wk = 0.0024876 k( 10) = ( 0.0563958 0.0563958 -0.0000000), wk = 0.0024876 k( 11) = ( 0.0626620 0.0626620 -0.0000000), wk = 0.0024876 k( 12) = ( 0.0689281 0.0689282 0.0000000), wk = 0.0024876 k( 13) = ( 0.0751943 0.0751944 0.0000000), wk = 0.0024876 k( 14) = ( 0.0814605 0.0814605 -0.0000000), wk = 0.0024876 k( 15) = ( 0.0877267 0.0877267 0.0000000), wk = 0.0024876 k( 16) = ( 0.0939929 0.0939929 0.0000000), wk = 0.0024876 k( 17) = ( 0.1002591 0.1002591 0.0000000), wk = 0.0024876 k( 18) = ( 0.1065253 0.1065253 -0.0000000), wk = 0.0024876 k( 19) = ( 0.1127915 0.1127915 -0.0000000), wk = 0.0024876 k( 20) = ( 0.1190577 0.1190577 -0.0000000), wk = 0.0024876 k( 21) = ( 0.1253239 0.1253239 -0.0000000), wk = 0.0024876 k( 22) = ( 0.1315901 0.1315901 -0.0000000), wk = 0.0024876 k( 23) = ( 0.1378563 0.1378563 0.0000000), wk = 0.0024876 k( 24) = ( 0.1441225 0.1441225 0.0000000), wk = 0.0024876 k( 25) = ( 0.1503887 0.1503887 0.0000000), wk = 0.0024876 k( 26) = ( 0.1566549 0.1566549 0.0000000), wk = 0.0024876 k( 27) = ( 0.1629211 0.1629211 0.0000000), wk = 0.0024876 k( 28) = ( 0.1691873 0.1691873 0.0000000), wk = 0.0024876 k( 29) = ( 0.1754535 0.1754535 0.0000000), wk = 0.0024876 k( 30) = ( 0.1817197 0.1817197 0.0000000), wk = 0.0024876 k( 31) = ( 0.1879859 0.1879859 -0.0000000), wk = 0.0024876 k( 32) = ( 0.1942521 0.1942521 0.0000000), wk = 0.0024876 k( 33) = ( 0.2005183 0.2005183 0.0000000), wk = 0.0024876 k( 34) = ( 0.2067845 0.2067845 0.0000000), wk = 0.0024876 k( 35) = ( 0.2130507 0.2130507 0.0000000), wk = 0.0024876 k( 36) = ( 0.2193169 0.2193169 0.0000000), wk = 0.0024876 k( 37) = ( 0.2255830 0.2255830 -0.0000000), wk = 0.0024876 k( 38) = ( 0.2318492 0.2318492 -0.0000000), wk = 0.0024876 k( 39) = ( 0.2381154 0.2381154 0.0000000), wk = 0.0024876 k( 40) = ( 0.2443816 0.2443816 0.0000000), wk = 0.0024876 k( 41) = ( 0.2506478 0.2506478 0.0000000), wk = 0.0024876 k( 42) = ( 0.2569140 0.2569140 0.0000000), wk = 0.0024876 k( 43) = ( 0.2631802 0.2631802 -0.0000000), wk = 0.0024876 k( 44) = ( 0.2694464 0.2694464 -0.0000000), wk = 0.0024876 k( 45) = ( 0.2757126 0.2757126 0.0000000), wk = 0.0024876 k( 46) = ( 0.2819788 0.2819788 -0.0000000), wk = 0.0024876 k( 47) = ( 0.2819788 0.2819788 -0.0000000), wk = 0.0024876 k( 48) = ( 0.2643551 0.2956051 0.0000000), wk = 0.0024876 k( 49) = ( 0.2467314 0.3092315 0.0000000), wk = 0.0024876 k( 50) = ( 0.2291078 0.3228578 0.0000000), wk = 0.0024876 k( 51) = ( 0.2114841 0.3364841 -0.0000000), wk = 0.0024876 k( 52) = ( 0.1938604 0.3501104 -0.0000000), wk = 0.0024876 k( 53) = ( 0.1762367 0.3637367 -0.0000000), wk = 0.0024876 k( 54) = ( 0.1586131 0.3773631 0.0000000), wk = 0.0024876 k( 55) = ( 0.1409894 0.3909894 0.0000000), wk = 0.0024876 k( 56) = ( 0.1233657 0.4046157 -0.0000000), wk = 0.0024876 k( 57) = ( 0.1057421 0.4182421 -0.0000000), wk = 0.0024876 k( 58) = ( 0.0881184 0.4318684 -0.0000000), wk = 0.0024876 k( 59) = ( 0.0704947 0.4454947 0.0000000), wk = 0.0024876 k( 60) = ( 0.0528710 0.4591210 -0.0000000), wk = 0.0024876 k( 61) = ( 0.0352473 0.4727474 -0.0000000), wk = 0.0024876 k( 62) = ( 0.0176237 0.4863737 0.0000000), wk = 0.0024876 k( 63) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024876 k( 64) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024876 k( 65) = ( 0.0000000 0.5000000 0.0142857), wk = 0.0024876 k( 66) = ( 0.0000000 0.5000000 0.0285714), wk = 0.0024876 k( 67) = ( 0.0000000 0.5000000 0.0428571), wk = 0.0024876 k( 68) = ( 0.0000000 0.5000000 0.0571429), wk = 0.0024876 k( 69) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0024876 k( 70) = ( 0.0000000 0.5000000 0.0857143), wk = 0.0024876 k( 71) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0024876 k( 72) = ( 0.0000000 0.5000000 0.1142857), wk = 0.0024876 k( 73) = ( 0.0000000 0.5000000 0.1285714), wk = 0.0024876 k( 74) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0024876 k( 75) = ( 0.0000000 0.5000000 0.1571429), wk = 0.0024876 k( 76) = ( 0.0000000 0.5000000 0.1714286), wk = 0.0024876 k( 77) = ( 0.0000000 0.5000000 0.1857143), wk = 0.0024876 k( 78) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0024876 k( 79) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0024876 k( 80) = ( 0.0000000 0.5000000 0.2285714), wk = 0.0024876 k( 81) = ( 0.0000000 0.5000000 0.2428571), wk = 0.0024876 k( 82) = ( 0.0000000 0.5000000 0.2571429), wk = 0.0024876 k( 83) = ( 0.0000000 0.5000000 0.2714286), wk = 0.0024876 k( 84) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0024876 k( 85) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0024876 k( 86) = ( 0.0000000 0.5000000 0.3142857), wk = 0.0024876 k( 87) = ( 0.0000000 0.5000000 0.3285714), wk = 0.0024876 k( 88) = ( 0.0000000 0.5000000 0.3428571), wk = 0.0024876 k( 89) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0024876 k( 90) = ( 0.0000000 0.5000000 0.3714286), wk = 0.0024876 k( 91) = ( 0.0000000 0.5000000 0.3857143), wk = 0.0024876 k( 92) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0024876 k( 93) = ( 0.0000000 0.5000000 0.4142857), wk = 0.0024876 k( 94) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0024876 k( 95) = ( 0.0000000 0.5000000 0.4428571), wk = 0.0024876 k( 96) = ( 0.0000000 0.5000000 0.4571429), wk = 0.0024876 k( 97) = ( 0.0000000 0.5000000 0.4714286), wk = 0.0024876 k( 98) = ( 0.0000000 0.5000000 0.4857143), wk = 0.0024876 k( 99) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024876 k( 100) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024876 k( 101) = ( 0.0176237 0.4863737 0.5000000), wk = 0.0024876 k( 102) = ( 0.0352473 0.4727474 0.5000000), wk = 0.0024876 k( 103) = ( 0.0528710 0.4591210 0.5000000), wk = 0.0024876 k( 104) = ( 0.0704947 0.4454947 0.5000000), wk = 0.0024876 k( 105) = ( 0.0881184 0.4318684 0.5000000), wk = 0.0024876 k( 106) = ( 0.1057421 0.4182421 0.5000000), wk = 0.0024876 k( 107) = ( 0.1233657 0.4046157 0.5000000), wk = 0.0024876 k( 108) = ( 0.1409894 0.3909894 0.5000000), wk = 0.0024876 k( 109) = ( 0.1586131 0.3773631 0.5000000), wk = 0.0024876 k( 110) = ( 0.1762367 0.3637367 0.5000000), wk = 0.0024876 k( 111) = ( 0.1938604 0.3501104 0.5000000), wk = 0.0024876 k( 112) = ( 0.2114841 0.3364841 0.5000000), wk = 0.0024876 k( 113) = ( 0.2291078 0.3228578 0.5000000), wk = 0.0024876 k( 114) = ( 0.2467314 0.3092315 0.5000000), wk = 0.0024876 k( 115) = ( 0.2643551 0.2956051 0.5000000), wk = 0.0024876 k( 116) = ( 0.2819788 0.2819788 0.5000000), wk = 0.0024876 k( 117) = ( 0.2819788 0.2819788 0.5000000), wk = 0.0024876 k( 118) = ( 0.2757126 0.2757126 0.5000000), wk = 0.0024876 k( 119) = ( 0.2694464 0.2694464 0.5000000), wk = 0.0024876 k( 120) = ( 0.2631802 0.2631802 0.5000000), wk = 0.0024876 k( 121) = ( 0.2569140 0.2569140 0.5000000), wk = 0.0024876 k( 122) = ( 0.2506478 0.2506478 0.5000000), wk = 0.0024876 k( 123) = ( 0.2443816 0.2443816 0.5000000), wk = 0.0024876 k( 124) = ( 0.2381154 0.2381154 0.5000000), wk = 0.0024876 k( 125) = ( 0.2318492 0.2318492 0.5000000), wk = 0.0024876 k( 126) = ( 0.2255830 0.2255830 0.5000000), wk = 0.0024876 k( 127) = ( 0.2193169 0.2193169 0.5000000), wk = 0.0024876 k( 128) = ( 0.2130507 0.2130507 0.5000000), wk = 0.0024876 k( 129) = ( 0.2067845 0.2067845 0.5000000), wk = 0.0024876 k( 130) = ( 0.2005183 0.2005183 0.5000000), wk = 0.0024876 k( 131) = ( 0.1942521 0.1942521 0.5000000), wk = 0.0024876 k( 132) = ( 0.1879859 0.1879859 0.5000000), wk = 0.0024876 k( 133) = ( 0.1817197 0.1817197 0.5000000), wk = 0.0024876 k( 134) = ( 0.1754535 0.1754535 0.5000000), wk = 0.0024876 k( 135) = ( 0.1691873 0.1691873 0.5000000), wk = 0.0024876 k( 136) = ( 0.1629211 0.1629211 0.5000000), wk = 0.0024876 k( 137) = ( 0.1566549 0.1566549 0.5000000), wk = 0.0024876 k( 138) = ( 0.1503887 0.1503887 0.5000000), wk = 0.0024876 k( 139) = ( 0.1441225 0.1441225 0.5000000), wk = 0.0024876 k( 140) = ( 0.1378563 0.1378563 0.5000000), wk = 0.0024876 k( 141) = ( 0.1315901 0.1315901 0.5000000), wk = 0.0024876 k( 142) = ( 0.1253239 0.1253239 0.5000000), wk = 0.0024876 k( 143) = ( 0.1190577 0.1190577 0.5000000), wk = 0.0024876 k( 144) = ( 0.1127915 0.1127915 0.5000000), wk = 0.0024876 k( 145) = ( 0.1065253 0.1065253 0.5000000), wk = 0.0024876 k( 146) = ( 0.1002591 0.1002591 0.5000000), wk = 0.0024876 k( 147) = ( 0.0939929 0.0939929 0.5000000), wk = 0.0024876 k( 148) = ( 0.0877267 0.0877267 0.5000000), wk = 0.0024876 k( 149) = ( 0.0814605 0.0814605 0.5000000), wk = 0.0024876 k( 150) = ( 0.0751943 0.0751944 0.5000000), wk = 0.0024876 k( 151) = ( 0.0689281 0.0689282 0.5000000), wk = 0.0024876 k( 152) = ( 0.0626620 0.0626620 0.5000000), wk = 0.0024876 k( 153) = ( 0.0563958 0.0563958 0.5000000), wk = 0.0024876 k( 154) = ( 0.0501296 0.0501296 0.5000000), wk = 0.0024876 k( 155) = ( 0.0438634 0.0438634 0.5000000), wk = 0.0024876 k( 156) = ( 0.0375972 0.0375972 0.5000000), wk = 0.0024876 k( 157) = ( 0.0313310 0.0313310 0.5000000), wk = 0.0024876 k( 158) = ( 0.0250648 0.0250648 0.5000000), wk = 0.0024876 k( 159) = ( 0.0187986 0.0187986 0.5000000), wk = 0.0024876 k( 160) = ( 0.0125324 0.0125324 0.5000000), wk = 0.0024876 k( 161) = ( 0.0062662 0.0062662 0.5000000), wk = 0.0024876 k( 162) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 164) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0024876 k( 165) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0024876 k( 166) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0024876 k( 167) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0024876 k( 168) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0024876 k( 169) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0024876 k( 170) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0024876 k( 171) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0024876 k( 172) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0024876 k( 173) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0024876 k( 174) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0024876 k( 175) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0024876 k( 176) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0024876 k( 177) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0024876 k( 178) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0024876 k( 179) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0024876 k( 180) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0024876 k( 181) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0024876 k( 182) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0024876 k( 183) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0024876 k( 184) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0024876 k( 185) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0024876 k( 186) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0024876 k( 187) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0024876 k( 188) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0024876 k( 189) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0024876 k( 190) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0024876 k( 191) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0024876 k( 192) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0024876 k( 193) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0024876 k( 194) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0024876 k( 195) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0024876 k( 196) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0024876 k( 197) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0024876 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 199) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 200) = ( -0.0172414 0.0172414 -0.0000000), wk = 0.0024876 k( 201) = ( -0.0344828 0.0344828 -0.0000000), wk = 0.0024876 k( 202) = ( -0.0517241 0.0517241 0.0000000), wk = 0.0024876 k( 203) = ( -0.0689655 0.0689655 -0.0000000), wk = 0.0024876 k( 204) = ( -0.0862069 0.0862069 0.0000000), wk = 0.0024876 k( 205) = ( -0.1034483 0.1034483 0.0000000), wk = 0.0024876 k( 206) = ( -0.1206897 0.1206897 -0.0000000), wk = 0.0024876 k( 207) = ( -0.1379310 0.1379310 0.0000000), wk = 0.0024876 k( 208) = ( -0.1551724 0.1551724 0.0000000), wk = 0.0024876 k( 209) = ( -0.1724138 0.1724138 0.0000000), wk = 0.0024876 k( 210) = ( -0.1896552 0.1896552 0.0000000), wk = 0.0024876 k( 211) = ( -0.2068966 0.2068966 0.0000000), wk = 0.0024876 k( 212) = ( -0.2241379 0.2241379 0.0000000), wk = 0.0024876 k( 213) = ( -0.2413793 0.2413793 -0.0000000), wk = 0.0024876 k( 214) = ( -0.2586207 0.2586207 0.0000000), wk = 0.0024876 k( 215) = ( -0.2758621 0.2758621 -0.0000000), wk = 0.0024876 k( 216) = ( -0.2931034 0.2931034 -0.0000000), wk = 0.0024876 k( 217) = ( -0.3103448 0.3103448 0.0000000), wk = 0.0024876 k( 218) = ( -0.3275862 0.3275862 -0.0000000), wk = 0.0024876 k( 219) = ( -0.3448276 0.3448276 0.0000000), wk = 0.0024876 k( 220) = ( -0.3620690 0.3620690 0.0000000), wk = 0.0024876 k( 221) = ( -0.3793103 0.3793103 0.0000000), wk = 0.0024876 k( 222) = ( -0.3965517 0.3965517 -0.0000000), wk = 0.0024876 k( 223) = ( -0.4137931 0.4137931 0.0000000), wk = 0.0024876 k( 224) = ( -0.4310345 0.4310345 -0.0000000), wk = 0.0024876 k( 225) = ( -0.4482759 0.4482759 0.0000000), wk = 0.0024876 k( 226) = ( -0.4655172 0.4655172 0.0000000), wk = 0.0024876 k( 227) = ( -0.4827586 0.4827586 -0.0000000), wk = 0.0024876 k( 228) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024876 k( 229) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024876 k( 230) = ( -0.4937708 0.5062292 -0.0000000), wk = 0.0024876 k( 231) = ( -0.4875416 0.5124583 -0.0000000), wk = 0.0024876 k( 232) = ( -0.4813125 0.5186875 0.0000000), wk = 0.0024876 k( 233) = ( -0.4750833 0.5249167 0.0000000), wk = 0.0024876 k( 234) = ( -0.4688541 0.5311459 0.0000000), wk = 0.0024876 k( 235) = ( -0.4626249 0.5373751 0.0000000), wk = 0.0024876 k( 236) = ( -0.4563958 0.5436042 0.0000000), wk = 0.0024876 k( 237) = ( -0.4501666 0.5498334 0.0000000), wk = 0.0024876 k( 238) = ( -0.4439374 0.5560626 0.0000000), wk = 0.0024876 k( 239) = ( -0.4377082 0.5622918 -0.0000000), wk = 0.0024876 k( 240) = ( -0.4314790 0.5685210 -0.0000000), wk = 0.0024876 k( 241) = ( -0.4252499 0.5747501 0.0000000), wk = 0.0024876 k( 242) = ( -0.4190207 0.5809793 0.0000000), wk = 0.0024876 k( 243) = ( -0.4127915 0.5872085 -0.0000000), wk = 0.0024876 k( 244) = ( -0.4065623 0.5934377 0.0000000), wk = 0.0024876 k( 245) = ( -0.4003332 0.5996668 0.0000000), wk = 0.0024876 k( 246) = ( -0.3941040 0.6058960 0.0000000), wk = 0.0024876 k( 247) = ( -0.3878748 0.6121252 0.0000000), wk = 0.0024876 k( 248) = ( -0.3816456 0.6183544 0.0000000), wk = 0.0024876 k( 249) = ( -0.3754165 0.6245835 0.0000000), wk = 0.0024876 k( 250) = ( -0.3691873 0.6308127 0.0000000), wk = 0.0024876 k( 251) = ( -0.3629581 0.6370419 0.0000000), wk = 0.0024876 k( 252) = ( -0.3567289 0.6432711 -0.0000000), wk = 0.0024876 k( 253) = ( -0.3504997 0.6495003 0.0000000), wk = 0.0024876 k( 254) = ( -0.3442706 0.6557294 0.0000000), wk = 0.0024876 k( 255) = ( -0.3380414 0.6619586 0.0000000), wk = 0.0024876 k( 256) = ( -0.3318122 0.6681878 -0.0000000), wk = 0.0024876 k( 257) = ( -0.3255830 0.6744170 0.0000000), wk = 0.0024876 k( 258) = ( -0.3193539 0.6806461 0.0000000), wk = 0.0024876 k( 259) = ( -0.3131247 0.6868753 -0.0000000), wk = 0.0024876 k( 260) = ( -0.3068955 0.6931045 -0.0000000), wk = 0.0024876 k( 261) = ( -0.3006663 0.6993337 0.0000000), wk = 0.0024876 k( 262) = ( -0.2944372 0.7055628 -0.0000000), wk = 0.0024876 k( 263) = ( -0.2882080 0.7117920 0.0000000), wk = 0.0024876 k( 264) = ( -0.2819788 0.7180212 -0.0000000), wk = 0.0024876 k( 265) = ( -0.2819788 0.7180212 -0.0000000), wk = 0.0024876 k( 266) = ( -0.2819788 0.7180212 0.0142857), wk = 0.0024876 k( 267) = ( -0.2819788 0.7180212 0.0285714), wk = 0.0024876 k( 268) = ( -0.2819788 0.7180212 0.0428571), wk = 0.0024876 k( 269) = ( -0.2819788 0.7180212 0.0571429), wk = 0.0024876 k( 270) = ( -0.2819788 0.7180212 0.0714286), wk = 0.0024876 k( 271) = ( -0.2819788 0.7180212 0.0857143), wk = 0.0024876 k( 272) = ( -0.2819788 0.7180212 0.1000000), wk = 0.0024876 k( 273) = ( -0.2819788 0.7180212 0.1142857), wk = 0.0024876 k( 274) = ( -0.2819788 0.7180212 0.1285714), wk = 0.0024876 k( 275) = ( -0.2819788 0.7180212 0.1428571), wk = 0.0024876 k( 276) = ( -0.2819788 0.7180212 0.1571429), wk = 0.0024876 k( 277) = ( -0.2819788 0.7180212 0.1714286), wk = 0.0024876 k( 278) = ( -0.2819788 0.7180212 0.1857143), wk = 0.0024876 k( 279) = ( -0.2819788 0.7180212 0.2000000), wk = 0.0024876 k( 280) = ( -0.2819788 0.7180212 0.2142857), wk = 0.0024876 k( 281) = ( -0.2819788 0.7180212 0.2285714), wk = 0.0024876 k( 282) = ( -0.2819788 0.7180212 0.2428571), wk = 0.0024876 k( 283) = ( -0.2819788 0.7180212 0.2571429), wk = 0.0024876 k( 284) = ( -0.2819788 0.7180212 0.2714286), wk = 0.0024876 k( 285) = ( -0.2819788 0.7180212 0.2857143), wk = 0.0024876 k( 286) = ( -0.2819788 0.7180212 0.3000000), wk = 0.0024876 k( 287) = ( -0.2819788 0.7180212 0.3142857), wk = 0.0024876 k( 288) = ( -0.2819788 0.7180212 0.3285714), wk = 0.0024876 k( 289) = ( -0.2819788 0.7180212 0.3428571), wk = 0.0024876 k( 290) = ( -0.2819788 0.7180212 0.3571429), wk = 0.0024876 k( 291) = ( -0.2819788 0.7180212 0.3714286), wk = 0.0024876 k( 292) = ( -0.2819788 0.7180212 0.3857143), wk = 0.0024876 k( 293) = ( -0.2819788 0.7180212 0.4000000), wk = 0.0024876 k( 294) = ( -0.2819788 0.7180212 0.4142857), wk = 0.0024876 k( 295) = ( -0.2819788 0.7180212 0.4285714), wk = 0.0024876 k( 296) = ( -0.2819788 0.7180212 0.4428571), wk = 0.0024876 k( 297) = ( -0.2819788 0.7180212 0.4571429), wk = 0.0024876 k( 298) = ( -0.2819788 0.7180212 0.4714286), wk = 0.0024876 k( 299) = ( -0.2819788 0.7180212 0.4857143), wk = 0.0024876 k( 300) = ( -0.2819788 0.7180212 0.5000000), wk = 0.0024876 k( 301) = ( -0.2819788 0.7180212 0.5000000), wk = 0.0024876 k( 302) = ( -0.2882080 0.7117920 0.5000000), wk = 0.0024876 k( 303) = ( -0.2944372 0.7055628 0.5000000), wk = 0.0024876 k( 304) = ( -0.3006663 0.6993337 0.5000000), wk = 0.0024876 k( 305) = ( -0.3068955 0.6931045 0.5000000), wk = 0.0024876 k( 306) = ( -0.3131247 0.6868753 0.5000000), wk = 0.0024876 k( 307) = ( -0.3193539 0.6806461 0.5000000), wk = 0.0024876 k( 308) = ( -0.3255830 0.6744170 0.5000000), wk = 0.0024876 k( 309) = ( -0.3318122 0.6681878 0.5000000), wk = 0.0024876 k( 310) = ( -0.3380414 0.6619586 0.5000000), wk = 0.0024876 k( 311) = ( -0.3442706 0.6557294 0.5000000), wk = 0.0024876 k( 312) = ( -0.3504997 0.6495003 0.5000000), wk = 0.0024876 k( 313) = ( -0.3567289 0.6432711 0.5000000), wk = 0.0024876 k( 314) = ( -0.3629581 0.6370419 0.5000000), wk = 0.0024876 k( 315) = ( -0.3691873 0.6308127 0.5000000), wk = 0.0024876 k( 316) = ( -0.3754165 0.6245835 0.5000000), wk = 0.0024876 k( 317) = ( -0.3816456 0.6183544 0.5000000), wk = 0.0024876 k( 318) = ( -0.3878748 0.6121252 0.5000000), wk = 0.0024876 k( 319) = ( -0.3941040 0.6058960 0.5000000), wk = 0.0024876 k( 320) = ( -0.4003332 0.5996668 0.5000000), wk = 0.0024876 k( 321) = ( -0.4065623 0.5934377 0.5000000), wk = 0.0024876 k( 322) = ( -0.4127915 0.5872085 0.5000000), wk = 0.0024876 k( 323) = ( -0.4190207 0.5809793 0.5000000), wk = 0.0024876 k( 324) = ( -0.4252499 0.5747501 0.5000000), wk = 0.0024876 k( 325) = ( -0.4314790 0.5685210 0.5000000), wk = 0.0024876 k( 326) = ( -0.4377082 0.5622918 0.5000000), wk = 0.0024876 k( 327) = ( -0.4439374 0.5560626 0.5000000), wk = 0.0024876 k( 328) = ( -0.4501666 0.5498334 0.5000000), wk = 0.0024876 k( 329) = ( -0.4563958 0.5436042 0.5000000), wk = 0.0024876 k( 330) = ( -0.4626249 0.5373751 0.5000000), wk = 0.0024876 k( 331) = ( -0.4688541 0.5311459 0.5000000), wk = 0.0024876 k( 332) = ( -0.4750833 0.5249167 0.5000000), wk = 0.0024876 k( 333) = ( -0.4813125 0.5186875 0.5000000), wk = 0.0024876 k( 334) = ( -0.4875416 0.5124583 0.5000000), wk = 0.0024876 k( 335) = ( -0.4937708 0.5062292 0.5000000), wk = 0.0024876 k( 336) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024876 k( 337) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024876 k( 338) = ( -0.5000000 0.5000000 0.4857143), wk = 0.0024876 k( 339) = ( -0.5000000 0.5000000 0.4714286), wk = 0.0024876 k( 340) = ( -0.5000000 0.5000000 0.4571429), wk = 0.0024876 k( 341) = ( -0.5000000 0.5000000 0.4428571), wk = 0.0024876 k( 342) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0024876 k( 343) = ( -0.5000000 0.5000000 0.4142857), wk = 0.0024876 k( 344) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0024876 k( 345) = ( -0.5000000 0.5000000 0.3857143), wk = 0.0024876 k( 346) = ( -0.5000000 0.5000000 0.3714286), wk = 0.0024876 k( 347) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0024876 k( 348) = ( -0.5000000 0.5000000 0.3428571), wk = 0.0024876 k( 349) = ( -0.5000000 0.5000000 0.3285714), wk = 0.0024876 k( 350) = ( -0.5000000 0.5000000 0.3142857), wk = 0.0024876 k( 351) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0024876 k( 352) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0024876 k( 353) = ( -0.5000000 0.5000000 0.2714286), wk = 0.0024876 k( 354) = ( -0.5000000 0.5000000 0.2571429), wk = 0.0024876 k( 355) = ( -0.5000000 0.5000000 0.2428571), wk = 0.0024876 k( 356) = ( -0.5000000 0.5000000 0.2285714), wk = 0.0024876 k( 357) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0024876 k( 358) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0024876 k( 359) = ( -0.5000000 0.5000000 0.1857143), wk = 0.0024876 k( 360) = ( -0.5000000 0.5000000 0.1714286), wk = 0.0024876 k( 361) = ( -0.5000000 0.5000000 0.1571429), wk = 0.0024876 k( 362) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0024876 k( 363) = ( -0.5000000 0.5000000 0.1285714), wk = 0.0024876 k( 364) = ( -0.5000000 0.5000000 0.1142857), wk = 0.0024876 k( 365) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0024876 k( 366) = ( -0.5000000 0.5000000 0.0857143), wk = 0.0024876 k( 367) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0024876 k( 368) = ( -0.5000000 0.5000000 0.0571429), wk = 0.0024876 k( 369) = ( -0.5000000 0.5000000 0.0428571), wk = 0.0024876 k( 370) = ( -0.5000000 0.5000000 0.0285714), wk = 0.0024876 k( 371) = ( -0.5000000 0.5000000 0.0142857), wk = 0.0024876 k( 372) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024876 k( 373) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 374) = ( -0.0172414 0.0172414 0.5000000), wk = 0.0024876 k( 375) = ( -0.0344828 0.0344828 0.5000000), wk = 0.0024876 k( 376) = ( -0.0517241 0.0517241 0.5000000), wk = 0.0024876 k( 377) = ( -0.0689655 0.0689655 0.5000000), wk = 0.0024876 k( 378) = ( -0.0862069 0.0862069 0.5000000), wk = 0.0024876 k( 379) = ( -0.1034483 0.1034483 0.5000000), wk = 0.0024876 k( 380) = ( -0.1206897 0.1206897 0.5000000), wk = 0.0024876 k( 381) = ( -0.1379310 0.1379310 0.5000000), wk = 0.0024876 k( 382) = ( -0.1551724 0.1551724 0.5000000), wk = 0.0024876 k( 383) = ( -0.1724138 0.1724138 0.5000000), wk = 0.0024876 k( 384) = ( -0.1896552 0.1896552 0.5000000), wk = 0.0024876 k( 385) = ( -0.2068966 0.2068966 0.5000000), wk = 0.0024876 k( 386) = ( -0.2241379 0.2241379 0.5000000), wk = 0.0024876 k( 387) = ( -0.2413793 0.2413793 0.5000000), wk = 0.0024876 k( 388) = ( -0.2586207 0.2586207 0.5000000), wk = 0.0024876 k( 389) = ( -0.2758621 0.2758621 0.5000000), wk = 0.0024876 k( 390) = ( -0.2931034 0.2931034 0.5000000), wk = 0.0024876 k( 391) = ( -0.3103448 0.3103448 0.5000000), wk = 0.0024876 k( 392) = ( -0.3275862 0.3275862 0.5000000), wk = 0.0024876 k( 393) = ( -0.3448276 0.3448276 0.5000000), wk = 0.0024876 k( 394) = ( -0.3620690 0.3620690 0.5000000), wk = 0.0024876 k( 395) = ( -0.3793103 0.3793103 0.5000000), wk = 0.0024876 k( 396) = ( -0.3965517 0.3965517 0.5000000), wk = 0.0024876 k( 397) = ( -0.4137931 0.4137931 0.5000000), wk = 0.0024876 k( 398) = ( -0.4310345 0.4310345 0.5000000), wk = 0.0024876 k( 399) = ( -0.4482759 0.4482759 0.5000000), wk = 0.0024876 k( 400) = ( -0.4655172 0.4655172 0.5000000), wk = 0.0024876 k( 401) = ( -0.4827586 0.4827586 0.5000000), wk = 0.0024876 k( 402) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024876 Dense grid: 99937 G-vectors FFT dimensions: ( 75, 75, 60) Smooth grid: 28553 G-vectors FFT dimensions: ( 48, 48, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 216, 50) NL pseudopotentials 0.22 Mb ( 108, 136) Each V/rho on FFT grid 0.17 Mb ( 11250) Each G-vector array 0.02 Mb ( 2775) G-vector shells 0.01 Mb ( 1414) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.66 Mb ( 216, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.21 Mb ( 136, 2, 50) The potential is recalculated from file : ./CaAu.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.2 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 6.0 secs Computing kpt #: 5 total cpu time spent up to now is 6.9 secs Computing kpt #: 6 total cpu time spent up to now is 7.7 secs Computing kpt #: 7 total cpu time spent up to now is 8.6 secs Computing kpt #: 8 total cpu time spent up to now is 9.5 secs Computing kpt #: 9 total cpu time spent up to now is 10.3 secs Computing kpt #: 10 total cpu time spent up to now is 11.1 secs Computing kpt #: 11 total cpu time spent up to now is 12.0 secs Computing kpt #: 12 total cpu time spent up to now is 12.8 secs Computing kpt #: 13 total cpu time spent up to now is 13.6 secs Computing kpt #: 14 total cpu time spent up to now is 14.5 secs Computing kpt #: 15 total cpu time spent up to now is 15.3 secs Computing kpt #: 16 total cpu time spent up to now is 16.2 secs Computing kpt #: 17 total cpu time spent up to now is 17.0 secs Computing kpt #: 18 total cpu time spent up to now is 17.9 secs Computing kpt #: 19 total cpu time spent up to now is 18.7 secs Computing kpt #: 20 total cpu time spent up to now is 19.6 secs Computing kpt #: 21 total cpu time spent up to now is 20.5 secs Computing kpt #: 22 total cpu time spent up to now is 21.5 secs Computing kpt #: 23 total cpu time spent up to now is 22.6 secs Computing kpt #: 24 total cpu time spent up to now is 23.6 secs Computing kpt #: 25 total cpu time spent up to now is 24.6 secs Computing kpt #: 26 total cpu time spent up to now is 26.0 secs Computing kpt #: 27 total cpu time spent up to now is 27.4 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 29.1 secs Computing kpt #: 29 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 30.7 secs Computing kpt #: 30 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 32.3 secs Computing kpt #: 31 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 33.9 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 35.5 secs Computing kpt #: 33 total cpu time spent up to now is 36.9 secs Computing kpt #: 34 total cpu time spent up to now is 38.4 secs Computing kpt #: 35 total cpu time spent up to now is 39.7 secs Computing kpt #: 36 total cpu time spent up to now is 40.9 secs Computing kpt #: 37 total cpu time spent up to now is 42.2 secs Computing kpt #: 38 total cpu time spent up to now is 43.3 secs Computing kpt #: 39 total cpu time spent up to now is 44.5 secs Computing kpt #: 40 total cpu time spent up to now is 45.6 secs Computing kpt #: 41 total cpu time spent up to now is 46.7 secs Computing kpt #: 42 total cpu time spent up to now is 47.7 secs Computing kpt #: 43 total cpu time spent up to now is 48.8 secs Computing kpt #: 44 total cpu time spent up to now is 49.8 secs Computing kpt #: 45 total cpu time spent up to now is 50.8 secs Computing kpt #: 46 total cpu time spent up to now is 51.8 secs Computing kpt #: 47 total cpu time spent up to now is 52.8 secs Computing kpt #: 48 total cpu time spent up to now is 53.7 secs Computing kpt #: 49 total cpu time spent up to now is 54.6 secs Computing kpt #: 50 total cpu time spent up to now is 55.6 secs Computing kpt #: 51 total cpu time spent up to now is 56.5 secs Computing kpt #: 52 total cpu time spent up to now is 57.5 secs Computing kpt #: 53 total cpu time spent up to now is 58.4 secs Computing kpt #: 54 total cpu time spent up to now is 59.3 secs Computing kpt #: 55 total cpu time spent up to now is 60.4 secs Computing kpt #: 56 total cpu time spent up to now is 61.3 secs Computing kpt #: 57 total cpu time spent up to now is 62.2 secs Computing kpt #: 58 total cpu time spent up to now is 63.1 secs Computing kpt #: 59 total cpu time spent up to now is 64.0 secs Computing kpt #: 60 total cpu time spent up to now is 64.9 secs Computing kpt #: 61 total cpu time spent up to now is 67.7 secs Computing kpt #: 62 total cpu time spent up to now is 68.7 secs Computing kpt #: 63 total cpu time spent up to now is 69.6 secs Computing kpt #: 64 total cpu time spent up to now is 70.5 secs Computing kpt #: 65 total cpu time spent up to now is 71.4 secs Computing kpt #: 66 total cpu time spent up to now is 72.3 secs Computing kpt #: 67 total cpu time spent up to now is 73.2 secs Computing kpt #: 68 total cpu time spent up to now is 74.1 secs Computing kpt #: 69 total cpu time spent up to now is 75.0 secs Computing kpt #: 70 total cpu time spent up to now is 76.0 secs Computing kpt #: 71 total cpu time spent up to now is 76.9 secs Computing kpt #: 72 total cpu time spent up to now is 77.8 secs Computing kpt #: 73 total cpu time spent up to now is 78.7 secs Computing kpt #: 74 total cpu time spent up to now is 79.6 secs Computing kpt #: 75 total cpu time spent up to now is 80.5 secs Computing kpt #: 76 total cpu time spent up to now is 81.4 secs Computing kpt #: 77 total cpu time spent up to now is 82.3 secs Computing kpt #: 78 total cpu time spent up to now is 83.2 secs Computing kpt #: 79 total cpu time spent up to now is 84.1 secs Computing kpt #: 80 total cpu time spent up to now is 85.0 secs Computing kpt #: 81 total cpu time spent up to now is 85.9 secs Computing kpt #: 82 total cpu time spent up to now is 86.8 secs Computing kpt #: 83 total cpu time spent up to now is 87.7 secs Computing kpt #: 84 total cpu time spent up to now is 88.6 secs Computing kpt #: 85 total cpu time spent up to now is 89.5 secs Computing kpt #: 86 total cpu time spent up to now is 90.4 secs Computing kpt #: 87 total cpu time spent up to now is 91.3 secs Computing kpt #: 88 total cpu time spent up to now is 92.2 secs Computing kpt #: 89 total cpu time spent up to now is 93.2 secs Computing kpt #: 90 total cpu time spent up to now is 94.1 secs Computing kpt #: 91 total cpu time spent up to now is 95.0 secs Computing kpt #: 92 total cpu time spent up to now is 96.0 secs Computing kpt #: 93 total cpu time spent up to now is 96.9 secs Computing kpt #: 94 total cpu time spent up to now is 97.9 secs Computing kpt #: 95 total cpu time spent up to now is 98.8 secs Computing kpt #: 96 total cpu time spent up to now is 99.8 secs Computing kpt #: 97 total cpu time spent up to now is 101.1 secs Computing kpt #: 98 total cpu time spent up to now is 102.1 secs Computing kpt #: 99 total cpu time spent up to now is 102.8 secs Computing kpt #: 100 total cpu time spent up to now is 103.6 secs Computing kpt #: 101 total cpu time spent up to now is 104.6 secs Computing kpt #: 102 total cpu time spent up to now is 105.5 secs Computing kpt #: 103 total cpu time spent up to now is 106.4 secs Computing kpt #: 104 total cpu time spent up to now is 107.5 secs Computing kpt #: 105 total cpu time spent up to now is 108.6 secs Computing kpt #: 106 total cpu time spent up to now is 109.7 secs Computing kpt #: 107 total cpu time spent up to now is 110.7 secs Computing kpt #: 108 total cpu time spent up to now is 111.8 secs Computing kpt #: 109 total cpu time spent up to now is 112.7 secs Computing kpt #: 110 total cpu time spent up to now is 113.8 secs Computing kpt #: 111 total cpu time spent up to now is 114.7 secs Computing kpt #: 112 total cpu time spent up to now is 116.0 secs Computing kpt #: 113 total cpu time spent up to now is 117.0 secs Computing kpt #: 114 total cpu time spent up to now is 118.3 secs Computing kpt #: 115 total cpu time spent up to now is 119.6 secs Computing kpt #: 116 total cpu time spent up to now is 120.6 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 122.2 secs Computing kpt #: 118 total cpu time spent up to now is 123.4 secs Computing kpt #: 119 total cpu time spent up to now is 124.4 secs Computing kpt #: 120 total cpu time spent up to now is 125.8 secs Computing kpt #: 121 total cpu time spent up to now is 127.2 secs Computing kpt #: 122 total cpu time spent up to now is 128.5 secs Computing kpt #: 123 total cpu time spent up to now is 129.8 secs Computing kpt #: 124 total cpu time spent up to now is 130.8 secs Computing kpt #: 125 total cpu time spent up to now is 131.8 secs Computing kpt #: 126 total cpu time spent up to now is 132.8 secs Computing kpt #: 127 total cpu time spent up to now is 133.8 secs Computing kpt #: 128 total cpu time spent up to now is 135.2 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 136.8 secs Computing kpt #: 130 total cpu time spent up to now is 137.9 secs Computing kpt #: 131 total cpu time spent up to now is 139.0 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 140.5 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 142.1 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 143.7 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 145.3 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 147.0 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 148.5 secs Computing kpt #: 138 total cpu time spent up to now is 149.9 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 151.5 secs Computing kpt #: 140 total cpu time spent up to now is 152.5 secs Computing kpt #: 141 total cpu time spent up to now is 153.5 secs Computing kpt #: 142 total cpu time spent up to now is 154.4 secs Computing kpt #: 143 total cpu time spent up to now is 155.5 secs Computing kpt #: 144 total cpu time spent up to now is 156.5 secs Computing kpt #: 145 total cpu time spent up to now is 157.6 secs Computing kpt #: 146 total cpu time spent up to now is 158.5 secs Computing kpt #: 147 total cpu time spent up to now is 159.5 secs Computing kpt #: 148 total cpu time spent up to now is 160.4 secs Computing kpt #: 149 total cpu time spent up to now is 161.4 secs Computing kpt #: 150 total cpu time spent up to now is 162.4 secs Computing kpt #: 151 total cpu time spent up to now is 163.3 secs Computing kpt #: 152 total cpu time spent up to now is 164.3 secs Computing kpt #: 153 total cpu time spent up to now is 165.2 secs Computing kpt #: 154 total cpu time spent up to now is 166.2 secs Computing kpt #: 155 total cpu time spent up to now is 167.1 secs Computing kpt #: 156 total cpu time spent up to now is 168.1 secs Computing kpt #: 157 total cpu time spent up to now is 169.1 secs Computing kpt #: 158 total cpu time spent up to now is 170.1 secs Computing kpt #: 159 total cpu time spent up to now is 171.0 secs Computing kpt #: 160 total cpu time spent up to now is 172.0 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 173.6 secs Computing kpt #: 162 total cpu time spent up to now is 174.4 secs Computing kpt #: 163 total cpu time spent up to now is 175.2 secs Computing kpt #: 164 total cpu time spent up to now is 176.1 secs Computing kpt #: 165 total cpu time spent up to now is 177.0 secs Computing kpt #: 166 total cpu time spent up to now is 177.9 secs Computing kpt #: 167 total cpu time spent up to now is 178.8 secs Computing kpt #: 168 total cpu time spent up to now is 179.6 secs Computing kpt #: 169 total cpu time spent up to now is 180.5 secs Computing kpt #: 170 total cpu time spent up to now is 181.3 secs Computing kpt #: 171 total cpu time spent up to now is 182.2 secs Computing kpt #: 172 total cpu time spent up to now is 183.0 secs Computing kpt #: 173 total cpu time spent up to now is 183.8 secs Computing kpt #: 174 total cpu time spent up to now is 184.7 secs Computing kpt #: 175 total cpu time spent up to now is 185.5 secs Computing kpt #: 176 total cpu time spent up to now is 186.3 secs Computing kpt #: 177 total cpu time spent up to now is 187.2 secs Computing kpt #: 178 total cpu time spent up to now is 188.0 secs Computing kpt #: 179 total cpu time spent up to now is 188.8 secs Computing kpt #: 180 total cpu time spent up to now is 189.7 secs Computing kpt #: 181 total cpu time spent up to now is 190.5 secs Computing kpt #: 182 total cpu time spent up to now is 191.3 secs Computing kpt #: 183 total cpu time spent up to now is 192.2 secs Computing kpt #: 184 total cpu time spent up to now is 193.0 secs Computing kpt #: 185 total cpu time spent up to now is 193.9 secs Computing kpt #: 186 total cpu time spent up to now is 194.8 secs Computing kpt #: 187 total cpu time spent up to now is 195.7 secs Computing kpt #: 188 total cpu time spent up to now is 196.7 secs Computing kpt #: 189 total cpu time spent up to now is 197.7 secs Computing kpt #: 190 total cpu time spent up to now is 198.8 secs Computing kpt #: 191 total cpu time spent up to now is 199.8 secs Computing kpt #: 192 total cpu time spent up to now is 200.8 secs Computing kpt #: 193 total cpu time spent up to now is 201.8 secs Computing kpt #: 194 total cpu time spent up to now is 202.7 secs Computing kpt #: 195 total cpu time spent up to now is 203.7 secs Computing kpt #: 196 total cpu time spent up to now is 204.6 secs Computing kpt #: 197 total cpu time spent up to now is 205.5 secs Computing kpt #: 198 total cpu time spent up to now is 206.5 secs Computing kpt #: 199 total cpu time spent up to now is 207.4 secs Computing kpt #: 200 total cpu time spent up to now is 208.3 secs Computing kpt #: 201 total cpu time spent up to now is 209.2 secs Computing kpt #: 202 total cpu time spent up to now is 210.1 secs Computing kpt #: 203 total cpu time spent up to now is 211.0 secs Computing kpt #: 204 total cpu time spent up to now is 211.9 secs Computing kpt #: 205 total cpu time spent up to now is 212.8 secs Computing kpt #: 206 total cpu time spent up to now is 213.7 secs Computing kpt #: 207 total cpu time spent up to now is 214.6 secs Computing kpt #: 208 total cpu time spent up to now is 215.6 secs Computing kpt #: 209 total cpu time spent up to now is 216.5 secs Computing kpt #: 210 total cpu time spent up to now is 217.4 secs Computing kpt #: 211 total cpu time spent up to now is 218.4 secs Computing kpt #: 212 total cpu time spent up to now is 219.3 secs Computing kpt #: 213 total cpu time spent up to now is 220.4 secs Computing kpt #: 214 total cpu time spent up to now is 221.4 secs Computing kpt #: 215 total cpu time spent up to now is 222.6 secs Computing kpt #: 216 total cpu time spent up to now is 223.6 secs Computing kpt #: 217 total cpu time spent up to now is 224.6 secs Computing kpt #: 218 total cpu time spent up to now is 225.6 secs Computing kpt #: 219 total cpu time spent up to now is 226.6 secs Computing kpt #: 220 total cpu time spent up to now is 227.7 secs Computing kpt #: 221 total cpu time spent up to now is 228.8 secs Computing kpt #: 222 total cpu time spent up to now is 229.8 secs Computing kpt #: 223 total cpu time spent up to now is 230.7 secs Computing kpt #: 224 total cpu time spent up to now is 231.8 secs Computing kpt #: 225 total cpu time spent up to now is 232.8 secs Computing kpt #: 226 total cpu time spent up to now is 233.9 secs Computing kpt #: 227 total cpu time spent up to now is 234.9 secs Computing kpt #: 228 total cpu time spent up to now is 235.9 secs Computing kpt #: 229 total cpu time spent up to now is 237.0 secs Computing kpt #: 230 total cpu time spent up to now is 238.0 secs Computing kpt #: 231 total cpu time spent up to now is 239.0 secs Computing kpt #: 232 total cpu time spent up to now is 240.0 secs Computing kpt #: 233 total cpu time spent up to now is 241.0 secs Computing kpt #: 234 total cpu time spent up to now is 242.1 secs Computing kpt #: 235 total cpu time spent up to now is 243.2 secs Computing kpt #: 236 total cpu time spent up to now is 244.2 secs Computing kpt #: 237 total cpu time spent up to now is 245.2 secs Computing kpt #: 238 total cpu time spent up to now is 246.3 secs Computing kpt #: 239 total cpu time spent up to now is 247.3 secs Computing kpt #: 240 total cpu time spent up to now is 248.3 secs Computing kpt #: 241 total cpu time spent up to now is 249.3 secs Computing kpt #: 242 total cpu time spent up to now is 250.3 secs Computing kpt #: 243 total cpu time spent up to now is 251.2 secs Computing kpt #: 244 total cpu time spent up to now is 252.2 secs Computing kpt #: 245 total cpu time spent up to now is 253.1 secs Computing kpt #: 246 total cpu time spent up to now is 254.1 secs Computing kpt #: 247 total cpu time spent up to now is 255.1 secs Computing kpt #: 248 total cpu time spent up to now is 256.1 secs Computing kpt #: 249 total cpu time spent up to now is 257.1 secs Computing kpt #: 250 total cpu time spent up to now is 258.1 secs Computing kpt #: 251 total cpu time spent up to now is 259.2 secs Computing kpt #: 252 total cpu time spent up to now is 260.2 secs Computing kpt #: 253 total cpu time spent up to now is 261.3 secs Computing kpt #: 254 total cpu time spent up to now is 262.3 secs Computing kpt #: 255 total cpu time spent up to now is 263.6 secs Computing kpt #: 256 total cpu time spent up to now is 264.6 secs Computing kpt #: 257 total cpu time spent up to now is 265.6 secs Computing kpt #: 258 total cpu time spent up to now is 266.8 secs Computing kpt #: 259 total cpu time spent up to now is 267.9 secs Computing kpt #: 260 total cpu time spent up to now is 268.9 secs Computing kpt #: 261 total cpu time spent up to now is 270.0 secs Computing kpt #: 262 total cpu time spent up to now is 271.2 secs Computing kpt #: 263 total cpu time spent up to now is 272.1 secs Computing kpt #: 264 total cpu time spent up to now is 273.1 secs Computing kpt #: 265 total cpu time spent up to now is 274.1 secs Computing kpt #: 266 total cpu time spent up to now is 275.1 secs Computing kpt #: 267 total cpu time spent up to now is 276.0 secs Computing kpt #: 268 total cpu time spent up to now is 277.0 secs Computing kpt #: 269 total cpu time spent up to now is 277.9 secs Computing kpt #: 270 total cpu time spent up to now is 278.8 secs Computing kpt #: 271 total cpu time spent up to now is 279.7 secs Computing kpt #: 272 total cpu time spent up to now is 280.6 secs Computing kpt #: 273 total cpu time spent up to now is 281.5 secs Computing kpt #: 274 total cpu time spent up to now is 282.3 secs Computing kpt #: 275 total cpu time spent up to now is 283.1 secs Computing kpt #: 276 total cpu time spent up to now is 284.0 secs Computing kpt #: 277 total cpu time spent up to now is 284.8 secs Computing kpt #: 278 total cpu time spent up to now is 285.7 secs Computing kpt #: 279 total cpu time spent up to now is 286.6 secs Computing kpt #: 280 total cpu time spent up to now is 287.4 secs Computing kpt #: 281 total cpu time spent up to now is 288.2 secs Computing kpt #: 282 total cpu time spent up to now is 289.1 secs Computing kpt #: 283 total cpu time spent up to now is 289.9 secs Computing kpt #: 284 total cpu time spent up to now is 290.8 secs Computing kpt #: 285 total cpu time spent up to now is 291.7 secs Computing kpt #: 286 total cpu time spent up to now is 292.5 secs Computing kpt #: 287 total cpu time spent up to now is 293.5 secs Computing kpt #: 288 total cpu time spent up to now is 294.4 secs Computing kpt #: 289 total cpu time spent up to now is 295.3 secs Computing kpt #: 290 total cpu time spent up to now is 296.3 secs Computing kpt #: 291 total cpu time spent up to now is 297.2 secs Computing kpt #: 292 total cpu time spent up to now is 298.4 secs Computing kpt #: 293 total cpu time spent up to now is 299.5 secs Computing kpt #: 294 total cpu time spent up to now is 300.8 secs Computing kpt #: 295 total cpu time spent up to now is 301.8 secs Computing kpt #: 296 total cpu time spent up to now is 302.9 secs Computing kpt #: 297 total cpu time spent up to now is 304.1 secs Computing kpt #: 298 total cpu time spent up to now is 305.5 secs Computing kpt #: 299 total cpu time spent up to now is 306.6 secs Computing kpt #: 300 total cpu time spent up to now is 307.6 secs Computing kpt #: 301 total cpu time spent up to now is 308.8 secs Computing kpt #: 302 total cpu time spent up to now is 309.8 secs Computing kpt #: 303 total cpu time spent up to now is 311.2 secs Computing kpt #: 304 total cpu time spent up to now is 312.5 secs Computing kpt #: 305 total cpu time spent up to now is 313.8 secs Computing kpt #: 306 total cpu time spent up to now is 315.1 secs Computing kpt #: 307 total cpu time spent up to now is 316.4 secs Computing kpt #: 308 total cpu time spent up to now is 317.5 secs Computing kpt #: 309 total cpu time spent up to now is 318.7 secs Computing kpt #: 310 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 320.2 secs Computing kpt #: 311 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 321.8 secs Computing kpt #: 312 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 323.4 secs Computing kpt #: 313 total cpu time spent up to now is 324.4 secs Computing kpt #: 314 total cpu time spent up to now is 325.9 secs Computing kpt #: 315 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 327.5 secs Computing kpt #: 316 total cpu time spent up to now is 328.6 secs Computing kpt #: 317 total cpu time spent up to now is 329.8 secs Computing kpt #: 318 total cpu time spent up to now is 331.0 secs Computing kpt #: 319 total cpu time spent up to now is 332.2 secs Computing kpt #: 320 total cpu time spent up to now is 333.5 secs Computing kpt #: 321 total cpu time spent up to now is 335.1 secs Computing kpt #: 322 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 336.7 secs Computing kpt #: 323 total cpu time spent up to now is 338.2 secs Computing kpt #: 324 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 339.9 secs Computing kpt #: 325 total cpu time spent up to now is 341.5 secs Computing kpt #: 326 total cpu time spent up to now is 342.7 secs Computing kpt #: 327 total cpu time spent up to now is 343.8 secs Computing kpt #: 328 total cpu time spent up to now is 344.9 secs Computing kpt #: 329 total cpu time spent up to now is 346.2 secs Computing kpt #: 330 total cpu time spent up to now is 347.3 secs Computing kpt #: 331 total cpu time spent up to now is 348.3 secs Computing kpt #: 332 total cpu time spent up to now is 349.3 secs Computing kpt #: 333 total cpu time spent up to now is 350.4 secs Computing kpt #: 334 total cpu time spent up to now is 351.4 secs Computing kpt #: 335 total cpu time spent up to now is 352.4 secs Computing kpt #: 336 total cpu time spent up to now is 353.4 secs Computing kpt #: 337 total cpu time spent up to now is 354.4 secs Computing kpt #: 338 total cpu time spent up to now is 355.5 secs Computing kpt #: 339 total cpu time spent up to now is 356.6 secs Computing kpt #: 340 total cpu time spent up to now is 357.8 secs Computing kpt #: 341 total cpu time spent up to now is 359.0 secs Computing kpt #: 342 total cpu time spent up to now is 360.2 secs Computing kpt #: 343 total cpu time spent up to now is 361.3 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 363.0 secs Computing kpt #: 345 total cpu time spent up to now is 364.5 secs Computing kpt #: 346 total cpu time spent up to now is 365.8 secs Computing kpt #: 347 total cpu time spent up to now is 367.1 secs Computing kpt #: 348 total cpu time spent up to now is 368.4 secs Computing kpt #: 349 total cpu time spent up to now is 369.6 secs Computing kpt #: 350 total cpu time spent up to now is 370.8 secs Computing kpt #: 351 total cpu time spent up to now is 371.9 secs Computing kpt #: 352 total cpu time spent up to now is 373.5 secs Computing kpt #: 353 total cpu time spent up to now is 374.9 secs Computing kpt #: 354 total cpu time spent up to now is 376.3 secs Computing kpt #: 355 total cpu time spent up to now is 377.5 secs Computing kpt #: 356 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 379.2 secs Computing kpt #: 357 total cpu time spent up to now is 380.7 secs Computing kpt #: 358 total cpu time spent up to now is 381.7 secs Computing kpt #: 359 total cpu time spent up to now is 382.9 secs Computing kpt #: 360 total cpu time spent up to now is 383.9 secs Computing kpt #: 361 total cpu time spent up to now is 385.0 secs Computing kpt #: 362 total cpu time spent up to now is 386.0 secs Computing kpt #: 363 total cpu time spent up to now is 387.1 secs Computing kpt #: 364 total cpu time spent up to now is 388.3 secs Computing kpt #: 365 total cpu time spent up to now is 389.3 secs Computing kpt #: 366 total cpu time spent up to now is 390.3 secs Computing kpt #: 367 total cpu time spent up to now is 391.4 secs Computing kpt #: 368 total cpu time spent up to now is 392.4 secs Computing kpt #: 369 total cpu time spent up to now is 393.4 secs Computing kpt #: 370 total cpu time spent up to now is 394.4 secs Computing kpt #: 371 total cpu time spent up to now is 395.4 secs Computing kpt #: 372 total cpu time spent up to now is 396.4 secs Computing kpt #: 373 total cpu time spent up to now is 397.2 secs Computing kpt #: 374 total cpu time spent up to now is 398.0 secs Computing kpt #: 375 total cpu time spent up to now is 398.8 secs Computing kpt #: 376 total cpu time spent up to now is 399.6 secs Computing kpt #: 377 total cpu time spent up to now is 400.4 secs Computing kpt #: 378 total cpu time spent up to now is 401.3 secs Computing kpt #: 379 total cpu time spent up to now is 402.1 secs Computing kpt #: 380 total cpu time spent up to now is 403.0 secs Computing kpt #: 381 total cpu time spent up to now is 403.8 secs Computing kpt #: 382 total cpu time spent up to now is 404.7 secs Computing kpt #: 383 total cpu time spent up to now is 405.5 secs Computing kpt #: 384 total cpu time spent up to now is 406.4 secs Computing kpt #: 385 total cpu time spent up to now is 407.3 secs Computing kpt #: 386 total cpu time spent up to now is 408.6 secs Computing kpt #: 387 total cpu time spent up to now is 409.5 secs Computing kpt #: 388 total cpu time spent up to now is 410.4 secs Computing kpt #: 389 total cpu time spent up to now is 411.3 secs Computing kpt #: 390 total cpu time spent up to now is 412.3 secs Computing kpt #: 391 total cpu time spent up to now is 413.2 secs Computing kpt #: 392 total cpu time spent up to now is 414.2 secs Computing kpt #: 393 total cpu time spent up to now is 415.1 secs Computing kpt #: 394 total cpu time spent up to now is 416.1 secs Computing kpt #: 395 total cpu time spent up to now is 417.0 secs Computing kpt #: 396 total cpu time spent up to now is 418.0 secs Computing kpt #: 397 total cpu time spent up to now is 418.9 secs Computing kpt #: 398 total cpu time spent up to now is 419.9 secs Computing kpt #: 399 total cpu time spent up to now is 420.9 secs Computing kpt #: 400 total cpu time spent up to now is 421.9 secs Computing kpt #: 401 total cpu time spent up to now is 422.9 secs Computing kpt #: 402 total cpu time spent up to now is 423.8 secs ethr = 2.38E-08, avg # of iterations = 57.4 total cpu time spent up to now is 423.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3577 PWs) bands (ev): -31.4145 -31.4145 -31.3978 -31.3978 -12.7086 -12.7086 -12.6376 -12.6376 -12.3577 -12.3577 -12.3003 -12.3003 -12.2585 -12.2585 -12.2558 -12.2558 2.8800 2.8800 4.0944 4.0944 4.1096 4.1096 4.3075 4.3075 4.3311 4.3311 5.4478 5.4478 5.6971 5.6971 5.7993 5.7993 5.9641 5.9641 6.4629 6.4629 6.5514 6.5514 7.6804 7.6804 9.7174 9.7174 11.3237 11.3237 11.8441 11.8441 12.3445 12.3445 12.4282 12.4282 k = 0.0063 0.0175-0.0000 ( 3573 PWs) bands (ev): -31.4145 -31.4145 -31.3978 -31.3978 -12.7086 -12.7086 -12.6376 -12.6376 -12.3577 -12.3577 -12.3004 -12.3004 -12.2585 -12.2585 -12.2558 -12.2558 2.8815 2.8815 4.0944 4.0944 4.1098 4.1098 4.3081 4.3081 4.3314 4.3314 5.4480 5.4480 5.6973 5.6973 5.7995 5.7995 5.9643 5.9643 6.4627 6.4627 6.5513 6.5513 7.6810 7.6810 9.7170 9.7170 11.3223 11.3223 11.8423 11.8423 12.3444 12.3444 12.4175 12.4175 k = 0.0125 0.0350-0.0000 ( 3567 PWs) bands (ev): -31.4144 -31.4144 -31.3978 -31.3978 -12.7086 -12.7086 -12.6378 -12.6378 -12.3576 -12.3576 -12.3006 -12.3006 -12.2585 -12.2585 -12.2561 -12.2561 2.8858 2.8858 4.0945 4.0945 4.1104 4.1104 4.3098 4.3098 4.3320 4.3320 5.4484 5.4484 5.6979 5.6979 5.8001 5.8001 5.9650 5.9650 6.4620 6.4620 6.5511 6.5511 7.6829 7.6829 9.7157 9.7157 11.3179 11.3179 11.8369 11.8369 12.3437 12.3437 12.3890 12.3890 k = 0.0188 0.0526-0.0000 ( 3561 PWs) bands (ev): -31.4144 -31.4144 -31.3978 -31.3978 -12.7086 -12.7086 -12.6380 -12.6380 -12.3575 -12.3575 -12.3010 -12.3010 -12.2586 -12.2586 -12.2564 -12.2564 2.8931 2.8931 4.0947 4.0947 4.1114 4.1114 4.3127 4.3127 4.3331 4.3331 5.4492 5.4492 5.6989 5.6989 5.8011 5.8011 5.9662 5.9662 6.4610 6.4610 6.5508 6.5508 7.6861 7.6861 9.7135 9.7135 11.3107 11.3107 11.8278 11.8278 12.3367 12.3367 12.3552 12.3552 k = 0.0251 0.0701-0.0000 ( 3565 PWs) bands (ev): -31.4143 -31.4143 -31.3978 -31.3978 -12.7086 -12.7086 -12.6384 -12.6384 -12.3573 -12.3573 -12.3015 -12.3015 -12.2589 -12.2589 -12.2568 -12.2568 2.9032 2.9032 4.0950 4.0950 4.1127 4.1127 4.3168 4.3168 4.3346 4.3346 5.4501 5.4501 5.7003 5.7003 5.8026 5.8026 5.9678 5.9678 6.4595 6.4595 6.5502 6.5502 7.6905 7.6905 9.7103 9.7103 11.3005 11.3005 11.8152 11.8152 12.2961 12.2961 12.3480 12.3480 k = 0.0313 0.0876-0.0000 ( 3567 PWs) bands (ev): -31.4142 -31.4142 -31.3977 -31.3977 -12.7087 -12.7087 -12.6389 -12.6389 -12.3571 -12.3571 -12.3022 -12.3022 -12.2594 -12.2594 -12.2572 -12.2572 2.9161 2.9161 4.0955 4.0955 4.1144 4.1144 4.3221 4.3221 4.3365 4.3365 5.4512 5.4512 5.7022 5.7022 5.8047 5.8047 5.9699 5.9699 6.4578 6.4578 6.5495 6.5495 7.6963 7.6963 9.7061 9.7061 11.2874 11.2874 11.7988 11.7988 12.2442 12.2442 12.3479 12.3479 k = 0.0376 0.1051-0.0000 ( 3567 PWs) bands (ev): -31.4141 -31.4141 -31.3977 -31.3977 -12.7088 -12.7088 -12.6395 -12.6395 -12.3569 -12.3569 -12.3030 -12.3030 -12.2602 -12.2602 -12.2575 -12.2575 2.9318 2.9318 4.0961 4.0961 4.1162 4.1162 4.3285 4.3285 4.3388 4.3388 5.4522 5.4522 5.7045 5.7045 5.8074 5.8074 5.9725 5.9725 6.4556 6.4556 6.5486 6.5486 7.7033 7.7033 9.7007 9.7007 11.2715 11.2715 11.7787 11.7787 12.1884 12.1884 12.3489 12.3489 k = 0.0439 0.1226-0.0000 ( 3558 PWs) bands (ev): -31.4139 -31.4139 -31.3977 -31.3977 -12.7088 -12.7088 -12.6402 -12.6402 -12.3566 -12.3566 -12.3040 -12.3040 -12.2613 -12.2613 -12.2576 -12.2576 2.9501 2.9501 4.0969 4.0969 4.1183 4.1183 4.3358 4.3358 4.3417 4.3417 5.4532 5.4532 5.7073 5.7073 5.8111 5.8111 5.9755 5.9755 6.4532 6.4532 6.5475 6.5475 7.7116 7.7116 9.6939 9.6939 11.2527 11.2527 11.7548 11.7548 12.1302 12.1302 12.3508 12.3508 k = 0.0501 0.1402-0.0000 ( 3566 PWs) bands (ev): -31.4138 -31.4138 -31.3977 -31.3977 -12.7089 -12.7089 -12.6410 -12.6410 -12.3562 -12.3562 -12.3051 -12.3051 -12.2626 -12.2626 -12.2578 -12.2578 2.9710 2.9710 4.0979 4.0979 4.1206 4.1206 4.3421 4.3421 4.3469 4.3469 5.4540 5.4540 5.7105 5.7105 5.8158 5.8158 5.9790 5.9790 6.4506 6.4506 6.5461 6.5461 7.7213 7.7213 9.6855 9.6855 11.2311 11.2311 11.7272 11.7272 12.0699 12.0699 12.3536 12.3536 k = 0.0564 0.1577-0.0000 ( 3560 PWs) bands (ev): -31.4136 -31.4136 -31.3976 -31.3976 -12.7090 -12.7090 -12.6419 -12.6419 -12.3558 -12.3558 -12.3063 -12.3063 -12.2640 -12.2640 -12.2579 -12.2579 2.9945 2.9945 4.0991 4.0991 4.1231 4.1231 4.3456 4.3456 4.3564 4.3564 5.4545 5.4545 5.7140 5.7140 5.8219 5.8219 5.9830 5.9830 6.4478 6.4478 6.5445 6.5445 7.7323 7.7323 9.6754 9.6754 11.2067 11.2067 11.6957 11.6957 12.0082 12.0082 12.3575 12.3575 k = 0.0627 0.1752-0.0000 ( 3560 PWs) bands (ev): -31.4134 -31.4134 -31.3976 -31.3976 -12.7091 -12.7091 -12.6428 -12.6428 -12.3554 -12.3554 -12.3075 -12.3075 -12.2656 -12.2656 -12.2580 -12.2580 3.0203 3.0203 4.1005 4.1005 4.1257 4.1257 4.3486 4.3486 4.3677 4.3677 5.4546 5.4546 5.7178 5.7178 5.8295 5.8295 5.9874 5.9874 6.4448 6.4448 6.5427 6.5427 7.7447 7.7447 9.6632 9.6632 11.1795 11.1795 11.6604 11.6604 11.9454 11.9454 12.3627 12.3627 k = 0.0689 0.1927-0.0000 ( 3556 PWs) bands (ev): -31.4132 -31.4132 -31.3975 -31.3975 -12.7093 -12.7093 -12.6439 -12.6439 -12.3550 -12.3550 -12.3089 -12.3089 -12.2674 -12.2674 -12.2581 -12.2581 3.0483 3.0483 4.1021 4.1021 4.1283 4.1283 4.3514 4.3514 4.3806 4.3806 5.4542 5.4542 5.7216 5.7216 5.8390 5.8390 5.9923 5.9923 6.4417 6.4417 6.5405 6.5405 7.7585 7.7585 9.6486 9.6486 11.1496 11.1496 11.6213 11.6213 11.8820 11.8820 12.3694 12.3694 k = 0.0752 0.2102-0.0000 ( 3562 PWs) bands (ev): -31.4130 -31.4130 -31.3975 -31.3975 -12.7094 -12.7094 -12.6451 -12.6451 -12.3545 -12.3545 -12.3103 -12.3103 -12.2693 -12.2693 -12.2583 -12.2583 3.0784 3.0784 4.1039 4.1039 4.1311 4.1311 4.3541 4.3541 4.3948 4.3948 5.4532 5.4532 5.7253 5.7253 5.8505 5.8505 5.9977 5.9977 6.4386 6.4386 6.5381 6.5381 7.7737 7.7737 9.6312 9.6312 11.1170 11.1170 11.5783 11.5783 11.8184 11.8184 12.3776 12.3776 k = 0.0815 0.2278-0.0000 ( 3562 PWs) bands (ev): -31.4127 -31.4127 -31.3975 -31.3975 -12.7095 -12.7095 -12.6464 -12.6464 -12.3540 -12.3540 -12.3118 -12.3118 -12.2713 -12.2713 -12.2584 -12.2584 3.1104 3.1104 4.1060 4.1060 4.1339 4.1339 4.3567 4.3567 4.4105 4.4105 5.4516 5.4516 5.7289 5.7289 5.8642 5.8642 6.0036 6.0036 6.4354 6.4354 6.5354 6.5354 7.7903 7.7903 9.6107 9.6107 11.0817 11.0817 11.5319 11.5319 11.7551 11.7551 12.3875 12.3875 k = 0.0877 0.2453-0.0000 ( 3562 PWs) bands (ev): -31.4125 -31.4125 -31.3974 -31.3974 -12.7097 -12.7097 -12.6477 -12.6477 -12.3535 -12.3535 -12.3133 -12.3133 -12.2734 -12.2734 -12.2586 -12.2586 3.1441 3.1441 4.1083 4.1083 4.1367 4.1367 4.3591 4.3591 4.4276 4.4276 5.4494 5.4494 5.7323 5.7323 5.8801 5.8801 6.0101 6.0101 6.4322 6.4322 6.5324 6.5324 7.8085 7.8085 9.5867 9.5867 11.0436 11.0436 11.4821 11.4821 11.6928 11.6928 12.3993 12.3993 k = 0.0940 0.2628-0.0000 ( 3562 PWs) bands (ev): -31.4122 -31.4122 -31.3974 -31.3974 -12.7099 -12.7099 -12.6491 -12.6491 -12.3530 -12.3530 -12.3149 -12.3149 -12.2755 -12.2755 -12.2588 -12.2588 3.1794 3.1794 4.1107 4.1107 4.1395 4.1395 4.3612 4.3612 4.4463 4.4463 5.4467 5.4467 5.7356 5.7356 5.8982 5.8982 6.0171 6.0171 6.4291 6.4291 6.5292 6.5292 7.8281 7.8281 9.5587 9.5587 11.0028 11.0028 11.4295 11.4295 11.6319 11.6319 12.4128 12.4128 k = 0.1003 0.2803-0.0000 ( 3564 PWs) bands (ev): -31.4119 -31.4119 -31.3974 -31.3974 -12.7100 -12.7100 -12.6506 -12.6506 -12.3524 -12.3524 -12.3165 -12.3165 -12.2777 -12.2777 -12.2591 -12.2591 3.2158 3.2158 4.1134 4.1134 4.1423 4.1423 4.3630 4.3630 4.4665 4.4665 5.4434 5.4434 5.7387 5.7387 5.9184 5.9184 6.0247 6.0247 6.4260 6.4260 6.5256 6.5256 7.8493 7.8493 9.5262 9.5262 10.9590 10.9590 11.3743 11.3743 11.5730 11.5730 12.4282 12.4282 k = 0.1065 0.2978-0.0000 ( 3562 PWs) bands (ev): -31.4116 -31.4116 -31.3973 -31.3973 -12.7102 -12.7102 -12.6521 -12.6521 -12.3519 -12.3519 -12.3181 -12.3181 -12.2800 -12.2800 -12.2594 -12.2594 3.2533 3.2533 4.1162 4.1162 4.1450 4.1450 4.3645 4.3645 4.4883 4.4883 5.4396 5.4396 5.7418 5.7418 5.9404 5.9404 6.0331 6.0331 6.4230 6.4230 6.5218 6.5218 7.8721 7.8721 9.4888 9.4888 10.9125 10.9125 11.3173 11.3173 11.5167 11.5167 12.4454 12.4454 k = 0.1128 0.3154-0.0000 ( 3566 PWs) bands (ev): -31.4113 -31.4113 -31.3973 -31.3973 -12.7104 -12.7104 -12.6537 -12.6537 -12.3514 -12.3514 -12.3196 -12.3196 -12.2822 -12.2822 -12.2597 -12.2597 3.2916 3.2916 4.1192 4.1192 4.1477 4.1477 4.3657 4.3657 4.5117 4.5117 5.4354 5.4354 5.7450 5.7450 5.9640 5.9640 6.0423 6.0423 6.4201 6.4201 6.5178 6.5178 7.8965 7.8965 9.4461 9.4461 10.8630 10.8630 11.2589 11.2589 11.4634 11.4634 12.4644 12.4644 k = 0.1191 0.3329-0.0000 ( 3558 PWs) bands (ev): -31.4109 -31.4109 -31.3972 -31.3972 -12.7105 -12.7105 -12.6554 -12.6554 -12.3508 -12.3508 -12.3211 -12.3211 -12.2845 -12.2845 -12.2601 -12.2601 3.3303 3.3303 4.1224 4.1224 4.1504 4.1504 4.3665 4.3665 4.5368 4.5368 5.4307 5.4307 5.7485 5.7485 5.9888 5.9888 6.0524 6.0524 6.4173 6.4173 6.5135 6.5135 7.9224 7.9224 9.3978 9.3978 10.8107 10.8107 11.1995 11.1995 11.4137 11.4137 12.4853 12.4853 k = 0.1253 0.3504-0.0000 ( 3560 PWs) bands (ev): -31.4106 -31.4106 -31.3972 -31.3972 -12.7106 -12.7106 -12.6571 -12.6571 -12.3503 -12.3503 -12.3226 -12.3226 -12.2868 -12.2868 -12.2605 -12.2605 3.3691 3.3691 4.1258 4.1258 4.1529 4.1529 4.3669 4.3669 4.5635 4.5635 5.4258 5.4258 5.7522 5.7522 6.0143 6.0143 6.0639 6.0639 6.4146 6.4146 6.5091 6.5091 7.9500 7.9500 9.3435 9.3435 10.7556 10.7556 11.1399 11.1399 11.3682 11.3682 12.5078 12.5078 k = 0.1316 0.3679-0.0000 ( 3564 PWs) bands (ev): -31.4103 -31.4103 -31.3972 -31.3972 -12.7108 -12.7108 -12.6588 -12.6588 -12.3498 -12.3498 -12.3240 -12.3240 -12.2891 -12.2891 -12.2609 -12.2609 3.4078 3.4078 4.1292 4.1292 4.1554 4.1554 4.3670 4.3670 4.5919 4.5919 5.4206 5.4206 5.7564 5.7564 6.0396 6.0396 6.0773 6.0773 6.4120 6.4120 6.5045 6.5045 7.9791 7.9791 9.2833 9.2833 10.6976 10.6976 11.0806 11.0806 11.3271 11.3271 12.5320 12.5320 k = 0.1379 0.3854-0.0000 ( 3564 PWs) bands (ev): -31.4100 -31.4100 -31.3972 -31.3972 -12.7109 -12.7109 -12.6606 -12.6606 -12.3493 -12.3493 -12.3254 -12.3254 -12.2912 -12.2912 -12.2614 -12.2614 3.4460 3.4460 4.1328 4.1328 4.1579 4.1579 4.3667 4.3667 4.6218 4.6218 5.4152 5.4152 5.7611 5.7611 6.0633 6.0633 6.0939 6.0939 6.4096 6.4096 6.4998 6.4998 8.0096 8.0096 9.2171 9.2171 10.6368 10.6368 11.0224 11.0224 11.2907 11.2907 12.5578 12.5578 k = 0.1441 0.4030-0.0000 ( 3564 PWs) bands (ev): -31.4096 -31.4096 -31.3972 -31.3972 -12.7110 -12.7110 -12.6623 -12.6623 -12.3489 -12.3489 -12.3266 -12.3266 -12.2934 -12.2934 -12.2619 -12.2619 3.4835 3.4835 4.1364 4.1364 4.1602 4.1602 4.3660 4.3660 4.6532 4.6532 5.4097 5.4097 5.7666 5.7666 6.0842 6.0842 6.1147 6.1147 6.4073 6.4073 6.4950 6.4950 8.0414 8.0414 9.1453 9.1453 10.5731 10.5731 10.9662 10.9662 11.2589 11.2589 12.5850 12.5850 k = 0.1504 0.4205-0.0000 ( 3562 PWs) bands (ev): -31.4093 -31.4093 -31.3972 -31.3972 -12.7111 -12.7111 -12.6641 -12.6641 -12.3485 -12.3485 -12.3278 -12.3278 -12.2954 -12.2954 -12.2624 -12.2624 3.5200 3.5200 4.1400 4.1400 4.1625 4.1625 4.3650 4.3650 4.6858 4.6858 5.4042 5.4042 5.7729 5.7729 6.1029 6.1029 6.1390 6.1390 6.4050 6.4050 6.4902 6.4902 8.0743 8.0743 9.0682 9.0682 10.5067 10.5067 10.9128 10.9128 11.2317 11.2317 12.6135 12.6135 k = 0.1567 0.4380-0.0000 ( 3562 PWs) bands (ev): -31.4089 -31.4089 -31.3972 -31.3972 -12.7112 -12.7112 -12.6659 -12.6659 -12.3482 -12.3482 -12.3289 -12.3289 -12.2973 -12.2973 -12.2630 -12.2630 3.5553 3.5553 4.1437 4.1437 4.1649 4.1649 4.3637 4.3637 4.7195 4.7195 5.3986 5.3986 5.7800 5.7800 6.1213 6.1213 6.1648 6.1648 6.4029 6.4029 6.4855 6.4855 8.1077 8.1077 8.9866 8.9866 10.4378 10.4378 10.8629 10.8629 11.2089 11.2089 12.6430 12.6430 k = 0.1629 0.4555-0.0000 ( 3560 PWs) bands (ev): -31.4086 -31.4086 -31.3972 -31.3972 -12.7112 -12.7112 -12.6676 -12.6676 -12.3479 -12.3479 -12.3299 -12.3299 -12.2991 -12.2991 -12.2636 -12.2636 3.5890 3.5890 4.1471 4.1471 4.1673 4.1673 4.3621 4.3621 4.7538 4.7538 5.3930 5.3930 5.7881 5.7881 6.1406 6.1406 6.1906 6.1906 6.4009 6.4009 6.4811 6.4811 8.1412 8.1412 8.9012 8.9012 10.3668 10.3668 10.8169 10.8169 11.1902 11.1902 12.6728 12.6728 k = 0.1692 0.4730-0.0000 ( 3552 PWs) bands (ev): -31.4083 -31.4083 -31.3973 -31.3973 -12.7112 -12.7112 -12.6693 -12.6693 -12.3477 -12.3477 -12.3308 -12.3308 -12.3008 -12.3008 -12.2642 -12.2642 3.6210 3.6210 4.1504 4.1504 4.1698 4.1698 4.3602 4.3602 4.7885 4.7885 5.3876 5.3876 5.7972 5.7972 6.1615 6.1615 6.2156 6.2156 6.3989 6.3989 6.4770 6.4770 8.1738 8.1738 8.8134 8.8134 10.2948 10.2948 10.7751 10.7751 11.1755 11.1755 12.7005 12.7005 k = 0.1755 0.4906-0.0000 ( 3556 PWs) bands (ev): -31.4079 -31.4079 -31.3973 -31.3973 -12.7112 -12.7112 -12.6711 -12.6711 -12.3475 -12.3475 -12.3316 -12.3316 -12.3023 -12.3023 -12.2649 -12.2649 3.6513 3.6513 4.1534 4.1534 4.1725 4.1725 4.3581 4.3581 4.8231 4.8231 5.3822 5.3822 5.8072 5.8072 6.1846 6.1846 6.2394 6.2394 6.3969 6.3969 6.4734 6.4734 8.2039 8.2039 8.7247 8.7247 10.2226 10.2226 10.7375 10.7375 11.1645 11.1645 12.7148 12.7151 k = 0.1817 0.5081-0.0000 ( 3564 PWs) bands (ev): -31.4076 -31.4076 -31.3974 -31.3974 -12.7112 -12.7112 -12.6728 -12.6728 -12.3474 -12.3474 -12.3323 -12.3323 -12.3037 -12.3037 -12.2656 -12.2656 3.6795 3.6795 4.1560 4.1560 4.1755 4.1755 4.3558 4.3558 4.8570 4.8570 5.3770 5.3770 5.8182 5.8182 6.2100 6.2100 6.2615 6.2615 6.3949 6.3949 6.4706 6.4706 8.2290 8.2290 8.6376 8.6376 10.1520 10.1520 10.7039 10.7039 11.1570 11.1570 12.7027 12.7164 k = 0.1880 0.5256-0.0000 ( 3560 PWs) bands (ev): -31.4073 -31.4073 -31.3974 -31.3974 -12.7111 -12.7111 -12.6744 -12.6744 -12.3473 -12.3473 -12.3330 -12.3330 -12.3048 -12.3048 -12.2664 -12.2664 3.7058 3.7058 4.1582 4.1582 4.1789 4.1789 4.3534 4.3534 4.8898 4.8898 5.3720 5.3720 5.8298 5.8298 6.2377 6.2377 6.2817 6.2817 6.3928 6.3928 6.4691 6.4691 8.2443 8.2443 8.5566 8.5566 10.0848 10.0848 10.6743 10.6743 11.1528 11.1528 12.6812 12.6812 k = 0.1943 0.5431-0.0000 ( 3572 PWs) bands (ev): -31.4070 -31.4070 -31.3975 -31.3975 -12.7109 -12.7109 -12.6760 -12.6760 -12.3473 -12.3473 -12.3336 -12.3336 -12.3059 -12.3059 -12.2672 -12.2672 3.7301 3.7301 4.1600 4.1600 4.1824 4.1824 4.3508 4.3508 4.9210 4.9210 5.3672 5.3672 5.8421 5.8421 6.2668 6.2668 6.3006 6.3006 6.3906 6.3906 6.4693 6.4693 8.2411 8.2411 8.4901 8.4901 10.0230 10.0230 10.6483 10.6483 11.1516 11.1516 12.6590 12.6590 k = 0.2005 0.5607-0.0000 ( 3574 PWs) bands (ev): -31.4067 -31.4067 -31.3976 -31.3976 -12.7107 -12.7107 -12.6775 -12.6775 -12.3473 -12.3473 -12.3341 -12.3341 -12.3067 -12.3067 -12.2680 -12.2680 3.7523 3.7523 4.1614 4.1614 4.1862 4.1862 4.3482 4.3482 4.9500 4.9500 5.3626 5.3626 5.8545 5.8545 6.2933 6.2933 6.3210 6.3210 6.3884 6.3884 6.4718 6.4718 8.2092 8.2092 8.4475 8.4475 9.9689 9.9689 10.6258 10.6258 11.1532 11.1532 12.6380 12.6380 k = 0.2068 0.5782-0.0000 ( 3580 PWs) bands (ev): -31.4064 -31.4064 -31.3977 -31.3977 -12.7105 -12.7105 -12.6790 -12.6790 -12.3473 -12.3473 -12.3346 -12.3346 -12.3074 -12.3074 -12.2688 -12.2688 3.7725 3.7725 4.1625 4.1625 4.1902 4.1902 4.3455 4.3455 4.9765 4.9765 5.3583 5.3583 5.8671 5.8671 6.3110 6.3110 6.3465 6.3465 6.3876 6.3876 6.4779 6.4779 8.1507 8.1507 8.4259 8.4259 9.9250 9.9250 10.6066 10.6066 11.1574 11.1574 12.6187 12.6187 k = 0.2131 0.5957-0.0000 ( 3584 PWs) bands (ev): -31.4061 -31.4061 -31.3979 -31.3979 -12.7102 -12.7102 -12.6804 -12.6804 -12.3472 -12.3472 -12.3351 -12.3351 -12.3078 -12.3078 -12.2697 -12.2697 3.7907 3.7907 4.1633 4.1633 4.1942 4.1942 4.3429 4.3429 5.0002 5.0002 5.3543 5.3543 5.8793 5.8793 6.3210 6.3210 6.3655 6.3655 6.3958 6.3958 6.4896 6.4896 8.0793 8.0793 8.4113 8.4113 9.8937 9.8937 10.5907 10.5907 11.1640 11.1640 12.6013 12.6013 k = 0.2193 0.6132-0.0000 ( 3592 PWs) bands (ev): -31.4058 -31.4058 -31.3980 -31.3980 -12.7099 -12.7099 -12.6817 -12.6817 -12.3471 -12.3471 -12.3354 -12.3354 -12.3082 -12.3082 -12.2706 -12.2706 3.8071 3.8071 4.1639 4.1639 4.1982 4.1982 4.3403 4.3403 5.0208 5.0208 5.3505 5.3505 5.8911 5.8911 6.3264 6.3264 6.3673 6.3673 6.4160 6.4160 6.5105 6.5105 8.0056 8.0056 8.3932 8.3932 9.8766 9.8766 10.5780 10.5780 11.1729 11.1729 12.5858 12.5858 k = 0.2256 0.6307-0.0000 ( 3598 PWs) bands (ev): -31.4055 -31.4055 -31.3982 -31.3982 -12.7095 -12.7095 -12.6829 -12.6829 -12.3471 -12.3471 -12.3358 -12.3358 -12.3083 -12.3083 -12.2715 -12.2715 3.8215 3.8215 4.1643 4.1643 4.2021 4.2021 4.3377 4.3377 5.0383 5.0383 5.3472 5.3472 5.9021 5.9021 6.3283 6.3283 6.3636 6.3636 6.4323 6.4323 6.5419 6.5419 7.9358 7.9358 8.3666 8.3666 9.8749 9.8749 10.5688 10.5688 11.1837 11.1837 12.5724 12.5724 k = 0.2318 0.6483-0.0000 ( 3586 PWs) bands (ev): -31.4053 -31.4053 -31.3983 -31.3983 -12.7089 -12.7089 -12.6840 -12.6840 -12.3469 -12.3469 -12.3360 -12.3360 -12.3082 -12.3082 -12.2724 -12.2724 3.8342 3.8342 4.1646 4.1646 4.2060 4.2060 4.3354 4.3354 5.0526 5.0526 5.3441 5.3441 5.9122 5.9122 6.3268 6.3268 6.3591 6.3591 6.4419 6.4419 6.5797 6.5797 7.8744 7.8744 8.3296 8.3296 9.8885 9.8885 10.5632 10.5632 11.1964 11.1964 12.5610 12.5610 k = 0.2381 0.6658-0.0000 ( 3586 PWs) bands (ev): -31.4050 -31.4050 -31.3985 -31.3985 -12.7084 -12.7084 -12.6850 -12.6850 -12.3467 -12.3467 -12.3361 -12.3361 -12.3081 -12.3081 -12.2733 -12.2733 3.8451 3.8451 4.1648 4.1648 4.2097 4.2097 4.3331 4.3331 5.0636 5.0636 5.3415 5.3415 5.9213 5.9213 6.3218 6.3218 6.3550 6.3550 6.4467 6.4467 6.6180 6.6180 7.8255 7.8255 8.2823 8.2823 9.9162 9.9162 10.5616 10.5616 11.2108 11.2108 12.5515 12.5515 k = 0.2444 0.6833-0.0000 ( 3582 PWs) bands (ev): -31.4048 -31.4048 -31.3987 -31.3987 -12.7078 -12.7078 -12.6859 -12.6859 -12.3465 -12.3465 -12.3361 -12.3361 -12.3079 -12.3079 -12.2743 -12.2743 3.8544 3.8544 4.1649 4.1649 4.2132 4.2132 4.3311 4.3311 5.0716 5.0716 5.3392 5.3392 5.9291 5.9291 6.3130 6.3130 6.3518 6.3518 6.4481 6.4481 6.6518 6.6518 7.7930 7.7930 8.2256 8.2256 9.9560 9.9560 10.5647 10.5647 11.2266 11.2266 12.5441 12.5441 k = 0.2506 0.7008-0.0000 ( 3586 PWs) bands (ev): -31.4046 -31.4046 -31.3989 -31.3989 -12.7071 -12.7071 -12.6867 -12.6867 -12.3462 -12.3462 -12.3359 -12.3359 -12.3075 -12.3075 -12.2752 -12.2752 3.8622 3.8622 4.1649 4.1649 4.2164 4.2164 4.3293 4.3293 5.0764 5.0764 5.3374 5.3374 5.9357 5.9357 6.3009 6.3009 6.3493 6.3493 6.4466 6.4466 6.6772 6.6772 7.7803 7.7803 8.1613 8.1613 10.0052 10.0052 10.5734 10.5734 11.2437 11.2437 12.5385 12.5385 k = 0.2569 0.7183-0.0000 ( 3590 PWs) bands (ev): -31.4044 -31.4044 -31.3991 -31.3991 -12.7064 -12.7064 -12.6874 -12.6874 -12.3460 -12.3460 -12.3356 -12.3356 -12.3071 -12.3071 -12.2762 -12.2762 3.8683 3.8683 4.1649 4.1649 4.2194 4.2194 4.3278 4.3278 5.0782 5.0782 5.3360 5.3360 5.9408 5.9408 6.2856 6.2856 6.3473 6.3473 6.4425 6.4425 6.6919 6.6919 7.7896 7.7896 8.0913 8.0913 10.0605 10.0605 10.5890 10.5890 11.2620 11.2620 12.5349 12.5349 k = 0.2632 0.7359-0.0000 ( 3582 PWs) bands (ev): -31.4042 -31.4042 -31.3993 -31.3993 -12.7056 -12.7056 -12.6879 -12.6879 -12.3457 -12.3457 -12.3352 -12.3352 -12.3067 -12.3067 -12.2772 -12.2772 3.8731 3.8731 4.1648 4.1648 4.2220 4.2220 4.3265 4.3265 5.0769 5.0769 5.3352 5.3352 5.9442 5.9442 6.2673 6.2673 6.3457 6.3457 6.4358 6.4358 6.6956 6.6956 7.8203 7.8203 8.0184 8.0184 10.1184 10.1184 10.6135 10.6135 11.2812 11.2812 12.5331 12.5331 k = 0.2694 0.7534-0.0000 ( 3578 PWs) bands (ev): -31.4040 -31.4040 -31.3995 -31.3995 -12.7047 -12.7047 -12.6884 -12.6884 -12.3453 -12.3453 -12.3345 -12.3345 -12.3061 -12.3061 -12.2782 -12.2782 3.8764 3.8764 4.1647 4.1647 4.2243 4.2243 4.3256 4.3256 5.0727 5.0727 5.3348 5.3348 5.9457 5.9457 6.2462 6.2462 6.3442 6.3442 6.4265 6.4265 6.6898 6.6898 7.8625 7.8625 7.9528 7.9528 10.1749 10.1749 10.6489 10.6489 11.3013 11.3013 12.5331 12.5331 k = 0.2757 0.7709-0.0000 ( 3582 PWs) bands (ev): -31.4039 -31.4039 -31.3998 -31.3998 -12.7038 -12.7038 -12.6888 -12.6888 -12.3450 -12.3450 -12.3338 -12.3338 -12.3056 -12.3056 -12.2791 -12.2791 3.8783 3.8783 4.1646 4.1646 4.2263 4.2263 4.3249 4.3249 5.0655 5.0655 5.3350 5.3350 5.9448 5.9448 6.2227 6.2227 6.3429 6.3429 6.4148 6.4148 6.6773 6.6773 7.8392 7.8392 7.9697 7.9697 10.2267 10.2267 10.6973 10.6973 11.3220 11.3220 12.5348 12.5348 k = 0.2820 0.7884-0.0000 ( 3586 PWs) bands (ev): -31.4037 -31.4037 -31.4000 -31.4000 -12.7029 -12.7029 -12.6890 -12.6890 -12.3446 -12.3446 -12.3329 -12.3329 -12.3050 -12.3050 -12.2801 -12.2801 3.8788 3.8788 4.1645 4.1645 4.2279 4.2279 4.3246 4.3246 5.0554 5.0554 5.3357 5.3357 5.9411 5.9411 6.1976 6.1976 6.3418 6.3418 6.4007 6.4007 6.6610 6.6610 7.7648 7.7648 8.0530 8.0530 10.2717 10.2717 10.7594 10.7594 11.3434 11.3434 12.5382 12.5382 k = 0.2820 0.7884-0.0000 ( 3586 PWs) bands (ev): -31.4037 -31.4037 -31.4000 -31.4000 -12.7029 -12.7029 -12.6890 -12.6890 -12.3446 -12.3446 -12.3329 -12.3329 -12.3050 -12.3050 -12.2801 -12.2801 3.8788 3.8788 4.1645 4.1645 4.2279 4.2279 4.3246 4.3246 5.0554 5.0554 5.3357 5.3357 5.9411 5.9411 6.1976 6.1976 6.3418 6.3418 6.4007 6.4007 6.6610 6.6610 7.7648 7.7648 8.0530 8.0530 10.2717 10.2717 10.7594 10.7594 11.3434 11.3434 12.5382 12.5382 k = 0.2644 0.7884-0.0000 ( 3582 PWs) bands (ev): -31.4038 -31.4038 -31.3999 -31.3999 -12.7032 -12.7032 -12.6889 -12.6889 -12.3447 -12.3447 -12.3331 -12.3331 -12.3052 -12.3052 -12.2798 -12.2798 3.8786 3.8786 4.1645 4.1645 4.2274 4.2274 4.3247 4.3247 5.0589 5.0589 5.3355 5.3355 5.9425 5.9425 6.2062 6.2062 6.3422 6.3422 6.4053 6.4053 6.6662 6.6662 7.7773 7.7773 8.0388 8.0388 10.2570 10.2570 10.7356 10.7356 11.3365 11.3365 12.5351 12.5351 k = 0.2467 0.7884-0.0000 ( 3586 PWs) bands (ev): -31.4038 -31.4038 -31.3998 -31.3998 -12.7036 -12.7036 -12.6888 -12.6888 -12.3450 -12.3450 -12.3333 -12.3333 -12.3056 -12.3056 -12.2793 -12.2793 3.8780 3.8780 4.1647 4.1647 4.2266 4.2266 4.3249 4.3249 5.0622 5.0622 5.3353 5.3353 5.9435 5.9435 6.2156 6.2156 6.3428 6.3428 6.4094 6.4094 6.6707 6.6707 7.7616 7.7616 8.0595 8.0595 10.2387 10.2387 10.7087 10.7087 11.3296 11.3296 12.5286 12.5286 k = 0.2291 0.7884-0.0000 ( 3582 PWs) bands (ev): -31.4039 -31.4039 -31.3997 -31.3997 -12.7039 -12.7039 -12.6886 -12.6886 -12.3452 -12.3452 -12.3334 -12.3334 -12.3059 -12.3059 -12.2789 -12.2789 3.8770 3.8770 4.1648 4.1648 4.2257 4.2257 4.3252 4.3252 5.0653 5.0653 5.3352 5.3352 5.9442 5.9442 6.2258 6.2258 6.3436 6.3436 6.4131 6.4131 6.6746 6.6746 7.7256 7.7256 8.1070 8.1070 10.2160 10.2160 10.6803 10.6803 11.3229 11.3229 12.5189 12.5189 k = 0.2115 0.7884-0.0000 ( 3584 PWs) bands (ev): -31.4040 -31.4040 -31.3996 -31.3996 -12.7043 -12.7043 -12.6885 -12.6885 -12.3455 -12.3455 -12.3335 -12.3335 -12.3064 -12.3064 -12.2783 -12.2783 3.8757 3.8757 4.1650 4.1650 4.2247 4.2247 4.3255 4.3255 5.0681 5.0681 5.3352 5.3352 5.9445 5.9445 6.2366 6.2366 6.3444 6.3444 6.4161 6.4161 6.6780 6.6780 7.6808 7.6808 8.1695 8.1695 10.1876 10.1876 10.6517 10.6517 11.3166 11.3166 12.5063 12.5063 k = 0.1939 0.7884-0.0000 ( 3587 PWs) bands (ev): -31.4041 -31.4041 -31.3995 -31.3995 -12.7046 -12.7046 -12.6883 -12.6883 -12.3458 -12.3458 -12.3334 -12.3334 -12.3068 -12.3068 -12.2778 -12.2778 3.8742 3.8742 4.1653 4.1653 4.2235 4.2235 4.3258 4.3258 5.0708 5.0708 5.3352 5.3352 5.9446 5.9446 6.2479 6.2479 6.3454 6.3454 6.4185 6.4185 6.6810 6.6810 7.6335 7.6335 8.2405 8.2405 10.1527 10.1527 10.6246 10.6246 11.3107 11.3107 12.4914 12.4914 k = 0.1762 0.7884-0.0000 ( 3587 PWs) bands (ev): -31.4041 -31.4041 -31.3994 -31.3994 -12.7049 -12.7049 -12.6881 -12.6881 -12.3462 -12.3462 -12.3334 -12.3334 -12.3073 -12.3073 -12.2773 -12.2773 3.8725 3.8725 4.1656 4.1656 4.2223 4.2223 4.3262 4.3262 5.0733 5.0733 5.3352 5.3352 5.9445 5.9445 6.2597 6.2597 6.3465 6.3465 6.4203 6.4203 6.6836 6.6836 7.5866 7.5866 8.3170 8.3170 10.1107 10.1107 10.6002 10.6002 11.3053 11.3053 12.4748 12.4748 k = 0.1586 0.7884-0.0000 ( 3586 PWs) bands (ev): -31.4042 -31.4042 -31.3993 -31.3993 -12.7052 -12.7052 -12.6880 -12.6880 -12.3465 -12.3465 -12.3332 -12.3332 -12.3078 -12.3078 -12.2768 -12.2768 3.8708 3.8708 4.1659 4.1659 4.2210 4.2210 4.3266 4.3266 5.0756 5.0756 5.3353 5.3353 5.9443 5.9443 6.2716 6.2716 6.3478 6.3478 6.4213 6.4213 6.6858 6.6858 7.5417 7.5417 8.3971 8.3971 10.0613 10.0613 10.5791 10.5791 11.3005 11.3005 12.4573 12.4573 k = 0.1410 0.7884-0.0000 ( 3592 PWs) bands (ev): -31.4043 -31.4043 -31.3992 -31.3992 -12.7056 -12.7056 -12.6878 -12.6878 -12.3468 -12.3468 -12.3331 -12.3331 -12.3083 -12.3083 -12.2763 -12.2763 3.8691 3.8691 4.1663 4.1663 4.2198 4.2198 4.3270 4.3270 5.0777 5.0777 5.3353 5.3353 5.9441 5.9441 6.2837 6.2837 6.3491 6.3491 6.4215 6.4215 6.6877 6.6877 7.4996 7.4996 8.4796 8.4796 10.0051 10.0051 10.5618 10.5618 11.2964 11.2964 12.4395 12.4395 k = 0.1234 0.7884-0.0000 ( 3584 PWs) bands (ev): -31.4044 -31.4044 -31.3991 -31.3991 -12.7058 -12.7058 -12.6876 -12.6876 -12.3471 -12.3471 -12.3329 -12.3329 -12.3087 -12.3087 -12.2758 -12.2758 3.8674 3.8674 4.1667 4.1667 4.2185 4.2185 4.3273 4.3273 5.0797 5.0797 5.3354 5.3354 5.9439 5.9439 6.2955 6.2955 6.3507 6.3507 6.4209 6.4209 6.6894 6.6894 7.4611 7.4611 8.5635 8.5635 9.9430 9.9430 10.5480 10.5480 11.2930 11.2930 12.4222 12.4222 k = 0.1057 0.7884-0.0000 ( 3582 PWs) bands (ev): -31.4044 -31.4044 -31.3991 -31.3991 -12.7060 -12.7060 -12.6875 -12.6875 -12.3474 -12.3474 -12.3327 -12.3327 -12.3091 -12.3091 -12.2754 -12.2754 3.8659 3.8659 4.1671 4.1671 4.2174 4.2174 4.3277 4.3277 5.0814 5.0814 5.3355 5.3355 5.9436 5.9436 6.3068 6.3068 6.3527 6.3527 6.4193 6.4193 6.6909 6.6909 7.4266 7.4266 8.6477 8.6477 9.8765 9.8765 10.5373 10.5373 11.2901 11.2901 12.4059 12.4059 k = 0.0881 0.7884-0.0000 ( 3580 PWs) bands (ev): -31.4045 -31.4045 -31.3990 -31.3990 -12.7062 -12.7062 -12.6874 -12.6874 -12.3476 -12.3476 -12.3326 -12.3326 -12.3095 -12.3095 -12.2750 -12.2750 3.8645 3.8645 4.1675 4.1675 4.2163 4.2163 4.3280 4.3280 5.0830 5.0830 5.3356 5.3356 5.9433 5.9433 6.3171 6.3171 6.3554 6.3554 6.4168 6.4168 6.6922 6.6922 7.3965 7.3965 8.7308 8.7308 9.8073 9.8073 10.5293 10.5293 11.2879 11.2879 12.3911 12.3911 k = 0.0705 0.7884-0.0000 ( 3568 PWs) bands (ev): -31.4045 -31.4045 -31.3989 -31.3989 -12.7063 -12.7063 -12.6873 -12.6873 -12.3478 -12.3478 -12.3324 -12.3324 -12.3098 -12.3098 -12.2747 -12.2747 3.8632 3.8632 4.1678 4.1678 4.2154 4.2154 4.3282 4.3282 5.0843 5.0843 5.3357 5.3357 5.9431 5.9431 6.3258 6.3258 6.3592 6.3592 6.4134 6.4134 6.6932 6.6932 7.3713 7.3713 8.8109 8.8109 9.7379 9.7379 10.5234 10.5234 11.2861 11.2861 12.3784 12.3784 k = 0.0529 0.7884-0.0000 ( 3561 PWs) bands (ev): -31.4045 -31.4045 -31.3989 -31.3989 -12.7064 -12.7064 -12.6872 -12.6872 -12.3479 -12.3479 -12.3322 -12.3322 -12.3100 -12.3100 -12.2744 -12.2744 3.8623 3.8623 4.1681 4.1681 4.2146 4.2146 4.3284 4.3284 5.0853 5.0853 5.3357 5.3357 5.9430 5.9430 6.3321 6.3321 6.3645 6.3645 6.4090 6.4090 6.6941 6.6941 7.3513 7.3513 8.8851 8.8851 9.6716 9.6716 10.5192 10.5192 11.2849 11.2849 12.3681 12.3681 k = 0.0352 0.7884-0.0000 ( 3559 PWs) bands (ev): -31.4046 -31.4046 -31.3988 -31.3988 -12.7065 -12.7065 -12.6871 -12.6871 -12.3480 -12.3480 -12.3321 -12.3321 -12.3102 -12.3102 -12.2742 -12.2742 3.8615 3.8615 4.1683 4.1683 4.2140 4.2140 4.3286 4.3286 5.0860 5.0860 5.3358 5.3358 5.9428 5.9428 6.3360 6.3360 6.3710 6.3710 6.4038 6.4038 6.6947 6.6947 7.3368 7.3368 8.9484 8.9484 9.6137 9.6137 10.5164 10.5164 11.2840 11.2840 12.3605 12.3605 k = 0.0176 0.7884-0.0000 ( 3563 PWs) bands (ev): -31.4046 -31.4046 -31.3988 -31.3988 -12.7066 -12.7066 -12.6871 -12.6871 -12.3481 -12.3481 -12.3321 -12.3321 -12.3103 -12.3103 -12.2741 -12.2741 3.8611 3.8611 4.1684 4.1684 4.2137 4.2137 4.3287 4.3287 5.0865 5.0865 5.3358 5.3358 5.9428 5.9428 6.3381 6.3381 6.3775 6.3775 6.3985 6.3985 6.6950 6.6950 7.3280 7.3280 8.9930 8.9930 9.5722 9.5722 10.5149 10.5149 11.2835 11.2835 12.3559 12.3559 k = 0.0000 0.7884-0.0000 ( 3562 PWs) bands (ev): -31.4046 -31.4046 -31.3988 -31.3988 -12.7066 -12.7066 -12.6871 -12.6871 -12.3482 -12.3482 -12.3321 -12.3321 -12.3104 -12.3104 -12.2741 -12.2741 3.8609 3.8609 4.1685 4.1685 4.2136 4.2136 4.3287 4.3287 5.0866 5.0866 5.3358 5.3358 5.9427 5.9427 6.3387 6.3387 6.3810 6.3810 6.3956 6.3956 6.6952 6.6952 7.3251 7.3251 9.0095 9.0095 9.5568 9.5568 10.5143 10.5143 11.2833 11.2833 12.3543 12.3543 k = 0.0000 0.7884-0.0000 ( 3562 PWs) bands (ev): -31.4046 -31.4046 -31.3988 -31.3988 -12.7066 -12.7066 -12.6871 -12.6871 -12.3482 -12.3482 -12.3321 -12.3321 -12.3104 -12.3104 -12.2741 -12.2741 3.8609 3.8609 4.1685 4.1685 4.2136 4.2136 4.3287 4.3287 5.0866 5.0866 5.3358 5.3358 5.9427 5.9427 6.3387 6.3387 6.3810 6.3810 6.3956 6.3956 6.6952 6.6952 7.3251 7.3251 9.0095 9.0095 9.5568 9.5568 10.5143 10.5143 11.2833 11.2833 12.3543 12.3543 k = 0.0000 0.7884 0.0184 ( 3560 PWs) bands (ev): -31.4046 -31.4046 -31.3988 -31.3988 -12.7066 -12.7066 -12.6871 -12.6871 -12.3482 -12.3482 -12.3320 -12.3320 -12.3104 -12.3104 -12.2741 -12.2741 3.8613 3.8613 4.1681 4.1681 4.2143 4.2143 4.3286 4.3286 5.0857 5.0857 5.3373 5.3373 5.9420 5.9420 6.3339 6.3339 6.3785 6.3785 6.4031 6.4031 6.6945 6.6945 7.3274 7.3274 9.0076 9.0076 9.5578 9.5578 10.5143 10.5143 11.2814 11.2814 12.3526 12.3526 k = 0.0000 0.7884 0.0367 ( 3562 PWs) bands (ev): -31.4046 -31.4046 -31.3988 -31.3988 -12.7065 -12.7065 -12.6871 -12.6871 -12.3483 -12.3483 -12.3319 -12.3319 -12.3104 -12.3104 -12.2741 -12.2741 3.8625 3.8625 4.1671 4.1671 4.2164 4.2164 4.3282 4.3282 5.0830 5.0830 5.3417 5.3417 5.9399 5.9399 6.3219 6.3219 6.3766 6.3766 6.4178 6.4178 6.6924 6.6924 7.3345 7.3345 9.0019 9.0019 9.5608 9.5608 10.5142 10.5142 11.2755 11.2755 12.3476 12.3476 k = 0.0000 0.7884 0.0551 ( 3562 PWs) bands (ev): -31.4046 -31.4046 -31.3988 -31.3988 -12.7065 -12.7065 -12.6871 -12.6871 -12.3484 -12.3484 -12.3317 -12.3317 -12.3104 -12.3104 -12.2742 -12.2742 3.8645 3.8645 4.1656 4.1656 4.2197 4.2197 4.3276 4.3276 5.0788 5.0788 5.3488 5.3488 5.9364 5.9364 6.3068 6.3068 6.3762 6.3762 6.4347 6.4347 6.6891 6.6891 7.3460 7.3460 8.9927 8.9927 9.5657 9.5657 10.5140 10.5140 11.2658 11.2658 12.3392 12.3392 k = 0.0000 0.7884 0.0734 ( 3566 PWs) bands (ev): -31.4045 -31.4045 -31.3989 -31.3989 -12.7064 -12.7064 -12.6872 -12.6872 -12.3486 -12.3486 -12.3315 -12.3315 -12.3105 -12.3105 -12.2743 -12.2743 3.8672 3.8672 4.1638 4.1638 4.2240 4.2240 4.3268 4.3268 5.0734 5.0734 5.3582 5.3582 5.9316 5.9316 6.2904 6.2904 6.3766 6.3766 6.4524 6.4524 6.6848 6.6848 7.3615 7.3615 8.9801 8.9801 9.5726 9.5726 10.5137 10.5137 11.2524 11.2524 12.3277 12.3277 k = 0.0000 0.7884 0.0918 ( 3566 PWs) bands (ev): -31.4045 -31.4045 -31.3989 -31.3989 -12.7064 -12.7064 -12.6873 -12.6873 -12.3488 -12.3488 -12.3312 -12.3312 -12.3106 -12.3106 -12.2745 -12.2745 3.8707 3.8707 4.1618 4.1618 4.2290 4.2290 4.3258 4.3258 5.0673 5.0673 5.3696 5.3696 5.9257 5.9257 6.2736 6.2736 6.3775 6.3775 6.4705 6.4705 6.6798 6.6798 7.3808 7.3808 8.9644 8.9644 9.5813 9.5813 10.5134 10.5134 11.2356 11.2356 12.3130 12.3130 k = 0.0000 0.7884 0.1102 ( 3572 PWs) bands (ev): -31.4045 -31.4045 -31.3989 -31.3989 -12.7063 -12.7063 -12.6874 -12.6874 -12.3491 -12.3491 -12.3308 -12.3308 -12.3106 -12.3106 -12.2747 -12.2747 3.8749 3.8749 4.1597 4.1597 4.2344 4.2344 4.3249 4.3249 5.0606 5.0606 5.3826 5.3826 5.9189 5.9189 6.2567 6.2567 6.3786 6.3786 6.4885 6.4885 6.6743 6.6743 7.4032 7.4032 8.9461 8.9461 9.5918 9.5918 10.5130 10.5130 11.2155 11.2155 12.2954 12.2954 k = 0.0000 0.7884 0.1285 ( 3576 PWs) bands (ev): -31.4044 -31.4044 -31.3989 -31.3989 -12.7062 -12.7062 -12.6875 -12.6875 -12.3494 -12.3494 -12.3305 -12.3305 -12.3107 -12.3107 -12.2749 -12.2749 3.8797 3.8797 4.1576 4.1576 4.2402 4.2402 4.3240 4.3240 5.0539 5.0539 5.3968 5.3968 5.9112 5.9112 6.2400 6.2400 6.3798 6.3798 6.5063 6.5063 6.6688 6.6688 7.4283 7.4283 8.9255 8.9255 9.6040 9.6040 10.5125 10.5125 11.1925 11.1925 12.2748 12.2748 k = 0.0000 0.7884 0.1469 ( 3572 PWs) bands (ev): -31.4044 -31.4044 -31.3990 -31.3990 -12.7060 -12.7060 -12.6876 -12.6876 -12.3496 -12.3496 -12.3301 -12.3301 -12.3107 -12.3107 -12.2752 -12.2752 3.8852 3.8852 4.1556 4.1556 4.2459 4.2459 4.3234 4.3234 5.0474 5.0474 5.4119 5.4119 5.9028 5.9028 6.2235 6.2235 6.3812 6.3812 6.5235 6.5235 6.6635 6.6635 7.4553 7.4553 8.9032 8.9032 9.6178 9.6178 10.5120 10.5120 11.1667 11.1667 12.2517 12.2517 k = 0.0000 0.7884 0.1652 ( 3576 PWs) bands (ev): -31.4043 -31.4043 -31.3990 -31.3990 -12.7059 -12.7059 -12.6877 -12.6877 -12.3499 -12.3499 -12.3298 -12.3298 -12.3107 -12.3107 -12.2755 -12.2755 3.8913 3.8913 4.1537 4.1537 4.2513 4.2513 4.3233 4.3233 5.0414 5.0414 5.4278 5.4278 5.8939 5.8939 6.2074 6.2074 6.3825 6.3825 6.5397 6.5397 6.6591 6.6591 7.4836 7.4836 8.8797 8.8797 9.6332 9.6332 10.5114 10.5114 11.1385 11.1385 12.2261 12.2261 k = 0.0000 0.7884 0.1836 ( 3574 PWs) bands (ev): -31.4043 -31.4043 -31.3991 -31.3991 -12.7057 -12.7057 -12.6879 -12.6879 -12.3502 -12.3502 -12.3295 -12.3295 -12.3107 -12.3107 -12.2758 -12.2758 3.8980 3.8980 4.1518 4.1518 4.2562 4.2562 4.3239 4.3239 5.0360 5.0360 5.4441 5.4441 5.8846 5.8846 6.1915 6.1915 6.3838 6.3838 6.5543 6.5543 6.6563 6.6563 7.5124 7.5124 8.8558 8.8558 9.6500 9.6500 10.5108 10.5108 11.1082 11.1082 12.1985 12.1985 k = 0.0000 0.7884 0.2020 ( 3570 PWs) bands (ev): -31.4042 -31.4042 -31.3991 -31.3991 -12.7055 -12.7055 -12.6881 -12.6881 -12.3504 -12.3504 -12.3293 -12.3293 -12.3106 -12.3106 -12.2762 -12.2762 3.9052 3.9052 4.1500 4.1500 4.2602 4.2602 4.3253 4.3253 5.0317 5.0317 5.4607 5.4607 5.8752 5.8752 6.1761 6.1761 6.3850 6.3850 6.5663 6.5663 6.6560 6.6560 7.5411 7.5411 8.8322 8.8322 9.6684 9.6684 10.5102 10.5102 11.0759 11.0759 12.1690 12.1690 k = 0.0000 0.7884 0.2203 ( 3570 PWs) bands (ev): -31.4041 -31.4041 -31.3991 -31.3991 -12.7053 -12.7053 -12.6883 -12.6883 -12.3506 -12.3506 -12.3291 -12.3291 -12.3104 -12.3104 -12.2766 -12.2766 3.9128 3.9128 4.1483 4.1483 4.2630 4.2630 4.3278 4.3278 5.0284 5.0284 5.4773 5.4773 5.8656 5.8656 6.1610 6.1610 6.3862 6.3862 6.5749 6.5749 6.6592 6.6592 7.5687 7.5687 8.8098 8.8098 9.6880 9.6880 10.5095 10.5095 11.0421 11.0421 12.1379 12.1379 k = 0.0000 0.7884 0.2387 ( 3574 PWs) bands (ev): -31.4040 -31.4040 -31.3992 -31.3992 -12.7051 -12.7051 -12.6885 -12.6885 -12.3507 -12.3507 -12.3290 -12.3290 -12.3102 -12.3102 -12.2770 -12.2770 3.9209 3.9209 4.1466 4.1466 4.2647 4.2647 4.3312 4.3312 5.0265 5.0265 5.4939 5.4939 5.8562 5.8562 6.1462 6.1462 6.3873 6.3873 6.5794 6.5794 6.6666 6.6666 7.5944 7.5944 8.7895 8.7895 9.7089 9.7089 10.5089 10.5089 11.0070 11.0070 12.1056 12.1056 k = 0.0000 0.7884 0.2570 ( 3578 PWs) bands (ev): -31.4039 -31.4039 -31.3993 -31.3993 -12.7048 -12.7048 -12.6887 -12.6887 -12.3509 -12.3509 -12.3290 -12.3290 -12.3100 -12.3100 -12.2775 -12.2775 3.9293 3.9293 4.1450 4.1450 4.2654 4.2654 4.3354 4.3354 5.0262 5.0262 5.5102 5.5102 5.8468 5.8468 6.1319 6.1319 6.3884 6.3884 6.5804 6.5804 6.6776 6.6776 7.6170 7.6170 8.7724 8.7724 9.7309 9.7309 10.5083 10.5083 10.9709 10.9709 12.0723 12.0723 k = 0.0000 0.7884 0.2754 ( 3574 PWs) bands (ev): -31.4038 -31.4038 -31.3993 -31.3993 -12.7046 -12.7046 -12.6889 -12.6889 -12.3510 -12.3510 -12.3290 -12.3290 -12.3096 -12.3096 -12.2780 -12.2780 3.9379 3.9379 4.1434 4.1434 4.2653 4.2653 4.3400 4.3400 5.0275 5.0275 5.5260 5.5260 5.8378 5.8378 6.1178 6.1178 6.3896 6.3896 6.5792 6.5792 6.6911 6.6911 7.6357 7.6357 8.7595 8.7595 9.7538 9.7538 10.5076 10.5076 10.9342 10.9342 12.0383 12.0383 k = 0.0000 0.7884 0.2938 ( 3572 PWs) bands (ev): -31.4037 -31.4037 -31.3994 -31.3994 -12.7043 -12.7043 -12.6892 -12.6892 -12.3511 -12.3511 -12.3292 -12.3292 -12.3092 -12.3092 -12.2785 -12.2785 3.9468 3.9468 4.1419 4.1419 4.2646 4.2646 4.3446 4.3446 5.0308 5.0308 5.5411 5.5411 5.8291 5.8291 6.1041 6.1041 6.3907 6.3907 6.5766 6.5766 6.7061 6.7061 7.6495 7.6495 8.7519 8.7519 9.7775 9.7775 10.5067 10.5067 10.8971 10.8971 12.0041 12.0041 k = 0.0000 0.7884 0.3121 ( 3580 PWs) bands (ev): -31.4037 -31.4037 -31.3995 -31.3995 -12.7040 -12.7040 -12.6895 -12.6895 -12.3511 -12.3511 -12.3295 -12.3295 -12.3087 -12.3087 -12.2790 -12.2790 3.9559 3.9559 4.1404 4.1404 4.2635 4.2635 4.3489 4.3489 5.0360 5.0360 5.5553 5.5553 5.8209 5.8209 6.0906 6.0906 6.3920 6.3920 6.5732 6.5732 6.7220 6.7220 7.6575 7.6575 8.7505 8.7505 9.8016 9.8016 10.5055 10.5055 10.8602 10.8602 11.9698 11.9698 k = 0.0000 0.7884 0.3305 ( 3584 PWs) bands (ev): -31.4035 -31.4035 -31.3996 -31.3996 -12.7037 -12.7037 -12.6898 -12.6898 -12.3511 -12.3511 -12.3298 -12.3298 -12.3081 -12.3081 -12.2796 -12.2796 3.9651 3.9651 4.1388 4.1388 4.2624 4.2624 4.3527 4.3527 5.0434 5.0434 5.5684 5.5684 5.8135 5.8135 6.0774 6.0774 6.3935 6.3935 6.5695 6.5695 6.7385 6.7385 7.6591 7.6591 8.7559 8.7559 9.8259 9.8259 10.5038 10.5038 10.8241 10.8241 11.9358 11.9358 k = 0.0000 0.7884 0.3488 ( 3582 PWs) bands (ev): -31.4034 -31.4034 -31.3996 -31.3996 -12.7034 -12.7034 -12.6901 -12.6901 -12.3510 -12.3510 -12.3303 -12.3303 -12.3074 -12.3074 -12.2802 -12.2802 3.9743 3.9743 4.1373 4.1373 4.2612 4.2612 4.3556 4.3556 5.0530 5.0530 5.5799 5.5799 5.8069 5.8069 6.0643 6.0643 6.3953 6.3953 6.5656 6.5656 6.7555 6.7555 7.6542 7.6542 8.7685 8.7685 9.8498 9.8498 10.5014 10.5014 10.7893 10.7893 11.9023 11.9023 k = 0.0000 0.7884 0.3672 ( 3578 PWs) bands (ev): -31.4033 -31.4033 -31.3997 -31.3997 -12.7031 -12.7031 -12.6904 -12.6904 -12.3509 -12.3509 -12.3308 -12.3308 -12.3067 -12.3067 -12.2808 -12.2808 3.9836 3.9836 4.1357 4.1357 4.2603 4.2603 4.3577 4.3577 5.0647 5.0647 5.5896 5.5896 5.8014 5.8014 6.0515 6.0515 6.3975 6.3975 6.5616 6.5616 6.7727 6.7727 7.6427 7.6427 8.7884 8.7884 9.8727 9.8727 10.4979 10.4979 10.7569 10.7569 11.8696 11.8696 k = 0.0000 0.7884 0.3856 ( 3562 PWs) bands (ev): -31.4032 -31.4032 -31.3998 -31.3998 -12.7027 -12.7027 -12.6907 -12.6907 -12.3506 -12.3506 -12.3314 -12.3314 -12.3059 -12.3059 -12.2814 -12.2814 3.9928 3.9928 4.1341 4.1341 4.2595 4.2595 4.3588 4.3588 5.0787 5.0787 5.5971 5.5971 5.7974 5.7974 6.0388 6.0388 6.4001 6.4001 6.5576 6.5576 6.7903 6.7903 7.6251 7.6251 8.8152 8.8152 9.8938 9.8938 10.4929 10.4929 10.7277 10.7277 11.8381 11.8381 k = 0.0000 0.7884 0.4039 ( 3560 PWs) bands (ev): -31.4031 -31.4031 -31.3999 -31.3999 -12.7023 -12.7023 -12.6911 -12.6911 -12.3504 -12.3504 -12.3320 -12.3320 -12.3050 -12.3050 -12.2821 -12.2821 4.0018 4.0018 4.1324 4.1324 4.2591 4.2591 4.3589 4.3589 5.0949 5.0949 5.6018 5.6018 5.7950 5.7950 6.0262 6.0262 6.4032 6.4032 6.5536 6.5536 6.8083 6.8083 7.6020 7.6020 8.8484 8.8484 9.9121 9.9121 10.4864 10.4864 10.7026 10.7026 11.8078 11.8078 k = 0.0000 0.7884 0.4223 ( 3566 PWs) bands (ev): -31.4029 -31.4029 -31.4000 -31.4000 -12.7020 -12.7020 -12.6914 -12.6914 -12.3501 -12.3501 -12.3328 -12.3328 -12.3042 -12.3042 -12.2828 -12.2828 4.0108 4.0108 4.1306 4.1306 4.2591 4.2591 4.3579 4.3579 5.1130 5.1130 5.6035 5.6035 5.7945 5.7945 6.0138 6.0138 6.4069 6.4069 6.5495 6.5495 6.8267 6.8267 7.5741 7.5741 8.8873 8.8873 9.9264 9.9264 10.4787 10.4787 10.6822 10.6822 11.7791 11.7791 k = 0.0000 0.7884 0.4406 ( 3566 PWs) bands (ev): -31.4028 -31.4028 -31.4001 -31.4001 -12.7016 -12.7016 -12.6918 -12.6918 -12.3498 -12.3498 -12.3335 -12.3335 -12.3033 -12.3033 -12.2835 -12.2835 4.0195 4.0195 4.1287 4.1287 4.2595 4.2595 4.3559 4.3559 5.1331 5.1331 5.6019 5.6019 5.7960 5.7960 6.0015 6.0015 6.4112 6.4112 6.5454 6.5454 6.8457 6.8457 7.5425 7.5425 8.9311 8.9311 9.9351 9.9351 10.4709 10.4709 10.6667 10.6667 11.7522 11.7522 k = 0.0000 0.7884 0.4590 ( 3566 PWs) bands (ev): -31.4027 -31.4027 -31.4002 -31.4002 -12.7012 -12.7012 -12.6922 -12.6922 -12.3494 -12.3494 -12.3343 -12.3343 -12.3024 -12.3024 -12.2842 -12.2842 4.0279 4.0279 4.1267 4.1267 4.2605 4.2605 4.3530 4.3530 5.1549 5.1549 5.5971 5.5971 5.7993 5.7993 5.9894 5.9894 6.4161 6.4161 6.5411 6.5411 6.8653 6.8653 7.5078 7.5078 8.9791 8.9791 9.9367 9.9367 10.4647 10.4647 10.6555 10.6555 11.7273 11.7273 k = 0.0000 0.7884 0.4774 ( 3570 PWs) bands (ev): -31.4026 -31.4026 -31.4003 -31.4003 -12.7008 -12.7008 -12.6927 -12.6927 -12.3489 -12.3489 -12.3352 -12.3352 -12.3015 -12.3015 -12.2850 -12.2850 4.0361 4.0361 4.1244 4.1244 4.2619 4.2619 4.3493 4.3493 5.1781 5.1781 5.5891 5.5891 5.8043 5.8043 5.9775 5.9775 6.4215 6.4215 6.5367 6.5367 6.8858 6.8858 7.4709 7.4709 9.0306 9.0306 9.9301 9.9301 10.4619 10.4619 10.6476 10.6476 11.7048 11.7048 k = 0.0000 0.7884 0.4957 ( 3570 PWs) bands (ev): -31.4024 -31.4024 -31.4004 -31.4004 -12.7004 -12.7004 -12.6931 -12.6931 -12.3484 -12.3484 -12.3360 -12.3360 -12.3005 -12.3005 -12.2858 -12.2858 4.0440 4.0440 4.1220 4.1220 4.2639 4.2639 4.3449 4.3449 5.2027 5.2027 5.5782 5.5782 5.8106 5.8106 5.9657 5.9657 6.4275 6.4275 6.5321 6.5321 6.9072 6.9072 7.4324 7.4324 9.0848 9.0848 9.9144 9.9144 10.4637 10.4637 10.6419 10.6419 11.6848 11.6848 k = 0.0000 0.7884 0.5141 ( 3568 PWs) bands (ev): -31.4023 -31.4023 -31.4005 -31.4005 -12.6999 -12.6999 -12.6936 -12.6936 -12.3479 -12.3479 -12.3369 -12.3369 -12.2996 -12.2996 -12.2866 -12.2866 4.0515 4.0515 4.1194 4.1194 4.2665 4.2665 4.3399 4.3399 5.2284 5.2284 5.5647 5.5647 5.8178 5.8178 5.9543 5.9543 6.4340 6.4340 6.5273 6.5273 6.9297 6.9297 7.3930 7.3930 9.1413 9.1413 9.8900 9.8900 10.4704 10.4704 10.6373 10.6373 11.6677 11.6677 k = 0.0000 0.7884 0.5324 ( 3568 PWs) bands (ev): -31.4022 -31.4022 -31.4007 -31.4007 -12.6995 -12.6995 -12.6940 -12.6940 -12.3473 -12.3473 -12.3377 -12.3377 -12.2986 -12.2986 -12.2875 -12.2875 4.0587 4.0587 4.1166 4.1166 4.2696 4.2696 4.3345 4.3345 5.2548 5.2548 5.5489 5.5489 5.8258 5.8258 5.9430 5.9430 6.4408 6.4408 6.5222 6.5222 6.9534 6.9534 7.3532 7.3532 9.1994 9.1994 9.8576 9.8576 10.4816 10.4816 10.6330 10.6330 11.6537 11.6537 k = 0.0000 0.7884 0.5508 ( 3568 PWs) bands (ev): -31.4020 -31.4020 -31.4008 -31.4008 -12.6991 -12.6991 -12.6944 -12.6944 -12.3467 -12.3467 -12.3386 -12.3386 -12.2976 -12.2976 -12.2883 -12.2883 4.0655 4.0655 4.1135 4.1135 4.2732 4.2732 4.3287 4.3287 5.2818 5.2818 5.5309 5.5309 5.8343 5.8343 5.9320 5.9320 6.4480 6.4480 6.5168 6.5168 6.9785 6.9785 7.3135 7.3135 9.2587 9.2587 9.8183 9.8183 10.4961 10.4961 10.6282 10.6282 11.6432 11.6432 k = 0.0000 0.7884 0.5692 ( 3570 PWs) bands (ev): -31.4019 -31.4019 -31.4009 -31.4009 -12.6986 -12.6986 -12.6949 -12.6949 -12.3460 -12.3460 -12.3395 -12.3395 -12.2967 -12.2967 -12.2892 -12.2892 4.0719 4.0719 4.1102 4.1102 4.2774 4.2774 4.3226 4.3226 5.3091 5.3091 5.5110 5.5110 5.8432 5.8432 5.9213 5.9213 6.4554 6.4554 6.5111 6.5111 7.0051 7.0051 7.2742 7.2742 9.3189 9.3189 9.7734 9.7734 10.5128 10.5128 10.6223 10.6223 11.6366 11.6366 k = 0.0000 0.7884 0.5875 ( 3562 PWs) bands (ev): -31.4018 -31.4018 -31.4010 -31.4010 -12.6981 -12.6981 -12.6953 -12.6953 -12.3453 -12.3453 -12.3404 -12.3404 -12.2957 -12.2957 -12.2901 -12.2901 4.0779 4.0779 4.1066 4.1066 4.2820 4.2820 4.3165 4.3165 5.3366 5.3366 5.4895 5.4895 5.8523 5.8523 5.9109 5.9109 6.4629 6.4629 6.5050 6.5050 7.0333 7.0333 7.2358 7.2358 9.3793 9.3793 9.7241 9.7241 10.5306 10.5306 10.6149 10.6149 11.6340 11.6340 k = 0.0000 0.7884 0.6059 ( 3558 PWs) bands (ev): -31.4016 -31.4016 -31.4011 -31.4011 -12.6977 -12.6977 -12.6958 -12.6958 -12.3445 -12.3445 -12.3412 -12.3412 -12.2947 -12.2947 -12.2910 -12.2910 4.0836 4.0836 4.1026 4.1026 4.2870 4.2870 4.3103 4.3103 5.3638 5.3638 5.4665 5.4665 5.8616 5.8616 5.9006 5.9006 6.4703 6.4703 6.4986 6.4986 7.0631 7.0631 7.1984 7.1984 9.4397 9.4397 9.6713 9.6713 10.5483 10.5483 10.6055 10.6055 11.6360 11.6360 k = 0.0000 0.7884 0.6242 ( 3562 PWs) bands (ev): -31.4015 -31.4015 -31.4013 -31.4013 -12.6972 -12.6972 -12.6963 -12.6963 -12.3437 -12.3437 -12.3421 -12.3421 -12.2938 -12.2938 -12.2919 -12.2919 4.0889 4.0889 4.0984 4.0984 4.2925 4.2925 4.3042 4.3042 5.3906 5.3906 5.4422 5.4422 5.8711 5.8711 5.8906 5.8906 6.4777 6.4777 6.4919 6.4919 7.0946 7.0946 7.1623 7.1623 9.4995 9.4995 9.6159 9.6159 10.5651 10.5651 10.5940 10.5940 11.6426 11.6426 k = 0.0000 0.7884 0.6426 ( 3564 PWs) bands (ev): -31.4014 -31.4014 -31.4014 -31.4014 -12.6967 -12.6967 -12.6967 -12.6967 -12.3429 -12.3429 -12.3429 -12.3429 -12.2928 -12.2928 -12.2928 -12.2928 4.0938 4.0938 4.0938 4.0938 4.2982 4.2982 4.2982 4.2982 5.4168 5.4168 5.4168 5.4168 5.8808 5.8808 5.8808 5.8808 6.4849 6.4849 6.4849 6.4849 7.1277 7.1277 7.1277 7.1277 9.5584 9.5584 9.5584 9.5584 10.5805 10.5805 10.5805 10.5805 11.6541 11.6541 k = 0.0000 0.7884 0.6426 ( 3564 PWs) bands (ev): -31.4014 -31.4014 -31.4014 -31.4014 -12.6967 -12.6967 -12.6967 -12.6967 -12.3429 -12.3429 -12.3429 -12.3429 -12.2928 -12.2928 -12.2928 -12.2928 4.0938 4.0938 4.0938 4.0938 4.2982 4.2982 4.2982 4.2982 5.4168 5.4168 5.4168 5.4168 5.8808 5.8808 5.8808 5.8808 6.4849 6.4849 6.4849 6.4849 7.1277 7.1277 7.1277 7.1277 9.5584 9.5584 9.5584 9.5584 10.5805 10.5805 10.5805 10.5805 11.6541 11.6541 k = 0.0176 0.7884 0.6426 ( 3558 PWs) bands (ev): -31.4014 -31.4014 -31.4014 -31.4014 -12.6968 -12.6968 -12.6967 -12.6967 -12.3440 -12.3440 -12.3418 -12.3418 -12.2939 -12.2939 -12.2917 -12.2917 4.0926 4.0926 4.0949 4.0949 4.2944 4.2944 4.3022 4.3022 5.4150 5.4150 5.4187 5.4187 5.8769 5.8769 5.8848 5.8848 6.4809 6.4809 6.4885 6.4885 7.1255 7.1255 7.1303 7.1303 9.5559 9.5559 9.5630 9.5630 10.5764 10.5764 10.5767 10.5767 11.6514 11.6514 k = 0.0352 0.7884 0.6426 ( 3558 PWs) bands (ev): -31.4014 -31.4014 -31.4014 -31.4014 -12.6968 -12.6968 -12.6967 -12.6967 -12.3451 -12.3451 -12.3406 -12.3406 -12.2950 -12.2950 -12.2907 -12.2907 4.0912 4.0912 4.0958 4.0958 4.2908 4.2908 4.3064 4.3064 5.4134 5.4134 5.4207 5.4207 5.8730 5.8730 5.8887 5.8887 6.4764 6.4764 6.4916 6.4916 7.1238 7.1238 7.1334 7.1334 9.5555 9.5555 9.5698 9.5698 10.5646 10.5646 10.5648 10.5648 11.6545 11.6545 k = 0.0529 0.7884 0.6426 ( 3564 PWs) bands (ev): -31.4014 -31.4014 -31.4014 -31.4014 -12.6968 -12.6968 -12.6967 -12.6967 -12.3462 -12.3462 -12.3395 -12.3395 -12.2960 -12.2960 -12.2897 -12.2897 4.0897 4.0897 4.0965 4.0965 4.2876 4.2876 4.3107 4.3107 5.4118 5.4118 5.4227 5.4227 5.8692 5.8692 5.8927 5.8927 6.4716 6.4716 6.4942 6.4942 7.1227 7.1227 7.1369 7.1369 9.5570 9.5570 9.5787 9.5787 10.5453 10.5453 10.5459 10.5459 11.6631 11.6631 k = 0.0705 0.7884 0.6426 ( 3572 PWs) bands (ev): -31.4014 -31.4014 -31.4014 -31.4014 -12.6969 -12.6969 -12.6967 -12.6967 -12.3472 -12.3472 -12.3384 -12.3384 -12.2971 -12.2971 -12.2887 -12.2887 4.0882 4.0882 4.0970 4.0970 4.2846 4.2846 4.3150 4.3150 5.4104 5.4104 5.4248 5.4248 5.8654 5.8654 5.8967 5.8967 6.4665 6.4665 6.4962 6.4962 7.1222 7.1222 7.1406 7.1406 9.5604 9.5604 9.5897 9.5897 10.5190 10.5190 10.5213 10.5213 11.6764 11.6764 k = 0.0881 0.7884 0.6426 ( 3576 PWs) bands (ev): -31.4014 -31.4014 -31.4014 -31.4014 -12.6969 -12.6969 -12.6967 -12.6967 -12.3482 -12.3482 -12.3373 -12.3373 -12.2982 -12.2982 -12.2877 -12.2877 4.0866 4.0866 4.0972 4.0972 4.2820 4.2820 4.3193 4.3193 5.4093 5.4093 5.4268 5.4268 5.8618 5.8618 5.9006 5.9006 6.4612 6.4612 6.4977 6.4977 7.1223 7.1223 7.1446 7.1446 9.5655 9.5655 9.6027 9.6027 10.4867 10.4867 10.4920 10.4920 11.6937 11.6937 k = 0.1057 0.7884 0.6426 ( 3576 PWs) bands (ev): -31.4014 -31.4014 -31.4014 -31.4014 -12.6969 -12.6969 -12.6967 -12.6967 -12.3491 -12.3491 -12.3362 -12.3362 -12.2991 -12.2991 -12.2868 -12.2868 4.0851 4.0851 4.0974 4.0974 4.2798 4.2798 4.3235 4.3235 5.4082 5.4082 5.4287 5.4287 5.8582 5.8582 5.9044 5.9044 6.4557 6.4557 6.4985 6.4985 7.1229 7.1229 7.1488 7.1488 9.5720 9.5720 9.6176 9.6176 10.4496 10.4496 10.4590 10.4590 11.7140 11.7140 k = 0.1234 0.7884 0.6426 ( 3572 PWs) bands (ev): -31.4014 -31.4014 -31.4014 -31.4014 -12.6969 -12.6969 -12.6967 -12.6967 -12.3499 -12.3499 -12.3352 -12.3352 -12.3001 -12.3001 -12.2859 -12.2859 4.0836 4.0836 4.0973 4.0973 4.2779 4.2779 4.3275 4.3275 5.4074 5.4074 5.4306 5.4306 5.8547 5.8547 5.9080 5.9080 6.4502 6.4502 6.4988 6.4988 7.1241 7.1241 7.1530 7.1530 9.5798 9.5798 9.6344 9.6344 10.4088 10.4088 10.4237 10.4237 11.7364 11.7365 k = 0.1410 0.7884 0.6426 ( 3568 PWs) bands (ev): -31.4014 -31.4014 -31.4014 -31.4014 -12.6970 -12.6970 -12.6966 -12.6966 -12.3507 -12.3507 -12.3342 -12.3342 -12.3009 -12.3009 -12.2851 -12.2851 4.0823 4.0823 4.0971 4.0971 4.2763 4.2763 4.3313 4.3313 5.4068 5.4068 5.4324 5.4324 5.8512 5.8512 5.9115 5.9115 6.4446 6.4446 6.4984 6.4984 7.1257 7.1257 7.1571 7.1571 9.5885 9.5885 9.6527 9.6527 10.3655 10.3655 10.3870 10.3870 11.7602 11.7602 k = 0.1586 0.7884 0.6426 ( 3576 PWs) bands (ev): -31.4015 -31.4015 -31.4014 -31.4014 -12.6970 -12.6970 -12.6966 -12.6966 -12.3514 -12.3514 -12.3333 -12.3333 -12.3017 -12.3017 -12.2843 -12.2843 4.0811 4.0811 4.0968 4.0968 4.2750 4.2750 4.3348 4.3348 5.4064 5.4064 5.4341 5.4341 5.8479 5.8479 5.9148 5.9148 6.4390 6.4390 6.4975 6.4975 7.1279 7.1279 7.1611 7.1611 9.5978 9.5978 9.6722 9.6722 10.3209 10.3209 10.3502 10.3502 11.7844 11.7844 k = 0.1762 0.7884 0.6426 ( 3576 PWs) bands (ev): -31.4015 -31.4015 -31.4014 -31.4014 -12.6970 -12.6970 -12.6966 -12.6966 -12.3521 -12.3521 -12.3324 -12.3324 -12.3024 -12.3024 -12.2836 -12.2836 4.0800 4.0800 4.0965 4.0965 4.2740 4.2740 4.3379 4.3379 5.4062 5.4062 5.4356 5.4356 5.8446 5.8446 5.9179 5.9179 6.4335 6.4335 6.4961 6.4961 7.1303 7.1303 7.1649 7.1649 9.6071 9.6071 9.6927 9.6927 10.2760 10.2760 10.3144 10.3144 11.8085 11.8085 k = 0.1939 0.7884 0.6426 ( 3574 PWs) bands (ev): -31.4015 -31.4015 -31.4015 -31.4015 -12.6970 -12.6970 -12.6966 -12.6966 -12.3526 -12.3526 -12.3317 -12.3317 -12.3030 -12.3030 -12.2829 -12.2829 4.0792 4.0792 4.0962 4.0962 4.2732 4.2732 4.3407 4.3407 5.4061 5.4061 5.4370 5.4370 5.8414 5.8414 5.9206 5.9206 6.4281 6.4281 6.4941 6.4941 7.1331 7.1331 7.1683 7.1683 9.6160 9.6160 9.7135 9.7135 10.2322 10.2322 10.2807 10.2807 11.8319 11.8319 k = 0.2115 0.7884 0.6426 ( 3578 PWs) bands (ev): -31.4015 -31.4015 -31.4015 -31.4015 -12.6971 -12.6971 -12.6966 -12.6966 -12.3531 -12.3531 -12.3310 -12.3310 -12.3035 -12.3035 -12.2824 -12.2824 4.0786 4.0786 4.0959 4.0959 4.2726 4.2726 4.3430 4.3430 5.4062 5.4062 5.4382 5.4382 5.8383 5.8383 5.9230 5.9230 6.4229 6.4229 6.4915 6.4915 7.1360 7.1360 7.1711 7.1711 9.6238 9.6238 9.7338 9.7338 10.1909 10.1909 10.2501 10.2501 11.8542 11.8542 k = 0.2291 0.7884 0.6426 ( 3584 PWs) bands (ev): -31.4015 -31.4015 -31.4015 -31.4015 -12.6971 -12.6971 -12.6966 -12.6966 -12.3536 -12.3536 -12.3305 -12.3305 -12.3039 -12.3039 -12.2819 -12.2819 4.0782 4.0782 4.0956 4.0956 4.2722 4.2722 4.3450 4.3450 5.4064 5.4064 5.4392 5.4392 5.8353 5.8353 5.9250 5.9250 6.4180 6.4180 6.4885 6.4885 7.1389 7.1389 7.1733 7.1733 9.6300 9.6300 9.7525 9.7525 10.1537 10.1537 10.2239 10.2239 11.8748 11.8748 k = 0.2467 0.7884 0.6426 ( 3582 PWs) bands (ev): -31.4015 -31.4015 -31.4015 -31.4015 -12.6971 -12.6971 -12.6965 -12.6965 -12.3539 -12.3539 -12.3301 -12.3301 -12.3041 -12.3041 -12.2814 -12.2814 4.0781 4.0781 4.0954 4.0954 4.2720 4.2720 4.3464 4.3464 5.4067 5.4067 5.4399 5.4399 5.8324 5.8324 5.9266 5.9266 6.4132 6.4132 6.4851 6.4851 7.1417 7.1417 7.1748 7.1748 9.6341 9.6341 9.7678 9.7678 10.1229 10.1229 10.2029 10.2029 11.8935 11.8935 k = 0.2644 0.7884 0.6426 ( 3586 PWs) bands (ev): -31.4015 -31.4015 -31.4015 -31.4015 -12.6971 -12.6971 -12.6965 -12.6965 -12.3541 -12.3541 -12.3299 -12.3299 -12.3042 -12.3042 -12.2811 -12.2811 4.0782 4.0782 4.0953 4.0953 4.2719 4.2719 4.3475 4.3475 5.4070 5.4070 5.4405 5.4405 5.8295 5.8295 5.9277 5.9277 6.4087 6.4087 6.4812 6.4812 7.1442 7.1442 7.1752 7.1752 9.6355 9.6355 9.7778 9.7778 10.1009 10.1009 10.1880 10.1880 11.9101 11.9101 k = 0.2820 0.7884 0.6426 ( 3590 PWs) bands (ev): -31.4016 -31.4016 -31.4015 -31.4015 -12.6971 -12.6971 -12.6964 -12.6964 -12.3543 -12.3543 -12.3297 -12.3297 -12.3042 -12.3042 -12.2808 -12.2808 4.0786 4.0786 4.0953 4.0953 4.2720 4.2720 4.3481 4.3481 5.4074 5.4074 5.4408 5.4408 5.8268 5.8268 5.9285 5.9285 6.4045 6.4045 6.4770 6.4770 7.1462 7.1462 7.1745 7.1745 9.6343 9.6343 9.7805 9.7805 10.0900 10.0900 10.1795 10.1795 11.9242 11.9242 k = 0.2820 0.7884 0.6426 ( 3590 PWs) bands (ev): -31.4016 -31.4016 -31.4015 -31.4015 -12.6971 -12.6971 -12.6964 -12.6964 -12.3543 -12.3543 -12.3297 -12.3297 -12.3042 -12.3042 -12.2808 -12.2808 4.0786 4.0786 4.0953 4.0953 4.2720 4.2720 4.3481 4.3481 5.4074 5.4074 5.4408 5.4408 5.8268 5.8268 5.9285 5.9285 6.4045 6.4045 6.4770 6.4770 7.1462 7.1462 7.1745 7.1745 9.6343 9.6343 9.7805 9.7805 10.0900 10.0900 10.1795 10.1795 11.9242 11.9242 k = 0.2757 0.7709 0.6426 ( 3586 PWs) bands (ev): -31.4015 -31.4015 -31.4015 -31.4015 -12.6971 -12.6971 -12.6966 -12.6966 -12.3539 -12.3539 -12.3300 -12.3300 -12.3045 -12.3045 -12.2816 -12.2816 4.0770 4.0770 4.0952 4.0952 4.2717 4.2717 4.3471 4.3471 5.4060 5.4060 5.4401 5.4401 5.8351 5.8351 5.9264 5.9264 6.4163 6.4163 6.4900 6.4900 7.1392 7.1392 7.1773 7.1773 9.6387 9.6387 9.7757 9.7757 10.1174 10.1174 10.2025 10.2025 11.8853 11.8853 k = 0.2694 0.7534 0.6426 ( 3582 PWs) bands (ev): -31.4015 -31.4015 -31.4014 -31.4014 -12.6971 -12.6971 -12.6967 -12.6967 -12.3534 -12.3534 -12.3302 -12.3302 -12.3047 -12.3047 -12.2823 -12.2823 4.0755 4.0755 4.0952 4.0952 4.2719 4.2719 4.3464 4.3464 5.4040 5.4040 5.4392 5.4392 5.8430 5.8430 5.9235 5.9235 6.4256 6.4256 6.5009 6.5009 7.1291 7.1291 7.1774 7.1774 9.6388 9.6388 9.7614 9.7614 10.1609 10.1609 10.2365 10.2365 11.8491 11.8491 k = 0.2632 0.7359 0.6426 ( 3576 PWs) bands (ev): -31.4014 -31.4014 -31.4014 -31.4014 -12.6970 -12.6970 -12.6968 -12.6968 -12.3529 -12.3529 -12.3303 -12.3303 -12.3049 -12.3049 -12.2831 -12.2831 4.0742 4.0742 4.0952 4.0952 4.2725 4.2725 4.3461 4.3461 5.4017 5.4017 5.4381 5.4381 5.8506 5.8506 5.9197 5.9197 6.4325 6.4325 6.5096 6.5096 7.1157 7.1157 7.1744 7.1744 9.6388 9.6388 9.7466 9.7466 10.2117 10.2117 10.2774 10.2774 11.8157 11.8158 k = 0.2569 0.7183 0.6426 ( 3572 PWs) bands (ev): -31.4014 -31.4014 -31.4014 -31.4014 -12.6969 -12.6969 -12.6968 -12.6968 -12.3522 -12.3522 -12.3304 -12.3304 -12.3050 -12.3050 -12.2838 -12.2838 4.0730 4.0730 4.0954 4.0954 4.2736 4.2736 4.3462 4.3462 5.3989 5.3989 5.4367 5.4367 5.8579 5.8579 5.9153 5.9153 6.4366 6.4366 6.5158 6.5158 7.0987 7.0987 7.1681 7.1681 9.6419 9.6419 9.7364 9.7364 10.2646 10.2646 10.3220 10.3220 11.7854 11.7854 k = 0.2506 0.7008 0.6426 ( 3570 PWs) bands (ev): -31.4014 -31.4014 -31.4014 -31.4014 -12.6968 -12.6968 -12.6967 -12.6967 -12.3515 -12.3515 -12.3305 -12.3305 -12.3051 -12.3051 -12.2846 -12.2846 4.0719 4.0719 4.0956 4.0956 4.2752 4.2752 4.3466 4.3466 5.3957 5.3957 5.4350 5.4350 5.8649 5.8649 5.9101 5.9101 6.4380 6.4380 6.5193 6.5193 7.0784 7.0784 7.1585 7.1585 9.6500 9.6500 9.7332 9.7332 10.3167 10.3167 10.3679 10.3679 11.7580 11.7580 k = 0.2444 0.6833 0.6426 ( 3578 PWs) bands (ev): -31.4014 -31.4014 -31.4014 -31.4014 -12.6967 -12.6967 -12.6966 -12.6966 -12.3507 -12.3507 -12.3305 -12.3305 -12.3052 -12.3052 -12.2853 -12.2853 4.0710 4.0710 4.0959 4.0959 4.2773 4.2773 4.3473 4.3473 5.3921 5.3921 5.4329 5.4329 5.8717 5.8717 5.9042 5.9042 6.4367 6.4367 6.5199 6.5199 7.0549 7.0549 7.1457 7.1457 9.6644 9.6644 9.7382 9.7382 10.3665 10.3665 10.4133 10.4133 11.7338 11.7338 k = 0.2381 0.6658 0.6426 ( 3578 PWs) bands (ev): -31.4014 -31.4014 -31.4014 -31.4014 -12.6965 -12.6965 -12.6963 -12.6963 -12.3498 -12.3498 -12.3305 -12.3305 -12.3052 -12.3052 -12.2861 -12.2861 4.0703 4.0703 4.0964 4.0964 4.2798 4.2798 4.3483 4.3483 5.3880 5.3880 5.4304 5.4304 5.8782 5.8782 5.8977 5.8977 6.4328 6.4328 6.5175 6.5175 7.0288 7.0288 7.1299 7.1299 9.6857 9.6857 9.7517 9.7517 10.4128 10.4128 10.4571 10.4571 11.7127 11.7127 k = 0.2318 0.6483 0.6426 ( 3582 PWs) bands (ev): -31.4015 -31.4015 -31.4015 -31.4015 -12.6964 -12.6964 -12.6961 -12.6961 -12.3488 -12.3488 -12.3304 -12.3304 -12.3052 -12.3052 -12.2868 -12.2868 4.0697 4.0697 4.0969 4.0969 4.2827 4.2827 4.3496 4.3496 5.3836 5.3836 5.4275 5.4275 5.8843 5.8843 5.8903 5.8903 6.4262 6.4262 6.5118 6.5118 7.0006 7.0006 7.1115 7.1115 9.7139 9.7139 9.7737 9.7737 10.4552 10.4552 10.4984 10.4984 11.6947 11.6947 k = 0.2256 0.6307 0.6426 ( 3578 PWs) bands (ev): -31.4015 -31.4015 -31.4015 -31.4015 -12.6961 -12.6961 -12.6957 -12.6957 -12.3477 -12.3477 -12.3302 -12.3302 -12.3052 -12.3052 -12.2875 -12.2875 4.0693 4.0693 4.0976 4.0976 4.2860 4.2860 4.3511 4.3511 5.3787 5.3787 5.4239 5.4239 5.8821 5.8821 5.8901 5.8901 6.4173 6.4173 6.5027 6.5027 6.9712 6.9712 7.0911 7.0911 9.7487 9.7487 9.8037 9.8037 10.4931 10.4931 10.5368 10.5368 11.6797 11.6797 k = 0.2193 0.6132 0.6426 ( 3574 PWs) bands (ev): -31.4016 -31.4016 -31.4016 -31.4016 -12.6958 -12.6958 -12.6953 -12.6953 -12.3465 -12.3465 -12.3299 -12.3299 -12.3051 -12.3051 -12.2882 -12.2882 4.0690 4.0690 4.0983 4.0983 4.2897 4.2897 4.3529 4.3529 5.3733 5.3733 5.4197 5.4197 5.8731 5.8731 5.8954 5.8954 6.4060 6.4060 6.4900 6.4900 6.9415 6.9415 7.0693 7.0693 9.7896 9.7896 9.8411 9.8411 10.5263 10.5263 10.5718 10.5718 11.6675 11.6675 k = 0.2131 0.5957 0.6426 ( 3570 PWs) bands (ev): -31.4016 -31.4016 -31.4016 -31.4016 -12.6955 -12.6955 -12.6948 -12.6948 -12.3453 -12.3453 -12.3296 -12.3296 -12.3050 -12.3050 -12.2889 -12.2889 4.0689 4.0689 4.0992 4.0992 4.2937 4.2937 4.3549 4.3549 5.3675 5.3675 5.4146 5.4146 5.8631 5.8631 5.9002 5.9002 6.3929 6.3929 6.4737 6.4737 6.9123 6.9123 7.0466 7.0466 9.8358 9.8358 9.8850 9.8850 10.5550 10.5550 10.6034 10.6034 11.6533 11.6543 k = 0.2068 0.5782 0.6426 ( 3566 PWs) bands (ev): -31.4017 -31.4017 -31.4017 -31.4017 -12.6951 -12.6951 -12.6943 -12.6943 -12.3439 -12.3439 -12.3293 -12.3293 -12.3048 -12.3048 -12.2896 -12.2896 4.0690 4.0690 4.1002 4.1002 4.2981 4.2981 4.3572 4.3572 5.3610 5.3610 5.4086 5.4086 5.8521 5.8521 5.9042 5.9042 6.3781 6.3781 6.4538 6.4538 6.8844 6.8844 7.0237 7.0237 9.8863 9.8863 9.9346 9.9346 10.5794 10.5794 10.6317 10.6317 11.6357 11.6501 k = 0.2005 0.5607 0.6426 ( 3566 PWs) bands (ev): -31.4018 -31.4018 -31.4018 -31.4018 -12.6946 -12.6946 -12.6938 -12.6938 -12.3426 -12.3426 -12.3288 -12.3288 -12.3047 -12.3047 -12.2902 -12.2902 4.0691 4.0691 4.1013 4.1013 4.3027 4.3027 4.3595 4.3595 5.3539 5.3539 5.4014 5.4014 5.8402 5.8402 5.9073 5.9073 6.3622 6.3622 6.4307 6.4307 6.8585 6.8585 7.0010 7.0010 9.9401 9.9401 9.9886 9.9886 10.6000 10.6000 10.6571 10.6571 11.6205 11.6205 k = 0.1943 0.5431 0.6426 ( 3570 PWs) bands (ev): -31.4019 -31.4019 -31.4019 -31.4019 -12.6942 -12.6942 -12.6932 -12.6932 -12.3411 -12.3411 -12.3284 -12.3284 -12.3044 -12.3044 -12.2909 -12.2909 4.0694 4.0694 4.1024 4.1024 4.3076 4.3076 4.3621 4.3621 5.3462 5.3462 5.3929 5.3929 5.8272 5.8272 5.9092 5.9092 6.3455 6.3455 6.4049 6.4049 6.8349 6.8349 6.9790 6.9790 9.9960 9.9960 10.0459 10.0459 10.6174 10.6174 10.6803 10.6803 11.6076 11.6076 k = 0.1880 0.5256 0.6426 ( 3562 PWs) bands (ev): -31.4020 -31.4020 -31.4020 -31.4020 -12.6936 -12.6936 -12.6926 -12.6926 -12.3396 -12.3396 -12.3279 -12.3279 -12.3042 -12.3042 -12.2915 -12.2915 4.0698 4.0698 4.1037 4.1037 4.3128 4.3128 4.3647 4.3647 5.3377 5.3377 5.3829 5.3829 5.8133 5.8133 5.9096 5.9096 6.3286 6.3286 6.3774 6.3774 6.8137 6.8137 6.9579 6.9579 10.0525 10.0525 10.1052 10.1052 10.6328 10.6328 10.7022 10.7022 11.5969 11.6368 k = 0.1817 0.5081 0.6426 ( 3566 PWs) bands (ev): -31.4021 -31.4021 -31.4021 -31.4021 -12.6931 -12.6931 -12.6920 -12.6920 -12.3381 -12.3381 -12.3274 -12.3274 -12.3039 -12.3039 -12.2921 -12.2921 4.0703 4.0703 4.1050 4.1050 4.3181 4.3181 4.3674 4.3674 5.3283 5.3283 5.3711 5.3711 5.7986 5.7986 5.9081 5.9081 6.3120 6.3120 6.3492 6.3492 6.7949 6.7949 6.9378 6.9378 10.1081 10.1081 10.1646 10.1646 10.6475 10.6475 10.7239 10.7239 11.5873 11.5875 k = 0.1755 0.4906 0.6426 ( 3566 PWs) bands (ev): -31.4022 -31.4022 -31.4022 -31.4022 -12.6925 -12.6925 -12.6914 -12.6914 -12.3365 -12.3365 -12.3268 -12.3268 -12.3035 -12.3035 -12.2927 -12.2927 4.0709 4.0709 4.1063 4.1063 4.3236 4.3236 4.3701 4.3701 5.3180 5.3180 5.3573 5.3573 5.7833 5.7833 5.9042 5.9042 6.2961 6.2961 6.3215 6.3215 6.7783 6.7783 6.9190 6.9190 10.1610 10.1610 10.2222 10.2222 10.6633 10.6633 10.7468 10.7468 11.5797 11.5801 k = 0.1692 0.4730 0.6426 ( 3562 PWs) bands (ev): -31.4024 -31.4024 -31.4024 -31.4024 -12.6919 -12.6919 -12.6907 -12.6907 -12.3349 -12.3349 -12.3262 -12.3262 -12.3031 -12.3031 -12.2933 -12.2933 4.0716 4.0716 4.1076 4.1076 4.3292 4.3292 4.3728 4.3728 5.3067 5.3067 5.3413 5.3413 5.7677 5.7677 5.8977 5.8977 6.2813 6.2813 6.2956 6.2956 6.7636 6.7636 6.9014 6.9014 10.2095 10.2095 10.2752 10.2752 10.6825 10.6825 10.7724 10.7724 11.5731 11.5732 k = 0.1629 0.4555 0.6426 ( 3570 PWs) bands (ev): -31.4025 -31.4025 -31.4025 -31.4025 -12.6913 -12.6913 -12.6901 -12.6901 -12.3332 -12.3332 -12.3257 -12.3257 -12.3027 -12.3027 -12.2938 -12.2938 4.0723 4.0723 4.1089 4.1089 4.3349 4.3349 4.3755 4.3755 5.2942 5.2942 5.3231 5.3231 5.7521 5.7521 5.8881 5.8881 6.2679 6.2679 6.2725 6.2725 6.7505 6.7505 6.8851 6.8851 10.2518 10.2518 10.3209 10.3209 10.7080 10.7080 10.8024 10.8024 11.5679 11.5680 k = 0.1567 0.4380 0.6426 ( 3566 PWs) bands (ev): -31.4026 -31.4026 -31.4026 -31.4026 -12.6907 -12.6907 -12.6894 -12.6894 -12.3316 -12.3316 -12.3251 -12.3251 -12.3021 -12.3021 -12.2943 -12.2943 4.0731 4.0731 4.1102 4.1102 4.3407 4.3407 4.3782 4.3782 5.2805 5.2805 5.3026 5.3026 5.7368 5.7368 5.8755 5.8755 6.2530 6.2530 6.2561 6.2561 6.7388 6.7388 6.8698 6.8698 10.2865 10.2865 10.3567 10.3567 10.7419 10.7419 10.8376 10.8376 11.5638 11.5639 k = 0.1504 0.4205 0.6426 ( 3566 PWs) bands (ev): -31.4028 -31.4028 -31.4028 -31.4028 -12.6900 -12.6900 -12.6887 -12.6887 -12.3299 -12.3299 -12.3245 -12.3245 -12.3015 -12.3015 -12.2947 -12.2947 4.0739 4.0739 4.1115 4.1115 4.3465 4.3465 4.3808 4.3808 5.2656 5.2656 5.2797 5.2797 5.7223 5.7223 5.8600 5.8600 6.2374 6.2374 6.2459 6.2459 6.7283 6.7283 6.8556 6.8556 10.3130 10.3130 10.3813 10.3813 10.7852 10.7852 10.8787 10.8787 11.5609 11.5610 k = 0.1441 0.4030 0.6426 ( 3570 PWs) bands (ev): -31.4029 -31.4029 -31.4029 -31.4029 -12.6894 -12.6894 -12.6880 -12.6880 -12.3283 -12.3283 -12.3240 -12.3240 -12.3009 -12.3009 -12.2951 -12.2951 4.0747 4.0747 4.1127 4.1127 4.3522 4.3522 4.3832 4.3832 5.2493 5.2493 5.2547 5.2547 5.7086 5.7086 5.8422 5.8422 6.2258 6.2258 6.2374 6.2374 6.7188 6.7188 6.8423 6.8423 10.3314 10.3314 10.3957 10.3957 10.8370 10.8370 10.9249 10.9249 11.5594 11.5606 k = 0.1379 0.3854 0.6426 ( 3562 PWs) bands (ev): -31.4031 -31.4031 -31.4031 -31.4031 -12.6887 -12.6887 -12.6873 -12.6873 -12.3267 -12.3267 -12.3235 -12.3235 -12.3001 -12.3001 -12.2953 -12.2953 4.0754 4.0754 4.1138 4.1138 4.3579 4.3579 4.3855 4.3855 5.2278 5.2278 5.2317 5.2317 5.6961 5.6961 5.8229 5.8229 6.2179 6.2179 6.2304 6.2304 6.7102 6.7102 6.8299 6.8299 10.3426 10.3426 10.4016 10.4016 10.8950 10.8950 10.9752 10.9752 11.5593 11.5593 k = 0.1316 0.3679 0.6426 ( 3562 PWs) bands (ev): -31.4032 -31.4032 -31.4032 -31.4032 -12.6880 -12.6880 -12.6866 -12.6866 -12.3252 -12.3252 -12.3230 -12.3230 -12.2993 -12.2993 -12.2955 -12.2955 4.0762 4.0762 4.1148 4.1148 4.3634 4.3634 4.3876 4.3876 5.1994 5.1994 5.2129 5.2129 5.6846 5.6846 5.8026 5.8026 6.2130 6.2130 6.2250 6.2250 6.7023 6.7023 6.8183 6.8183 10.3477 10.3477 10.4011 10.4011 10.9569 10.9569 11.0279 11.0279 11.5611 11.5611 k = 0.1253 0.3504 0.6426 ( 3562 PWs) bands (ev): -31.4034 -31.4034 -31.4034 -31.4034 -12.6874 -12.6874 -12.6860 -12.6860 -12.3238 -12.3238 -12.3225 -12.3225 -12.2984 -12.2984 -12.2956 -12.2956 4.0770 4.0770 4.1156 4.1156 4.3688 4.3688 4.3895 4.3895 5.1699 5.1699 5.1927 5.1927 5.6744 5.6744 5.7824 5.7824 6.2107 6.2107 6.2210 6.2210 6.6951 6.6951 6.8073 6.8073 10.3480 10.3480 10.3961 10.3961 11.0205 11.0205 11.0813 11.0813 11.5652 11.5652 k = 0.1191 0.3329 0.6426 ( 3554 PWs) bands (ev): -31.4036 -31.4036 -31.4035 -31.4035 -12.6867 -12.6867 -12.6853 -12.6853 -12.3224 -12.3224 -12.3221 -12.3221 -12.2975 -12.2975 -12.2956 -12.2956 4.0777 4.0777 4.1163 4.1163 4.3739 4.3739 4.3911 4.3911 5.1398 5.1398 5.1716 5.1716 5.6653 5.6653 5.7627 5.7627 6.2104 6.2104 6.2182 6.2182 6.6886 6.6886 6.7970 6.7970 10.3445 10.3445 10.3879 10.3879 11.0841 11.0841 11.1336 11.1336 11.5721 11.5721 k = 0.1128 0.3154 0.6426 ( 3558 PWs) bands (ev): -31.4037 -31.4037 -31.4037 -31.4037 -12.6861 -12.6861 -12.6847 -12.6847 -12.3217 -12.3217 -12.3213 -12.3213 -12.2965 -12.2965 -12.2955 -12.2955 4.0784 4.0784 4.1168 4.1168 4.3788 4.3788 4.3925 4.3925 5.1094 5.1094 5.1495 5.1495 5.6573 5.6573 5.7439 5.7439 6.2116 6.2116 6.2165 6.2165 6.6827 6.6827 6.7872 6.7872 10.3381 10.3381 10.3773 10.3773 11.1462 11.1462 11.1831 11.1831 11.5826 11.5826 k = 0.1065 0.2978 0.6426 ( 3552 PWs) bands (ev): -31.4039 -31.4039 -31.4039 -31.4039 -12.6854 -12.6854 -12.6841 -12.6841 -12.3214 -12.3214 -12.3202 -12.3202 -12.2955 -12.2955 -12.2952 -12.2952 4.0790 4.0790 4.1171 4.1171 4.3834 4.3834 4.3937 4.3937 5.0792 5.0792 5.1268 5.1268 5.6503 5.6503 5.7266 5.7266 6.2139 6.2139 6.2158 6.2158 6.6773 6.6773 6.7778 6.7778 10.3297 10.3297 10.3652 10.3652 11.2054 11.2054 11.2282 11.2282 11.5974 11.5974 k = 0.1003 0.2803 0.6426 ( 3554 PWs) bands (ev): -31.4040 -31.4040 -31.4040 -31.4040 -12.6849 -12.6849 -12.6835 -12.6835 -12.3211 -12.3211 -12.3193 -12.3193 -12.2948 -12.2948 -12.2945 -12.2945 4.0797 4.0797 4.1172 4.1172 4.3875 4.3875 4.3946 4.3946 5.0497 5.0497 5.1036 5.1036 5.6441 5.6441 5.7106 5.7106 6.2160 6.2160 6.2170 6.2170 6.6725 6.6725 6.7689 6.7689 10.3198 10.3198 10.3521 10.3521 11.2601 11.2601 11.2676 11.2676 11.6125 11.6126 k = 0.0940 0.2628 0.6426 ( 3558 PWs) bands (ev): -31.4042 -31.4042 -31.4042 -31.4042 -12.6843 -12.6843 -12.6830 -12.6830 -12.3208 -12.3208 -12.3185 -12.3185 -12.2943 -12.2943 -12.2934 -12.2934 4.0802 4.0802 4.1171 4.1171 4.3913 4.3913 4.3953 4.3953 5.0213 5.0213 5.0803 5.0803 5.6387 5.6387 5.6963 5.6963 6.2169 6.2169 6.2207 6.2207 6.6682 6.6682 6.7604 6.7604 10.3090 10.3090 10.3384 10.3384 11.3006 11.3006 11.3088 11.3088 11.6221 11.6221 k = 0.0877 0.2453 0.6426 ( 3550 PWs) bands (ev): -31.4043 -31.4043 -31.4043 -31.4043 -12.6837 -12.6837 -12.6825 -12.6825 -12.3206 -12.3206 -12.3179 -12.3179 -12.2936 -12.2936 -12.2924 -12.2924 4.0808 4.0808 4.1168 4.1168 4.3946 4.3946 4.3957 4.3957 4.9942 4.9942 5.0572 5.0572 5.6341 5.6341 5.6835 5.6835 6.2184 6.2184 6.2247 6.2247 6.6645 6.6645 6.7522 6.7522 10.2976 10.2976 10.3245 10.3245 11.3274 11.3274 11.3500 11.3500 11.6370 11.6370 k = 0.0815 0.2278 0.6426 ( 3558 PWs) bands (ev): -31.4044 -31.4044 -31.4044 -31.4044 -12.6832 -12.6832 -12.6820 -12.6820 -12.3204 -12.3204 -12.3175 -12.3175 -12.2929 -12.2929 -12.2913 -12.2913 4.0813 4.0813 4.1162 4.1162 4.3959 4.3959 4.3974 4.3974 4.9688 4.9688 5.0344 5.0344 5.6300 5.6300 5.6721 5.6721 6.2204 6.2204 6.2288 6.2288 6.6612 6.6612 6.7444 6.7444 10.2861 10.2861 10.3105 10.3105 11.3485 11.3485 11.3827 11.3827 11.6581 11.6581 k = 0.0752 0.2102 0.6426 ( 3562 PWs) bands (ev): -31.4046 -31.4046 -31.4046 -31.4046 -12.6827 -12.6827 -12.6816 -12.6816 -12.3202 -12.3202 -12.3172 -12.3172 -12.2921 -12.2921 -12.2903 -12.2903 4.0818 4.0818 4.1154 4.1154 4.3960 4.3960 4.3997 4.3997 4.9453 4.9453 5.0123 5.0123 5.6265 5.6265 5.6622 5.6622 6.2228 6.2228 6.2329 6.2329 6.6586 6.6586 6.7368 6.7368 10.2746 10.2746 10.2968 10.2968 11.3651 11.3651 11.4068 11.4068 11.6850 11.6850 k = 0.0689 0.1927 0.6426 ( 3562 PWs) bands (ev): -31.4047 -31.4047 -31.4047 -31.4047 -12.6822 -12.6822 -12.6812 -12.6812 -12.3200 -12.3200 -12.3170 -12.3170 -12.2912 -12.2912 -12.2894 -12.2894 4.0824 4.0824 4.1143 4.1143 4.3958 4.3958 4.4015 4.4015 4.9239 4.9239 4.9909 4.9909 5.6235 5.6235 5.6535 5.6535 6.2255 6.2255 6.2368 6.2368 6.6564 6.6564 6.7295 6.7295 10.2634 10.2634 10.2835 10.2835 11.3783 11.3783 11.4235 11.4235 11.7162 11.7162 k = 0.0627 0.1752 0.6426 ( 3554 PWs) bands (ev): -31.4048 -31.4048 -31.4048 -31.4048 -12.6818 -12.6818 -12.6808 -12.6808 -12.3198 -12.3198 -12.3168 -12.3168 -12.2903 -12.2903 -12.2884 -12.2884 4.0829 4.0829 4.1130 4.1130 4.3956 4.3956 4.4027 4.4027 4.9048 4.9048 4.9706 4.9706 5.6209 5.6209 5.6460 5.6460 6.2284 6.2284 6.2406 6.2406 6.6548 6.6548 6.7225 6.7225 10.2527 10.2527 10.2708 10.2708 11.3888 11.3888 11.4346 11.4346 11.7499 11.7499 k = 0.0564 0.1577 0.6426 ( 3554 PWs) bands (ev): -31.4049 -31.4049 -31.4049 -31.4049 -12.6814 -12.6814 -12.6805 -12.6805 -12.3196 -12.3196 -12.3168 -12.3168 -12.2894 -12.2894 -12.2876 -12.2876 4.0835 4.0835 4.1116 4.1116 4.3952 4.3952 4.4034 4.4034 4.8880 4.8880 4.9514 4.9514 5.6187 5.6187 5.6395 5.6395 6.2315 6.2315 6.2440 6.2440 6.6538 6.6538 6.7157 6.7157 10.2427 10.2427 10.2588 10.2588 11.3976 11.3976 11.4417 11.4417 11.7842 11.7842 k = 0.0501 0.1402 0.6426 ( 3550 PWs) bands (ev): -31.4050 -31.4050 -31.4050 -31.4050 -12.6810 -12.6810 -12.6802 -12.6802 -12.3195 -12.3195 -12.3168 -12.3168 -12.2885 -12.2885 -12.2868 -12.2868 4.0842 4.0842 4.1099 4.1099 4.3949 4.3949 4.4036 4.4036 4.8738 4.8738 4.9334 4.9334 5.6169 5.6169 5.6340 5.6340 6.2346 6.2346 6.2470 6.2470 6.6533 6.6533 6.7092 6.7092 10.2335 10.2335 10.2477 10.2477 11.4049 11.4049 11.4460 11.4460 11.8175 11.8175 k = 0.0439 0.1226 0.6426 ( 3554 PWs) bands (ev): -31.4051 -31.4051 -31.4051 -31.4051 -12.6807 -12.6807 -12.6799 -12.6799 -12.3193 -12.3193 -12.3169 -12.3169 -12.2877 -12.2877 -12.2861 -12.2861 4.0850 4.0850 4.1081 4.1081 4.3945 4.3945 4.4033 4.4033 4.8619 4.8619 4.9168 4.9168 5.6154 5.6154 5.6293 5.6293 6.2377 6.2377 6.2496 6.2496 6.6533 6.6533 6.7030 6.7030 10.2252 10.2252 10.2376 10.2376 11.4113 11.4113 11.4484 11.4484 11.8490 11.8490 k = 0.0376 0.1051 0.6426 ( 3554 PWs) bands (ev): -31.4052 -31.4052 -31.4052 -31.4052 -12.6804 -12.6804 -12.6797 -12.6797 -12.3191 -12.3191 -12.3170 -12.3170 -12.2869 -12.2869 -12.2855 -12.2855 4.0859 4.0859 4.1062 4.1062 4.3943 4.3943 4.4027 4.4027 4.8526 4.8526 4.9016 4.9016 5.6142 5.6142 5.6253 5.6253 6.2407 6.2407 6.2517 6.2517 6.6539 6.6539 6.6970 6.6970 10.2179 10.2179 10.2285 10.2285 11.4169 11.4169 11.4495 11.4495 11.8777 11.8777 k = 0.0313 0.0876 0.6426 ( 3556 PWs) bands (ev): -31.4052 -31.4052 -31.4052 -31.4052 -12.6801 -12.6801 -12.6796 -12.6796 -12.3190 -12.3190 -12.3172 -12.3172 -12.2862 -12.2862 -12.2850 -12.2850 4.0869 4.0869 4.1042 4.1042 4.3941 4.3941 4.4018 4.4018 4.8456 4.8456 4.8879 4.8879 5.6133 5.6133 5.6220 5.6220 6.2436 6.2436 6.2534 6.2534 6.6550 6.6550 6.6913 6.6913 10.2118 10.2118 10.2206 10.2206 11.4220 11.4220 11.4495 11.4495 11.9033 11.9033 k = 0.0251 0.0701 0.6426 ( 3548 PWs) bands (ev): -31.4053 -31.4053 -31.4053 -31.4053 -12.6799 -12.6799 -12.6794 -12.6794 -12.3188 -12.3188 -12.3173 -12.3173 -12.2855 -12.2855 -12.2845 -12.2845 4.0880 4.0880 4.1021 4.1021 4.3942 4.3942 4.4007 4.4007 4.8410 4.8410 4.8758 4.8758 5.6127 5.6127 5.6193 5.6193 6.2463 6.2463 6.2545 6.2545 6.6566 6.6566 6.6859 6.6859 10.2069 10.2069 10.2139 10.2139 11.4265 11.4265 11.4488 11.4488 11.9253 11.9253 k = 0.0188 0.0526 0.6426 ( 3548 PWs) bands (ev): -31.4053 -31.4053 -31.4053 -31.4053 -12.6797 -12.6797 -12.6793 -12.6793 -12.3186 -12.3186 -12.3175 -12.3175 -12.2850 -12.2850 -12.2843 -12.2843 4.0893 4.0893 4.1001 4.1001 4.3944 4.3944 4.3995 4.3995 4.8385 4.8385 4.8652 4.8652 5.6124 5.6124 5.6171 5.6171 6.2487 6.2487 6.2551 6.2551 6.6587 6.6587 6.6809 6.6809 10.2032 10.2032 10.2084 10.2084 11.4307 11.4307 11.4475 11.4475 11.9435 11.9435 k = 0.0125 0.0350 0.6426 ( 3550 PWs) bands (ev): -31.4054 -31.4054 -31.4054 -31.4054 -12.6795 -12.6795 -12.6793 -12.6793 -12.3184 -12.3184 -12.3177 -12.3177 -12.2846 -12.2846 -12.2841 -12.2841 4.0908 4.0908 4.0980 4.0980 4.3948 4.3948 4.3983 4.3983 4.8382 4.8382 4.8563 4.8563 5.6124 5.6124 5.6154 5.6154 6.2508 6.2508 6.2552 6.2552 6.6613 6.6613 6.6762 6.6762 10.2007 10.2007 10.2042 10.2042 11.4344 11.4344 11.4457 11.4457 11.9576 11.9576 k = 0.0063 0.0175 0.6426 ( 3550 PWs) bands (ev): -31.4054 -31.4054 -31.4054 -31.4054 -12.6794 -12.6794 -12.6793 -12.6793 -12.3183 -12.3183 -12.3179 -12.3179 -12.2843 -12.2843 -12.2840 -12.2840 4.0924 4.0924 4.0960 4.0960 4.3954 4.3954 4.3972 4.3972 4.8399 4.8399 4.8490 4.8490 5.6126 5.6126 5.6141 5.6141 6.2525 6.2525 6.2547 6.2547 6.6644 6.6644 6.6719 6.6719 10.1996 10.1996 10.2014 10.2014 11.4378 11.4378 11.4435 11.4435 11.9676 11.9683 k = 0.0000 0.0000 0.6426 ( 3546 PWs) bands (ev): -31.4054 -31.4054 -31.4054 -31.4054 -12.6793 -12.6793 -12.6793 -12.6793 -12.3181 -12.3181 -12.3181 -12.3181 -12.2841 -12.2841 -12.2841 -12.2841 4.0942 4.0942 4.0942 4.0942 4.3962 4.3962 4.3962 4.3962 4.8436 4.8436 4.8436 4.8436 5.6132 5.6132 5.6132 5.6132 6.2539 6.2539 6.2539 6.2539 6.6679 6.6679 6.6679 6.6679 10.1998 10.1998 10.1998 10.1998 11.4409 11.4409 11.4409 11.4409 11.9732 11.9732 k = 0.0000 0.0000 0.6426 ( 3546 PWs) bands (ev): -31.4054 -31.4054 -31.4054 -31.4054 -12.6793 -12.6793 -12.6793 -12.6793 -12.3181 -12.3181 -12.3181 -12.3181 -12.2841 -12.2841 -12.2841 -12.2841 4.0942 4.0942 4.0942 4.0942 4.3962 4.3962 4.3962 4.3962 4.8436 4.8436 4.8436 4.8436 5.6132 5.6132 5.6132 5.6132 6.2539 6.2539 6.2539 6.2539 6.6679 6.6679 6.6679 6.6679 10.1998 10.1998 10.1998 10.1998 11.4409 11.4409 11.4409 11.4409 11.9732 11.9732 k = 0.0000 0.0000 0.6242 ( 3550 PWs) bands (ev): -31.4058 -31.4058 -31.4050 -31.4050 -12.6809 -12.6809 -12.6777 -12.6777 -12.3202 -12.3202 -12.3159 -12.3159 -12.2851 -12.2851 -12.2831 -12.2831 4.0814 4.0814 4.1045 4.1045 4.3955 4.3955 4.3965 4.3965 4.7854 4.7854 4.9012 4.9012 5.6070 5.6070 5.6196 5.6196 6.2390 6.2390 6.2675 6.2675 6.6460 6.6460 6.6952 6.6952 10.1413 10.1413 10.2550 10.2550 11.4297 11.4297 11.4562 11.4562 11.9446 11.9446 k = 0.0000 0.0000 0.6059 ( 3554 PWs) bands (ev): -31.4061 -31.4061 -31.4046 -31.4046 -12.6825 -12.6825 -12.6761 -12.6761 -12.3223 -12.3223 -12.3138 -12.3138 -12.2861 -12.2861 -12.2820 -12.2820 4.0661 4.0661 4.1124 4.1124 4.3944 4.3944 4.3964 4.3964 4.7277 4.7277 4.9575 4.9575 5.6010 5.6010 5.6262 5.6262 6.2234 6.2234 6.2798 6.2798 6.6290 6.6290 6.7285 6.7285 10.0809 10.0809 10.3055 10.3055 11.4237 11.4237 11.4748 11.4748 11.9189 11.9189 k = 0.0000 0.0000 0.5875 ( 3554 PWs) bands (ev): -31.4065 -31.4065 -31.4043 -31.4043 -12.6840 -12.6840 -12.6745 -12.6745 -12.3243 -12.3243 -12.3116 -12.3116 -12.2870 -12.2870 -12.2809 -12.2809 4.0480 4.0480 4.1176 4.1176 4.3927 4.3927 4.3959 4.3959 4.6718 4.6718 5.0116 5.0116 5.5952 5.5952 5.6330 5.6330 6.2073 6.2073 6.2904 6.2904 6.6160 6.6160 6.7679 6.7679 10.0199 10.0199 10.3496 10.3496 11.4240 11.4240 11.4961 11.4961 11.8966 11.8966 k = 0.0000 0.0000 0.5692 ( 3550 PWs) bands (ev): -31.4069 -31.4069 -31.4039 -31.4039 -12.6854 -12.6854 -12.6728 -12.6728 -12.3263 -12.3263 -12.3094 -12.3094 -12.2879 -12.2879 -12.2798 -12.2798 4.0268 4.0268 4.1201 4.1201 4.3904 4.3904 4.3951 4.3951 4.6192 4.6192 5.0631 5.0631 5.5895 5.5895 5.6402 5.6402 6.1910 6.1910 6.2994 6.2994 6.6065 6.6065 6.8135 6.8135 9.9595 9.9595 10.3859 10.3859 11.4312 11.4312 11.5195 11.5195 11.8776 11.8776 k = 0.0000 0.0000 0.5508 ( 3546 PWs) bands (ev): -31.4073 -31.4073 -31.4035 -31.4035 -12.6868 -12.6868 -12.6712 -12.6712 -12.3282 -12.3282 -12.3072 -12.3072 -12.2887 -12.2887 -12.2787 -12.2787 4.0017 4.0017 4.1197 4.1197 4.3872 4.3872 4.3939 4.3939 4.5714 4.5714 5.1116 5.1116 5.5841 5.5841 5.6477 5.6477 6.1748 6.1748 6.3068 6.3068 6.5998 6.5998 6.8651 6.8651 9.9007 9.9007 10.4134 10.4134 11.4459 11.4459 11.5450 11.5450 11.8623 11.8623 k = 0.0000 0.0000 0.5324 ( 3554 PWs) bands (ev): -31.4077 -31.4077 -31.4032 -31.4032 -12.6882 -12.6882 -12.6695 -12.6695 -12.3301 -12.3301 -12.3050 -12.3050 -12.2894 -12.2894 -12.2776 -12.2776 3.9722 3.9722 4.1165 4.1165 4.3829 4.3829 4.3924 4.3924 4.5299 4.5299 5.1570 5.1570 5.5789 5.5789 5.6556 5.6556 6.1589 6.1589 6.3127 6.3127 6.5952 6.5952 6.9220 6.9220 9.8445 9.8445 10.4314 10.4314 11.4676 11.4676 11.5727 11.5727 11.8508 11.8508 k = 0.0000 0.0000 0.5141 ( 3556 PWs) bands (ev): -31.4080 -31.4080 -31.4029 -31.4029 -12.6896 -12.6896 -12.6678 -12.6678 -12.3320 -12.3320 -12.3028 -12.3028 -12.2901 -12.2901 -12.2765 -12.2765 3.9376 3.9376 4.1107 4.1107 4.3772 4.3772 4.3906 4.3906 4.4958 4.4958 5.1989 5.1989 5.5739 5.5739 5.6639 5.6639 6.1434 6.1434 6.3173 6.3173 6.5925 6.5925 6.9836 6.9836 9.7919 9.7919 10.4400 10.4400 11.4952 11.4952 11.6030 11.6030 11.8433 11.8433 k = 0.0000 0.0000 0.4957 ( 3556 PWs) bands (ev): -31.4084 -31.4084 -31.4025 -31.4025 -12.6909 -12.6909 -12.6662 -12.6662 -12.3338 -12.3338 -12.3008 -12.3008 -12.2906 -12.2906 -12.2753 -12.2753 3.8977 3.8977 4.1028 4.1028 4.3701 4.3701 4.3885 4.3885 4.4696 4.4696 5.2374 5.2374 5.5694 5.5694 5.6727 5.6727 6.1284 6.1284 6.3207 6.3207 6.5910 6.5910 7.0489 7.0489 9.7438 9.7438 10.4397 10.4397 11.5265 11.5265 11.6369 11.6369 11.8403 11.8403 k = 0.0000 0.0000 0.4774 ( 3560 PWs) bands (ev): -31.4088 -31.4088 -31.4022 -31.4022 -12.6922 -12.6922 -12.6645 -12.6645 -12.3355 -12.3355 -12.2990 -12.2990 -12.2909 -12.2909 -12.2742 -12.2742 3.8527 3.8527 4.0937 4.0937 4.3617 4.3617 4.3861 4.3861 4.4505 4.4505 5.2726 5.2726 5.5654 5.5654 5.6819 5.6819 6.1140 6.1140 6.3231 6.3231 6.5906 6.5906 7.1168 7.1168 9.7013 9.7013 10.4314 10.4314 11.5589 11.5589 11.6749 11.6749 11.8421 11.8421 k = 0.0000 0.0000 0.4590 ( 3564 PWs) bands (ev): -31.4092 -31.4092 -31.4019 -31.4019 -12.6934 -12.6934 -12.6628 -12.6628 -12.3372 -12.3372 -12.2975 -12.2975 -12.2908 -12.2908 -12.2731 -12.2731 3.8033 3.8033 4.0838 4.0838 4.3527 4.3527 4.3834 4.3834 4.4370 4.4370 5.3043 5.3043 5.5620 5.5620 5.6916 5.6916 6.1003 6.1003 6.3246 6.3246 6.5909 6.5909 7.1861 7.1861 9.6653 9.6653 10.4165 10.4165 11.5903 11.5903 11.7166 11.7166 11.8501 11.8501 k = 0.0000 0.0000 0.4406 ( 3556 PWs) bands (ev): -31.4095 -31.4095 -31.4016 -31.4016 -12.6946 -12.6946 -12.6612 -12.6612 -12.3388 -12.3388 -12.2966 -12.2966 -12.2900 -12.2900 -12.2719 -12.2719 3.7504 3.7504 4.0740 4.0740 4.3436 4.3436 4.3804 4.3804 4.4273 4.4273 5.3326 5.3326 5.5596 5.5596 5.7017 5.7017 6.0873 6.0873 6.3255 6.3255 6.5917 6.5917 7.2554 7.2554 9.6368 9.6368 10.3960 10.3960 11.6200 11.6200 11.7586 11.7586 11.8670 11.8670 k = 0.0000 0.0000 0.4223 ( 3555 PWs) bands (ev): -31.4099 -31.4099 -31.4013 -31.4013 -12.6957 -12.6957 -12.6595 -12.6595 -12.3404 -12.3404 -12.2963 -12.2963 -12.2886 -12.2886 -12.2708 -12.2708 3.6951 3.6951 4.0645 4.0645 4.3349 4.3349 4.3772 4.3772 4.4199 4.4199 5.3575 5.3575 5.5582 5.5582 5.7122 5.7122 6.0752 6.0752 6.3257 6.3257 6.5928 6.5928 7.3234 7.3234 9.6168 9.6168 10.3711 10.3711 11.6479 11.6479 11.7953 11.7953 11.8969 11.8969 k = 0.0000 0.0000 0.4039 ( 3553 PWs) bands (ev): -31.4102 -31.4102 -31.4010 -31.4010 -12.6968 -12.6968 -12.6579 -12.6579 -12.3418 -12.3418 -12.2964 -12.2964 -12.2868 -12.2868 -12.2697 -12.2697 3.6384 3.6384 4.0557 4.0557 4.3265 4.3265 4.3738 4.3738 4.4139 4.4139 5.3788 5.3788 5.5581 5.5581 5.7231 5.7231 6.0639 6.0639 6.3255 6.3255 6.5942 6.5942 7.3886 7.3886 9.6064 9.6064 10.3429 10.3429 11.6747 11.6747 11.8235 11.8235 11.9409 11.9409 k = 0.0000 0.0000 0.3856 ( 3547 PWs) bands (ev): -31.4105 -31.4105 -31.4007 -31.4007 -12.6979 -12.6979 -12.6563 -12.6563 -12.3432 -12.3432 -12.2967 -12.2967 -12.2848 -12.2848 -12.2686 -12.2686 3.5811 3.5811 4.0477 4.0477 4.3185 4.3185 4.3702 4.3702 4.4085 4.4085 5.3966 5.3966 5.5596 5.5596 5.7341 5.7341 6.0536 6.0536 6.3249 6.3249 6.5956 6.5956 7.4497 7.4497 9.6064 9.6064 10.3124 10.3124 11.7008 11.7008 11.8466 11.8466 11.9944 11.9944 k = 0.0000 0.0000 0.3672 ( 3549 PWs) bands (ev): -31.4109 -31.4109 -31.4005 -31.4005 -12.6988 -12.6988 -12.6547 -12.6547 -12.3446 -12.3446 -12.2970 -12.2970 -12.2829 -12.2829 -12.2675 -12.2675 3.5240 3.5240 4.0406 4.0406 4.3106 4.3106 4.3664 4.3664 4.4035 4.4035 5.4110 5.4110 5.5629 5.5629 5.7452 5.7452 6.0444 6.0444 6.3242 6.3242 6.5971 6.5971 7.5054 7.5054 9.6174 9.6174 10.2804 10.2804 11.7267 11.7267 11.8683 11.8683 12.0521 12.0521 k = 0.0000 0.0000 0.3488 ( 3545 PWs) bands (ev): -31.4112 -31.4112 -31.4002 -31.4002 -12.6998 -12.6998 -12.6532 -12.6532 -12.3458 -12.3458 -12.2973 -12.2973 -12.2808 -12.2808 -12.2665 -12.2665 3.4677 3.4677 4.0345 4.0345 4.3026 4.3026 4.3624 4.3624 4.3986 4.3986 5.4220 5.4220 5.5678 5.5678 5.7560 5.7560 6.0364 6.0364 6.3234 6.3234 6.5985 6.5985 7.5547 7.5547 9.6398 9.6398 10.2480 10.2480 11.7525 11.7525 11.8904 11.8904 12.1111 12.1111 k = 0.0000 0.0000 0.3305 ( 3535 PWs) bands (ev): -31.4115 -31.4115 -31.4000 -31.4000 -12.7006 -12.7006 -12.6517 -12.6517 -12.3470 -12.3470 -12.2976 -12.2976 -12.2788 -12.2788 -12.2655 -12.2655 3.4126 3.4126 4.0294 4.0294 4.2945 4.2945 4.3584 4.3584 4.3938 4.3938 5.4301 5.4301 5.5742 5.5742 5.7663 5.7663 6.0295 6.0295 6.3228 6.3228 6.5997 6.5997 7.5971 7.5971 9.6732 9.6732 10.2162 10.2162 11.7783 11.7783 11.9139 11.9139 12.1696 12.1696 k = 0.0000 0.0000 0.3121 ( 3537 PWs) bands (ev): -31.4118 -31.4118 -31.3997 -31.3997 -12.7015 -12.7015 -12.6503 -12.6503 -12.3482 -12.3482 -12.2979 -12.2979 -12.2769 -12.2769 -12.2645 -12.2645 3.3592 3.3592 4.0254 4.0254 4.2862 4.2862 4.3543 4.3543 4.3888 4.3888 5.4359 5.4359 5.5818 5.5818 5.7758 5.7758 6.0238 6.0238 6.3228 6.3228 6.6007 6.6007 7.6322 7.6322 9.7165 9.7165 10.1864 10.1864 11.8040 11.8040 11.9392 11.9392 12.2267 12.2267 k = 0.0000 0.0000 0.2938 ( 3545 PWs) bands (ev): -31.4121 -31.4121 -31.3995 -31.3995 -12.7023 -12.7023 -12.6490 -12.6490 -12.3493 -12.3493 -12.2983 -12.2983 -12.2750 -12.2750 -12.2636 -12.2636 3.3077 3.3077 4.0224 4.0224 4.2775 4.2775 4.3501 4.3501 4.3838 4.3838 5.4398 5.4398 5.5902 5.5902 5.7843 5.7843 6.0192 6.0192 6.3234 6.3234 6.6014 6.6014 7.6601 7.6601 9.7671 9.7671 10.1614 10.1614 11.8294 11.8294 11.9664 11.9664 12.2816 12.2816 k = 0.0000 0.0000 0.2754 ( 3549 PWs) bands (ev): -31.4124 -31.4124 -31.3993 -31.3993 -12.7031 -12.7031 -12.6477 -12.6477 -12.3503 -12.3503 -12.2986 -12.2986 -12.2731 -12.2731 -12.2627 -12.2627 3.2585 3.2585 4.0205 4.0205 4.2685 4.2685 4.3460 4.3460 4.3788 4.3788 5.4423 5.4423 5.5990 5.5990 5.7914 5.7914 6.0155 6.0155 6.3251 6.3251 6.6017 6.6017 7.6813 7.6813 9.8196 9.8196 10.1458 10.1458 11.8540 11.8540 11.9957 11.9957 12.3338 12.3338 k = 0.0000 0.0000 0.2570 ( 3545 PWs) bands (ev): -31.4126 -31.4126 -31.3991 -31.3991 -12.7038 -12.7038 -12.6464 -12.6464 -12.3513 -12.3513 -12.2988 -12.2988 -12.2714 -12.2714 -12.2618 -12.2618 3.2117 3.2117 4.0195 4.0195 4.2591 4.2591 4.3419 4.3419 4.3738 4.3738 5.4440 5.4440 5.6080 5.6080 5.7972 5.7972 6.0126 6.0126 6.3280 6.3280 6.6016 6.6016 7.6963 7.6963 9.8640 9.8640 10.1490 10.1490 11.8776 11.8776 12.0272 12.0272 12.3830 12.3830 k = 0.0000 0.0000 0.2387 ( 3539 PWs) bands (ev): -31.4129 -31.4129 -31.3989 -31.3989 -12.7044 -12.7044 -12.6452 -12.6452 -12.3522 -12.3522 -12.2990 -12.2990 -12.2697 -12.2697 -12.2610 -12.2610 3.1676 3.1676 4.0197 4.0197 4.2492 4.2492 4.3378 4.3378 4.3688 4.3688 5.4451 5.4451 5.6170 5.6170 5.8016 5.8016 6.0100 6.0100 6.3325 6.3325 6.6011 6.6011 7.7061 7.7061 9.8882 9.8882 10.1822 10.1822 11.8998 11.8998 12.0607 12.0607 12.4287 12.4287 k = 0.0000 0.0000 0.2203 ( 3551 PWs) bands (ev): -31.4131 -31.4131 -31.3988 -31.3988 -12.7051 -12.7051 -12.6441 -12.6441 -12.3530 -12.3530 -12.2993 -12.2993 -12.2681 -12.2681 -12.2602 -12.2602 3.1263 3.1263 4.0208 4.0208 4.2390 4.2390 4.3339 4.3339 4.3639 4.3639 5.4458 5.4458 5.6259 5.6259 5.8046 5.8046 6.0074 6.0074 6.3387 6.3387 6.6000 6.6000 7.7116 7.7116 9.8897 9.8897 10.2465 10.2465 11.9203 11.9203 12.0958 12.0958 12.4708 12.4708 k = 0.0000 0.0000 0.2020 ( 3551 PWs) bands (ev): -31.4133 -31.4133 -31.3986 -31.3986 -12.7056 -12.7056 -12.6431 -12.6431 -12.3538 -12.3538 -12.2995 -12.2995 -12.2666 -12.2666 -12.2596 -12.2596 3.0878 3.0878 4.0229 4.0229 4.2284 4.2284 4.3301 4.3301 4.3592 4.3592 5.4462 5.4462 5.6346 5.6346 5.8064 5.8064 6.0045 6.0045 6.3467 6.3467 6.5983 6.5983 7.7135 7.7135 9.8769 9.8769 10.3326 10.3326 11.9386 11.9386 12.1323 12.1323 12.5087 12.5087 k = 0.0000 0.0000 0.1836 ( 3555 PWs) bands (ev): -31.4135 -31.4135 -31.3985 -31.3985 -12.7061 -12.7061 -12.6422 -12.6422 -12.3545 -12.3545 -12.2996 -12.2996 -12.2652 -12.2652 -12.2589 -12.2589 3.0524 3.0524 4.0260 4.0260 4.2175 4.2175 4.3265 4.3265 4.3547 4.3547 5.4465 5.4465 5.6431 5.6431 5.8073 5.8073 6.0012 6.0012 6.3563 6.3563 6.5959 6.5959 7.7129 7.7129 9.8575 9.8575 10.4315 10.4315 11.9543 11.9543 12.1696 12.1696 12.5417 12.5417 k = 0.0000 0.0000 0.1652 ( 3555 PWs) bands (ev): -31.4137 -31.4137 -31.3984 -31.3984 -12.7066 -12.7066 -12.6413 -12.6413 -12.3551 -12.3551 -12.2998 -12.2998 -12.2640 -12.2640 -12.2583 -12.2583 3.0201 3.0201 4.0300 4.0300 4.2063 4.2063 4.3232 4.3232 4.3505 4.3505 5.4467 5.4467 5.6513 5.6513 5.8074 5.8074 5.9973 5.9973 6.3674 6.3674 6.5929 6.5929 7.7103 7.7103 9.8358 9.8358 10.5377 10.5377 11.9667 11.9667 12.2071 12.2071 12.5659 12.5659 k = 0.0000 0.0000 0.1469 ( 3553 PWs) bands (ev): -31.4138 -31.4138 -31.3982 -31.3982 -12.7070 -12.7070 -12.6405 -12.6405 -12.3556 -12.3556 -12.2999 -12.2999 -12.2628 -12.2628 -12.2578 -12.2578 2.9910 2.9910 4.0349 4.0349 4.1948 4.1948 4.3201 4.3201 4.3467 4.3467 5.4469 5.4469 5.6592 5.6592 5.8069 5.8069 5.9928 5.9928 6.3797 6.3797 6.5892 6.5892 7.7065 7.7065 9.8140 9.8140 10.6479 10.6479 11.9749 11.9749 12.2441 12.2441 12.5626 12.5626 k = 0.0000 0.0000 0.1285 ( 3555 PWs) bands (ev): -31.4140 -31.4140 -31.3981 -31.3981 -12.7074 -12.7074 -12.6398 -12.6398 -12.3561 -12.3561 -12.3000 -12.3000 -12.2618 -12.2618 -12.2573 -12.2573 2.9652 2.9652 4.0407 4.0407 4.1832 4.1832 4.3173 4.3173 4.3431 4.3431 5.4471 5.4471 5.6667 5.6667 5.8060 5.8060 5.9880 5.9880 6.3928 6.3928 6.5848 6.5848 7.7020 7.7020 9.7932 9.7932 10.7595 10.7595 11.9778 11.9778 12.2797 12.2797 12.5262 12.5262 k = 0.0000 0.0000 0.1102 ( 3553 PWs) bands (ev): -31.4141 -31.4141 -31.3980 -31.3980 -12.7077 -12.7077 -12.6392 -12.6392 -12.3565 -12.3565 -12.3001 -12.3001 -12.2609 -12.2609 -12.2569 -12.2569 2.9428 2.9428 4.0472 4.0472 4.1715 4.1715 4.3148 4.3148 4.3400 4.3400 5.4473 5.4473 5.6738 5.6738 5.8049 5.8049 5.9830 5.9830 6.4064 6.4064 6.5797 6.5797 7.6972 7.6972 9.7742 9.7742 10.8704 10.8704 11.9740 11.9740 12.3132 12.3132 12.4835 12.4835 k = 0.0000 0.0000 0.0918 ( 3549 PWs) bands (ev): -31.4142 -31.4142 -31.3980 -31.3980 -12.7079 -12.7079 -12.6387 -12.6387 -12.3569 -12.3569 -12.3001 -12.3001 -12.2601 -12.2601 -12.2565 -12.2565 2.9237 2.9237 4.0546 4.0546 4.1597 4.1597 4.3126 4.3126 4.3374 4.3374 5.4474 5.4474 5.6802 5.6802 5.8036 5.8036 5.9780 5.9780 6.4199 6.4199 6.5741 6.5741 7.6927 7.6927 9.7574 9.7574 10.9782 10.9782 11.9621 11.9621 12.3431 12.3431 12.4439 12.4439 k = 0.0000 0.0000 0.0734 ( 3557 PWs) bands (ev): -31.4143 -31.4143 -31.3979 -31.3979 -12.7082 -12.7082 -12.6382 -12.6382 -12.3572 -12.3572 -12.3002 -12.3002 -12.2595 -12.2595 -12.2562 -12.2562 2.9080 2.9080 4.0626 4.0626 4.1480 4.1480 4.3108 4.3108 4.3351 4.3351 5.4476 5.4476 5.6859 5.6859 5.8023 5.8023 5.9735 5.9735 6.4328 6.4328 6.5681 6.5681 7.6885 7.6885 9.7433 9.7433 11.0803 11.0803 11.9413 11.9413 12.3668 12.3668 12.4126 12.4126 k = 0.0000 0.0000 0.0551 ( 3559 PWs) bands (ev): -31.4144 -31.4144 -31.3979 -31.3979 -12.7083 -12.7083 -12.6379 -12.6379 -12.3574 -12.3574 -12.3002 -12.3002 -12.2590 -12.2590 -12.2560 -12.2560 2.8958 2.8958 4.0712 4.0712 4.1366 4.1366 4.3094 4.3094 4.3334 4.3334 5.4477 5.4477 5.6906 5.6906 5.8011 5.8011 5.9696 5.9696 6.4445 6.4445 6.5621 6.5621 7.6851 7.6851 9.7321 9.7321 11.1729 11.1729 11.9129 11.9129 12.3706 12.3706 12.4043 12.4043 k = 0.0000 0.0000 0.0367 ( 3579 PWs) bands (ev): -31.4145 -31.4145 -31.3978 -31.3978 -12.7085 -12.7085 -12.6378 -12.6378 -12.3576 -12.3576 -12.3003 -12.3003 -12.2588 -12.2588 -12.2559 -12.2559 2.8870 2.8870 4.0802 4.0802 4.1255 4.1255 4.3083 4.3083 4.3321 4.3321 5.4477 5.4477 5.6942 5.6942 5.8002 5.8002 5.9666 5.9666 6.4541 6.4541 6.5567 6.5567 7.6825 7.6825 9.7240 9.7240 11.2503 11.2503 11.8812 11.8812 12.3572 12.3572 12.4157 12.4157 k = 0.0000 0.0000 0.0184 ( 3579 PWs) bands (ev): -31.4145 -31.4145 -31.3978 -31.3978 -12.7085 -12.7085 -12.6376 -12.6376 -12.3577 -12.3577 -12.3003 -12.3003 -12.2585 -12.2585 -12.2558 -12.2558 2.8818 2.8818 4.0891 4.0891 4.1153 4.1153 4.3077 4.3077 4.3314 4.3314 5.4478 5.4478 5.6964 5.6964 5.7995 5.7995 5.9647 5.9647 6.4606 6.4606 6.5529 6.5529 7.6809 7.6809 9.7190 9.7190 11.3041 11.3041 11.8547 11.8547 12.3477 12.3477 12.4250 12.4250 k = 0.0000 0.0000 0.0000 ( 3577 PWs) bands (ev): -31.4145 -31.4145 -31.3978 -31.3978 -12.7086 -12.7086 -12.6376 -12.6376 -12.3577 -12.3577 -12.3003 -12.3003 -12.2585 -12.2585 -12.2558 -12.2558 2.8800 2.8800 4.0944 4.0944 4.1096 4.1096 4.3075 4.3075 4.3311 4.3311 5.4478 5.4478 5.6971 5.6971 5.7993 5.7993 5.9641 5.9641 6.4629 6.4629 6.5514 6.5514 7.6804 7.6804 9.7174 9.7174 11.3237 11.3237 11.8441 11.8441 12.3445 12.3445 12.4282 12.4282 k = 0.0000 0.0000 0.0000 ( 3577 PWs) bands (ev): -31.4145 -31.4145 -31.3978 -31.3978 -12.7086 -12.7086 -12.6376 -12.6376 -12.3577 -12.3577 -12.3003 -12.3003 -12.2585 -12.2585 -12.2558 -12.2558 2.8800 2.8800 4.0944 4.0944 4.1096 4.1096 4.3075 4.3075 4.3311 4.3311 5.4478 5.4478 5.6971 5.6971 5.7993 5.7993 5.9641 5.9641 6.4629 6.4629 6.5514 6.5514 7.6804 7.6804 9.7174 9.7174 11.3237 11.3237 11.8441 11.8441 12.3445 12.3445 12.4282 12.4282 k =-0.0172 0.0062 0.0000 ( 3581 PWs) bands (ev): -31.4145 -31.4145 -31.3978 -31.3978 -12.7085 -12.7085 -12.6377 -12.6377 -12.3576 -12.3576 -12.3003 -12.3003 -12.2586 -12.2586 -12.2559 -12.2559 2.8814 2.8814 4.0945 4.0945 4.1099 4.1099 4.3073 4.3073 4.3310 4.3310 5.4478 5.4478 5.6965 5.6965 5.7995 5.7995 5.9641 5.9641 6.4627 6.4627 6.5510 6.5510 7.6751 7.6751 9.7220 9.7220 11.3231 11.3231 11.8438 11.8438 12.3454 12.3454 12.4296 12.4296 k =-0.0345 0.0123 0.0000 ( 3575 PWs) bands (ev): -31.4145 -31.4145 -31.3978 -31.3978 -12.7084 -12.7084 -12.6378 -12.6378 -12.3574 -12.3574 -12.3002 -12.3002 -12.2587 -12.2587 -12.2559 -12.2559 2.8854 2.8854 4.0949 4.0949 4.1107 4.1107 4.3069 4.3069 4.3306 4.3306 5.4479 5.4479 5.6947 5.6947 5.8000 5.8000 5.9642 5.9642 6.4622 6.4622 6.5498 6.5498 7.6595 7.6595 9.7357 9.7357 11.3213 11.3213 11.8428 11.8428 12.3480 12.3480 12.4338 12.4338 k =-0.0517 0.0185 0.0000 ( 3571 PWs) bands (ev): -31.4144 -31.4144 -31.3979 -31.3979 -12.7081 -12.7081 -12.6380 -12.6380 -12.3571 -12.3571 -12.3002 -12.3002 -12.2590 -12.2590 -12.2561 -12.2561 2.8922 2.8922 4.0956 4.0956 4.1121 4.1121 4.3061 4.3061 4.3299 4.3299 5.4480 5.4480 5.6917 5.6917 5.8008 5.8008 5.9645 5.9645 6.4612 6.4612 6.5478 6.5478 7.6340 7.6340 9.7580 9.7580 11.3184 11.3184 11.8412 11.8412 12.3524 12.3524 12.4408 12.4408 k =-0.0690 0.0247 0.0000 ( 3573 PWs) bands (ev): -31.4143 -31.4143 -31.3980 -31.3980 -12.7078 -12.7078 -12.6384 -12.6384 -12.3567 -12.3567 -12.3001 -12.3001 -12.2595 -12.2595 -12.2564 -12.2564 2.9016 2.9016 4.0965 4.0965 4.1140 4.1140 4.3049 4.3049 4.3289 4.3289 5.4481 5.4481 5.6876 5.6876 5.8018 5.8018 5.9648 5.9648 6.4598 6.4598 6.5452 6.5452 7.5996 7.5996 9.7882 9.7882 11.3143 11.3143 11.8392 11.8392 12.3586 12.3586 12.4504 12.4504 k =-0.0862 0.0308 0.0000 ( 3577 PWs) bands (ev): -31.4142 -31.4142 -31.3981 -31.3981 -12.7075 -12.7075 -12.6389 -12.6389 -12.3562 -12.3562 -12.3000 -12.3000 -12.2601 -12.2601 -12.2567 -12.2567 2.9137 2.9137 4.0977 4.0977 4.1163 4.1163 4.3035 4.3035 4.3277 4.3277 5.4483 5.4483 5.6823 5.6823 5.8031 5.8031 5.9652 5.9652 6.4579 6.4579 6.5419 6.5419 7.5573 7.5573 9.8252 9.8252 11.3091 11.3091 11.8367 11.8367 12.3666 12.3666 12.4628 12.4628 k =-0.1034 0.0370 0.0000 ( 3577 PWs) bands (ev): -31.4141 -31.4141 -31.3982 -31.3982 -12.7070 -12.7070 -12.6395 -12.6395 -12.3555 -12.3555 -12.2998 -12.2998 -12.2609 -12.2609 -12.2570 -12.2570 2.9282 2.9282 4.0992 4.0992 4.1191 4.1191 4.3019 4.3019 4.3263 4.3263 5.4485 5.4485 5.6760 5.6760 5.8045 5.8045 5.9658 5.9658 6.4553 6.4553 6.5380 6.5380 7.5081 7.5081 9.8681 9.8681 11.3029 11.3029 11.8340 11.8340 12.3763 12.3763 12.4777 12.4777 k =-0.1207 0.0432 0.0000 ( 3561 PWs) bands (ev): -31.4139 -31.4139 -31.3983 -31.3983 -12.7063 -12.7063 -12.6401 -12.6401 -12.3546 -12.3546 -12.2996 -12.2996 -12.2619 -12.2619 -12.2572 -12.2572 2.9453 2.9453 4.1009 4.1009 4.1224 4.1224 4.2999 4.2999 4.3246 4.3246 5.4488 5.4488 5.6688 5.6688 5.8061 5.8061 5.9665 5.9665 6.4520 6.4520 6.5337 6.5337 7.4534 7.4534 9.9160 9.9160 11.2959 11.2959 11.8311 11.8311 12.3878 12.3878 12.4951 12.4951 k =-0.1379 0.0493 0.0000 ( 3561 PWs) bands (ev): -31.4137 -31.4137 -31.3985 -31.3985 -12.7057 -12.7057 -12.6409 -12.6409 -12.3537 -12.3537 -12.2994 -12.2994 -12.2630 -12.2630 -12.2575 -12.2575 2.9646 2.9646 4.1029 4.1029 4.1260 4.1260 4.2978 4.2978 4.3227 4.3227 5.4490 5.4490 5.6605 5.6605 5.8077 5.8077 5.9673 5.9673 6.4479 6.4479 6.5291 6.5291 7.3942 7.3942 9.9677 9.9677 11.2881 11.2881 11.8282 11.8282 12.4009 12.4009 12.5149 12.5149 k =-0.1552 0.0555 0.0000 ( 3547 PWs) bands (ev): -31.4135 -31.4135 -31.3987 -31.3987 -12.7049 -12.7049 -12.6417 -12.6417 -12.3527 -12.3527 -12.2992 -12.2992 -12.2643 -12.2643 -12.2578 -12.2578 2.9863 2.9863 4.1050 4.1050 4.1301 4.1301 4.2955 4.2955 4.3207 4.3207 5.4493 5.4493 5.6513 5.6513 5.8094 5.8094 5.9683 5.9683 6.4427 6.4427 6.5243 6.5243 7.3318 7.3318 10.0225 10.0225 11.2796 11.2796 11.8254 11.8254 12.4157 12.4157 12.5369 12.5369 k =-0.1724 0.0617 0.0000 ( 3547 PWs) bands (ev): -31.4133 -31.4133 -31.3989 -31.3989 -12.7041 -12.7041 -12.6426 -12.6426 -12.3515 -12.3515 -12.2990 -12.2990 -12.2658 -12.2658 -12.2581 -12.2581 3.0100 3.0100 4.1074 4.1074 4.1344 4.1344 4.2930 4.2930 4.3185 4.3185 5.4496 5.4496 5.6411 5.6411 5.8111 5.8111 5.9694 5.9694 6.4364 6.4364 6.5195 6.5195 7.2671 7.2671 10.0794 10.0794 11.2706 11.2706 11.8228 11.8228 12.4319 12.4319 12.5608 12.5608 k =-0.1897 0.0678 0.0000 ( 3559 PWs) bands (ev): -31.4131 -31.4131 -31.3991 -31.3991 -12.7033 -12.7033 -12.6437 -12.6437 -12.3503 -12.3503 -12.2988 -12.2988 -12.2674 -12.2674 -12.2584 -12.2584 3.0356 3.0356 4.1099 4.1099 4.1391 4.1391 4.2904 4.2904 4.3162 4.3162 5.4499 5.4499 5.6299 5.6299 5.8129 5.8129 5.9707 5.9707 6.4288 6.4288 6.5146 6.5146 7.2013 7.2013 10.1378 10.1378 11.2614 11.2614 11.8204 11.8204 12.4496 12.4496 12.5864 12.5864 k =-0.2069 0.0740 0.0000 ( 3561 PWs) bands (ev): -31.4128 -31.4128 -31.3993 -31.3993 -12.7023 -12.7023 -12.6448 -12.6448 -12.3489 -12.3489 -12.2985 -12.2985 -12.2692 -12.2692 -12.2587 -12.2587 3.0630 3.0630 4.1125 4.1125 4.1441 4.1441 4.2877 4.2877 4.3138 4.3138 5.4502 5.4502 5.6177 5.6177 5.8146 5.8146 5.9723 5.9723 6.4199 6.4199 6.5098 6.5098 7.1354 7.1354 10.1970 10.1970 11.2520 11.2520 11.8183 11.8183 12.4684 12.4684 12.6135 12.6135 k =-0.2241 0.0802 0.0000 ( 3561 PWs) bands (ev): -31.4126 -31.4126 -31.3996 -31.3996 -12.7013 -12.7013 -12.6460 -12.6460 -12.3474 -12.3474 -12.2983 -12.2983 -12.2711 -12.2711 -12.2591 -12.2591 3.0920 3.0920 4.1152 4.1152 4.1493 4.1493 4.2849 4.2849 4.3113 4.3113 5.4505 5.4505 5.6045 5.6045 5.8164 5.8164 5.9741 5.9741 6.4095 6.4095 6.5050 6.5050 7.0703 7.0703 10.2565 10.2565 11.2428 11.2428 11.8167 11.8167 12.4883 12.4883 12.6413 12.6413 k =-0.2414 0.0863 0.0000 ( 3559 PWs) bands (ev): -31.4123 -31.4123 -31.3999 -31.3999 -12.7001 -12.7001 -12.6473 -12.6473 -12.3458 -12.3458 -12.2980 -12.2980 -12.2731 -12.2731 -12.2594 -12.2594 3.1222 3.1222 4.1180 4.1180 4.1547 4.1547 4.2822 4.2822 4.3088 4.3088 5.4508 5.4508 5.5903 5.5903 5.8181 5.8181 5.9761 5.9761 6.3976 6.3976 6.5002 6.5002 7.0070 7.0070 10.3156 10.3156 11.2339 11.2339 11.8154 11.8154 12.5089 12.5089 12.6691 12.6691 k =-0.2586 0.0925 0.0000 ( 3559 PWs) bands (ev): -31.4120 -31.4120 -31.4001 -31.4001 -12.6989 -12.6989 -12.6486 -12.6486 -12.3441 -12.3441 -12.2977 -12.2977 -12.2752 -12.2752 -12.2598 -12.2598 3.1535 3.1535 4.1207 4.1207 4.1604 4.1604 4.2794 4.2794 4.3063 4.3063 5.4510 5.4510 5.5750 5.5750 5.8199 5.8199 5.9785 5.9785 6.3842 6.3842 6.4952 6.4952 6.9465 6.9465 10.3738 10.3738 11.2256 11.2256 11.8146 11.8146 12.5300 12.5300 12.6949 12.6949 k =-0.2759 0.0987 0.0000 ( 3567 PWs) bands (ev): -31.4117 -31.4117 -31.4004 -31.4004 -12.6977 -12.6977 -12.6501 -12.6501 -12.3423 -12.3423 -12.2974 -12.2974 -12.2775 -12.2775 -12.2601 -12.2601 3.1854 3.1854 4.1235 4.1235 4.1663 4.1663 4.2768 4.2768 4.3039 4.3039 5.4511 5.4511 5.5586 5.5586 5.8216 5.8216 5.9812 5.9812 6.3692 6.3692 6.4900 6.4900 6.8896 6.8896 10.4307 10.4307 11.2181 11.2181 11.8141 11.8141 12.5510 12.5510 12.7136 12.7136 k =-0.2931 0.1048 0.0000 ( 3565 PWs) bands (ev): -31.4114 -31.4114 -31.4007 -31.4007 -12.6964 -12.6964 -12.6515 -12.6515 -12.3404 -12.3404 -12.2971 -12.2971 -12.2798 -12.2798 -12.2605 -12.2605 3.2178 3.2178 4.1261 4.1261 4.1722 4.1722 4.2743 4.2743 4.3014 4.3014 5.4512 5.4512 5.5413 5.5413 5.8233 5.8233 5.9843 5.9843 6.3526 6.3526 6.4844 6.4844 6.8373 6.8373 10.4857 10.4857 11.2119 11.2119 11.8141 11.8141 12.5713 12.5713 12.7141 12.7141 k =-0.3103 0.1110 0.0000 ( 3570 PWs) bands (ev): -31.4110 -31.4110 -31.4011 -31.4011 -12.6951 -12.6951 -12.6531 -12.6531 -12.3385 -12.3385 -12.2969 -12.2969 -12.2822 -12.2822 -12.2608 -12.2608 3.2501 3.2501 4.1287 4.1287 4.1783 4.1783 4.2719 4.2719 4.2991 4.2991 5.4511 5.4511 5.5229 5.5229 5.8249 5.8249 5.9878 5.9878 6.3344 6.3344 6.4783 6.4783 6.7903 6.7903 10.5383 10.5383 11.2072 11.2072 11.8144 11.8144 12.5889 12.5889 12.6919 12.6919 k =-0.3276 0.1172 0.0000 ( 3574 PWs) bands (ev): -31.4107 -31.4107 -31.4014 -31.4014 -12.6937 -12.6937 -12.6546 -12.6546 -12.3364 -12.3364 -12.2966 -12.2966 -12.2846 -12.2846 -12.2611 -12.2611 3.2821 3.2821 4.1311 4.1311 4.1844 4.1844 4.2697 4.2697 4.2968 4.2968 5.4509 5.4509 5.5039 5.5039 5.8265 5.8265 5.9918 5.9918 6.3147 6.3147 6.4717 6.4717 6.7492 6.7492 10.5879 10.5879 11.2042 11.2042 11.8149 11.8149 12.5963 12.5963 12.6646 12.6646 k =-0.3448 0.1233 0.0000 ( 3570 PWs) bands (ev): -31.4103 -31.4103 -31.4017 -31.4017 -12.6922 -12.6922 -12.6561 -12.6561 -12.3343 -12.3343 -12.2963 -12.2963 -12.2871 -12.2871 -12.2614 -12.2614 3.3131 3.3131 4.1333 4.1333 4.1906 4.1906 4.2678 4.2678 4.2947 4.2947 5.4502 5.4502 5.4847 5.4847 5.8281 5.8281 5.9963 5.9963 6.2936 6.2936 6.4647 6.4647 6.7143 6.7143 10.6339 10.6339 11.2034 11.2034 11.8157 11.8157 12.5746 12.5746 12.6591 12.6591 k =-0.3621 0.1295 0.0000 ( 3576 PWs) bands (ev): -31.4100 -31.4100 -31.4020 -31.4020 -12.6908 -12.6908 -12.6578 -12.6578 -12.3320 -12.3320 -12.2961 -12.2961 -12.2897 -12.2897 -12.2617 -12.2617 3.3428 3.3428 4.1353 4.1353 4.1966 4.1966 4.2662 4.2662 4.2927 4.2927 5.4477 5.4477 5.4669 5.4669 5.8296 5.8296 6.0013 6.0013 6.2717 6.2717 6.4573 6.4573 6.6854 6.6854 10.6757 10.6757 11.2050 11.2050 11.8166 11.8166 12.5320 12.5320 12.6710 12.6710 k =-0.3793 0.1357 0.0000 ( 3578 PWs) bands (ev): -31.4097 -31.4097 -31.4024 -31.4024 -12.6894 -12.6894 -12.6593 -12.6593 -12.3298 -12.3298 -12.2960 -12.2960 -12.2923 -12.2923 -12.2620 -12.2620 3.3707 3.3707 4.1371 4.1371 4.2024 4.2024 4.2648 4.2648 4.2908 4.2908 5.4377 5.4377 5.4567 5.4567 5.8309 5.8309 6.0070 6.0070 6.2493 6.2493 6.4499 6.4499 6.6621 6.6621 10.7128 10.7128 11.2090 11.2090 11.8177 11.8177 12.4848 12.4848 12.6864 12.6864 k =-0.3966 0.1418 0.0000 ( 3586 PWs) bands (ev): -31.4093 -31.4093 -31.4027 -31.4027 -12.6879 -12.6879 -12.6609 -12.6609 -12.3274 -12.3274 -12.2961 -12.2961 -12.2946 -12.2946 -12.2623 -12.2623 3.3962 3.3962 4.1387 4.1387 4.2078 4.2078 4.2638 4.2638 4.2891 4.2891 5.4207 5.4207 5.4542 5.4542 5.8322 5.8322 6.0131 6.0131 6.2272 6.2272 6.4426 6.4426 6.6439 6.6439 10.7446 10.7446 11.2153 11.2153 11.8188 11.8188 12.4383 12.4383 12.7015 12.7015 k =-0.4138 0.1480 0.0000 ( 3598 PWs) bands (ev): -31.4090 -31.4090 -31.4030 -31.4030 -12.6866 -12.6866 -12.6624 -12.6624 -12.3250 -12.3250 -12.2979 -12.2979 -12.2953 -12.2953 -12.2625 -12.2625 3.4188 3.4188 4.1400 4.1400 4.2128 4.2128 4.2631 4.2631 4.2876 4.2876 5.4033 5.4033 5.4533 5.4533 5.8332 5.8332 6.0198 6.0198 6.2060 6.2060 6.4359 6.4359 6.6300 6.6300 10.7711 10.7711 11.2234 11.2234 11.8198 11.8198 12.3951 12.3951 12.7152 12.7152 k =-0.4310 0.1542 0.0000 ( 3600 PWs) bands (ev): -31.4087 -31.4087 -31.4033 -31.4033 -12.6853 -12.6853 -12.6638 -12.6638 -12.3226 -12.3226 -12.3005 -12.3005 -12.2953 -12.2953 -12.2627 -12.2627 3.4381 3.4381 4.1411 4.1411 4.2170 4.2170 4.2628 4.2628 4.2863 4.2863 5.3875 5.3875 5.4529 5.4529 5.8342 5.8342 6.0269 6.0269 6.1864 6.1864 6.4301 6.4301 6.6196 6.6196 10.7922 10.7922 11.2326 11.2326 11.8207 11.8207 12.3569 12.3569 12.7270 12.7270 k =-0.4483 0.1603 0.0000 ( 3598 PWs) bands (ev): -31.4085 -31.4085 -31.4036 -31.4036 -12.6841 -12.6841 -12.6650 -12.6650 -12.3202 -12.3202 -12.3030 -12.3030 -12.2952 -12.2952 -12.2628 -12.2628 3.4535 3.4535 4.1420 4.1420 4.2205 4.2205 4.2627 4.2627 4.2852 4.2852 5.3743 5.3743 5.4527 5.4527 5.8349 5.8349 6.0340 6.0340 6.1691 6.1691 6.4254 6.4254 6.6122 6.6122 10.8080 10.8080 11.2416 11.2416 11.8216 11.8216 12.3252 12.3252 12.7364 12.7364 k =-0.4655 0.1665 0.0000 ( 3612 PWs) bands (ev): -31.4083 -31.4083 -31.4038 -31.4038 -12.6832 -12.6832 -12.6661 -12.6661 -12.3179 -12.3179 -12.3055 -12.3055 -12.2952 -12.2952 -12.2629 -12.2629 3.4649 3.4649 4.1426 4.1426 4.2230 4.2230 4.2629 4.2629 4.2844 4.2844 5.3643 5.3643 5.4525 5.4525 5.8355 5.8355 6.0404 6.0404 6.1552 6.1552 6.4218 6.4218 6.6072 6.6072 10.8190 10.8190 11.2493 11.2493 11.8221 11.8221 12.3015 12.3015 12.7433 12.7433 k =-0.4828 0.1727 0.0000 ( 3606 PWs) bands (ev): -31.4082 -31.4082 -31.4039 -31.4039 -12.6825 -12.6825 -12.6667 -12.6667 -12.3158 -12.3158 -12.3076 -12.3076 -12.2951 -12.2951 -12.2630 -12.2630 3.4718 3.4718 4.1430 4.1430 4.2245 4.2245 4.2630 4.2630 4.2838 4.2838 5.3580 5.3580 5.4524 5.4524 5.8358 5.8358 6.0452 6.0452 6.1459 6.1459 6.4197 6.4197 6.6043 6.6043 10.8254 10.8254 11.2545 11.2545 11.8225 11.8225 12.2868 12.2868 12.7476 12.7476 k =-0.5000 0.1788 0.0000 ( 3610 PWs) bands (ev): -31.4081 -31.4081 -31.4039 -31.4039 -12.6823 -12.6823 -12.6670 -12.6670 -12.3149 -12.3149 -12.3086 -12.3086 -12.2951 -12.2951 -12.2630 -12.2630 3.4741 3.4741 4.1431 4.1431 4.2250 4.2250 4.2631 4.2631 4.2836 4.2836 5.3559 5.3559 5.4524 5.4524 5.8359 5.8359 6.0470 6.0470 6.1426 6.1426 6.4190 6.4190 6.6034 6.6034 10.8274 10.8274 11.2564 11.2564 11.8226 11.8226 12.2818 12.2818 12.7490 12.7490 k =-0.5000 0.1788 0.0000 ( 3610 PWs) bands (ev): -31.4081 -31.4081 -31.4039 -31.4039 -12.6823 -12.6823 -12.6670 -12.6670 -12.3149 -12.3149 -12.3086 -12.3086 -12.2951 -12.2951 -12.2630 -12.2630 3.4741 3.4741 4.1431 4.1431 4.2250 4.2250 4.2631 4.2631 4.2836 4.2836 5.3559 5.3559 5.4524 5.4524 5.8359 5.8359 6.0470 6.0470 6.1426 6.1426 6.4190 6.4190 6.6034 6.6034 10.8274 10.8274 11.2564 11.2564 11.8226 11.8226 12.2818 12.2818 12.7490 12.7490 k =-0.4938 0.1962-0.0000 ( 3608 PWs) bands (ev): -31.4081 -31.4081 -31.4039 -31.4039 -12.6823 -12.6823 -12.6670 -12.6670 -12.3149 -12.3149 -12.3087 -12.3087 -12.2951 -12.2951 -12.2631 -12.2631 3.4751 3.4751 4.1432 4.1432 4.2249 4.2249 4.2638 4.2638 4.2841 4.2841 5.3566 5.3566 5.4523 5.4523 5.8358 5.8358 6.0469 6.0469 6.1437 6.1437 6.4189 6.4189 6.6036 6.6036 10.8275 10.8275 11.2563 11.2563 11.8197 11.8197 12.2823 12.2823 12.7490 12.7490 k =-0.4875 0.2137-0.0000 ( 3600 PWs) bands (ev): -31.4081 -31.4081 -31.4039 -31.4039 -12.6824 -12.6824 -12.6671 -12.6671 -12.3148 -12.3148 -12.3089 -12.3089 -12.2951 -12.2951 -12.2634 -12.2634 3.4781 3.4781 4.1435 4.1435 4.2245 4.2245 4.2661 4.2661 4.2854 4.2854 5.3585 5.3585 5.4520 5.4520 5.8357 5.8357 6.0467 6.0467 6.1472 6.1472 6.4188 6.4188 6.6045 6.6045 10.8276 10.8276 11.2563 11.2563 11.8107 11.8107 12.2837 12.2837 12.7491 12.7491 k =-0.4813 0.2311-0.0000 ( 3592 PWs) bands (ev): -31.4080 -31.4080 -31.4039 -31.4039 -12.6824 -12.6824 -12.6673 -12.6673 -12.3147 -12.3147 -12.3092 -12.3092 -12.2950 -12.2950 -12.2637 -12.2637 3.4829 3.4829 4.1439 4.1439 4.2238 4.2238 4.2697 4.2697 4.2875 4.2875 5.3618 5.3618 5.4514 5.4514 5.8356 5.8356 6.0465 6.0465 6.1529 6.1529 6.4186 6.4186 6.6061 6.6061 10.8276 10.8276 11.2563 11.2563 11.7954 11.7954 12.2860 12.2860 12.7493 12.7493 k =-0.4751 0.2485-0.0000 ( 3590 PWs) bands (ev): -31.4079 -31.4079 -31.4039 -31.4039 -12.6825 -12.6825 -12.6676 -12.6676 -12.3145 -12.3145 -12.3097 -12.3097 -12.2951 -12.2951 -12.2643 -12.2643 3.4897 3.4897 4.1446 4.1446 4.2230 4.2230 4.2748 4.2748 4.2904 4.2904 5.3664 5.3664 5.4506 5.4506 5.8357 5.8357 6.0463 6.0463 6.1607 6.1607 6.4183 6.4183 6.6082 6.6082 10.8273 10.8273 11.2567 11.2567 11.7733 11.7733 12.2891 12.2891 12.7494 12.7494 k =-0.4689 0.2659-0.0000 ( 3586 PWs) bands (ev): -31.4079 -31.4079 -31.4038 -31.4038 -12.6827 -12.6827 -12.6679 -12.6679 -12.3143 -12.3143 -12.3104 -12.3104 -12.2951 -12.2951 -12.2651 -12.2651 3.4982 3.4982 4.1454 4.1454 4.2222 4.2222 4.2811 4.2811 4.2943 4.2943 5.3723 5.3723 5.4495 5.4495 5.8360 5.8360 6.0461 6.0461 6.1703 6.1703 6.4180 6.4180 6.6110 6.6110 10.8263 10.8263 11.2578 11.2578 11.7435 11.7435 12.2929 12.2929 12.7493 12.7493 k =-0.4626 0.2833-0.0000 ( 3588 PWs) bands (ev): -31.4077 -31.4077 -31.4038 -31.4038 -12.6829 -12.6829 -12.6683 -12.6683 -12.3141 -12.3141 -12.3112 -12.3112 -12.2952 -12.2952 -12.2660 -12.2660 3.5085 3.5085 4.1463 4.1463 4.2213 4.2213 4.2879 4.2879 4.2997 4.2997 5.3795 5.3795 5.4482 5.4482 5.8368 5.8368 6.0460 6.0460 6.1815 6.1815 6.4177 6.4177 6.6146 6.6146 10.8242 10.8242 11.2599 11.2599 11.7055 11.7055 12.2972 12.2972 12.7490 12.7490 k =-0.4564 0.3007-0.0000 ( 3576 PWs) bands (ev): -31.4076 -31.4076 -31.4038 -31.4038 -12.6831 -12.6831 -12.6688 -12.6688 -12.3138 -12.3138 -12.3120 -12.3120 -12.2953 -12.2953 -12.2669 -12.2669 3.5203 3.5203 4.1474 4.1474 4.2205 4.2205 4.2941 4.2941 4.3077 4.3077 5.3879 5.3879 5.4467 5.4467 5.8383 5.8383 6.0461 6.0461 6.1941 6.1941 6.4174 6.4174 6.6189 6.6189 10.8207 10.8207 11.2633 11.2633 11.6583 11.6583 12.3017 12.3017 12.7481 12.7481 k =-0.4502 0.3182-0.0000 ( 3568 PWs) bands (ev): -31.4075 -31.4075 -31.4037 -31.4037 -12.6833 -12.6833 -12.6694 -12.6694 -12.3136 -12.3136 -12.3130 -12.3130 -12.2954 -12.2954 -12.2681 -12.2681 3.5337 3.5337 4.1485 4.1485 4.2198 4.2198 4.2993 4.2993 4.3186 4.3186 5.3974 5.3974 5.4450 5.4450 5.8407 5.8407 6.0464 6.0464 6.2079 6.2079 6.4171 6.4171 6.6241 6.6241 10.8154 10.8154 11.2683 11.2683 11.6013 11.6013 12.3062 12.3062 12.7459 12.7459 k =-0.4439 0.3356-0.0000 ( 3572 PWs) bands (ev): -31.4073 -31.4073 -31.4037 -31.4037 -12.6836 -12.6836 -12.6700 -12.6700 -12.3141 -12.3141 -12.3133 -12.3133 -12.2955 -12.2955 -12.2693 -12.2693 3.5484 3.5484 4.1497 4.1497 4.2192 4.2192 4.3038 4.3038 4.3320 4.3320 5.4079 5.4079 5.4432 5.4432 5.8442 5.8442 6.0469 6.0469 6.2226 6.2226 6.4171 6.4171 6.6303 6.6303 10.8079 10.8079 11.2745 11.2745 11.5343 11.5343 12.3103 12.3103 12.7403 12.7403 k =-0.4377 0.3530-0.0000 ( 3576 PWs) bands (ev): -31.4071 -31.4071 -31.4036 -31.4036 -12.6840 -12.6840 -12.6707 -12.6707 -12.3153 -12.3153 -12.3130 -12.3130 -12.2957 -12.2957 -12.2707 -12.2707 3.5642 3.5642 4.1509 4.1509 4.2188 4.2188 4.3079 4.3079 4.3477 4.3477 5.4188 5.4188 5.4418 5.4418 5.8490 5.8490 6.0476 6.0476 6.2380 6.2380 6.4173 6.4173 6.6376 6.6376 10.7981 10.7981 11.2806 11.2806 11.4583 11.4583 12.3137 12.3137 12.7256 12.7256 k =-0.4315 0.3704-0.0000 ( 3576 PWs) bands (ev): -31.4069 -31.4069 -31.4036 -31.4036 -12.6844 -12.6844 -12.6715 -12.6715 -12.3166 -12.3166 -12.3127 -12.3127 -12.2959 -12.2959 -12.2722 -12.2722 3.5811 3.5811 4.1521 4.1521 4.2186 4.2186 4.3118 4.3118 4.3655 4.3655 5.4276 5.4276 5.4432 5.4432 5.8554 5.8554 6.0484 6.0484 6.2537 6.2537 6.4178 6.4178 6.6462 6.6462 10.7858 10.7858 11.2790 11.2790 11.3812 11.3812 12.3159 12.3159 12.7011 12.7011 k =-0.4252 0.3878-0.0000 ( 3576 PWs) bands (ev): -31.4067 -31.4067 -31.4035 -31.4035 -12.6848 -12.6848 -12.6723 -12.6723 -12.3179 -12.3179 -12.3125 -12.3125 -12.2961 -12.2961 -12.2736 -12.2736 3.5987 3.5987 4.1533 4.1533 4.2185 4.2185 4.3153 4.3153 4.3854 4.3854 5.4295 5.4295 5.4522 5.4522 5.8636 5.8636 6.0495 6.0495 6.2694 6.2694 6.4190 6.4190 6.6564 6.6564 10.7710 10.7710 11.2315 11.2315 11.3415 11.3415 12.3162 12.3162 12.6756 12.6756 k =-0.4190 0.4052-0.0000 ( 3566 PWs) bands (ev): -31.4065 -31.4065 -31.4035 -31.4035 -12.6852 -12.6852 -12.6732 -12.6732 -12.3193 -12.3193 -12.3122 -12.3122 -12.2963 -12.2963 -12.2752 -12.2752 3.6170 3.6170 4.1544 4.1544 4.2187 4.2187 4.3186 4.3186 4.4073 4.4073 5.4273 5.4273 5.4658 5.4658 5.8737 5.8737 6.0509 6.0509 6.2845 6.2845 6.4209 6.4209 6.6682 6.6682 10.7533 10.7533 11.1335 11.1335 11.3446 11.3446 12.3139 12.3139 12.6536 12.6536 k =-0.4128 0.4227-0.0000 ( 3570 PWs) bands (ev): -31.4062 -31.4062 -31.4034 -31.4034 -12.6857 -12.6857 -12.6741 -12.6741 -12.3208 -12.3208 -12.3120 -12.3120 -12.2966 -12.2966 -12.2767 -12.2767 3.6356 3.6356 4.1555 4.1555 4.2190 4.2190 4.3216 4.3216 4.4313 4.4313 5.4239 5.4239 5.4810 5.4810 5.8858 5.8858 6.0525 6.0525 6.2986 6.2986 6.4239 6.4239 6.6822 6.6822 10.7322 10.7322 11.0194 11.0194 11.3575 11.3575 12.3084 12.3084 12.6364 12.6364 k =-0.4066 0.4401-0.0000 ( 3568 PWs) bands (ev): -31.4060 -31.4060 -31.4034 -31.4034 -12.6861 -12.6861 -12.6751 -12.6751 -12.3222 -12.3222 -12.3119 -12.3119 -12.2968 -12.2968 -12.2783 -12.2783 3.6545 3.6545 4.1564 4.1564 4.2195 4.2195 4.3242 4.3242 4.4574 4.4574 5.4199 5.4199 5.4973 5.4973 5.8999 5.8999 6.0545 6.0545 6.3112 6.3112 6.4283 6.4283 6.6985 6.6985 10.7049 10.7049 10.9002 10.9002 11.3731 11.3731 12.2987 12.2987 12.6245 12.6245 k =-0.4003 0.4575-0.0000 ( 3568 PWs) bands (ev): -31.4057 -31.4057 -31.4033 -31.4033 -12.6867 -12.6867 -12.6761 -12.6761 -12.3238 -12.3238 -12.3119 -12.3119 -12.2971 -12.2971 -12.2798 -12.2798 3.6733 3.6733 4.1574 4.1574 4.2202 4.2202 4.3264 4.3264 4.4855 4.4855 5.4155 5.4155 5.5143 5.5143 5.9161 5.9161 6.0568 6.0568 6.3217 6.3217 6.4342 6.4342 6.7175 6.7175 10.6593 10.6593 10.7905 10.7905 11.3893 11.3893 12.2838 12.2838 12.6179 12.6179 k =-0.3941 0.4749-0.0000 ( 3576 PWs) bands (ev): -31.4054 -31.4054 -31.4033 -31.4033 -12.6873 -12.6873 -12.6772 -12.6772 -12.3253 -12.3253 -12.3120 -12.3120 -12.2974 -12.2974 -12.2813 -12.2813 3.6920 3.6920 4.1582 4.1582 4.2210 4.2210 4.3283 4.3283 4.5155 4.5155 5.4108 5.4108 5.5321 5.5321 5.9341 5.9341 6.0598 6.0598 6.3300 6.3300 6.4417 6.4417 6.7396 6.7396 10.5669 10.5669 10.7209 10.7209 11.4051 11.4051 12.2629 12.2629 12.6167 12.6167 k =-0.3879 0.4923-0.0000 ( 3576 PWs) bands (ev): -31.4051 -31.4051 -31.4032 -31.4032 -12.6879 -12.6879 -12.6783 -12.6783 -12.3268 -12.3268 -12.3122 -12.3122 -12.2976 -12.2976 -12.2826 -12.2826 3.7102 3.7102 4.1590 4.1590 4.2219 4.2219 4.3297 4.3297 4.5474 4.5474 5.4058 5.4058 5.5507 5.5507 5.9535 5.9535 6.0635 6.0635 6.3361 6.3361 6.4505 6.4505 6.7651 6.7651 10.4370 10.4370 10.6837 10.6837 11.4196 11.4196 12.2347 12.2347 12.6208 12.6208 k =-0.3816 0.5097-0.0000 ( 3580 PWs) bands (ev): -31.4049 -31.4049 -31.4032 -31.4032 -12.6885 -12.6885 -12.6794 -12.6794 -12.3283 -12.3283 -12.3127 -12.3127 -12.2978 -12.2978 -12.2838 -12.2838 3.7280 3.7280 4.1596 4.1596 4.2228 4.2228 4.3308 4.3308 4.5809 4.5809 5.4006 5.4006 5.5701 5.5701 5.9738 5.9738 6.0686 6.0686 6.3403 6.3403 6.4603 6.4603 6.7943 6.7943 10.2939 10.2939 10.6557 10.6557 11.4322 11.4322 12.1986 12.1986 12.6300 12.6300 k =-0.3754 0.5272-0.0000 ( 3582 PWs) bands (ev): -31.4046 -31.4046 -31.4032 -31.4032 -12.6891 -12.6891 -12.6805 -12.6805 -12.3298 -12.3298 -12.3133 -12.3133 -12.2980 -12.2980 -12.2849 -12.2849 3.7451 3.7451 4.1603 4.1603 4.2238 4.2238 4.3316 4.3316 4.6158 4.6158 5.3953 5.3953 5.5904 5.5904 5.9938 5.9938 6.0757 6.0757 6.3429 6.3429 6.4707 6.4707 6.8273 6.8273 10.1452 10.1452 10.6305 10.6305 11.4423 11.4423 12.1536 12.1536 12.6438 12.6438 k =-0.3692 0.5446-0.0000 ( 3582 PWs) bands (ev): -31.4043 -31.4043 -31.4031 -31.4031 -12.6898 -12.6898 -12.6816 -12.6816 -12.3313 -12.3313 -12.3141 -12.3141 -12.2982 -12.2982 -12.2858 -12.2858 3.7614 3.7614 4.1608 4.1608 4.2249 4.2249 4.3320 4.3320 4.6518 4.6518 5.3899 5.3899 5.6118 5.6118 6.0121 6.0121 6.0862 6.0862 6.3443 6.3443 6.4812 6.4812 6.8644 6.8644 9.9936 9.9936 10.6066 10.6066 11.4493 11.4493 12.0994 12.0994 12.6596 12.6596 k =-0.3630 0.5620-0.0000 ( 3574 PWs) bands (ev): -31.4039 -31.4039 -31.4031 -31.4031 -12.6905 -12.6905 -12.6826 -12.6826 -12.3327 -12.3327 -12.3150 -12.3150 -12.2984 -12.2984 -12.2864 -12.2864 3.7769 3.7769 4.1613 4.1613 4.2259 4.2259 4.3321 4.3321 4.6887 4.6887 5.3845 5.3845 5.6344 5.6344 6.0269 6.0269 6.1015 6.1015 6.3450 6.3450 6.4918 6.4918 6.9056 6.9056 9.8405 9.8405 10.5834 10.5834 11.4529 11.4529 12.0360 12.0360 12.6654 12.6654 k =-0.3567 0.5794-0.0000 ( 3578 PWs) bands (ev): -31.4036 -31.4036 -31.4031 -31.4031 -12.6913 -12.6913 -12.6837 -12.6837 -12.3340 -12.3340 -12.3162 -12.3162 -12.2986 -12.2986 -12.2868 -12.2868 3.7914 3.7914 4.1617 4.1617 4.2269 4.2269 4.3320 4.3320 4.7259 4.7259 5.3792 5.3792 5.6584 5.6584 6.0380 6.0380 6.1215 6.1215 6.3450 6.3450 6.5022 6.5022 6.9509 6.9509 9.6867 9.6867 10.5607 10.5607 11.4525 11.4525 11.9641 11.9641 12.6577 12.6577 k =-0.3505 0.5968-0.0000 ( 3574 PWs) bands (ev): -31.4033 -31.4033 -31.4031 -31.4031 -12.6921 -12.6921 -12.6846 -12.6846 -12.3353 -12.3353 -12.3175 -12.3175 -12.2989 -12.2989 -12.2870 -12.2870 3.8049 3.8049 4.1621 4.1621 4.2279 4.2279 4.3316 4.3316 4.7631 4.7631 5.3739 5.3739 5.6839 5.6839 6.0462 6.0462 6.1450 6.1450 6.3447 6.3447 6.5125 6.5125 7.0004 7.0004 9.5330 9.5330 10.5386 10.5386 11.4476 11.4476 11.8850 11.8850 12.6466 12.6466 k =-0.3443 0.6142-0.0000 ( 3568 PWs) bands (ev): -31.4031 -31.4031 -31.4030 -31.4030 -12.6929 -12.6929 -12.6855 -12.6855 -12.3365 -12.3365 -12.3189 -12.3189 -12.2993 -12.2993 -12.2870 -12.2870 3.8174 3.8174 4.1624 4.1624 4.2287 4.2287 4.3310 4.3310 4.7998 4.7998 5.3688 5.3688 5.7109 5.7109 6.0529 6.0529 6.1706 6.1706 6.3441 6.3441 6.5228 6.5228 7.0539 7.0539 9.3802 9.3802 10.5170 10.5170 11.4374 11.4374 11.8004 11.8004 12.6346 12.6346 k =-0.3380 0.6317-0.0000 ( 3570 PWs) bands (ev): -31.4031 -31.4031 -31.4027 -31.4027 -12.6938 -12.6938 -12.6863 -12.6863 -12.3377 -12.3377 -12.3204 -12.3204 -12.2997 -12.2997 -12.2868 -12.2868 3.8287 3.8287 4.1627 4.1627 4.2295 4.2295 4.3302 4.3302 4.8355 4.8355 5.3638 5.3638 5.7394 5.7394 6.0590 6.0590 6.1971 6.1971 6.3434 6.3434 6.5333 6.5333 7.1114 7.1114 9.2289 9.2289 10.4959 10.4959 11.4202 11.4202 11.7138 11.7138 12.6222 12.6222 k =-0.3318 0.6491-0.0000 ( 3570 PWs) bands (ev): -31.4031 -31.4031 -31.4024 -31.4024 -12.6947 -12.6947 -12.6871 -12.6871 -12.3388 -12.3388 -12.3219 -12.3219 -12.3002 -12.3002 -12.2864 -12.2864 3.8390 3.8390 4.1630 4.1630 4.2302 4.2302 4.3294 4.3294 4.8698 4.8698 5.3591 5.3591 5.7691 5.7691 6.0654 6.0654 6.2238 6.2238 6.3428 6.3428 6.5440 6.5440 7.1728 7.1728 9.0796 9.0796 10.4751 10.4751 11.3922 11.3922 11.6305 11.6305 12.6099 12.6099 k =-0.3256 0.6665-0.0000 ( 3564 PWs) bands (ev): -31.4031 -31.4031 -31.4020 -31.4020 -12.6957 -12.6957 -12.6877 -12.6877 -12.3398 -12.3398 -12.3234 -12.3234 -12.3007 -12.3007 -12.2859 -12.2859 3.8481 3.8481 4.1632 4.1632 4.2307 4.2307 4.3285 4.3285 4.9022 4.9022 5.3548 5.3548 5.7994 5.7994 6.0726 6.0726 6.2500 6.2500 6.3422 6.3422 6.5552 6.5552 7.2377 7.2377 8.9329 8.9329 10.4546 10.4546 11.3472 11.3472 11.5586 11.5586 12.5979 12.5979 k =-0.3194 0.6839-0.0000 ( 3564 PWs) bands (ev): -31.4032 -31.4032 -31.4017 -31.4017 -12.6967 -12.6967 -12.6882 -12.6882 -12.3407 -12.3407 -12.3249 -12.3249 -12.3013 -12.3013 -12.2852 -12.2852 3.8561 3.8561 4.1635 4.1635 4.2311 4.2311 4.3275 4.3275 4.9324 4.9324 5.3507 5.3507 5.8295 5.8295 6.0815 6.0815 6.2754 6.2754 6.3417 6.3417 6.5671 6.5671 7.3060 7.3060 8.7896 8.7896 10.4340 10.4340 11.2804 11.2804 11.5046 11.5046 12.5864 12.5864 k =-0.3131 0.7013-0.0000 ( 3574 PWs) bands (ev): -31.4032 -31.4032 -31.4014 -31.4014 -12.6977 -12.6977 -12.6886 -12.6886 -12.3415 -12.3415 -12.3265 -12.3265 -12.3019 -12.3019 -12.2845 -12.2845 3.8629 3.8629 4.1637 4.1637 4.2312 4.2312 4.3266 4.3266 4.9600 4.9600 5.3471 5.3471 5.8581 5.8581 6.0928 6.0928 6.2996 6.2996 6.3416 6.3416 6.5800 6.5800 7.3775 7.3775 8.6503 8.6503 10.4131 10.4131 11.1962 11.1962 11.4663 11.4663 12.5757 12.5757 k =-0.3069 0.7187-0.0000 ( 3578 PWs) bands (ev): -31.4033 -31.4033 -31.4011 -31.4011 -12.6988 -12.6988 -12.6889 -12.6889 -12.3423 -12.3423 -12.3279 -12.3279 -12.3025 -12.3025 -12.2837 -12.2837 3.8685 3.8685 4.1638 4.1638 4.2311 4.2311 4.3259 4.3259 4.9850 4.9850 5.3438 5.3438 5.8839 5.8839 6.1074 6.1074 6.3220 6.3220 6.3423 6.3423 6.5940 6.5940 7.4517 7.4517 8.5158 8.5158 10.3911 10.3911 11.1035 11.1035 11.4367 11.4367 12.5658 12.5658 k =-0.3007 0.7362-0.0000 ( 3582 PWs) bands (ev): -31.4034 -31.4034 -31.4009 -31.4009 -12.6999 -12.6999 -12.6891 -12.6891 -12.3430 -12.3430 -12.3293 -12.3293 -12.3032 -12.3032 -12.2829 -12.2829 3.8729 3.8729 4.1640 4.1640 4.2308 4.2308 4.3252 4.3252 5.0070 5.0070 5.3411 5.3411 5.9054 5.9054 6.1257 6.1257 6.3372 6.3372 6.3489 6.3489 6.6093 6.6093 7.5282 7.5282 8.3873 8.3873 10.3673 10.3673 11.0092 11.0092 11.4112 11.4112 12.5570 12.5570 k =-0.2944 0.7536-0.0000 ( 3582 PWs) bands (ev): -31.4035 -31.4035 -31.4006 -31.4006 -12.7009 -12.7009 -12.6892 -12.6892 -12.3436 -12.3436 -12.3306 -12.3306 -12.3038 -12.3038 -12.2820 -12.2820 3.8761 3.8761 4.1642 4.1642 4.2302 4.2302 4.3248 4.3248 5.0261 5.0261 5.3388 5.3388 5.9221 5.9221 6.1476 6.1476 6.3399 6.3399 6.3667 6.3667 6.6258 6.6258 7.6065 7.6065 8.2661 8.2661 10.3405 10.3405 10.9180 10.9180 11.3877 11.3877 12.5493 12.5493 k =-0.2882 0.7710-0.0000 ( 3582 PWs) bands (ev): -31.4036 -31.4036 -31.4003 -31.4003 -12.7019 -12.7019 -12.6892 -12.6892 -12.3441 -12.3441 -12.3318 -12.3318 -12.3044 -12.3044 -12.2811 -12.2811 3.8781 3.8781 4.1643 4.1643 4.2292 4.2292 4.3246 4.3246 5.0422 5.0422 5.3370 5.3370 5.9338 5.9338 6.1721 6.1721 6.3409 6.3409 6.3845 6.3845 6.6433 6.6433 7.6858 7.6858 8.1537 8.1537 10.3091 10.3091 10.8337 10.8337 11.3652 11.3652 12.5430 12.5430 k =-0.2820 0.7884-0.0000 ( 3586 PWs) bands (ev): -31.4037 -31.4037 -31.4000 -31.4000 -12.7029 -12.7029 -12.6890 -12.6890 -12.3446 -12.3446 -12.3329 -12.3329 -12.3050 -12.3050 -12.2801 -12.2801 3.8788 3.8788 4.1645 4.1645 4.2279 4.2279 4.3246 4.3246 5.0554 5.0554 5.3357 5.3357 5.9411 5.9411 6.1976 6.1976 6.3418 6.3418 6.4007 6.4007 6.6610 6.6610 7.7648 7.7648 8.0530 8.0530 10.2717 10.2717 10.7594 10.7594 11.3434 11.3434 12.5382 12.5382 k =-0.2820 0.7884-0.0000 ( 3586 PWs) bands (ev): -31.4037 -31.4037 -31.4000 -31.4000 -12.7029 -12.7029 -12.6890 -12.6890 -12.3446 -12.3446 -12.3329 -12.3329 -12.3050 -12.3050 -12.2801 -12.2801 3.8788 3.8788 4.1645 4.1645 4.2279 4.2279 4.3246 4.3246 5.0554 5.0554 5.3357 5.3357 5.9411 5.9411 6.1976 6.1976 6.3418 6.3418 6.4007 6.4007 6.6610 6.6610 7.7648 7.7648 8.0530 8.0530 10.2717 10.2717 10.7594 10.7594 11.3434 11.3434 12.5382 12.5382 k =-0.2820 0.7884 0.0184 ( 3582 PWs) bands (ev): -31.4037 -31.4037 -31.4000 -31.4000 -12.7029 -12.7029 -12.6890 -12.6890 -12.3446 -12.3446 -12.3328 -12.3328 -12.3050 -12.3050 -12.2801 -12.2801 3.8792 3.8792 4.1644 4.1644 4.2284 4.2284 4.3244 4.3244 5.0548 5.0548 5.3370 5.3370 5.9407 5.9407 6.1959 6.1959 6.3428 6.3428 6.4018 6.4018 6.6605 6.6605 7.7647 7.7647 8.0553 8.0553 10.2677 10.2677 10.7603 10.7603 11.3423 11.3423 12.5339 12.5339 k =-0.2820 0.7884 0.0367 ( 3580 PWs) bands (ev): -31.4037 -31.4037 -31.4000 -31.4000 -12.7028 -12.7028 -12.6890 -12.6890 -12.3447 -12.3447 -12.3327 -12.3327 -12.3050 -12.3050 -12.2801 -12.2801 3.8804 3.8804 4.1640 4.1640 4.2297 4.2297 4.3239 4.3239 5.0530 5.0530 5.3408 5.3408 5.9394 5.9394 6.1913 6.1913 6.3454 6.3454 6.4052 6.4052 6.6592 6.6592 7.7644 7.7644 8.0624 8.0624 10.2560 10.2560 10.7629 10.7629 11.3389 11.3389 12.5212 12.5212 k =-0.2820 0.7884 0.0551 ( 3578 PWs) bands (ev): -31.4037 -31.4037 -31.4000 -31.4000 -12.7028 -12.7028 -12.6891 -12.6891 -12.3450 -12.3450 -12.3325 -12.3325 -12.3049 -12.3049 -12.2802 -12.2802 3.8822 3.8822 4.1634 4.1634 4.2319 4.2319 4.3231 4.3231 5.0502 5.0502 5.3470 5.3470 5.9374 5.9374 6.1844 6.1844 6.3488 6.3488 6.4111 6.4111 6.6570 6.6570 7.7639 7.7639 8.0742 8.0742 10.2372 10.2372 10.7666 10.7666 11.3334 11.3334 12.5010 12.5010 k =-0.2820 0.7884 0.0734 ( 3582 PWs) bands (ev): -31.4037 -31.4037 -31.4000 -31.4000 -12.7028 -12.7028 -12.6892 -12.6892 -12.3453 -12.3453 -12.3323 -12.3323 -12.3049 -12.3049 -12.2802 -12.2802 3.8849 3.8849 4.1627 4.1627 4.2348 4.2348 4.3221 4.3221 5.0467 5.0467 5.3553 5.3553 5.9346 5.9346 6.1757 6.1757 6.3522 6.3522 6.4198 6.4198 6.6540 6.6540 7.7632 7.7632 8.0905 8.0905 10.2120 10.2120 10.7709 10.7709 11.3256 11.3256 12.4741 12.4741 k =-0.2820 0.7884 0.0918 ( 3582 PWs) bands (ev): -31.4037 -31.4037 -31.4001 -31.4001 -12.7027 -12.7027 -12.6892 -12.6892 -12.3457 -12.3457 -12.3321 -12.3321 -12.3048 -12.3048 -12.2803 -12.2803 3.8882 3.8882 4.1618 4.1618 4.2382 4.2382 4.3210 4.3210 5.0427 5.0427 5.3654 5.3654 5.9311 5.9311 6.1659 6.1659 6.3549 6.3549 6.4309 6.4309 6.6503 6.6503 7.7622 7.7622 8.1113 8.1113 10.1816 10.1816 10.7749 10.7749 11.3156 11.3156 12.4418 12.4418 k =-0.2820 0.7884 0.1102 ( 3582 PWs) bands (ev): -31.4036 -31.4036 -31.4001 -31.4001 -12.7026 -12.7026 -12.6893 -12.6893 -12.3461 -12.3461 -12.3318 -12.3318 -12.3047 -12.3047 -12.2804 -12.2804 3.8922 3.8922 4.1607 4.1607 4.2420 4.2420 4.3200 4.3200 5.0384 5.0384 5.3771 5.3771 5.9269 5.9269 6.1556 6.1556 6.3569 6.3569 6.4442 6.4442 6.6460 6.6460 7.7610 7.7610 8.1363 8.1363 10.1468 10.1468 10.7780 10.7780 11.3035 11.3035 12.4051 12.4051 k =-0.2820 0.7884 0.1285 ( 3575 PWs) bands (ev): -31.4036 -31.4036 -31.4001 -31.4001 -12.7025 -12.7025 -12.6894 -12.6894 -12.3465 -12.3465 -12.3315 -12.3315 -12.3046 -12.3046 -12.2804 -12.2804 3.8968 3.8968 4.1596 4.1596 4.2460 4.2460 4.3192 4.3192 5.0342 5.0342 5.3899 5.3899 5.9221 5.9221 6.1450 6.1450 6.3582 6.3582 6.4592 6.4592 6.6413 6.6413 7.7594 7.7594 8.1655 8.1655 10.1086 10.1086 10.7797 10.7797 11.2891 11.2891 12.3652 12.3652 k =-0.2820 0.7884 0.1469 ( 3581 PWs) bands (ev): -31.4036 -31.4036 -31.4001 -31.4001 -12.7024 -12.7024 -12.6896 -12.6896 -12.3470 -12.3470 -12.3313 -12.3313 -12.3046 -12.3046 -12.2805 -12.2805 3.9020 3.9020 4.1583 4.1583 4.2498 4.2498 4.3190 4.3190 5.0302 5.0302 5.4038 5.4038 5.9166 5.9166 6.1344 6.1344 6.3590 6.3590 6.4753 6.4753 6.6362 6.6362 7.7575 7.7575 8.1985 8.1985 10.0677 10.0677 10.7795 10.7795 11.2726 11.2726 12.3230 12.3230 k =-0.2820 0.7884 0.1652 ( 3577 PWs) bands (ev): -31.4035 -31.4035 -31.4001 -31.4001 -12.7023 -12.7023 -12.6897 -12.6897 -12.3475 -12.3475 -12.3310 -12.3310 -12.3044 -12.3044 -12.2806 -12.2806 3.9078 3.9078 4.1568 4.1568 4.2532 4.2532 4.3195 4.3195 5.0268 5.0268 5.4183 5.4183 5.9106 5.9106 6.1241 6.1241 6.3593 6.3593 6.4921 6.4921 6.6312 6.6312 7.7551 7.7551 8.2352 8.2352 10.0251 10.0251 10.7771 10.7771 11.2538 11.2538 12.2794 12.2794 k =-0.2820 0.7884 0.1836 ( 3579 PWs) bands (ev): -31.4035 -31.4035 -31.4001 -31.4001 -12.7022 -12.7022 -12.6899 -12.6899 -12.3480 -12.3480 -12.3307 -12.3307 -12.3043 -12.3043 -12.2807 -12.2807 3.9142 3.9142 4.1553 4.1553 4.2560 4.2560 4.3209 4.3209 5.0240 5.0240 5.4333 5.4333 5.9041 5.9041 6.1142 6.1142 6.3593 6.3593 6.5091 6.5091 6.6264 6.6264 7.7521 7.7521 8.2754 8.2754 9.9814 9.9814 10.7724 10.7724 11.2327 11.2327 12.2353 12.2353 k =-0.2820 0.7884 0.2020 ( 3584 PWs) bands (ev): -31.4034 -31.4034 -31.4002 -31.4002 -12.7021 -12.7021 -12.6901 -12.6901 -12.3485 -12.3485 -12.3305 -12.3305 -12.3043 -12.3043 -12.2808 -12.2808 3.9209 3.9209 4.1536 4.1536 4.2579 4.2579 4.3235 4.3235 5.0222 5.0222 5.4485 5.4485 5.8971 5.8971 6.1047 6.1047 6.3591 6.3591 6.5257 6.5257 6.6223 6.6223 7.7484 7.7484 8.3188 8.3188 9.9373 9.9373 10.7651 10.7651 11.2093 11.2093 12.1913 12.1913 k =-0.2820 0.7884 0.2203 ( 3582 PWs) bands (ev): -31.4034 -31.4034 -31.4002 -31.4002 -12.7020 -12.7020 -12.6902 -12.6902 -12.3491 -12.3491 -12.3302 -12.3302 -12.3041 -12.3041 -12.2809 -12.2809 3.9281 3.9281 4.1517 4.1517 4.2591 4.2591 4.3270 4.3270 5.0215 5.0215 5.4639 5.4639 5.8896 5.8896 6.0958 6.0958 6.3586 6.3586 6.5408 6.5408 6.6201 6.6201 7.7438 7.7438 8.3654 8.3654 9.8935 9.8935 10.7551 10.7551 11.1835 11.1835 12.1481 12.1481 k =-0.2820 0.7884 0.2387 ( 3582 PWs) bands (ev): -31.4033 -31.4033 -31.4002 -31.4002 -12.7018 -12.7018 -12.6904 -12.6904 -12.3495 -12.3495 -12.3300 -12.3300 -12.3040 -12.3040 -12.2810 -12.2810 3.9357 3.9357 4.1496 4.1496 4.2596 4.2596 4.3314 4.3314 5.0221 5.0221 5.4791 5.4791 5.8817 5.8817 6.0874 6.0874 6.3580 6.3580 6.5529 6.5529 6.6211 6.6211 7.7382 7.7382 8.4147 8.4147 9.8507 9.8507 10.7425 10.7425 11.1552 11.1552 12.1064 12.1064 k =-0.2820 0.7884 0.2570 ( 3585 PWs) bands (ev): -31.4033 -31.4033 -31.4003 -31.4003 -12.7017 -12.7017 -12.6907 -12.6907 -12.3500 -12.3500 -12.3298 -12.3298 -12.3040 -12.3040 -12.2811 -12.2811 3.9435 3.9435 4.1474 4.1474 4.2596 4.2596 4.3363 4.3363 5.0242 5.0242 5.4942 5.4942 5.8735 5.8735 6.0795 6.0795 6.3574 6.3574 6.5599 6.5599 6.6275 6.6275 7.7314 7.7314 8.4667 8.4667 9.8094 9.8094 10.7271 10.7271 11.1243 11.1243 12.0666 12.0666 k =-0.2820 0.7884 0.2754 ( 3583 PWs) bands (ev): -31.4032 -31.4032 -31.4003 -31.4003 -12.7015 -12.7015 -12.6909 -12.6909 -12.3505 -12.3505 -12.3297 -12.3297 -12.3039 -12.3039 -12.2812 -12.2812 3.9516 3.9516 4.1449 4.1449 4.2593 4.2593 4.3415 4.3415 5.0278 5.0278 5.5088 5.5088 5.8649 5.8649 6.0721 6.0721 6.3568 6.3568 6.5618 6.5618 6.6393 6.6393 7.7232 7.7232 8.5211 8.5211 9.7704 9.7704 10.7090 10.7090 11.0909 11.0909 12.0294 12.0294 k =-0.2820 0.7884 0.2938 ( 3587 PWs) bands (ev): -31.4031 -31.4031 -31.4003 -31.4003 -12.7013 -12.7013 -12.6911 -12.6911 -12.3509 -12.3509 -12.3295 -12.3295 -12.3038 -12.3038 -12.2812 -12.2812 3.9599 3.9599 4.1423 4.1423 4.2589 4.2589 4.3465 4.3465 5.0332 5.0332 5.5228 5.5228 5.8561 5.8561 6.0651 6.0651 6.3562 6.3562 6.5600 6.5600 6.6551 6.6551 7.7134 7.7134 8.5777 8.5777 9.7341 9.7341 10.6882 10.6882 11.0550 11.0550 11.9949 11.9949 k =-0.2820 0.7884 0.3121 ( 3585 PWs) bands (ev): -31.4031 -31.4031 -31.4004 -31.4004 -12.7011 -12.7011 -12.6914 -12.6914 -12.3513 -12.3513 -12.3294 -12.3294 -12.3038 -12.3038 -12.2813 -12.2813 3.9682 3.9682 4.1396 4.1396 4.2585 4.2585 4.3513 4.3513 5.0405 5.0405 5.5362 5.5362 5.8471 5.8471 6.0584 6.0584 6.3558 6.3558 6.5562 6.5562 6.6732 6.6732 7.7017 7.7017 8.6362 8.6362 9.7012 9.7012 10.6648 10.6648 11.0165 11.0165 11.9637 11.9637 k =-0.2820 0.7884 0.3305 ( 3577 PWs) bands (ev): -31.4030 -31.4030 -31.4004 -31.4004 -12.7009 -12.7009 -12.6916 -12.6916 -12.3517 -12.3517 -12.3293 -12.3293 -12.3037 -12.3037 -12.2813 -12.2813 3.9767 3.9767 4.1367 4.1367 4.2582 4.2582 4.3556 4.3556 5.0496 5.0496 5.5486 5.5486 5.8382 5.8382 6.0518 6.0518 6.3556 6.3556 6.5515 6.5515 6.6927 6.6927 7.6879 7.6879 8.6966 8.6966 9.6722 9.6722 10.6386 10.6386 10.9756 10.9756 11.9359 11.9359 k =-0.2820 0.7884 0.3488 ( 3583 PWs) bands (ev): -31.4029 -31.4029 -31.4005 -31.4005 -12.7008 -12.7008 -12.6919 -12.6919 -12.3520 -12.3520 -12.3293 -12.3293 -12.3037 -12.3037 -12.2813 -12.2813 3.9851 3.9851 4.1338 4.1338 4.2581 4.2581 4.3593 4.3593 5.0608 5.0608 5.5599 5.5599 5.8294 5.8294 6.0452 6.0452 6.3558 6.3558 6.5464 6.5464 6.7131 6.7131 7.6720 7.6720 8.7584 8.7584 9.6475 9.6475 10.6098 10.6098 10.9324 10.9324 11.9116 11.9116 k =-0.2820 0.7884 0.3672 ( 3581 PWs) bands (ev): -31.4028 -31.4028 -31.4005 -31.4005 -12.7006 -12.7006 -12.6922 -12.6922 -12.3524 -12.3524 -12.3292 -12.3292 -12.3037 -12.3037 -12.2813 -12.2813 3.9934 3.9934 4.1308 4.1308 4.2582 4.2582 4.3622 4.3622 5.0739 5.0739 5.5699 5.5699 5.8211 5.8211 6.0385 6.0385 6.3564 6.3564 6.5410 6.5410 6.7342 6.7342 7.6536 7.6536 8.8215 8.8215 9.6276 9.6276 10.5783 10.5783 10.8872 10.8872 11.8911 11.8911 k =-0.2820 0.7884 0.3856 ( 3584 PWs) bands (ev): -31.4027 -31.4027 -31.4006 -31.4006 -12.7004 -12.7004 -12.6925 -12.6925 -12.3527 -12.3527 -12.3292 -12.3292 -12.3037 -12.3037 -12.2813 -12.2813 4.0017 4.0017 4.1278 4.1278 4.2585 4.2585 4.3642 4.3642 5.0891 5.0891 5.5781 5.5781 5.8134 5.8134 6.0315 6.0315 6.3576 6.3576 6.5355 6.5355 6.7560 6.7560 7.6328 7.6328 8.8857 8.8857 9.6128 9.6128 10.5443 10.5443 10.8402 10.8402 11.8741 11.8741 k =-0.2820 0.7884 0.4039 ( 3585 PWs) bands (ev): -31.4027 -31.4027 -31.4006 -31.4006 -12.7002 -12.7002 -12.6927 -12.6927 -12.3529 -12.3529 -12.3292 -12.3292 -12.3037 -12.3037 -12.2813 -12.2813 4.0098 4.0098 4.1249 4.1249 4.2591 4.2591 4.3655 4.3655 5.1061 5.1061 5.5844 5.5844 5.8066 5.8066 6.0242 6.0242 6.3593 6.3593 6.5301 6.5301 6.7784 6.7784 7.6095 7.6095 8.9505 8.9505 9.6034 9.6034 10.5078 10.5078 10.7915 10.7915 11.8608 11.8608 k =-0.2820 0.7884 0.4223 ( 3583 PWs) bands (ev): -31.4026 -31.4026 -31.4007 -31.4007 -12.6999 -12.6999 -12.6930 -12.6930 -12.3532 -12.3532 -12.3292 -12.3292 -12.3037 -12.3037 -12.2812 -12.2812 4.0177 4.0177 4.1220 4.1220 4.2598 4.2598 4.3660 4.3660 5.1249 5.1249 5.5882 5.5882 5.8012 5.8012 6.0165 6.0165 6.3616 6.3616 6.5247 6.5247 6.8015 6.8015 7.5837 7.5837 9.0159 9.0159 9.5995 9.5995 10.4691 10.4691 10.7416 10.7416 11.8509 11.8509 k =-0.2820 0.7884 0.4406 ( 3583 PWs) bands (ev): -31.4025 -31.4025 -31.4008 -31.4008 -12.6997 -12.6997 -12.6933 -12.6933 -12.3534 -12.3534 -12.3293 -12.3293 -12.3038 -12.3038 -12.2812 -12.2812 4.0253 4.0253 4.1192 4.1192 4.2607 4.2607 4.3657 4.3657 5.1454 5.1454 5.5893 5.5893 5.7973 5.7973 6.0083 6.0083 6.3645 6.3645 6.5193 6.5193 6.8254 6.8254 7.5556 7.5556 9.0813 9.0813 9.6011 9.6011 10.4282 10.4282 10.6906 10.6906 11.8444 11.8444 k =-0.2820 0.7884 0.4590 ( 3588 PWs) bands (ev): -31.4024 -31.4024 -31.4008 -31.4008 -12.6995 -12.6995 -12.6936 -12.6936 -12.3536 -12.3536 -12.3293 -12.3293 -12.3038 -12.3038 -12.2811 -12.2811 4.0326 4.0326 4.1164 4.1164 4.2617 4.2617 4.3648 4.3648 5.1674 5.1674 5.5873 5.5873 5.7952 5.7952 5.9998 5.9998 6.3680 6.3680 6.5141 6.5141 6.8502 6.8502 7.5252 7.5252 9.1465 9.1465 9.6082 9.6082 10.3856 10.3856 10.6388 10.6388 11.8412 11.8412 k =-0.2820 0.7884 0.4774 ( 3584 PWs) bands (ev): -31.4023 -31.4023 -31.4009 -31.4009 -12.6992 -12.6992 -12.6939 -12.6939 -12.3537 -12.3537 -12.3293 -12.3293 -12.3039 -12.3039 -12.2811 -12.2811 4.0395 4.0395 4.1138 4.1138 4.2629 4.2629 4.3634 4.3634 5.1906 5.1906 5.5822 5.5822 5.7950 5.7950 5.9909 5.9909 6.3719 6.3719 6.5089 6.5089 6.8759 6.8759 7.4929 7.4929 9.2110 9.2110 9.6206 9.6206 10.3416 10.3416 10.5862 10.5862 11.8410 11.8410 k =-0.2820 0.7884 0.4957 ( 3584 PWs) bands (ev): -31.4022 -31.4022 -31.4009 -31.4009 -12.6990 -12.6990 -12.6942 -12.6942 -12.3539 -12.3539 -12.3294 -12.3294 -12.3039 -12.3039 -12.2810 -12.2810 4.0461 4.0461 4.1112 4.1112 4.2642 4.2642 4.3615 4.3615 5.2150 5.2150 5.5740 5.5740 5.7966 5.7966 5.9817 5.9817 6.3763 6.3763 6.5038 6.5038 6.9027 6.9027 7.4588 7.4588 9.2744 9.2744 9.6379 9.6379 10.2969 10.2969 10.5332 10.5332 11.8437 11.8437 k =-0.2820 0.7884 0.5141 ( 3580 PWs) bands (ev): -31.4021 -31.4021 -31.4010 -31.4010 -12.6987 -12.6987 -12.6945 -12.6945 -12.3539 -12.3539 -12.3294 -12.3294 -12.3040 -12.3040 -12.2810 -12.2810 4.0523 4.0523 4.1087 4.1087 4.2655 4.2655 4.3593 4.3593 5.2402 5.2402 5.5628 5.5628 5.7997 5.7997 5.9725 5.9725 6.3809 6.3809 6.4989 6.4989 6.9306 6.9306 7.4233 7.4233 9.3362 9.3362 9.6595 9.6595 10.2522 10.2522 10.4800 10.4800 11.8492 11.8492 k =-0.2820 0.7884 0.5324 ( 3576 PWs) bands (ev): -31.4021 -31.4021 -31.4011 -31.4011 -12.6984 -12.6984 -12.6948 -12.6948 -12.3540 -12.3540 -12.3295 -12.3295 -12.3040 -12.3040 -12.2809 -12.2809 4.0580 4.0580 4.1063 4.1063 4.2669 4.2669 4.3570 4.3570 5.2661 5.2661 5.5491 5.5491 5.8039 5.8039 5.9634 5.9634 6.3857 6.3857 6.4942 6.4942 6.9597 6.9597 7.3867 7.3867 9.3958 9.3958 9.6845 9.6845 10.2087 10.2087 10.4268 10.4268 11.8572 11.8572 k =-0.2820 0.7884 0.5508 ( 3570 PWs) bands (ev): -31.4020 -31.4020 -31.4011 -31.4011 -12.6982 -12.6982 -12.6951 -12.6951 -12.3541 -12.3541 -12.3295 -12.3295 -12.3040 -12.3040 -12.2808 -12.2808 4.0632 4.0632 4.1039 4.1039 4.2682 4.2682 4.3547 4.3547 5.2923 5.2923 5.5330 5.5330 5.8088 5.8088 5.9545 5.9545 6.3904 6.3904 6.4897 6.4897 6.9900 6.9900 7.3494 7.3494 9.4526 9.4526 9.7113 9.7113 10.1678 10.1678 10.3741 10.3741 11.8675 11.8675 k =-0.2820 0.7884 0.5692 ( 3576 PWs) bands (ev): -31.4019 -31.4019 -31.4012 -31.4012 -12.6979 -12.6979 -12.6954 -12.6954 -12.3542 -12.3542 -12.3296 -12.3296 -12.3041 -12.3041 -12.2808 -12.2808 4.0679 4.0679 4.1016 4.1016 4.2695 4.2695 4.3526 4.3526 5.3187 5.3187 5.5149 5.5149 5.8139 5.8139 5.9464 5.9464 6.3948 6.3948 6.4857 6.4857 7.0215 7.0215 7.3116 7.3116 9.5056 9.5056 9.7376 9.7376 10.1321 10.1321 10.3225 10.3225 11.8798 11.8798 k =-0.2820 0.7884 0.5875 ( 3582 PWs) bands (ev): -31.4018 -31.4018 -31.4013 -31.4013 -12.6976 -12.6976 -12.6958 -12.6958 -12.3542 -12.3542 -12.3296 -12.3296 -12.3041 -12.3041 -12.2808 -12.2808 4.0720 4.0720 4.0994 4.0994 4.2705 4.2705 4.3507 4.3507 5.3448 5.3448 5.4951 5.4951 5.8189 5.8189 5.9392 5.9392 6.3987 6.3987 6.4821 6.4821 7.0541 7.0541 7.2737 7.2737 9.5536 9.5536 9.7598 9.7598 10.1050 10.1050 10.2734 10.2734 11.8935 11.8935 k =-0.2820 0.7884 0.6059 ( 3582 PWs) bands (ev): -31.4017 -31.4017 -31.4014 -31.4014 -12.6974 -12.6974 -12.6961 -12.6961 -12.3542 -12.3542 -12.3297 -12.3297 -12.3042 -12.3042 -12.2808 -12.2808 4.0754 4.0754 4.0974 4.0974 4.2713 4.2713 4.3493 4.3493 5.3703 5.3703 5.4742 5.4742 5.8230 5.8230 5.9335 5.9335 6.4018 6.4018 6.4794 6.4794 7.0877 7.0877 7.2362 7.2362 9.5943 9.5943 9.7743 9.7743 10.0900 10.0900 10.2290 10.2290 11.9074 11.9075 k =-0.2820 0.7884 0.6242 ( 3586 PWs) bands (ev): -31.4016 -31.4016 -31.4015 -31.4015 -12.6972 -12.6972 -12.6963 -12.6963 -12.3543 -12.3543 -12.3297 -12.3297 -12.3042 -12.3042 -12.2808 -12.2808 4.0777 4.0777 4.0959 4.0959 4.2718 4.2718 4.3484 4.3484 5.3938 5.3938 5.4535 5.4535 5.8258 5.8258 5.9298 5.9298 6.4038 6.4038 6.4776 6.4776 7.1216 7.1216 7.2000 7.2000 9.6233 9.6233 9.7798 9.7798 10.0878 10.0878 10.1942 10.1942 11.9192 11.9192 k =-0.2820 0.7884 0.6426 ( 3590 PWs) bands (ev): -31.4016 -31.4016 -31.4015 -31.4015 -12.6971 -12.6971 -12.6964 -12.6964 -12.3543 -12.3543 -12.3297 -12.3297 -12.3042 -12.3042 -12.2808 -12.2808 4.0786 4.0786 4.0953 4.0953 4.2720 4.2720 4.3481 4.3481 5.4074 5.4074 5.4408 5.4408 5.8268 5.8268 5.9285 5.9285 6.4045 6.4045 6.4770 6.4770 7.1462 7.1462 7.1745 7.1745 9.6343 9.6343 9.7805 9.7805 10.0900 10.0900 10.1795 10.1795 11.9242 11.9242 k =-0.2820 0.7884 0.6426 ( 3590 PWs) bands (ev): -31.4016 -31.4016 -31.4015 -31.4015 -12.6971 -12.6971 -12.6964 -12.6964 -12.3543 -12.3543 -12.3297 -12.3297 -12.3042 -12.3042 -12.2808 -12.2808 4.0786 4.0786 4.0953 4.0953 4.2720 4.2720 4.3481 4.3481 5.4074 5.4074 5.4408 5.4408 5.8268 5.8268 5.9285 5.9285 6.4045 6.4045 6.4770 6.4770 7.1462 7.1462 7.1745 7.1745 9.6343 9.6343 9.7805 9.7805 10.0900 10.0900 10.1795 10.1795 11.9242 11.9242 k =-0.2882 0.7710 0.6426 ( 3578 PWs) bands (ev): -31.4016 -31.4016 -31.4016 -31.4016 -12.6969 -12.6969 -12.6962 -12.6962 -12.3545 -12.3545 -12.3294 -12.3294 -12.3038 -12.3038 -12.2800 -12.2800 4.0803 4.0803 4.0954 4.0954 4.2728 4.2728 4.3494 4.3494 5.4083 5.4083 5.4412 5.4412 5.8181 5.8181 5.9296 5.9296 6.3906 6.3906 6.4623 6.4623 7.1504 7.1504 7.1695 7.1695 9.6214 9.6214 9.7655 9.7655 10.0891 10.0891 10.1717 10.1717 11.9654 11.9654 k =-0.2944 0.7536 0.6426 ( 3570 PWs) bands (ev): -31.4017 -31.4017 -31.4017 -31.4017 -12.6968 -12.6968 -12.6959 -12.6959 -12.3547 -12.3547 -12.3290 -12.3290 -12.3034 -12.3034 -12.2792 -12.2792 4.0821 4.0821 4.0956 4.0956 4.2741 4.2741 4.3511 4.3511 5.4086 5.4086 5.4414 5.4414 5.8090 5.8090 5.9296 5.9296 6.3750 6.3750 6.4462 6.4462 7.1522 7.1522 7.1627 7.1627 9.5973 9.5973 9.7283 9.7283 10.1165 10.1165 10.1813 10.1813 12.0091 12.0091 k =-0.3007 0.7362 0.6426 ( 3566 PWs) bands (ev): -31.4018 -31.4018 -31.4017 -31.4017 -12.6966 -12.6966 -12.6956 -12.6956 -12.3548 -12.3548 -12.3287 -12.3287 -12.3029 -12.3029 -12.2783 -12.2783 4.0839 4.0839 4.0958 4.0958 4.2758 4.2758 4.3531 4.3531 5.4083 5.4083 5.4414 5.4414 5.7993 5.7993 5.9284 5.9284 6.3579 6.3579 6.4290 6.4290 7.1520 7.1520 7.1545 7.1545 9.5615 9.5615 9.6753 9.6753 10.1656 10.1656 10.2084 10.2084 12.0551 12.0551 k =-0.3069 0.7187 0.6426 ( 3570 PWs) bands (ev): -31.4019 -31.4019 -31.4018 -31.4018 -12.6964 -12.6964 -12.6953 -12.6953 -12.3548 -12.3548 -12.3284 -12.3284 -12.3023 -12.3023 -12.2776 -12.2776 4.0858 4.0858 4.0961 4.0961 4.2779 4.2779 4.3554 4.3554 5.4073 5.4073 5.4411 5.4411 5.7892 5.7892 5.9257 5.9257 6.3400 6.3400 6.4112 6.4112 7.1453 7.1453 7.1501 7.1501 9.5157 9.5157 9.6132 9.6132 10.2292 10.2292 10.2510 10.2510 12.1032 12.1032 k =-0.3131 0.7013 0.6426 ( 3578 PWs) bands (ev): -31.4020 -31.4020 -31.4019 -31.4019 -12.6962 -12.6962 -12.6950 -12.6950 -12.3548 -12.3548 -12.3281 -12.3281 -12.3017 -12.3017 -12.2767 -12.2767 4.0877 4.0877 4.0963 4.0963 4.2805 4.2805 4.3580 4.3580 5.4054 5.4054 5.4404 5.4404 5.7785 5.7785 5.9213 5.9213 6.3217 6.3217 6.3931 6.3931 7.1354 7.1354 7.1468 7.1468 9.4623 9.4623 9.5462 9.5462 10.3028 10.3028 10.3061 10.3061 12.1533 12.1533 k =-0.3194 0.6839 0.6426 ( 3578 PWs) bands (ev): -31.4021 -31.4021 -31.4021 -31.4021 -12.6959 -12.6959 -12.6947 -12.6947 -12.3547 -12.3547 -12.3278 -12.3278 -12.3009 -12.3009 -12.2759 -12.2759 4.0896 4.0896 4.0966 4.0966 4.2834 4.2834 4.3609 4.3609 5.4025 5.4025 5.4393 5.4393 5.7674 5.7674 5.9152 5.9152 6.3036 6.3036 6.3752 6.3752 7.1251 7.1251 7.1425 7.1425 9.4036 9.4036 9.4766 9.4766 10.3710 10.3710 10.3835 10.3835 12.2054 12.2054 k =-0.3256 0.6665 0.6426 ( 3582 PWs) bands (ev): -31.4022 -31.4022 -31.4022 -31.4022 -12.6956 -12.6956 -12.6943 -12.6943 -12.3545 -12.3545 -12.3276 -12.3276 -12.3001 -12.3001 -12.2751 -12.2751 4.0915 4.0915 4.0969 4.0969 4.2866 4.2866 4.3640 4.3640 5.3986 5.3986 5.4378 5.4378 5.7560 5.7560 5.9070 5.9070 6.2864 6.2864 6.3578 6.3578 7.1145 7.1145 7.1372 7.1372 9.3415 9.3415 9.4057 9.4057 10.4435 10.4435 10.4696 10.4696 12.2593 12.2593 k =-0.3318 0.6491 0.6426 ( 3584 PWs) bands (ev): -31.4023 -31.4023 -31.4023 -31.4023 -12.6953 -12.6953 -12.6939 -12.6939 -12.3542 -12.3542 -12.3274 -12.3274 -12.2991 -12.2991 -12.2743 -12.2743 4.0934 4.0934 4.0971 4.0971 4.2902 4.2902 4.3673 4.3673 5.3935 5.3935 5.4358 5.4358 5.7444 5.7444 5.8967 5.8967 6.2705 6.2705 6.3413 6.3413 7.1037 7.1037 7.1313 7.1313 9.2773 9.2773 9.3346 9.3346 10.5217 10.5217 10.5597 10.5597 12.3148 12.3148 k =-0.3380 0.6317 0.6426 ( 3580 PWs) bands (ev): -31.4025 -31.4025 -31.4024 -31.4024 -12.6950 -12.6950 -12.6935 -12.6935 -12.3539 -12.3539 -12.3272 -12.3272 -12.2980 -12.2980 -12.2734 -12.2734 4.0953 4.0953 4.0973 4.0973 4.2940 4.2940 4.3708 4.3708 5.3870 5.3870 5.4331 5.4331 5.7329 5.7329 5.8844 5.8844 6.2564 6.2564 6.3259 6.3259 7.0929 7.0929 7.1246 7.1246 9.2121 9.2121 9.2637 9.2637 10.6043 10.6043 10.6529 10.6529 12.3720 12.3720 k =-0.3443 0.6142 0.6426 ( 3576 PWs) bands (ev): -31.4026 -31.4026 -31.4026 -31.4026 -12.6946 -12.6946 -12.6931 -12.6931 -12.3534 -12.3534 -12.3270 -12.3270 -12.2969 -12.2969 -12.2726 -12.2726 4.0970 4.0970 4.0976 4.0976 4.2980 4.2980 4.3744 4.3744 5.3791 5.3791 5.4297 5.4297 5.7216 5.7216 5.8703 5.8703 6.2444 6.2444 6.3120 6.3120 7.0820 7.0820 7.1174 7.1174 9.1467 9.1467 9.1937 9.1937 10.6901 10.6901 10.7482 10.7482 12.4305 12.4305 k =-0.3505 0.5968 0.6426 ( 3576 PWs) bands (ev): -31.4027 -31.4027 -31.4027 -31.4027 -12.6943 -12.6943 -12.6927 -12.6927 -12.3530 -12.3530 -12.3269 -12.3269 -12.2956 -12.2956 -12.2718 -12.2718 4.0977 4.0977 4.0987 4.0987 4.3021 4.3021 4.3780 4.3780 5.3697 5.3697 5.4254 5.4254 5.7109 5.7109 5.8547 5.8547 6.2346 6.2346 6.2995 6.2995 7.0711 7.0711 7.1095 7.1095 9.0817 9.0817 9.1250 9.1250 10.7782 10.7782 10.8448 10.8448 12.4902 12.4903 k =-0.3567 0.5794 0.6426 ( 3572 PWs) bands (ev): -31.4029 -31.4029 -31.4028 -31.4028 -12.6939 -12.6939 -12.6923 -12.6923 -12.3524 -12.3524 -12.3268 -12.3268 -12.2942 -12.2942 -12.2709 -12.2709 4.0979 4.0979 4.1003 4.1003 4.3063 4.3063 4.3816 4.3816 5.3589 5.3589 5.4201 5.4201 5.7010 5.7010 5.8381 5.8381 6.2269 6.2269 6.2887 6.2887 7.0600 7.0600 7.1011 7.1011 9.0176 9.0176 9.0578 9.0578 10.8677 10.8677 10.9421 10.9421 12.5512 12.5512 k =-0.3630 0.5620 0.6426 ( 3572 PWs) bands (ev): -31.4030 -31.4030 -31.4030 -31.4030 -12.6935 -12.6935 -12.6919 -12.6919 -12.3518 -12.3518 -12.3269 -12.3269 -12.2928 -12.2928 -12.2701 -12.2701 4.0980 4.0980 4.1017 4.1017 4.3106 4.3106 4.3850 4.3850 5.3466 5.3466 5.4138 5.4138 5.6921 5.6921 5.8211 5.8211 6.2212 6.2212 6.2794 6.2794 7.0489 7.0489 7.0921 7.0921 8.9549 8.9549 8.9924 8.9924 10.9580 10.9580 11.0396 11.0396 12.6131 12.6131 k =-0.3692 0.5446 0.6426 ( 3572 PWs) bands (ev): -31.4032 -31.4032 -31.4031 -31.4031 -12.6932 -12.6932 -12.6916 -12.6916 -12.3512 -12.3512 -12.3269 -12.3269 -12.2913 -12.2913 -12.2692 -12.2692 4.0981 4.0981 4.1031 4.1031 4.3149 4.3149 4.3884 4.3884 5.3331 5.3331 5.4064 5.4064 5.6843 5.6843 5.8042 5.8042 6.2172 6.2172 6.2717 6.2717 7.0375 7.0375 7.0824 7.0824 8.8939 8.8939 8.9292 8.9292 11.0484 11.0484 11.1365 11.1365 12.6757 12.6757 k =-0.3754 0.5272 0.6426 ( 3576 PWs) bands (ev): -31.4033 -31.4033 -31.4033 -31.4033 -12.6928 -12.6928 -12.6912 -12.6912 -12.3506 -12.3506 -12.3270 -12.3270 -12.2897 -12.2897 -12.2684 -12.2684 4.0982 4.0982 4.1042 4.1042 4.3191 4.3191 4.3915 4.3915 5.3186 5.3186 5.3977 5.3977 5.6778 5.6778 5.7879 5.7879 6.2149 6.2149 6.2655 6.2655 7.0260 7.0260 7.0722 7.0722 8.8349 8.8349 8.8683 8.8683 11.1385 11.1385 11.2325 11.2325 12.7387 12.7387 k =-0.3816 0.5097 0.6426 ( 3580 PWs) bands (ev): -31.4035 -31.4035 -31.4034 -31.4034 -12.6925 -12.6925 -12.6909 -12.6909 -12.3499 -12.3499 -12.3272 -12.3272 -12.2881 -12.2881 -12.2676 -12.2676 4.0982 4.0982 4.1053 4.1053 4.3232 4.3232 4.3943 4.3943 5.3034 5.3034 5.3878 5.3878 5.6725 5.6725 5.7728 5.7728 6.2138 6.2138 6.2607 6.2607 7.0142 7.0142 7.0612 7.0612 8.7782 8.7782 8.8100 8.8100 11.2277 11.2277 11.3271 11.3271 12.8020 12.8020 k =-0.3879 0.4923 0.6426 ( 3580 PWs) bands (ev): -31.4036 -31.4036 -31.4036 -31.4036 -12.6922 -12.6922 -12.6906 -12.6906 -12.3492 -12.3492 -12.3273 -12.3273 -12.2864 -12.2864 -12.2668 -12.2668 4.0981 4.0981 4.1061 4.1061 4.3272 4.3272 4.3967 4.3967 5.2878 5.2878 5.3768 5.3768 5.6684 5.6684 5.7590 5.7590 6.2138 6.2138 6.2570 6.2570 7.0021 7.0021 7.0496 7.0496 8.7241 8.7241 8.7544 8.7544 11.3158 11.3158 11.4199 11.4199 12.8650 12.8650 k =-0.3941 0.4749 0.6426 ( 3576 PWs) bands (ev): -31.4038 -31.4038 -31.4037 -31.4037 -12.6918 -12.6918 -12.6903 -12.6903 -12.3484 -12.3484 -12.3275 -12.3275 -12.2847 -12.2847 -12.2660 -12.2660 4.0980 4.0980 4.1068 4.1068 4.3310 4.3310 4.3987 4.3987 5.2723 5.2723 5.3648 5.3648 5.6655 5.6655 5.7469 5.7469 6.2147 6.2147 6.2545 6.2545 6.9898 6.9898 7.0374 7.0374 8.6727 8.6727 8.7016 8.7016 11.4023 11.4023 11.5106 11.5106 12.9269 12.9269 k =-0.4003 0.4575 0.6426 ( 3580 PWs) bands (ev): -31.4039 -31.4039 -31.4039 -31.4039 -12.6915 -12.6915 -12.6900 -12.6900 -12.3476 -12.3476 -12.3278 -12.3278 -12.2830 -12.2830 -12.2653 -12.2653 4.0979 4.0979 4.1074 4.1074 4.3346 4.3346 4.4002 4.4002 5.2570 5.2570 5.3519 5.3519 5.6637 5.6637 5.7364 5.7364 6.2163 6.2163 6.2529 6.2529 6.9773 6.9773 7.0245 7.0245 8.6242 8.6242 8.6517 8.6517 11.4870 11.4870 11.5989 11.5989 12.9863 12.9863 k =-0.4066 0.4401 0.6426 ( 3578 PWs) bands (ev): -31.4041 -31.4041 -31.4040 -31.4040 -12.6912 -12.6912 -12.6897 -12.6897 -12.3469 -12.3469 -12.3281 -12.3281 -12.2813 -12.2813 -12.2646 -12.2646 4.0977 4.0977 4.1077 4.1077 4.3380 4.3380 4.4011 4.4011 5.2425 5.2425 5.3384 5.3384 5.6628 5.6628 5.7276 5.7276 6.2185 6.2185 6.2521 6.2521 6.9646 6.9646 7.0110 7.0110 8.5787 8.5787 8.6049 8.6049 11.5696 11.5696 11.6845 11.6845 13.0400 13.0400 k =-0.4128 0.4227 0.6426 ( 3582 PWs) bands (ev): -31.4042 -31.4042 -31.4042 -31.4042 -12.6909 -12.6909 -12.6895 -12.6895 -12.3461 -12.3461 -12.3284 -12.3284 -12.2796 -12.2796 -12.2639 -12.2639 4.0976 4.0976 4.1079 4.1079 4.3411 4.3411 4.4016 4.4016 5.2288 5.2288 5.3246 5.3246 5.6626 5.6626 5.7203 5.7203 6.2211 6.2211 6.2520 6.2520 6.9517 6.9517 6.9970 6.9970 8.5364 8.5364 8.5613 8.5613 11.6500 11.6500 11.7674 11.7674 13.0806 13.0807 k =-0.4190 0.4052 0.6426 ( 3578 PWs) bands (ev): -31.4043 -31.4043 -31.4043 -31.4043 -12.6907 -12.6907 -12.6893 -12.6893 -12.3453 -12.3453 -12.3287 -12.3287 -12.2779 -12.2779 -12.2633 -12.2633 4.0973 4.0973 4.1079 4.1079 4.3440 4.3440 4.4015 4.4015 5.2162 5.2162 5.3107 5.3107 5.6632 5.6632 5.7145 5.7145 6.2241 6.2241 6.2525 6.2525 6.9389 6.9389 6.9826 6.9826 8.4972 8.4972 8.5207 8.5207 11.7280 11.7280 11.8472 11.8472 13.0953 13.0953 k =-0.4252 0.3878 0.6426 ( 3578 PWs) bands (ev): -31.4044 -31.4044 -31.4044 -31.4044 -12.6904 -12.6904 -12.6891 -12.6891 -12.3444 -12.3444 -12.3291 -12.3291 -12.2762 -12.2762 -12.2627 -12.2627 4.0971 4.0971 4.1077 4.1077 4.3466 4.3466 4.4008 4.4008 5.2050 5.2050 5.2968 5.2968 5.6644 5.6644 5.7099 5.7099 6.2273 6.2273 6.2534 6.2534 6.9261 6.9261 6.9680 6.9680 8.4612 8.4612 8.4834 8.4834 11.8034 11.8034 11.9241 11.9241 13.0802 13.0803 k =-0.4315 0.3704 0.6426 ( 3582 PWs) bands (ev): -31.4046 -31.4046 -31.4045 -31.4045 -12.6902 -12.6902 -12.6889 -12.6889 -12.3436 -12.3436 -12.3295 -12.3295 -12.2746 -12.2746 -12.2622 -12.2622 4.0969 4.0969 4.1073 4.1073 4.3490 4.3490 4.3997 4.3997 5.1952 5.1952 5.2832 5.2832 5.6661 5.6661 5.7063 5.7063 6.2307 6.2307 6.2546 6.2546 6.9136 6.9136 6.9532 6.9532 8.4285 8.4285 8.4492 8.4492 11.8764 11.8764 11.9980 11.9980 13.0474 13.0474 k =-0.4377 0.3530 0.6426 ( 3574 PWs) bands (ev): -31.4047 -31.4047 -31.4047 -31.4047 -12.6899 -12.6899 -12.6888 -12.6888 -12.3428 -12.3428 -12.3299 -12.3299 -12.2731 -12.2731 -12.2617 -12.2617 4.0967 4.0967 4.1068 4.1068 4.3513 4.3513 4.3980 4.3980 5.1869 5.1869 5.2701 5.2701 5.6681 5.6681 5.7037 5.7037 6.2342 6.2342 6.2559 6.2559 6.9015 6.9015 6.9385 6.9385 8.3990 8.3990 8.4182 8.4182 11.9468 11.9468 12.0689 12.0689 13.0069 13.0069 k =-0.4439 0.3356 0.6426 ( 3570 PWs) bands (ev): -31.4048 -31.4048 -31.4048 -31.4048 -12.6897 -12.6897 -12.6887 -12.6887 -12.3420 -12.3420 -12.3304 -12.3304 -12.2716 -12.2716 -12.2613 -12.2613 4.0965 4.0965 4.1062 4.1062 4.3534 4.3534 4.3960 4.3960 5.1801 5.1801 5.2576 5.2576 5.6705 5.6705 5.7017 5.7017 6.2377 6.2377 6.2574 6.2574 6.8899 6.8899 6.9240 6.9240 8.3727 8.3727 8.3902 8.3902 12.0147 12.0147 12.1370 12.1370 12.9631 12.9631 k =-0.4502 0.3182 0.6426 ( 3574 PWs) bands (ev): -31.4049 -31.4049 -31.4048 -31.4048 -12.6895 -12.6895 -12.6886 -12.6886 -12.3412 -12.3412 -12.3309 -12.3309 -12.2701 -12.2701 -12.2611 -12.2611 4.0964 4.0964 4.1055 4.1055 4.3553 4.3553 4.3937 4.3937 5.1748 5.1748 5.2457 5.2457 5.6730 5.6730 5.7002 5.7002 6.2412 6.2412 6.2589 6.2589 6.8790 6.8790 6.9100 6.9100 8.3496 8.3496 8.3654 8.3654 12.0802 12.0802 12.2022 12.2022 12.9176 12.9176 k =-0.4564 0.3007 0.6426 ( 3566 PWs) bands (ev): -31.4049 -31.4049 -31.4049 -31.4049 -12.6893 -12.6893 -12.6885 -12.6885 -12.3405 -12.3405 -12.3313 -12.3313 -12.2688 -12.2688 -12.2608 -12.2608 4.0963 4.0963 4.1047 4.1047 4.3572 4.3572 4.3911 4.3911 5.1710 5.1710 5.2346 5.2346 5.6757 5.6757 5.6992 5.6992 6.2446 6.2446 6.2603 6.2603 6.8691 6.8691 6.8967 6.8967 8.3295 8.3295 8.3435 8.3435 12.1433 12.1433 12.2647 12.2647 12.8714 12.8714 k =-0.4626 0.2833 0.6426 ( 3556 PWs) bands (ev): -31.4050 -31.4050 -31.4050 -31.4050 -12.6891 -12.6891 -12.6884 -12.6884 -12.3397 -12.3397 -12.3319 -12.3319 -12.2675 -12.2675 -12.2607 -12.2607 4.0963 4.0963 4.1038 4.1038 4.3591 4.3591 4.3883 4.3883 5.1686 5.1686 5.2242 5.2242 5.6785 5.6785 5.6983 5.6983 6.2478 6.2478 6.2615 6.2615 6.8603 6.8603 6.8844 6.8844 8.3124 8.3124 8.3246 8.3246 12.2042 12.2042 12.3248 12.3248 12.8247 12.8247 k =-0.4689 0.2659 0.6426 ( 3556 PWs) bands (ev): -31.4051 -31.4051 -31.4051 -31.4051 -12.6890 -12.6890 -12.6884 -12.6884 -12.3389 -12.3389 -12.3324 -12.3324 -12.2663 -12.2663 -12.2606 -12.2606 4.0964 4.0964 4.1028 4.1028 4.3609 4.3609 4.3854 4.3854 5.1675 5.1675 5.2146 5.2146 5.6812 5.6812 5.6975 5.6975 6.2509 6.2509 6.2624 6.2624 6.8529 6.8529 6.8731 6.8731 8.2983 8.2983 8.3085 8.3085 12.2630 12.2630 12.3825 12.3825 12.7776 12.7776 k =-0.4751 0.2485 0.6426 ( 3552 PWs) bands (ev): -31.4051 -31.4051 -31.4051 -31.4051 -12.6888 -12.6888 -12.6883 -12.6883 -12.3382 -12.3382 -12.3330 -12.3330 -12.2652 -12.2652 -12.2607 -12.2607 4.0966 4.0966 4.1019 4.1019 4.3628 4.3628 4.3825 4.3825 5.1677 5.1677 5.2059 5.2059 5.6838 5.6838 5.6968 5.6968 6.2537 6.2537 6.2630 6.2630 6.8469 6.8469 6.8632 6.8632 8.2870 8.2870 8.2953 8.2953 12.3199 12.3199 12.4379 12.4379 12.7302 12.7302 k =-0.4813 0.2311 0.6426 ( 3564 PWs) bands (ev): -31.4052 -31.4052 -31.4052 -31.4052 -12.6888 -12.6888 -12.6884 -12.6884 -12.3375 -12.3375 -12.3336 -12.3336 -12.2643 -12.2643 -12.2609 -12.2609 4.0969 4.0969 4.1010 4.1010 4.3648 4.3648 4.3796 4.3796 5.1690 5.1690 5.1980 5.1980 5.6862 5.6862 5.6959 5.6959 6.2562 6.2562 6.2633 6.2633 6.8425 6.8425 6.8548 6.8548 8.2786 8.2786 8.2848 8.2848 12.3749 12.3749 12.4911 12.4911 12.6827 12.6827 k =-0.4875 0.2137 0.6426 ( 3568 PWs) bands (ev): -31.4052 -31.4052 -31.4052 -31.4052 -12.6887 -12.6887 -12.6884 -12.6884 -12.3368 -12.3368 -12.3342 -12.3342 -12.2635 -12.2635 -12.2612 -12.2612 4.0973 4.0973 4.1001 4.1001 4.3670 4.3670 4.3768 4.3768 5.1714 5.1714 5.1909 5.1909 5.6884 5.6884 5.6949 5.6949 6.2584 6.2584 6.2632 6.2632 6.8399 6.8399 6.8482 6.8482 8.2729 8.2729 8.2770 8.2770 12.4283 12.4283 12.5414 12.5414 12.6359 12.6359 k =-0.4938 0.1962 0.6426 ( 3568 PWs) bands (ev): -31.4052 -31.4052 -31.4052 -31.4052 -12.6886 -12.6886 -12.6885 -12.6885 -12.3361 -12.3361 -12.3348 -12.3348 -12.2628 -12.2628 -12.2616 -12.2616 4.0979 4.0979 4.0993 4.0993 4.3692 4.3692 4.3741 4.3741 5.1749 5.1749 5.1847 5.1847 5.6904 5.6904 5.6937 5.6937 6.2602 6.2602 6.2626 6.2626 6.8391 6.8391 6.8433 6.8433 8.2699 8.2699 8.2720 8.2720 12.4802 12.4802 12.5702 12.5702 12.6084 12.6084 k =-0.5000 0.1788 0.6426 ( 3568 PWs) bands (ev): -31.4052 -31.4052 -31.4052 -31.4052 -12.6885 -12.6885 -12.6885 -12.6885 -12.3354 -12.3354 -12.3354 -12.3354 -12.2621 -12.2621 -12.2621 -12.2621 4.0985 4.0985 4.0985 4.0985 4.3716 4.3716 4.3716 4.3716 5.1793 5.1793 5.1793 5.1793 5.6922 5.6922 5.6922 5.6922 6.2616 6.2616 6.2616 6.2616 6.8402 6.8402 6.8402 6.8402 8.2696 8.2696 8.2696 8.2696 12.5300 12.5300 12.5300 12.5300 12.6478 12.6478 k =-0.5000 0.1788 0.6426 ( 3568 PWs) bands (ev): -31.4052 -31.4052 -31.4052 -31.4052 -12.6885 -12.6885 -12.6885 -12.6885 -12.3354 -12.3354 -12.3354 -12.3354 -12.2621 -12.2621 -12.2621 -12.2621 4.0985 4.0985 4.0985 4.0985 4.3716 4.3716 4.3716 4.3716 5.1793 5.1793 5.1793 5.1793 5.6922 5.6922 5.6922 5.6922 6.2616 6.2616 6.2616 6.2616 6.8402 6.8402 6.8402 6.8402 8.2696 8.2696 8.2696 8.2696 12.5300 12.5300 12.5300 12.5300 12.6478 12.6478 k =-0.5000 0.1788 0.6242 ( 3568 PWs) bands (ev): -31.4053 -31.4053 -31.4051 -31.4051 -12.6889 -12.6889 -12.6881 -12.6881 -12.3357 -12.3357 -12.3352 -12.3352 -12.2625 -12.2625 -12.2617 -12.2617 4.0958 4.0958 4.1003 4.1003 4.3708 4.3708 4.3721 4.3721 5.1434 5.1434 5.2127 5.2127 5.6772 5.6772 5.7074 5.7074 6.2487 6.2487 6.2736 6.2736 6.7664 6.7664 6.9211 6.9211 8.1596 8.1596 8.3809 8.3809 12.5191 12.5191 12.5305 12.5305 12.6468 12.6469 k =-0.5000 0.1788 0.6059 ( 3564 PWs) bands (ev): -31.4054 -31.4054 -31.4050 -31.4050 -12.6891 -12.6891 -12.6877 -12.6877 -12.3358 -12.3358 -12.3348 -12.3348 -12.2630 -12.2630 -12.2614 -12.2614 4.0922 4.0922 4.1010 4.1010 4.3696 4.3696 4.3722 4.3722 5.1050 5.1050 5.2436 5.2436 5.6626 5.6626 5.7229 5.7229 6.2351 6.2351 6.2846 6.2846 6.7000 6.7000 7.0087 7.0087 8.0511 8.0511 8.4933 8.4933 12.5030 12.5030 12.5194 12.5194 12.6606 12.6606 k =-0.5000 0.1788 0.5875 ( 3560 PWs) bands (ev): -31.4055 -31.4055 -31.4049 -31.4049 -12.6893 -12.6893 -12.6872 -12.6872 -12.3358 -12.3358 -12.3344 -12.3344 -12.2635 -12.2635 -12.2611 -12.2611 4.0879 4.0879 4.1005 4.1005 4.3681 4.3681 4.3719 4.3719 5.0644 5.0644 5.2719 5.2719 5.6484 5.6484 5.7385 5.7385 6.2207 6.2207 6.2942 6.2942 6.6414 6.6414 7.1025 7.1025 7.9443 7.9443 8.6065 8.6065 12.4841 12.4841 12.5027 12.5027 12.6844 12.6844 k =-0.5000 0.1788 0.5692 ( 3560 PWs) bands (ev): -31.4056 -31.4056 -31.4049 -31.4049 -12.6895 -12.6895 -12.6866 -12.6866 -12.3358 -12.3358 -12.3340 -12.3340 -12.2640 -12.2640 -12.2609 -12.2609 4.0829 4.0829 4.0988 4.0988 4.3662 4.3662 4.3713 4.3713 5.0218 5.0218 5.2978 5.2978 5.6347 5.6347 5.7542 5.7542 6.2057 6.2057 6.3022 6.3022 6.5910 6.5910 7.2019 7.2019 7.8398 7.8398 8.7203 8.7203 12.4619 12.4619 12.4867 12.4867 12.7137 12.7137 k =-0.5000 0.1788 0.5508 ( 3556 PWs) bands (ev): -31.4057 -31.4057 -31.4048 -31.4048 -12.6896 -12.6896 -12.6859 -12.6859 -12.3357 -12.3357 -12.3335 -12.3335 -12.2646 -12.2646 -12.2606 -12.2606 4.0771 4.0771 4.0958 4.0958 4.3641 4.3641 4.3703 4.3703 4.9776 4.9776 5.3213 5.3213 5.6214 5.6214 5.7699 5.7699 6.1902 6.1902 6.3081 6.3081 6.5491 6.5491 7.3063 7.3063 7.7379 7.7379 8.8345 8.8345 12.4365 12.4365 12.4741 12.4741 12.7455 12.7455 k =-0.5000 0.1788 0.5324 ( 3556 PWs) bands (ev): -31.4058 -31.4058 -31.4047 -31.4047 -12.6896 -12.6896 -12.6853 -12.6853 -12.3355 -12.3355 -12.3329 -12.3329 -12.2652 -12.2652 -12.2605 -12.2605 4.0706 4.0706 4.0915 4.0915 4.3617 4.3617 4.3689 4.3689 4.9324 4.9324 5.3426 5.3426 5.6085 5.6085 5.7854 5.7854 6.1742 6.1742 6.3114 6.3114 6.5159 6.5159 7.4131 7.4131 7.6411 7.6411 8.9488 8.9488 12.4089 12.4089 12.4652 12.4652 12.7775 12.7775 k =-0.5000 0.1788 0.5141 ( 3552 PWs) bands (ev): -31.4059 -31.4059 -31.4046 -31.4046 -12.6896 -12.6896 -12.6846 -12.6846 -12.3353 -12.3353 -12.3323 -12.3323 -12.2658 -12.2658 -12.2603 -12.2603 4.0629 4.0629 4.0862 4.0862 4.3590 4.3590 4.3672 4.3672 4.8864 4.8864 5.3617 5.3617 5.5962 5.5962 5.8007 5.8007 6.1579 6.1579 6.3118 6.3118 6.4915 6.4915 7.4920 7.4920 7.5793 7.5793 9.0629 9.0629 12.3802 12.3802 12.4599 12.4599 12.8085 12.8086 k =-0.5000 0.1788 0.4957 ( 3544 PWs) bands (ev): -31.4060 -31.4060 -31.4046 -31.4046 -12.6896 -12.6896 -12.6838 -12.6838 -12.3349 -12.3349 -12.3316 -12.3316 -12.2665 -12.2665 -12.2602 -12.2602 4.0535 4.0535 4.0803 4.0803 4.3561 4.3561 4.3651 4.3651 4.8404 4.8404 5.3788 5.3788 5.5843 5.5843 5.8155 5.8155 6.1417 6.1417 6.3093 6.3093 6.4753 6.4753 7.4294 7.4294 7.6662 7.6662 9.1767 9.1767 12.3505 12.3505 12.4580 12.4580 12.8387 12.8387 k =-0.5000 0.1788 0.4774 ( 3536 PWs) bands (ev): -31.4061 -31.4061 -31.4045 -31.4045 -12.6894 -12.6894 -12.6830 -12.6830 -12.3345 -12.3345 -12.3309 -12.3309 -12.2672 -12.2672 -12.2601 -12.2601 4.0420 4.0420 4.0745 4.0745 4.3529 4.3529 4.3627 4.3627 4.7950 4.7950 5.3941 5.3941 5.5730 5.5730 5.8298 5.8298 6.1258 6.1258 6.3046 6.3046 6.4659 6.4659 7.3401 7.3401 7.7866 7.7866 9.2897 9.2897 12.3203 12.3203 12.4596 12.4596 12.8681 12.8681 k =-0.5000 0.1788 0.4590 ( 3538 PWs) bands (ev): -31.4063 -31.4063 -31.4044 -31.4044 -12.6893 -12.6893 -12.6822 -12.6822 -12.3341 -12.3341 -12.3301 -12.3301 -12.2681 -12.2681 -12.2601 -12.2601 4.0277 4.0277 4.0690 4.0690 4.3495 4.3495 4.3600 4.3600 4.7505 4.7505 5.4074 5.4074 5.5622 5.5622 5.8434 5.8434 6.1106 6.1106 6.2987 6.2987 6.4618 6.4618 7.2513 7.2513 7.9133 7.9133 9.4018 9.4018 12.2895 12.2895 12.4645 12.4645 12.8971 12.8971 k =-0.5000 0.1788 0.4406 ( 3534 PWs) bands (ev): -31.4064 -31.4064 -31.4044 -31.4044 -12.6890 -12.6890 -12.6814 -12.6814 -12.3335 -12.3335 -12.3293 -12.3293 -12.2689 -12.2689 -12.2600 -12.2600 4.0106 4.0106 4.0642 4.0642 4.3458 4.3458 4.3570 4.3570 4.7076 4.7076 5.4191 5.4191 5.5519 5.5519 5.8559 5.8559 6.0965 6.0965 6.2927 6.2927 6.4612 6.4612 7.1651 7.1651 8.0441 8.0441 9.5126 9.5126 12.2586 12.2586 12.4730 12.4730 12.9254 12.9254 k =-0.5000 0.1788 0.4223 ( 3532 PWs) bands (ev): -31.4065 -31.4065 -31.4043 -31.4043 -12.6888 -12.6888 -12.6805 -12.6805 -12.3329 -12.3329 -12.3285 -12.3285 -12.2698 -12.2698 -12.2600 -12.2600 3.9905 3.9905 4.0601 4.0601 4.3419 4.3419 4.3537 4.3537 4.6667 4.6667 5.4290 5.4290 5.5422 5.5422 5.8671 5.8671 6.0839 6.0839 6.2874 6.2874 6.4627 6.4627 7.0822 7.0822 8.1783 8.1783 9.6219 9.6219 12.2274 12.2274 12.4848 12.4848 12.9529 12.9529 k =-0.5000 0.1788 0.4039 ( 3534 PWs) bands (ev): -31.4066 -31.4066 -31.4043 -31.4043 -12.6885 -12.6885 -12.6797 -12.6797 -12.3322 -12.3322 -12.3277 -12.3277 -12.2707 -12.2707 -12.2601 -12.2601 3.9677 3.9677 4.0567 4.0567 4.3378 4.3378 4.3502 4.3502 4.6282 4.6282 5.4373 5.4373 5.5330 5.5330 5.8767 5.8767 6.0732 6.0732 6.2830 6.2830 6.4653 6.4653 7.0030 7.0030 8.3155 8.3155 9.7292 9.7292 12.1962 12.1962 12.5000 12.5000 12.9788 12.9788 k =-0.5000 0.1788 0.3856 ( 3534 PWs) bands (ev): -31.4067 -31.4067 -31.4042 -31.4042 -12.6882 -12.6882 -12.6788 -12.6788 -12.3314 -12.3314 -12.3269 -12.3269 -12.2716 -12.2716 -12.2602 -12.2602 3.9424 3.9424 4.0541 4.0541 4.3335 4.3335 4.3464 4.3464 4.5922 4.5922 5.4440 5.4440 5.5243 5.5243 5.8844 5.8844 6.0647 6.0647 6.2798 6.2798 6.4684 6.4684 6.9279 6.9279 8.4551 8.4551 9.8345 9.8345 12.1651 12.1651 12.5183 12.5183 13.0026 13.0026 k =-0.5000 0.1788 0.3672 ( 3546 PWs) bands (ev): -31.4068 -31.4068 -31.4042 -31.4042 -12.6879 -12.6879 -12.6779 -12.6779 -12.3306 -12.3306 -12.3260 -12.3260 -12.2727 -12.2727 -12.2603 -12.2603 3.9149 3.9149 4.0522 4.0522 4.3290 4.3290 4.3424 4.3424 4.5588 4.5588 5.4491 5.4491 5.5162 5.5162 5.8899 5.8899 6.0585 6.0585 6.2778 6.2778 6.4712 6.4712 6.8575 6.8575 8.5969 8.5969 9.9372 9.9372 12.1342 12.1342 12.5397 12.5397 13.0229 13.0229 k =-0.5000 0.1788 0.3488 ( 3550 PWs) bands (ev): -31.4069 -31.4069 -31.4042 -31.4042 -12.6876 -12.6876 -12.6770 -12.6770 -12.3297 -12.3297 -12.3252 -12.3252 -12.2737 -12.2737 -12.2604 -12.2604 3.8855 3.8855 4.0512 4.0512 4.3243 4.3243 4.3382 4.3382 4.5282 4.5282 5.4525 5.4525 5.5086 5.5086 5.8929 5.8929 6.0547 6.0547 6.2770 6.2770 6.4731 6.4731 6.7926 6.7926 8.7405 8.7405 10.0372 10.0372 12.1038 12.1038 12.5639 12.5639 13.0382 13.0382 k =-0.5000 0.1788 0.3305 ( 3552 PWs) bands (ev): -31.4070 -31.4070 -31.4041 -31.4041 -12.6872 -12.6872 -12.6762 -12.6762 -12.3288 -12.3288 -12.3243 -12.3243 -12.2748 -12.2748 -12.2605 -12.2605 3.8548 3.8548 4.0509 4.0509 4.3195 4.3195 4.3337 4.3337 4.5001 4.5001 5.4545 5.4545 5.5016 5.5016 5.8938 5.8938 6.0530 6.0530 6.2770 6.2770 6.4731 6.4731 6.7341 6.7341 8.8855 8.8855 10.1342 10.1342 12.0739 12.0739 12.5907 12.5907 13.0462 13.0462 k =-0.5000 0.1788 0.3121 ( 3558 PWs) bands (ev): -31.4071 -31.4071 -31.4041 -31.4041 -12.6868 -12.6868 -12.6754 -12.6754 -12.3278 -12.3278 -12.3235 -12.3235 -12.2760 -12.2760 -12.2607 -12.2607 3.8230 3.8230 4.0515 4.0515 4.3146 4.3146 4.3291 4.3291 4.4745 4.4745 5.4548 5.4548 5.4951 5.4951 5.8926 5.8926 6.0529 6.0529 6.2778 6.2778 6.4699 6.4699 6.6836 6.6836 9.0316 9.0316 10.2278 10.2278 12.0449 12.0449 12.6198 12.6198 13.0449 13.0449 k =-0.5000 0.1788 0.2938 ( 3574 PWs) bands (ev): -31.4073 -31.4073 -31.4041 -31.4041 -12.6865 -12.6865 -12.6746 -12.6746 -12.3268 -12.3268 -12.3226 -12.3226 -12.2772 -12.2772 -12.2609 -12.2609 3.7908 3.7908 4.0528 4.0528 4.3096 4.3096 4.3242 4.3242 4.4511 4.4511 5.4537 5.4537 5.4892 5.4892 5.8899 5.8899 6.0540 6.0540 6.2789 6.2789 6.4619 6.4619 6.6432 6.6432 9.1784 9.1784 10.3179 10.3179 12.0168 12.0168 12.6508 12.6508 13.0335 13.0335 k =-0.5000 0.1788 0.2754 ( 3574 PWs) bands (ev): -31.4073 -31.4073 -31.4040 -31.4040 -12.6861 -12.6861 -12.6738 -12.6738 -12.3257 -12.3257 -12.3218 -12.3218 -12.2783 -12.2783 -12.2610 -12.2610 3.7585 3.7585 4.0550 4.0550 4.3045 4.3045 4.3191 4.3191 4.4298 4.4298 5.4510 5.4510 5.4837 5.4837 5.8860 5.8860 6.0556 6.0556 6.2798 6.2798 6.4479 6.4479 6.6146 6.6146 9.3253 9.3253 10.4042 10.4042 11.9901 11.9901 12.6831 12.6831 13.0132 13.0132 k =-0.5000 0.1788 0.2570 ( 3578 PWs) bands (ev): -31.4074 -31.4074 -31.4040 -31.4040 -12.6857 -12.6857 -12.6730 -12.6730 -12.3245 -12.3245 -12.3209 -12.3209 -12.2796 -12.2796 -12.2612 -12.2612 3.7267 3.7267 4.0581 4.0581 4.2995 4.2995 4.3139 4.3139 4.4104 4.4104 5.4470 5.4470 5.4788 5.4788 5.8814 5.8814 6.0573 6.0573 6.2795 6.2795 6.4293 6.4293 6.5972 6.5972 9.4720 9.4720 10.4864 10.4864 11.9647 11.9647 12.7161 12.7161 12.9859 12.9860 k =-0.5000 0.1788 0.2387 ( 3578 PWs) bands (ev): -31.4075 -31.4075 -31.4040 -31.4040 -12.6853 -12.6853 -12.6722 -12.6722 -12.3233 -12.3233 -12.3201 -12.3201 -12.2808 -12.2808 -12.2614 -12.2614 3.6956 3.6956 4.0619 4.0619 4.2944 4.2944 4.3086 4.3086 4.3926 4.3926 5.4416 5.4416 5.4744 5.4744 5.8765 5.8765 6.0586 6.0586 6.2764 6.2764 6.4100 6.4100 6.5884 6.5884 9.6178 9.6178 10.5646 10.5646 11.9410 11.9410 12.7490 12.7490 12.9535 12.9535 k =-0.5000 0.1788 0.2203 ( 3574 PWs) bands (ev): -31.4076 -31.4076 -31.4040 -31.4040 -12.6849 -12.6849 -12.6715 -12.6715 -12.3221 -12.3221 -12.3193 -12.3193 -12.2821 -12.2821 -12.2616 -12.2616 3.6657 3.6657 4.0666 4.0666 4.2894 4.2894 4.3031 4.3031 4.3763 4.3763 5.4351 5.4351 5.4705 5.4705 5.8714 5.8714 6.0594 6.0594 6.2691 6.2691 6.3947 6.3947 6.5850 6.5850 9.7621 9.7621 10.6385 10.6385 11.9192 11.9192 12.7802 12.7802 12.9171 12.9171 k =-0.5000 0.1788 0.2020 ( 3574 PWs) bands (ev): -31.4077 -31.4077 -31.4040 -31.4040 -12.6845 -12.6845 -12.6708 -12.6708 -12.3208 -12.3208 -12.3185 -12.3185 -12.2834 -12.2834 -12.2617 -12.2617 3.6372 3.6372 4.0720 4.0720 4.2844 4.2844 4.2976 4.2976 4.3614 4.3614 5.4275 5.4275 5.4670 5.4670 5.8664 5.8664 6.0597 6.0597 6.2569 6.2569 6.3859 6.3859 6.5845 6.5845 9.9040 9.9040 10.7082 10.7082 11.8995 11.8995 12.8050 12.8050 12.8796 12.8796 k =-0.5000 0.1788 0.1836 ( 3582 PWs) bands (ev): -31.4078 -31.4078 -31.4040 -31.4040 -12.6841 -12.6841 -12.6702 -12.6702 -12.3197 -12.3197 -12.3176 -12.3176 -12.2847 -12.2847 -12.2619 -12.2619 3.6104 3.6104 4.0781 4.0781 4.2794 4.2794 4.2921 4.2921 4.3478 4.3478 5.4192 5.4192 5.4640 5.4640 5.8615 5.8615 6.0593 6.0593 6.2412 6.2412 6.3831 6.3831 6.5858 6.5858 10.0425 10.0425 10.7738 10.7738 11.8820 11.8820 12.8002 12.8002 12.8617 12.8617 k =-0.5000 0.1788 0.1652 ( 3582 PWs) bands (ev): -31.4078 -31.4078 -31.4040 -31.4040 -12.6838 -12.6838 -12.6696 -12.6696 -12.3186 -12.3186 -12.3167 -12.3167 -12.2861 -12.2861 -12.2621 -12.2621 3.5857 3.5857 4.0849 4.0849 4.2742 4.2742 4.2868 4.2868 4.3354 4.3354 5.4103 5.4103 5.4615 5.4615 5.8569 5.8569 6.0584 6.0584 6.2241 6.2241 6.3846 6.3846 6.5879 6.5879 10.1764 10.1764 10.8356 10.8356 11.8670 11.8670 12.7551 12.7551 12.8674 12.8674 k =-0.5000 0.1788 0.1469 ( 3584 PWs) bands (ev): -31.4079 -31.4079 -31.4039 -31.4039 -12.6835 -12.6835 -12.6690 -12.6690 -12.3177 -12.3177 -12.3157 -12.3157 -12.2874 -12.2874 -12.2623 -12.2623 3.5630 3.5630 4.0922 4.0922 4.2688 4.2688 4.2818 4.2818 4.3243 4.3243 5.4012 5.4012 5.4593 5.4593 5.8527 5.8527 6.0571 6.0571 6.2074 6.2074 6.3885 6.3885 6.5904 6.5904 10.3040 10.3040 10.8941 10.8941 11.8543 11.8543 12.6973 12.6973 12.8606 12.8606 k =-0.5000 0.1788 0.1285 ( 3594 PWs) bands (ev): -31.4079 -31.4079 -31.4039 -31.4039 -12.6833 -12.6833 -12.6686 -12.6686 -12.3170 -12.3170 -12.3146 -12.3146 -12.2888 -12.2888 -12.2625 -12.2625 3.5427 3.5427 4.0999 4.0999 4.2630 4.2630 4.2773 4.2773 4.3144 4.3144 5.3922 5.3922 5.4575 5.4575 5.8489 5.8489 6.0555 6.0555 6.1921 6.1921 6.3937 6.3937 6.5930 6.5930 10.4230 10.4230 10.9504 10.9504 11.8441 11.8441 12.6337 12.6337 12.8416 12.8416 k =-0.5000 0.1788 0.1102 ( 3590 PWs) bands (ev): -31.4080 -31.4080 -31.4039 -31.4039 -12.6830 -12.6830 -12.6681 -12.6681 -12.3163 -12.3163 -12.3134 -12.3134 -12.2900 -12.2900 -12.2626 -12.2626 3.5248 3.5248 4.1079 4.1079 4.2566 4.2566 4.2735 4.2735 4.3060 4.3060 5.3837 5.3837 5.4561 5.4561 5.8455 5.8455 6.0537 6.0537 6.1787 6.1787 6.3992 6.3992 6.5955 6.5955 10.5307 10.5307 11.0055 11.0055 11.8362 11.8362 12.5670 12.5670 12.8201 12.8201 k =-0.5000 0.1788 0.0918 ( 3590 PWs) bands (ev): -31.4080 -31.4080 -31.4039 -31.4039 -12.6828 -12.6828 -12.6678 -12.6678 -12.3158 -12.3158 -12.3122 -12.3122 -12.2913 -12.2913 -12.2627 -12.2627 3.5095 3.5095 4.1160 4.1160 4.2498 4.2498 4.2702 4.2702 4.2989 4.2989 5.3758 5.3758 5.4549 5.4549 5.8426 5.8426 6.0519 6.0519 6.1675 6.1675 6.4046 6.4046 6.5978 6.5978 10.6240 10.6240 11.0606 11.0606 11.8305 11.8305 12.4996 12.4996 12.7999 12.7999 k =-0.5000 0.1788 0.0734 ( 3594 PWs) bands (ev): -31.4081 -31.4081 -31.4039 -31.4039 -12.6826 -12.6826 -12.6675 -12.6675 -12.3155 -12.3155 -12.3111 -12.3111 -12.2924 -12.2924 -12.2628 -12.2628 3.4969 3.4969 4.1239 4.1239 4.2429 4.2429 4.2676 4.2676 4.2933 4.2933 5.3690 5.3690 5.4539 5.4539 5.8402 5.8402 6.0503 6.0503 6.1584 6.1584 6.4095 6.4095 6.5997 6.5997 10.7002 10.7002 11.1156 11.1156 11.8266 11.8266 12.4343 12.4343 12.7823 12.7823 k =-0.5000 0.1788 0.0551 ( 3596 PWs) bands (ev): -31.4081 -31.4081 -31.4039 -31.4039 -12.6825 -12.6825 -12.6672 -12.6672 -12.3152 -12.3152 -12.3101 -12.3101 -12.2935 -12.2935 -12.2629 -12.2629 3.4870 3.4870 4.1313 4.1313 4.2362 4.2362 4.2656 4.2656 4.2890 4.2890 5.3634 5.3634 5.4533 5.4533 5.8383 5.8383 6.0489 6.0489 6.1514 6.1514 6.4135 6.4135 6.6013 6.6013 10.7579 10.7579 11.1683 11.1683 11.8243 11.8243 12.3748 12.3748 12.7680 12.7680 k =-0.5000 0.1788 0.0367 ( 3600 PWs) bands (ev): -31.4081 -31.4081 -31.4039 -31.4039 -12.6824 -12.6824 -12.6671 -12.6671 -12.3150 -12.3150 -12.3093 -12.3093 -12.2943 -12.2943 -12.2629 -12.2629 3.4798 3.4798 4.1374 4.1374 4.2304 4.2304 4.2642 4.2642 4.2860 4.2860 5.3593 5.3593 5.4528 5.4528 5.8370 5.8370 6.0479 6.0479 6.1465 6.1465 6.4165 6.4165 6.6024 6.6024 10.7973 10.7973 11.2137 11.2137 11.8232 11.8232 12.3260 12.3260 12.7575 12.7575 k =-0.5000 0.1788 0.0184 ( 3606 PWs) bands (ev): -31.4081 -31.4081 -31.4039 -31.4039 -12.6823 -12.6823 -12.6670 -12.6670 -12.3149 -12.3149 -12.3088 -12.3088 -12.2949 -12.2949 -12.2630 -12.2630 3.4756 3.4756 4.1416 4.1416 4.2265 4.2265 4.2634 4.2634 4.2842 4.2842 5.3568 5.3568 5.4525 5.4525 5.8362 5.8362 6.0472 6.0472 6.1435 6.1435 6.4184 6.4184 6.6031 6.6031 10.8201 10.8201 11.2451 11.2451 11.8227 11.8227 12.2933 12.2933 12.7511 12.7511 k =-0.5000 0.1788 0.0000 ( 3610 PWs) bands (ev): -31.4081 -31.4081 -31.4039 -31.4039 -12.6823 -12.6823 -12.6670 -12.6670 -12.3149 -12.3149 -12.3086 -12.3086 -12.2951 -12.2951 -12.2630 -12.2630 3.4741 3.4741 4.1431 4.1431 4.2250 4.2250 4.2631 4.2631 4.2836 4.2836 5.3559 5.3559 5.4524 5.4524 5.8359 5.8359 6.0470 6.0470 6.1426 6.1426 6.4190 6.4190 6.6034 6.6034 10.8274 10.8274 11.2564 11.2564 11.8226 11.8226 12.2818 12.2818 12.7490 12.7490 k = 0.0000 0.0000 0.6426 ( 3546 PWs) bands (ev): -31.4054 -31.4054 -31.4054 -31.4054 -12.6793 -12.6793 -12.6793 -12.6793 -12.3181 -12.3181 -12.3181 -12.3181 -12.2841 -12.2841 -12.2841 -12.2841 4.0942 4.0942 4.0942 4.0942 4.3962 4.3962 4.3962 4.3962 4.8436 4.8436 4.8436 4.8436 5.6132 5.6132 5.6132 5.6132 6.2539 6.2539 6.2539 6.2539 6.6679 6.6679 6.6679 6.6679 10.1998 10.1998 10.1998 10.1998 11.4409 11.4409 11.4409 11.4409 11.9732 11.9732 k =-0.0172 0.0062 0.6426 ( 3546 PWs) bands (ev): -31.4054 -31.4054 -31.4054 -31.4054 -12.6793 -12.6793 -12.6793 -12.6793 -12.3182 -12.3182 -12.3182 -12.3182 -12.2840 -12.2840 -12.2840 -12.2840 4.0942 4.0942 4.0942 4.0942 4.3962 4.3962 4.3962 4.3962 4.8445 4.8445 4.8445 4.8445 5.6133 5.6133 5.6133 5.6133 6.2538 6.2538 6.2538 6.2538 6.6681 6.6681 6.6681 6.6681 10.1908 10.1908 10.1908 10.1908 11.4474 11.4474 11.4474 11.4474 11.9748 11.9748 k =-0.0345 0.0123 0.6426 ( 3554 PWs) bands (ev): -31.4054 -31.4054 -31.4054 -31.4054 -12.6795 -12.6795 -12.6795 -12.6795 -12.3184 -12.3184 -12.3184 -12.3184 -12.2837 -12.2837 -12.2837 -12.2837 4.0942 4.0942 4.0942 4.0942 4.3960 4.3960 4.3960 4.3960 4.8475 4.8475 4.8475 4.8475 5.6134 5.6134 5.6134 5.6134 6.2536 6.2536 6.2536 6.2536 6.6687 6.6687 6.6687 6.6687 10.1644 10.1644 10.1644 10.1644 11.4665 11.4665 11.4665 11.4665 11.9797 11.9797 k =-0.0517 0.0185 0.6426 ( 3558 PWs) bands (ev): -31.4054 -31.4054 -31.4054 -31.4054 -12.6796 -12.6796 -12.6796 -12.6796 -12.3189 -12.3189 -12.3189 -12.3189 -12.2832 -12.2832 -12.2832 -12.2832 4.0943 4.0943 4.0943 4.0943 4.3956 4.3956 4.3956 4.3956 4.8523 4.8523 4.8523 4.8523 5.6138 5.6138 5.6138 5.6138 6.2533 6.2533 6.2533 6.2533 6.6696 6.6696 6.6696 6.6696 10.1224 10.1224 10.1224 10.1224 11.4965 11.4965 11.4965 11.4965 11.9877 11.9877 k =-0.0690 0.0247 0.6426 ( 3562 PWs) bands (ev): -31.4054 -31.4054 -31.4054 -31.4054 -12.6798 -12.6798 -12.6798 -12.6798 -12.3194 -12.3194 -12.3194 -12.3194 -12.2826 -12.2826 -12.2826 -12.2826 4.0944 4.0944 4.0944 4.0944 4.3952 4.3952 4.3952 4.3952 4.8590 4.8590 4.8590 4.8590 5.6142 5.6142 5.6142 5.6142 6.2529 6.2529 6.2529 6.2529 6.6710 6.6710 6.6710 6.6710 10.0669 10.0669 10.0669 10.0669 11.5352 11.5352 11.5352 11.5352 11.9988 11.9988 k =-0.0862 0.0308 0.6426 ( 3562 PWs) bands (ev): -31.4054 -31.4054 -31.4054 -31.4054 -12.6800 -12.6800 -12.6800 -12.6800 -12.3201 -12.3201 -12.3201 -12.3201 -12.2818 -12.2818 -12.2818 -12.2818 4.0945 4.0945 4.0945 4.0945 4.3946 4.3946 4.3946 4.3946 4.8676 4.8676 4.8676 4.8676 5.6148 5.6148 5.6148 5.6148 6.2523 6.2523 6.2523 6.2523 6.6727 6.6727 6.6727 6.6727 10.0005 10.0005 10.0005 10.0005 11.5805 11.5805 11.5805 11.5805 12.0131 12.0131 k =-0.1034 0.0370 0.6426 ( 3554 PWs) bands (ev): -31.4054 -31.4054 -31.4054 -31.4054 -12.6803 -12.6803 -12.6803 -12.6803 -12.3208 -12.3208 -12.3208 -12.3208 -12.2809 -12.2809 -12.2809 -12.2809 4.0947 4.0947 4.0947 4.0947 4.3939 4.3939 4.3939 4.3939 4.8779 4.8779 4.8779 4.8779 5.6156 5.6156 5.6156 5.6156 6.2517 6.2517 6.2517 6.2517 6.6749 6.6749 6.6749 6.6749 9.9254 9.9254 9.9254 9.9254 11.6304 11.6304 11.6304 11.6304 12.0305 12.0305 k =-0.1207 0.0432 0.6426 ( 3548 PWs) bands (ev): -31.4054 -31.4054 -31.4054 -31.4054 -12.6806 -12.6806 -12.6806 -12.6806 -12.3216 -12.3216 -12.3216 -12.3216 -12.2799 -12.2799 -12.2799 -12.2799 4.0948 4.0948 4.0948 4.0948 4.3931 4.3931 4.3931 4.3931 4.8898 4.8898 4.8898 4.8898 5.6166 5.6166 5.6166 5.6166 6.2511 6.2511 6.2511 6.2511 6.6775 6.6775 6.6775 6.6775 9.8434 9.8434 9.8434 9.8434 11.6831 11.6831 11.6831 11.6831 12.0508 12.0508 k =-0.1379 0.0493 0.6426 ( 3554 PWs) bands (ev): -31.4053 -31.4053 -31.4053 -31.4053 -12.6810 -12.6810 -12.6810 -12.6810 -12.3225 -12.3225 -12.3225 -12.3225 -12.2788 -12.2788 -12.2788 -12.2788 4.0950 4.0950 4.0950 4.0950 4.3922 4.3922 4.3922 4.3922 4.9032 4.9032 4.9032 4.9032 5.6178 5.6178 5.6178 5.6178 6.2505 6.2505 6.2505 6.2505 6.6806 6.6806 6.6806 6.6806 9.7563 9.7563 9.7563 9.7563 11.7375 11.7375 11.7375 11.7375 12.0740 12.0740 k =-0.1552 0.0555 0.6426 ( 3556 PWs) bands (ev): -31.4053 -31.4053 -31.4053 -31.4053 -12.6814 -12.6814 -12.6814 -12.6814 -12.3235 -12.3235 -12.3235 -12.3235 -12.2777 -12.2777 -12.2777 -12.2777 4.0952 4.0952 4.0952 4.0952 4.3912 4.3912 4.3912 4.3912 4.9179 4.9179 4.9179 4.9179 5.6193 5.6193 5.6193 5.6193 6.2498 6.2498 6.2498 6.2498 6.6842 6.6842 6.6842 6.6842 9.6654 9.6654 9.6654 9.6654 11.7924 11.7924 11.7924 11.7924 12.0999 12.0999 k =-0.1724 0.0617 0.6426 ( 3564 PWs) bands (ev): -31.4053 -31.4053 -31.4053 -31.4053 -12.6818 -12.6818 -12.6818 -12.6818 -12.3245 -12.3245 -12.3245 -12.3245 -12.2766 -12.2766 -12.2766 -12.2766 4.0954 4.0954 4.0954 4.0954 4.3901 4.3901 4.3901 4.3901 4.9339 4.9339 4.9339 4.9339 5.6211 5.6211 5.6211 5.6211 6.2492 6.2492 6.2492 6.2492 6.6884 6.6884 6.6884 6.6884 9.5718 9.5718 9.5718 9.5718 11.8473 11.8473 11.8473 11.8473 12.1284 12.1284 k =-0.1897 0.0678 0.6426 ( 3560 PWs) bands (ev): -31.4053 -31.4053 -31.4053 -31.4053 -12.6822 -12.6822 -12.6822 -12.6822 -12.3254 -12.3254 -12.3254 -12.3254 -12.2754 -12.2754 -12.2754 -12.2754 4.0957 4.0957 4.0957 4.0957 4.3889 4.3889 4.3889 4.3889 4.9509 4.9509 4.9509 4.9509 5.6233 5.6233 5.6233 5.6233 6.2487 6.2487 6.2487 6.2487 6.6931 6.6931 6.6931 6.6931 9.4764 9.4764 9.4764 9.4764 11.9015 11.9015 11.9015 11.9015 12.1592 12.1592 k =-0.2069 0.0740 0.6426 ( 3564 PWs) bands (ev): -31.4053 -31.4053 -31.4053 -31.4053 -12.6827 -12.6827 -12.6827 -12.6827 -12.3263 -12.3263 -12.3263 -12.3263 -12.2742 -12.2742 -12.2742 -12.2742 4.0959 4.0959 4.0959 4.0959 4.3876 4.3876 4.3876 4.3876 4.9686 4.9686 4.9686 4.9686 5.6258 5.6258 5.6258 5.6258 6.2483 6.2483 6.2483 6.2483 6.6985 6.6985 6.6985 6.6985 9.3802 9.3802 9.3802 9.3802 11.9546 11.9546 11.9546 11.9546 12.1922 12.1922 k =-0.2241 0.0802 0.6426 ( 3564 PWs) bands (ev): -31.4053 -31.4053 -31.4053 -31.4053 -12.6832 -12.6832 -12.6832 -12.6832 -12.3273 -12.3273 -12.3273 -12.3273 -12.2730 -12.2730 -12.2730 -12.2730 4.0961 4.0961 4.0961 4.0961 4.3863 4.3863 4.3863 4.3863 4.9869 4.9869 4.9869 4.9869 5.6287 5.6287 5.6287 5.6287 6.2481 6.2481 6.2481 6.2481 6.7045 6.7045 6.7045 6.7045 9.2837 9.2837 9.2837 9.2837 12.0065 12.0065 12.0065 12.0065 12.2269 12.2269 k =-0.2414 0.0863 0.6426 ( 3560 PWs) bands (ev): -31.4053 -31.4053 -31.4053 -31.4053 -12.6837 -12.6837 -12.6837 -12.6837 -12.3282 -12.3282 -12.3282 -12.3282 -12.2718 -12.2718 -12.2718 -12.2718 4.0964 4.0964 4.0964 4.0964 4.3850 4.3850 4.3850 4.3850 5.0056 5.0056 5.0056 5.0056 5.6320 5.6320 5.6320 5.6320 6.2480 6.2480 6.2480 6.2480 6.7112 6.7112 6.7112 6.7112 9.1879 9.1879 9.1879 9.1879 12.0570 12.0570 12.0570 12.0570 12.2631 12.2631 k =-0.2586 0.0925 0.6426 ( 3560 PWs) bands (ev): -31.4053 -31.4053 -31.4053 -31.4053 -12.6842 -12.6842 -12.6842 -12.6842 -12.3290 -12.3290 -12.3290 -12.3290 -12.2707 -12.2707 -12.2707 -12.2707 4.0966 4.0966 4.0966 4.0966 4.3837 4.3837 4.3837 4.3837 5.0243 5.0243 5.0243 5.0243 5.6357 5.6357 5.6357 5.6357 6.2482 6.2482 6.2482 6.2482 6.7186 6.7186 6.7186 6.7186 9.0932 9.0932 9.0932 9.0932 12.1059 12.1059 12.1059 12.1059 12.3003 12.3003 k =-0.2759 0.0987 0.6426 ( 3562 PWs) bands (ev): -31.4053 -31.4053 -31.4053 -31.4053 -12.6847 -12.6847 -12.6847 -12.6847 -12.3299 -12.3299 -12.3299 -12.3299 -12.2696 -12.2696 -12.2696 -12.2696 4.0968 4.0968 4.0968 4.0968 4.3823 4.3823 4.3823 4.3823 5.0428 5.0428 5.0428 5.0428 5.6399 5.6399 5.6399 5.6399 6.2486 6.2486 6.2486 6.2486 6.7268 6.7268 6.7268 6.7268 9.0003 9.0003 9.0003 9.0003 12.1533 12.1533 12.1533 12.1533 12.3379 12.3379 k =-0.2931 0.1048 0.6426 ( 3556 PWs) bands (ev): -31.4053 -31.4053 -31.4053 -31.4053 -12.6851 -12.6851 -12.6851 -12.6851 -12.3306 -12.3306 -12.3306 -12.3306 -12.2686 -12.2686 -12.2686 -12.2686 4.0970 4.0970 4.0970 4.0970 4.3810 4.3810 4.3810 4.3810 5.0609 5.0609 5.0609 5.0609 5.6445 5.6445 5.6445 5.6445 6.2492 6.2492 6.2492 6.2492 6.7357 6.7357 6.7357 6.7357 8.9098 8.9098 8.9098 8.9098 12.1990 12.1990 12.1990 12.1990 12.3755 12.3755 k =-0.3103 0.1110 0.6426 ( 3552 PWs) bands (ev): -31.4053 -31.4053 -31.4053 -31.4053 -12.6856 -12.6856 -12.6856 -12.6856 -12.3314 -12.3314 -12.3314 -12.3314 -12.2676 -12.2676 -12.2676 -12.2676 4.0973 4.0973 4.0973 4.0973 4.3797 4.3797 4.3797 4.3797 5.0784 5.0784 5.0784 5.0784 5.6494 5.6494 5.6494 5.6494 6.2500 6.2500 6.2500 6.2500 6.7453 6.7453 6.7453 6.7453 8.8224 8.8224 8.8224 8.8224 12.2431 12.2431 12.2431 12.2431 12.4125 12.4125 k =-0.3276 0.1172 0.6426 ( 3556 PWs) bands (ev): -31.4053 -31.4053 -31.4053 -31.4053 -12.6861 -12.6861 -12.6861 -12.6861 -12.3321 -12.3321 -12.3321 -12.3321 -12.2667 -12.2667 -12.2667 -12.2667 4.0975 4.0975 4.0975 4.0975 4.3784 4.3784 4.3784 4.3784 5.0949 5.0949 5.0949 5.0949 5.6546 5.6546 5.6546 5.6546 6.2510 6.2510 6.2510 6.2510 6.7556 6.7556 6.7556 6.7556 8.7387 8.7387 8.7387 8.7387 12.2853 12.2853 12.2853 12.2853 12.4485 12.4485 k =-0.3448 0.1233 0.6426 ( 3550 PWs) bands (ev): -31.4052 -31.4052 -31.4052 -31.4052 -12.6865 -12.6865 -12.6865 -12.6865 -12.3327 -12.3327 -12.3327 -12.3327 -12.2658 -12.2658 -12.2658 -12.2658 4.0977 4.0977 4.0977 4.0977 4.3773 4.3773 4.3773 4.3773 5.1103 5.1103 5.1103 5.1103 5.6599 5.6599 5.6599 5.6599 6.2522 6.2522 6.2522 6.2522 6.7665 6.7665 6.7665 6.7665 8.6594 8.6594 8.6594 8.6594 12.3255 12.3255 12.3255 12.3255 12.4828 12.4828 k =-0.3621 0.1295 0.6426 ( 3550 PWs) bands (ev): -31.4052 -31.4052 -31.4052 -31.4052 -12.6869 -12.6869 -12.6869 -12.6869 -12.3332 -12.3332 -12.3332 -12.3332 -12.2651 -12.2651 -12.2651 -12.2651 4.0978 4.0978 4.0978 4.0978 4.3761 4.3761 4.3761 4.3761 5.1244 5.1244 5.1244 5.1244 5.6653 5.6653 5.6653 5.6653 6.2536 6.2536 6.2536 6.2536 6.7777 6.7777 6.7777 6.7777 8.5851 8.5851 8.5851 8.5851 12.3633 12.3633 12.3633 12.3633 12.5149 12.5149 k =-0.3793 0.1357 0.6426 ( 3546 PWs) bands (ev): -31.4052 -31.4052 -31.4052 -31.4052 -12.6872 -12.6872 -12.6872 -12.6872 -12.3337 -12.3337 -12.3337 -12.3337 -12.2644 -12.2644 -12.2644 -12.2644 4.0980 4.0980 4.0980 4.0980 4.3751 4.3751 4.3751 4.3751 5.1370 5.1370 5.1370 5.1370 5.6706 5.6706 5.6706 5.6706 6.2550 6.2550 6.2550 6.2550 6.7890 6.7890 6.7890 6.7890 8.5168 8.5168 8.5168 8.5168 12.3985 12.3985 12.3985 12.3985 12.5445 12.5445 k =-0.3966 0.1418 0.6426 ( 3558 PWs) bands (ev): -31.4052 -31.4052 -31.4052 -31.4052 -12.6876 -12.6876 -12.6876 -12.6876 -12.3342 -12.3342 -12.3342 -12.3342 -12.2638 -12.2638 -12.2638 -12.2638 4.0981 4.0981 4.0981 4.0981 4.3742 4.3742 4.3742 4.3742 5.1481 5.1481 5.1481 5.1481 5.6757 5.6757 5.6757 5.6757 6.2564 6.2564 6.2564 6.2564 6.8002 6.8002 6.8002 6.8002 8.4551 8.4551 8.4551 8.4551 12.4306 12.4306 12.4306 12.4306 12.5709 12.5709 k =-0.4138 0.1480 0.6426 ( 3562 PWs) bands (ev): -31.4052 -31.4052 -31.4052 -31.4052 -12.6878 -12.6878 -12.6878 -12.6878 -12.3346 -12.3346 -12.3346 -12.3346 -12.2633 -12.2633 -12.2633 -12.2633 4.0982 4.0982 4.0982 4.0982 4.3734 4.3734 4.3734 4.3734 5.1576 5.1576 5.1576 5.1576 5.6803 5.6803 5.6803 5.6803 6.2578 6.2578 6.2578 6.2578 6.8109 6.8109 6.8109 6.8109 8.4009 8.4009 8.4009 8.4009 12.4592 12.4592 12.4592 12.4592 12.5939 12.5939 k =-0.4310 0.1542 0.6426 ( 3562 PWs) bands (ev): -31.4052 -31.4052 -31.4052 -31.4052 -12.6881 -12.6881 -12.6881 -12.6881 -12.3349 -12.3349 -12.3349 -12.3349 -12.2629 -12.2629 -12.2629 -12.2629 4.0983 4.0983 4.0983 4.0983 4.3728 4.3728 4.3728 4.3728 5.1654 5.1654 5.1654 5.1654 5.6844 5.6844 5.6844 5.6844 6.2591 6.2591 6.2591 6.2591 6.8205 6.8205 6.8205 6.8205 8.3550 8.3550 8.3550 8.3550 12.4836 12.4836 12.4836 12.4836 12.6130 12.6130 k =-0.4483 0.1603 0.6426 ( 3562 PWs) bands (ev): -31.4052 -31.4052 -31.4052 -31.4052 -12.6883 -12.6883 -12.6883 -12.6883 -12.3351 -12.3351 -12.3351 -12.3351 -12.2625 -12.2625 -12.2625 -12.2625 4.0984 4.0984 4.0984 4.0984 4.3723 4.3723 4.3723 4.3723 5.1715 5.1715 5.1715 5.1715 5.6877 5.6877 5.6877 5.6877 6.2601 6.2601 6.2601 6.2601 6.8287 6.8287 6.8287 6.8287 8.3183 8.3183 8.3183 8.3183 12.5034 12.5034 12.5034 12.5034 12.6282 12.6282 k =-0.4655 0.1665 0.6426 ( 3566 PWs) bands (ev): -31.4052 -31.4052 -31.4052 -31.4052 -12.6884 -12.6884 -12.6884 -12.6884 -12.3353 -12.3353 -12.3353 -12.3353 -12.2623 -12.2623 -12.2623 -12.2623 4.0985 4.0985 4.0985 4.0985 4.3719 4.3719 4.3719 4.3719 5.1758 5.1758 5.1758 5.1758 5.6901 5.6901 5.6901 5.6901 6.2610 6.2610 6.2610 6.2610 6.8350 6.8350 6.8350 6.8350 8.2914 8.2914 8.2914 8.2914 12.5180 12.5180 12.5180 12.5180 12.6390 12.6390 k =-0.4828 0.1727 0.6426 ( 3572 PWs) bands (ev): -31.4052 -31.4052 -31.4052 -31.4052 -12.6885 -12.6885 -12.6885 -12.6885 -12.3354 -12.3354 -12.3354 -12.3354 -12.2622 -12.2622 -12.2622 -12.2622 4.0985 4.0985 4.0985 4.0985 4.3717 4.3717 4.3717 4.3717 5.1784 5.1784 5.1784 5.1784 5.6917 5.6917 5.6917 5.6917 6.2615 6.2615 6.2615 6.2615 6.8389 6.8389 6.8389 6.8389 8.2751 8.2751 8.2751 8.2751 12.5270 12.5270 12.5270 12.5270 12.6456 12.6456 k =-0.5000 0.1788 0.6426 ( 3568 PWs) bands (ev): -31.4052 -31.4052 -31.4052 -31.4052 -12.6885 -12.6885 -12.6885 -12.6885 -12.3354 -12.3354 -12.3354 -12.3354 -12.2621 -12.2621 -12.2621 -12.2621 4.0985 4.0985 4.0985 4.0985 4.3716 4.3716 4.3716 4.3716 5.1793 5.1793 5.1793 5.1793 5.6922 5.6922 5.6922 5.6922 6.2616 6.2616 6.2616 6.2616 6.8402 6.8402 6.8402 6.8402 8.2696 8.2696 8.2696 8.2696 12.5300 12.5300 12.5300 12.5300 12.6478 12.6478 Writing output data file CaAu.save init_run : 0.34s CPU 0.51s WALL ( 1 calls) electrons : 415.97s CPU 421.46s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 415.96s CPU 421.46s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 402 calls) cegterg : 396.24s CPU 400.99s WALL ( 1339 calls) Called by sum_band: Called by *egterg: h_psi : 210.65s CPU 213.79s WALL ( 24808 calls) s_psi : 11.14s CPU 11.24s WALL ( 24808 calls) g_psi : 0.48s CPU 0.47s WALL ( 23067 calls) cdiaghg : 153.33s CPU 155.05s WALL ( 23469 calls) cegterg:over : 11.89s CPU 11.91s WALL ( 23067 calls) cegterg:upda : 11.75s CPU 11.75s WALL ( 23067 calls) cegterg:last : 5.34s CPU 5.48s WALL ( 2989 calls) cdiaghg:chol : 8.58s CPU 8.43s WALL ( 23469 calls) cdiaghg:inve : 5.48s CPU 5.64s WALL ( 23469 calls) cdiaghg:para : 8.92s CPU 8.92s WALL ( 46938 calls) Called by h_psi: h_psi:vloc : 185.66s CPU 188.78s WALL ( 24808 calls) h_psi:vnl : 24.52s CPU 24.57s WALL ( 24808 calls) add_vuspsi : 12.90s CPU 12.89s WALL ( 24808 calls) General routines calbec : 11.54s CPU 11.62s WALL ( 24808 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 169.39s CPU 172.29s WALL ( 1718588 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.38s WALL ( 804 calls) Parallel routines fft_scatter : 50.60s CPU 51.93s WALL ( 1718611 calls) PWSCF : 7m14.04s CPU 7m32.50s WALL This run was terminated on: 13:38:18 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=