Program PWSCF v.5.1.1 starts on 27Aug2015 at 7:53:22 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./MoC.save/ file Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 18 11 3 358 169 29 Max 19 12 4 361 180 33 Sum 877 547 163 17261 8363 1459 bravais-lattice index = 14 lattice parameter (alat) = 6.2670 a.u. unit-cell volume = 174.0424 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.266957 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Mo read from file: /home/autes/Pseudo/Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 20113fa3d0a6ce27e798500ceb8a7ae4 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1229 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 C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mo 14.00 95.94000 Mo( 1.00) C 4.00 12.01070 C( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 446 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022422 k( 2) = ( 0.0074627 -0.0043086 0.0060933), wk = 0.0022422 k( 3) = ( 0.0149254 -0.0086172 0.0121865), wk = 0.0022422 k( 4) = ( 0.0223881 -0.0129258 0.0182798), wk = 0.0022422 k( 5) = ( 0.0298507 -0.0172343 0.0243730), wk = 0.0022422 k( 6) = ( 0.0373134 -0.0215429 0.0304663), wk = 0.0022422 k( 7) = ( 0.0447761 -0.0258515 0.0365595), wk = 0.0022422 k( 8) = ( 0.0522388 -0.0301601 0.0426528), wk = 0.0022422 k( 9) = ( 0.0597015 -0.0344687 0.0487461), wk = 0.0022422 k( 10) = ( 0.0671642 -0.0387773 0.0548393), wk = 0.0022422 k( 11) = ( 0.0746269 -0.0430858 0.0609326), wk = 0.0022422 k( 12) = ( 0.0820895 -0.0473944 0.0670258), wk = 0.0022422 k( 13) = ( 0.0895522 -0.0517030 0.0731191), wk = 0.0022422 k( 14) = ( 0.0970149 -0.0560116 0.0792124), wk = 0.0022422 k( 15) = ( 0.1044776 -0.0603202 0.0853056), wk = 0.0022422 k( 16) = ( 0.1119403 -0.0646288 0.0913989), wk = 0.0022422 k( 17) = ( 0.1194030 -0.0689373 0.0974921), wk = 0.0022422 k( 18) = ( 0.1268657 -0.0732459 0.1035854), wk = 0.0022422 k( 19) = ( 0.1343284 -0.0775545 0.1096786), wk = 0.0022422 k( 20) = ( 0.1417910 -0.0818631 0.1157719), wk = 0.0022422 k( 21) = ( 0.1492537 -0.0861717 0.1218652), wk = 0.0022422 k( 22) = ( 0.1567164 -0.0904803 0.1279584), wk = 0.0022422 k( 23) = ( 0.1641791 -0.0947888 0.1340517), wk = 0.0022422 k( 24) = ( 0.1716418 -0.0990974 0.1401449), wk = 0.0022422 k( 25) = ( 0.1791045 -0.1034060 0.1462382), wk = 0.0022422 k( 26) = ( 0.1865672 -0.1077146 0.1523314), wk = 0.0022422 k( 27) = ( 0.1940299 -0.1120232 0.1584247), wk = 0.0022422 k( 28) = ( 0.2014925 -0.1163318 0.1645180), wk = 0.0022422 k( 29) = ( 0.2089552 -0.1206404 0.1706112), wk = 0.0022422 k( 30) = ( 0.2164179 -0.1249489 0.1767045), wk = 0.0022422 k( 31) = ( 0.2238806 -0.1292575 0.1827977), wk = 0.0022422 k( 32) = ( 0.2313433 -0.1335661 0.1888910), wk = 0.0022422 k( 33) = ( 0.2388060 -0.1378747 0.1949843), wk = 0.0022422 k( 34) = ( 0.2462687 -0.1421833 0.2010775), wk = 0.0022422 k( 35) = ( 0.2537313 -0.1464919 0.2071708), wk = 0.0022422 k( 36) = ( 0.2611940 -0.1508004 0.2132640), wk = 0.0022422 k( 37) = ( 0.2686567 -0.1551090 0.2193573), wk = 0.0022422 k( 38) = ( 0.2761194 -0.1594176 0.2254505), wk = 0.0022422 k( 39) = ( 0.2835821 -0.1637262 0.2315438), wk = 0.0022422 k( 40) = ( 0.2910448 -0.1680348 0.2376371), wk = 0.0022422 k( 41) = ( 0.2985075 -0.1723434 0.2437303), wk = 0.0022422 k( 42) = ( 0.3059701 -0.1766519 0.2498236), wk = 0.0022422 k( 43) = ( 0.3134328 -0.1809605 0.2559168), wk = 0.0022422 k( 44) = ( 0.3208955 -0.1852691 0.2620101), wk = 0.0022422 k( 45) = ( 0.3283582 -0.1895777 0.2681034), wk = 0.0022422 k( 46) = ( 0.3358209 -0.1938863 0.2741966), wk = 0.0022422 k( 47) = ( 0.3432836 -0.1981949 0.2802899), wk = 0.0022422 k( 48) = ( 0.3507463 -0.2025035 0.2863831), wk = 0.0022422 k( 49) = ( 0.3582090 -0.2068120 0.2924764), wk = 0.0022422 k( 50) = ( 0.3656716 -0.2111206 0.2985696), wk = 0.0022422 k( 51) = ( 0.3731343 -0.2154292 0.3046629), wk = 0.0022422 k( 52) = ( 0.3805970 -0.2197378 0.3107562), wk = 0.0022422 k( 53) = ( 0.3880597 -0.2240464 0.3168494), wk = 0.0022422 k( 54) = ( 0.3955224 -0.2283550 0.3229427), wk = 0.0022422 k( 55) = ( 0.4029851 -0.2326635 0.3290359), wk = 0.0022422 k( 56) = ( 0.4104478 -0.2369721 0.3351292), wk = 0.0022422 k( 57) = ( 0.4179104 -0.2412807 0.3412225), wk = 0.0022422 k( 58) = ( 0.4253731 -0.2455893 0.3473157), wk = 0.0022422 k( 59) = ( 0.4328358 -0.2498979 0.3534090), wk = 0.0022422 k( 60) = ( 0.4402985 -0.2542065 0.3595022), wk = 0.0022422 k( 61) = ( 0.4477612 -0.2585150 0.3655955), wk = 0.0022422 k( 62) = ( 0.4552239 -0.2628236 0.3716887), wk = 0.0022422 k( 63) = ( 0.4626866 -0.2671322 0.3777820), wk = 0.0022422 k( 64) = ( 0.4701493 -0.2714408 0.3838753), wk = 0.0022422 k( 65) = ( 0.4776119 -0.2757494 0.3899685), wk = 0.0022422 k( 66) = ( 0.4850746 -0.2800580 0.3960618), wk = 0.0022422 k( 67) = ( 0.4925373 -0.2843665 0.4021550), wk = 0.0022422 k( 68) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0022422 k( 69) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0022422 k( 70) = ( 0.5000000 -0.2801847 0.4142519), wk = 0.0022422 k( 71) = ( 0.5000000 -0.2716942 0.4202556), wk = 0.0022422 k( 72) = ( 0.5000000 -0.2632038 0.4262592), wk = 0.0022422 k( 73) = ( 0.5000000 -0.2547134 0.4322629), wk = 0.0022422 k( 74) = ( 0.5000000 -0.2462229 0.4382666), wk = 0.0022422 k( 75) = ( 0.5000000 -0.2377325 0.4442702), wk = 0.0022422 k( 76) = ( 0.5000000 -0.2292420 0.4502739), wk = 0.0022422 k( 77) = ( 0.5000000 -0.2207516 0.4562775), wk = 0.0022422 k( 78) = ( 0.5000000 -0.2122611 0.4622812), wk = 0.0022422 k( 79) = ( 0.5000000 -0.2037707 0.4682848), wk = 0.0022422 k( 80) = ( 0.5000000 -0.1952802 0.4742885), wk = 0.0022422 k( 81) = ( 0.5000000 -0.1867898 0.4802921), wk = 0.0022422 k( 82) = ( 0.5000000 -0.1782993 0.4862958), wk = 0.0022422 k( 83) = ( 0.5000000 -0.1698089 0.4922994), wk = 0.0022422 k( 84) = ( 0.5000000 -0.1613185 0.4983031), wk = 0.0022422 k( 85) = ( 0.5000000 -0.1528280 0.5043067), wk = 0.0022422 k( 86) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0022422 k( 87) = ( 0.5000000 -0.1358471 0.5163140), wk = 0.0022422 k( 88) = ( 0.5000000 -0.1273567 0.5223177), wk = 0.0022422 k( 89) = ( 0.5000000 -0.1188662 0.5283213), wk = 0.0022422 k( 90) = ( 0.5000000 -0.1103758 0.5343250), wk = 0.0022422 k( 91) = ( 0.5000000 -0.1018853 0.5403286), wk = 0.0022422 k( 92) = ( 0.5000000 -0.0933949 0.5463323), wk = 0.0022422 k( 93) = ( 0.5000000 -0.0849044 0.5523359), wk = 0.0022422 k( 94) = ( 0.5000000 -0.0764140 0.5583396), wk = 0.0022422 k( 95) = ( 0.5000000 -0.0679236 0.5643432), wk = 0.0022422 k( 96) = ( 0.5000000 -0.0594331 0.5703469), wk = 0.0022422 k( 97) = ( 0.5000000 -0.0509427 0.5763505), wk = 0.0022422 k( 98) = ( 0.5000000 -0.0424522 0.5823542), wk = 0.0022422 k( 99) = ( 0.5000000 -0.0339618 0.5883578), wk = 0.0022422 k( 100) = ( 0.5000000 -0.0254713 0.5943615), wk = 0.0022422 k( 101) = ( 0.5000000 -0.0169809 0.6003651), wk = 0.0022422 k( 102) = ( 0.5000000 -0.0084904 0.6063688), wk = 0.0022422 k( 103) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0022422 k( 104) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0022422 k( 105) = ( 0.4947917 0.0090211 0.6123724), wk = 0.0022422 k( 106) = ( 0.4895833 0.0180422 0.6123724), wk = 0.0022422 k( 107) = ( 0.4843750 0.0270633 0.6123724), wk = 0.0022422 k( 108) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0022422 k( 109) = ( 0.4739583 0.0451055 0.6123724), wk = 0.0022422 k( 110) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0022422 k( 111) = ( 0.4635417 0.0631477 0.6123724), wk = 0.0022422 k( 112) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0022422 k( 113) = ( 0.4531250 0.0811899 0.6123724), wk = 0.0022422 k( 114) = ( 0.4479167 0.0902110 0.6123724), wk = 0.0022422 k( 115) = ( 0.4427083 0.0992321 0.6123724), wk = 0.0022422 k( 116) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0022422 k( 117) = ( 0.4322917 0.1172743 0.6123724), wk = 0.0022422 k( 118) = ( 0.4270833 0.1262954 0.6123724), wk = 0.0022422 k( 119) = ( 0.4218750 0.1353165 0.6123724), wk = 0.0022422 k( 120) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0022422 k( 121) = ( 0.4114583 0.1533587 0.6123724), wk = 0.0022422 k( 122) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0022422 k( 123) = ( 0.4010417 0.1714009 0.6123724), wk = 0.0022422 k( 124) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0022422 k( 125) = ( 0.3906250 0.1894431 0.6123724), wk = 0.0022422 k( 126) = ( 0.3854167 0.1984641 0.6123724), wk = 0.0022422 k( 127) = ( 0.3802083 0.2074853 0.6123724), wk = 0.0022422 k( 128) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0022422 k( 129) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0022422 k( 130) = ( 0.3697917 0.2134993 0.6038673), wk = 0.0022422 k( 131) = ( 0.3645833 0.2104923 0.5953621), wk = 0.0022422 k( 132) = ( 0.3593750 0.2074853 0.5868569), wk = 0.0022422 k( 133) = ( 0.3541667 0.2044782 0.5783517), wk = 0.0022422 k( 134) = ( 0.3489583 0.2014712 0.5698466), wk = 0.0022422 k( 135) = ( 0.3437500 0.1984642 0.5613414), wk = 0.0022422 k( 136) = ( 0.3385417 0.1954571 0.5528362), wk = 0.0022422 k( 137) = ( 0.3333333 0.1924501 0.5443311), wk = 0.0022422 k( 138) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0022422 k( 139) = ( 0.3229167 0.1864360 0.5273207), wk = 0.0022422 k( 140) = ( 0.3177083 0.1834290 0.5188155), wk = 0.0022422 k( 141) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0022422 k( 142) = ( 0.3072917 0.1774149 0.5018052), wk = 0.0022422 k( 143) = ( 0.3020833 0.1744079 0.4933000), wk = 0.0022422 k( 144) = ( 0.2968750 0.1714009 0.4847948), wk = 0.0022422 k( 145) = ( 0.2916667 0.1683938 0.4762897), wk = 0.0022422 k( 146) = ( 0.2864583 0.1653868 0.4677845), wk = 0.0022422 k( 147) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0022422 k( 148) = ( 0.2760417 0.1593727 0.4507741), wk = 0.0022422 k( 149) = ( 0.2708333 0.1563657 0.4422690), wk = 0.0022422 k( 150) = ( 0.2656250 0.1533587 0.4337638), wk = 0.0022422 k( 151) = ( 0.2604167 0.1503516 0.4252586), wk = 0.0022422 k( 152) = ( 0.2552083 0.1473446 0.4167535), wk = 0.0022422 k( 153) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0022422 k( 154) = ( 0.2447917 0.1413305 0.3997431), wk = 0.0022422 k( 155) = ( 0.2395833 0.1383235 0.3912380), wk = 0.0022422 k( 156) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0022422 k( 157) = ( 0.2291667 0.1323094 0.3742276), wk = 0.0022422 k( 158) = ( 0.2239583 0.1293024 0.3657224), wk = 0.0022422 k( 159) = ( 0.2187500 0.1262954 0.3572173), wk = 0.0022422 k( 160) = ( 0.2135417 0.1232883 0.3487121), wk = 0.0022422 k( 161) = ( 0.2083333 0.1202813 0.3402069), wk = 0.0022422 k( 162) = ( 0.2031250 0.1172743 0.3317017), wk = 0.0022422 k( 163) = ( 0.1979167 0.1142672 0.3231966), wk = 0.0022422 k( 164) = ( 0.1927083 0.1112602 0.3146914), wk = 0.0022422 k( 165) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0022422 k( 166) = ( 0.1822917 0.1052461 0.2976810), wk = 0.0022422 k( 167) = ( 0.1770833 0.1022391 0.2891759), wk = 0.0022422 k( 168) = ( 0.1718750 0.0992321 0.2806707), wk = 0.0022422 k( 169) = ( 0.1666667 0.0962250 0.2721655), wk = 0.0022422 k( 170) = ( 0.1614583 0.0932180 0.2636604), wk = 0.0022422 k( 171) = ( 0.1562500 0.0902110 0.2551552), wk = 0.0022422 k( 172) = ( 0.1510417 0.0872039 0.2466500), wk = 0.0022422 k( 173) = ( 0.1458333 0.0841969 0.2381448), wk = 0.0022422 k( 174) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0022422 k( 175) = ( 0.1354167 0.0781829 0.2211345), wk = 0.0022422 k( 176) = ( 0.1302083 0.0751758 0.2126293), wk = 0.0022422 k( 177) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0022422 k( 178) = ( 0.1197917 0.0691618 0.1956190), wk = 0.0022422 k( 179) = ( 0.1145833 0.0661547 0.1871138), wk = 0.0022422 k( 180) = ( 0.1093750 0.0631477 0.1786086), wk = 0.0022422 k( 181) = ( 0.1041667 0.0601407 0.1701034), wk = 0.0022422 k( 182) = ( 0.0989583 0.0571336 0.1615983), wk = 0.0022422 k( 183) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0022422 k( 184) = ( 0.0885417 0.0511196 0.1445879), wk = 0.0022422 k( 185) = ( 0.0833333 0.0481125 0.1360828), wk = 0.0022422 k( 186) = ( 0.0781250 0.0451055 0.1275776), wk = 0.0022422 k( 187) = ( 0.0729167 0.0420985 0.1190724), wk = 0.0022422 k( 188) = ( 0.0677083 0.0390914 0.1105673), wk = 0.0022422 k( 189) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0022422 k( 190) = ( 0.0572917 0.0330774 0.0935569), wk = 0.0022422 k( 191) = ( 0.0520833 0.0300703 0.0850517), wk = 0.0022422 k( 192) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0022422 k( 193) = ( 0.0416667 0.0240563 0.0680414), wk = 0.0022422 k( 194) = ( 0.0364583 0.0210492 0.0595362), wk = 0.0022422 k( 195) = ( 0.0312500 0.0180422 0.0510310), wk = 0.0022422 k( 196) = ( 0.0260417 0.0150352 0.0425259), wk = 0.0022422 k( 197) = ( 0.0208333 0.0120281 0.0340207), wk = 0.0022422 k( 198) = ( 0.0156250 0.0090211 0.0255155), wk = 0.0022422 k( 199) = ( 0.0104167 0.0060141 0.0170103), wk = 0.0022422 k( 200) = ( 0.0052083 0.0030070 0.0085052), wk = 0.0022422 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022422 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022422 k( 203) = ( 0.0084746 0.0048928 0.0034597), wk = 0.0022422 k( 204) = ( 0.0169491 0.0097856 0.0069195), wk = 0.0022422 k( 205) = ( 0.0254237 0.0146784 0.0103792), wk = 0.0022422 k( 206) = ( 0.0338983 0.0195712 0.0138389), wk = 0.0022422 k( 207) = ( 0.0423729 0.0244640 0.0172987), wk = 0.0022422 k( 208) = ( 0.0508475 0.0293568 0.0207584), wk = 0.0022422 k( 209) = ( 0.0593220 0.0342496 0.0242181), wk = 0.0022422 k( 210) = ( 0.0677966 0.0391424 0.0276779), wk = 0.0022422 k( 211) = ( 0.0762712 0.0440352 0.0311376), wk = 0.0022422 k( 212) = ( 0.0847458 0.0489280 0.0345973), wk = 0.0022422 k( 213) = ( 0.0932203 0.0538208 0.0380570), wk = 0.0022422 k( 214) = ( 0.1016949 0.0587136 0.0415168), wk = 0.0022422 k( 215) = ( 0.1101695 0.0636064 0.0449765), wk = 0.0022422 k( 216) = ( 0.1186441 0.0684992 0.0484362), wk = 0.0022422 k( 217) = ( 0.1271186 0.0733920 0.0518960), wk = 0.0022422 k( 218) = ( 0.1355932 0.0782848 0.0553557), wk = 0.0022422 k( 219) = ( 0.1440678 0.0831776 0.0588154), wk = 0.0022422 k( 220) = ( 0.1525424 0.0880704 0.0622752), wk = 0.0022422 k( 221) = ( 0.1610169 0.0929632 0.0657349), wk = 0.0022422 k( 222) = ( 0.1694915 0.0978560 0.0691946), wk = 0.0022422 k( 223) = ( 0.1779661 0.1027488 0.0726544), wk = 0.0022422 k( 224) = ( 0.1864407 0.1076416 0.0761141), wk = 0.0022422 k( 225) = ( 0.1949153 0.1125344 0.0795738), wk = 0.0022422 k( 226) = ( 0.2033898 0.1174272 0.0830336), wk = 0.0022422 k( 227) = ( 0.2118644 0.1223200 0.0864933), wk = 0.0022422 k( 228) = ( 0.2203390 0.1272128 0.0899530), wk = 0.0022422 k( 229) = ( 0.2288136 0.1321056 0.0934127), wk = 0.0022422 k( 230) = ( 0.2372881 0.1369984 0.0968725), wk = 0.0022422 k( 231) = ( 0.2457627 0.1418912 0.1003322), wk = 0.0022422 k( 232) = ( 0.2542373 0.1467840 0.1037919), wk = 0.0022422 k( 233) = ( 0.2627119 0.1516768 0.1072517), wk = 0.0022422 k( 234) = ( 0.2711864 0.1565696 0.1107114), wk = 0.0022422 k( 235) = ( 0.2796610 0.1614624 0.1141711), wk = 0.0022422 k( 236) = ( 0.2881356 0.1663552 0.1176309), wk = 0.0022422 k( 237) = ( 0.2966102 0.1712480 0.1210906), wk = 0.0022422 k( 238) = ( 0.3050848 0.1761408 0.1245503), wk = 0.0022422 k( 239) = ( 0.3135593 0.1810336 0.1280101), wk = 0.0022422 k( 240) = ( 0.3220339 0.1859264 0.1314698), wk = 0.0022422 k( 241) = ( 0.3305085 0.1908192 0.1349295), wk = 0.0022422 k( 242) = ( 0.3389831 0.1957120 0.1383893), wk = 0.0022422 k( 243) = ( 0.3474576 0.2006048 0.1418490), wk = 0.0022422 k( 244) = ( 0.3559322 0.2054976 0.1453087), wk = 0.0022422 k( 245) = ( 0.3644068 0.2103904 0.1487684), wk = 0.0022422 k( 246) = ( 0.3728814 0.2152832 0.1522282), wk = 0.0022422 k( 247) = ( 0.3813559 0.2201759 0.1556879), wk = 0.0022422 k( 248) = ( 0.3898305 0.2250687 0.1591476), wk = 0.0022422 k( 249) = ( 0.3983051 0.2299615 0.1626074), wk = 0.0022422 k( 250) = ( 0.4067797 0.2348543 0.1660671), wk = 0.0022422 k( 251) = ( 0.4152542 0.2397471 0.1695268), wk = 0.0022422 k( 252) = ( 0.4237288 0.2446399 0.1729866), wk = 0.0022422 k( 253) = ( 0.4322034 0.2495327 0.1764463), wk = 0.0022422 k( 254) = ( 0.4406780 0.2544255 0.1799060), wk = 0.0022422 k( 255) = ( 0.4491525 0.2593183 0.1833658), wk = 0.0022422 k( 256) = ( 0.4576271 0.2642111 0.1868255), wk = 0.0022422 k( 257) = ( 0.4661017 0.2691039 0.1902852), wk = 0.0022422 k( 258) = ( 0.4745763 0.2739967 0.1937450), wk = 0.0022422 k( 259) = ( 0.4830508 0.2788895 0.1972047), wk = 0.0022422 k( 260) = ( 0.4915254 0.2837823 0.2006644), wk = 0.0022422 k( 261) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022422 k( 262) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022422 k( 263) = ( 0.5029762 0.2800836 0.2089842), wk = 0.0022422 k( 264) = ( 0.5059524 0.2714921 0.2138443), wk = 0.0022422 k( 265) = ( 0.5089286 0.2629006 0.2187044), wk = 0.0022422 k( 266) = ( 0.5119048 0.2543091 0.2235645), wk = 0.0022422 k( 267) = ( 0.5148810 0.2457175 0.2284246), wk = 0.0022422 k( 268) = ( 0.5178571 0.2371260 0.2332847), wk = 0.0022422 k( 269) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0022422 k( 270) = ( 0.5238095 0.2199430 0.2430049), wk = 0.0022422 k( 271) = ( 0.5267857 0.2113514 0.2478650), wk = 0.0022422 k( 272) = ( 0.5297619 0.2027599 0.2527251), wk = 0.0022422 k( 273) = ( 0.5327381 0.1941684 0.2575852), wk = 0.0022422 k( 274) = ( 0.5357143 0.1855769 0.2624453), wk = 0.0022422 k( 275) = ( 0.5386905 0.1769854 0.2673054), wk = 0.0022422 k( 276) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0022422 k( 277) = ( 0.5446429 0.1598023 0.2770256), wk = 0.0022422 k( 278) = ( 0.5476190 0.1512108 0.2818857), wk = 0.0022422 k( 279) = ( 0.5505952 0.1426193 0.2867458), wk = 0.0022422 k( 280) = ( 0.5535714 0.1340277 0.2916059), wk = 0.0022422 k( 281) = ( 0.5565476 0.1254362 0.2964660), wk = 0.0022422 k( 282) = ( 0.5595238 0.1168447 0.3013261), wk = 0.0022422 k( 283) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0022422 k( 284) = ( 0.5654762 0.0996617 0.3110463), wk = 0.0022422 k( 285) = ( 0.5684524 0.0910701 0.3159064), wk = 0.0022422 k( 286) = ( 0.5714286 0.0824786 0.3207665), wk = 0.0022422 k( 287) = ( 0.5744048 0.0738871 0.3256266), wk = 0.0022422 k( 288) = ( 0.5773810 0.0652956 0.3304867), wk = 0.0022422 k( 289) = ( 0.5803571 0.0567040 0.3353468), wk = 0.0022422 k( 290) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0022422 k( 291) = ( 0.5863095 0.0395210 0.3450670), wk = 0.0022422 k( 292) = ( 0.5892857 0.0309295 0.3499271), wk = 0.0022422 k( 293) = ( 0.5922619 0.0223380 0.3547872), wk = 0.0022422 k( 294) = ( 0.5952381 0.0137464 0.3596473), wk = 0.0022422 k( 295) = ( 0.5982143 0.0051549 0.3645074), wk = 0.0022422 k( 296) = ( 0.6011905 -0.0034366 0.3693675), wk = 0.0022422 k( 297) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0022422 k( 298) = ( 0.6071429 -0.0206196 0.3790877), wk = 0.0022422 k( 299) = ( 0.6101190 -0.0292112 0.3839478), wk = 0.0022422 k( 300) = ( 0.6130952 -0.0378027 0.3888079), wk = 0.0022422 k( 301) = ( 0.6160714 -0.0463942 0.3936680), wk = 0.0022422 k( 302) = ( 0.6190476 -0.0549857 0.3985281), wk = 0.0022422 k( 303) = ( 0.6220238 -0.0635773 0.4033882), wk = 0.0022422 k( 304) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0022422 k( 305) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0022422 k( 306) = ( 0.6197917 -0.0691618 0.4167535), wk = 0.0022422 k( 307) = ( 0.6145833 -0.0661547 0.4252586), wk = 0.0022422 k( 308) = ( 0.6093750 -0.0631477 0.4337638), wk = 0.0022422 k( 309) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0022422 k( 310) = ( 0.5989583 -0.0571336 0.4507742), wk = 0.0022422 k( 311) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0022422 k( 312) = ( 0.5885417 -0.0511196 0.4677845), wk = 0.0022422 k( 313) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0022422 k( 314) = ( 0.5781250 -0.0451055 0.4847948), wk = 0.0022422 k( 315) = ( 0.5729167 -0.0420985 0.4933000), wk = 0.0022422 k( 316) = ( 0.5677083 -0.0390914 0.5018052), wk = 0.0022422 k( 317) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0022422 k( 318) = ( 0.5572917 -0.0330774 0.5188155), wk = 0.0022422 k( 319) = ( 0.5520833 -0.0300703 0.5273207), wk = 0.0022422 k( 320) = ( 0.5468750 -0.0270633 0.5358259), wk = 0.0022422 k( 321) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0022422 k( 322) = ( 0.5364583 -0.0210492 0.5528362), wk = 0.0022422 k( 323) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0022422 k( 324) = ( 0.5260417 -0.0150352 0.5698466), wk = 0.0022422 k( 325) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0022422 k( 326) = ( 0.5156250 -0.0090211 0.5868569), wk = 0.0022422 k( 327) = ( 0.5104167 -0.0060141 0.5953621), wk = 0.0022422 k( 328) = ( 0.5052083 -0.0030070 0.6038673), wk = 0.0022422 k( 329) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0022422 k( 330) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0022422 k( 331) = ( 0.5000000 0.0060141 0.6038673), wk = 0.0022422 k( 332) = ( 0.5000000 0.0120281 0.5953621), wk = 0.0022422 k( 333) = ( 0.5000000 0.0180422 0.5868569), wk = 0.0022422 k( 334) = ( 0.5000000 0.0240563 0.5783518), wk = 0.0022422 k( 335) = ( 0.5000000 0.0300703 0.5698466), wk = 0.0022422 k( 336) = ( 0.5000000 0.0360844 0.5613414), wk = 0.0022422 k( 337) = ( 0.5000000 0.0420985 0.5528362), wk = 0.0022422 k( 338) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0022422 k( 339) = ( 0.5000000 0.0541266 0.5358259), wk = 0.0022422 k( 340) = ( 0.5000000 0.0601406 0.5273207), wk = 0.0022422 k( 341) = ( 0.5000000 0.0661547 0.5188155), wk = 0.0022422 k( 342) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0022422 k( 343) = ( 0.5000000 0.0781828 0.5018052), wk = 0.0022422 k( 344) = ( 0.5000000 0.0841969 0.4933000), wk = 0.0022422 k( 345) = ( 0.5000000 0.0902110 0.4847948), wk = 0.0022422 k( 346) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0022422 k( 347) = ( 0.5000000 0.1022391 0.4677845), wk = 0.0022422 k( 348) = ( 0.5000000 0.1082532 0.4592793), wk = 0.0022422 k( 349) = ( 0.5000000 0.1142672 0.4507742), wk = 0.0022422 k( 350) = ( 0.5000000 0.1202813 0.4422690), wk = 0.0022422 k( 351) = ( 0.5000000 0.1262954 0.4337638), wk = 0.0022422 k( 352) = ( 0.5000000 0.1323094 0.4252586), wk = 0.0022422 k( 353) = ( 0.5000000 0.1383235 0.4167535), wk = 0.0022422 k( 354) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0022422 k( 355) = ( 0.5000000 0.1503516 0.3997431), wk = 0.0022422 k( 356) = ( 0.5000000 0.1563657 0.3912379), wk = 0.0022422 k( 357) = ( 0.5000000 0.1623798 0.3827328), wk = 0.0022422 k( 358) = ( 0.5000000 0.1683938 0.3742276), wk = 0.0022422 k( 359) = ( 0.5000000 0.1744079 0.3657224), wk = 0.0022422 k( 360) = ( 0.5000000 0.1804220 0.3572173), wk = 0.0022422 k( 361) = ( 0.5000000 0.1864360 0.3487121), wk = 0.0022422 k( 362) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0022422 k( 363) = ( 0.5000000 0.1984642 0.3317017), wk = 0.0022422 k( 364) = ( 0.5000000 0.2044782 0.3231966), wk = 0.0022422 k( 365) = ( 0.5000000 0.2104923 0.3146914), wk = 0.0022422 k( 366) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0022422 k( 367) = ( 0.5000000 0.2225204 0.2976811), wk = 0.0022422 k( 368) = ( 0.5000000 0.2285345 0.2891759), wk = 0.0022422 k( 369) = ( 0.5000000 0.2345485 0.2806707), wk = 0.0022422 k( 370) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0022422 k( 371) = ( 0.5000000 0.2465767 0.2636603), wk = 0.0022422 k( 372) = ( 0.5000000 0.2525907 0.2551552), wk = 0.0022422 k( 373) = ( 0.5000000 0.2586048 0.2466500), wk = 0.0022422 k( 374) = ( 0.5000000 0.2646189 0.2381448), wk = 0.0022422 k( 375) = ( 0.5000000 0.2706329 0.2296397), wk = 0.0022422 k( 376) = ( 0.5000000 0.2766470 0.2211345), wk = 0.0022422 k( 377) = ( 0.5000000 0.2826611 0.2126293), wk = 0.0022422 k( 378) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022422 k( 379) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022422 k( 380) = ( 0.4970238 0.2869568 0.2138443), wk = 0.0022422 k( 381) = ( 0.4940476 0.2852385 0.2235645), wk = 0.0022422 k( 382) = ( 0.4910714 0.2835202 0.2332847), wk = 0.0022422 k( 383) = ( 0.4880952 0.2818019 0.2430049), wk = 0.0022422 k( 384) = ( 0.4851190 0.2800836 0.2527251), wk = 0.0022422 k( 385) = ( 0.4821429 0.2783653 0.2624453), wk = 0.0022422 k( 386) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0022422 k( 387) = ( 0.4761905 0.2749287 0.2818857), wk = 0.0022422 k( 388) = ( 0.4732143 0.2732104 0.2916059), wk = 0.0022422 k( 389) = ( 0.4702381 0.2714921 0.3013261), wk = 0.0022422 k( 390) = ( 0.4672619 0.2697738 0.3110463), wk = 0.0022422 k( 391) = ( 0.4642857 0.2680555 0.3207665), wk = 0.0022422 k( 392) = ( 0.4613095 0.2663372 0.3304867), wk = 0.0022422 k( 393) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0022422 k( 394) = ( 0.4553571 0.2629006 0.3499271), wk = 0.0022422 k( 395) = ( 0.4523810 0.2611823 0.3596473), wk = 0.0022422 k( 396) = ( 0.4494048 0.2594640 0.3693675), wk = 0.0022422 k( 397) = ( 0.4464286 0.2577457 0.3790877), wk = 0.0022422 k( 398) = ( 0.4434524 0.2560274 0.3888079), wk = 0.0022422 k( 399) = ( 0.4404762 0.2543090 0.3985281), wk = 0.0022422 k( 400) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0022422 k( 401) = ( 0.4345238 0.2508724 0.4179685), wk = 0.0022422 k( 402) = ( 0.4315476 0.2491541 0.4276887), wk = 0.0022422 k( 403) = ( 0.4285714 0.2474358 0.4374089), wk = 0.0022422 k( 404) = ( 0.4255952 0.2457175 0.4471291), wk = 0.0022422 k( 405) = ( 0.4226190 0.2439992 0.4568493), wk = 0.0022422 k( 406) = ( 0.4196429 0.2422809 0.4665695), wk = 0.0022422 k( 407) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0022422 k( 408) = ( 0.4136905 0.2388443 0.4860099), wk = 0.0022422 k( 409) = ( 0.4107143 0.2371260 0.4957301), wk = 0.0022422 k( 410) = ( 0.4077381 0.2354077 0.5054503), wk = 0.0022422 k( 411) = ( 0.4047619 0.2336894 0.5151705), wk = 0.0022422 k( 412) = ( 0.4017857 0.2319711 0.5248907), wk = 0.0022422 k( 413) = ( 0.3988095 0.2302528 0.5346109), wk = 0.0022422 k( 414) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0022422 k( 415) = ( 0.3928571 0.2268162 0.5540512), wk = 0.0022422 k( 416) = ( 0.3898810 0.2250979 0.5637715), wk = 0.0022422 k( 417) = ( 0.3869048 0.2233796 0.5734917), wk = 0.0022422 k( 418) = ( 0.3839286 0.2216613 0.5832118), wk = 0.0022422 k( 419) = ( 0.3809524 0.2199430 0.5929320), wk = 0.0022422 k( 420) = ( 0.3779762 0.2182247 0.6026522), wk = 0.0022422 k( 421) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0022422 k( 422) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0022422 k( 423) = ( 0.6197917 -0.0811899 0.4082483), wk = 0.0022422 k( 424) = ( 0.6145833 -0.0902110 0.4082483), wk = 0.0022422 k( 425) = ( 0.6093750 -0.0992321 0.4082483), wk = 0.0022422 k( 426) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0022422 k( 427) = ( 0.5989583 -0.1172743 0.4082483), wk = 0.0022422 k( 428) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0022422 k( 429) = ( 0.5885417 -0.1353165 0.4082483), wk = 0.0022422 k( 430) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0022422 k( 431) = ( 0.5781250 -0.1533587 0.4082483), wk = 0.0022422 k( 432) = ( 0.5729167 -0.1623798 0.4082483), wk = 0.0022422 k( 433) = ( 0.5677083 -0.1714009 0.4082483), wk = 0.0022422 k( 434) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0022422 k( 435) = ( 0.5572917 -0.1894431 0.4082483), wk = 0.0022422 k( 436) = ( 0.5520833 -0.1984641 0.4082483), wk = 0.0022422 k( 437) = ( 0.5468750 -0.2074853 0.4082483), wk = 0.0022422 k( 438) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0022422 k( 439) = ( 0.5364583 -0.2255274 0.4082483), wk = 0.0022422 k( 440) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0022422 k( 441) = ( 0.5260417 -0.2435697 0.4082483), wk = 0.0022422 k( 442) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0022422 k( 443) = ( 0.5156250 -0.2616118 0.4082483), wk = 0.0022422 k( 444) = ( 0.5104167 -0.2706329 0.4082483), wk = 0.0022422 k( 445) = ( 0.5052083 -0.2796540 0.4082483), wk = 0.0022422 k( 446) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0022422 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022422 k( 2) = ( 0.0074627 -0.0000000 0.0074627), wk = 0.0022422 k( 3) = ( 0.0149254 -0.0000000 0.0149254), wk = 0.0022422 k( 4) = ( 0.0223881 0.0000000 0.0223881), wk = 0.0022422 k( 5) = ( 0.0298507 -0.0000000 0.0298507), wk = 0.0022422 k( 6) = ( 0.0373134 -0.0000000 0.0373134), wk = 0.0022422 k( 7) = ( 0.0447761 0.0000000 0.0447761), wk = 0.0022422 k( 8) = ( 0.0522388 -0.0000000 0.0522388), wk = 0.0022422 k( 9) = ( 0.0597015 -0.0000000 0.0597015), wk = 0.0022422 k( 10) = ( 0.0671642 -0.0000000 0.0671642), wk = 0.0022422 k( 11) = ( 0.0746269 -0.0000000 0.0746269), wk = 0.0022422 k( 12) = ( 0.0820895 -0.0000000 0.0820895), wk = 0.0022422 k( 13) = ( 0.0895522 0.0000000 0.0895522), wk = 0.0022422 k( 14) = ( 0.0970149 -0.0000000 0.0970149), wk = 0.0022422 k( 15) = ( 0.1044776 -0.0000000 0.1044776), wk = 0.0022422 k( 16) = ( 0.1119403 -0.0000000 0.1119403), wk = 0.0022422 k( 17) = ( 0.1194030 -0.0000000 0.1194030), wk = 0.0022422 k( 18) = ( 0.1268657 -0.0000000 0.1268657), wk = 0.0022422 k( 19) = ( 0.1343284 -0.0000000 0.1343284), wk = 0.0022422 k( 20) = ( 0.1417910 -0.0000000 0.1417910), wk = 0.0022422 k( 21) = ( 0.1492537 -0.0000000 0.1492537), wk = 0.0022422 k( 22) = ( 0.1567164 -0.0000000 0.1567164), wk = 0.0022422 k( 23) = ( 0.1641791 -0.0000000 0.1641791), wk = 0.0022422 k( 24) = ( 0.1716418 -0.0000000 0.1716418), wk = 0.0022422 k( 25) = ( 0.1791045 0.0000000 0.1791045), wk = 0.0022422 k( 26) = ( 0.1865672 -0.0000000 0.1865672), wk = 0.0022422 k( 27) = ( 0.1940299 -0.0000000 0.1940299), wk = 0.0022422 k( 28) = ( 0.2014925 0.0000000 0.2014925), wk = 0.0022422 k( 29) = ( 0.2089552 -0.0000000 0.2089552), wk = 0.0022422 k( 30) = ( 0.2164179 -0.0000000 0.2164179), wk = 0.0022422 k( 31) = ( 0.2238806 -0.0000000 0.2238806), wk = 0.0022422 k( 32) = ( 0.2313433 -0.0000000 0.2313433), wk = 0.0022422 k( 33) = ( 0.2388060 -0.0000000 0.2388060), wk = 0.0022422 k( 34) = ( 0.2462687 -0.0000000 0.2462687), wk = 0.0022422 k( 35) = ( 0.2537313 -0.0000000 0.2537313), wk = 0.0022422 k( 36) = ( 0.2611940 -0.0000000 0.2611940), wk = 0.0022422 k( 37) = ( 0.2686567 -0.0000000 0.2686567), wk = 0.0022422 k( 38) = ( 0.2761194 -0.0000000 0.2761194), wk = 0.0022422 k( 39) = ( 0.2835821 -0.0000000 0.2835821), wk = 0.0022422 k( 40) = ( 0.2910448 -0.0000000 0.2910448), wk = 0.0022422 k( 41) = ( 0.2985075 -0.0000000 0.2985075), wk = 0.0022422 k( 42) = ( 0.3059701 -0.0000000 0.3059701), wk = 0.0022422 k( 43) = ( 0.3134328 -0.0000000 0.3134328), wk = 0.0022422 k( 44) = ( 0.3208955 -0.0000000 0.3208955), wk = 0.0022422 k( 45) = ( 0.3283582 -0.0000000 0.3283582), wk = 0.0022422 k( 46) = ( 0.3358209 -0.0000000 0.3358209), wk = 0.0022422 k( 47) = ( 0.3432836 -0.0000000 0.3432836), wk = 0.0022422 k( 48) = ( 0.3507463 -0.0000000 0.3507463), wk = 0.0022422 k( 49) = ( 0.3582090 0.0000000 0.3582090), wk = 0.0022422 k( 50) = ( 0.3656716 -0.0000000 0.3656716), wk = 0.0022422 k( 51) = ( 0.3731343 -0.0000000 0.3731343), wk = 0.0022422 k( 52) = ( 0.3805970 0.0000000 0.3805970), wk = 0.0022422 k( 53) = ( 0.3880597 -0.0000000 0.3880597), wk = 0.0022422 k( 54) = ( 0.3955224 -0.0000000 0.3955224), wk = 0.0022422 k( 55) = ( 0.4029851 -0.0000000 0.4029851), wk = 0.0022422 k( 56) = ( 0.4104478 0.0000000 0.4104478), wk = 0.0022422 k( 57) = ( 0.4179104 -0.0000000 0.4179104), wk = 0.0022422 k( 58) = ( 0.4253731 -0.0000000 0.4253731), wk = 0.0022422 k( 59) = ( 0.4328358 -0.0000000 0.4328358), wk = 0.0022422 k( 60) = ( 0.4402985 -0.0000000 0.4402985), wk = 0.0022422 k( 61) = ( 0.4477612 -0.0000000 0.4477612), wk = 0.0022422 k( 62) = ( 0.4552239 -0.0000000 0.4552239), wk = 0.0022422 k( 63) = ( 0.4626866 -0.0000000 0.4626866), wk = 0.0022422 k( 64) = ( 0.4701493 -0.0000000 0.4701492), wk = 0.0022422 k( 65) = ( 0.4776119 -0.0000000 0.4776119), wk = 0.0022422 k( 66) = ( 0.4850746 -0.0000000 0.4850746), wk = 0.0022422 k( 67) = ( 0.4925373 -0.0000000 0.4925373), wk = 0.0022422 k( 68) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0022422 k( 69) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0022422 k( 70) = ( 0.5000000 0.0073529 0.5073529), wk = 0.0022422 k( 71) = ( 0.5000000 0.0147059 0.5147059), wk = 0.0022422 k( 72) = ( 0.5000000 0.0220588 0.5220588), wk = 0.0022422 k( 73) = ( 0.5000000 0.0294118 0.5294118), wk = 0.0022422 k( 74) = ( 0.5000000 0.0367647 0.5367647), wk = 0.0022422 k( 75) = ( 0.5000000 0.0441176 0.5441176), wk = 0.0022422 k( 76) = ( 0.5000000 0.0514706 0.5514706), wk = 0.0022422 k( 77) = ( 0.5000000 0.0588235 0.5588235), wk = 0.0022422 k( 78) = ( 0.5000000 0.0661765 0.5661765), wk = 0.0022422 k( 79) = ( 0.5000000 0.0735294 0.5735294), wk = 0.0022422 k( 80) = ( 0.5000000 0.0808823 0.5808823), wk = 0.0022422 k( 81) = ( 0.5000000 0.0882353 0.5882353), wk = 0.0022422 k( 82) = ( 0.5000000 0.0955882 0.5955882), wk = 0.0022422 k( 83) = ( 0.5000000 0.1029412 0.6029412), wk = 0.0022422 k( 84) = ( 0.5000000 0.1102941 0.6102941), wk = 0.0022422 k( 85) = ( 0.5000000 0.1176471 0.6176471), wk = 0.0022422 k( 86) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0022422 k( 87) = ( 0.5000000 0.1323529 0.6323529), wk = 0.0022422 k( 88) = ( 0.5000000 0.1397059 0.6397059), wk = 0.0022422 k( 89) = ( 0.5000000 0.1470588 0.6470588), wk = 0.0022422 k( 90) = ( 0.5000000 0.1544118 0.6544118), wk = 0.0022422 k( 91) = ( 0.5000000 0.1617647 0.6617647), wk = 0.0022422 k( 92) = ( 0.5000000 0.1691176 0.6691176), wk = 0.0022422 k( 93) = ( 0.5000000 0.1764706 0.6764706), wk = 0.0022422 k( 94) = ( 0.5000000 0.1838235 0.6838235), wk = 0.0022422 k( 95) = ( 0.5000000 0.1911765 0.6911765), wk = 0.0022422 k( 96) = ( 0.5000000 0.1985294 0.6985294), wk = 0.0022422 k( 97) = ( 0.5000000 0.2058823 0.7058823), wk = 0.0022422 k( 98) = ( 0.5000000 0.2132353 0.7132353), wk = 0.0022422 k( 99) = ( 0.5000000 0.2205882 0.7205882), wk = 0.0022422 k( 100) = ( 0.5000000 0.2279412 0.7279412), wk = 0.0022422 k( 101) = ( 0.5000000 0.2352941 0.7352941), wk = 0.0022422 k( 102) = ( 0.5000000 0.2426471 0.7426471), wk = 0.0022422 k( 103) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022422 k( 104) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022422 k( 105) = ( 0.4947917 0.2552083 0.7500000), wk = 0.0022422 k( 106) = ( 0.4895833 0.2604167 0.7500000), wk = 0.0022422 k( 107) = ( 0.4843750 0.2656250 0.7500000), wk = 0.0022422 k( 108) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0022422 k( 109) = ( 0.4739583 0.2760417 0.7500000), wk = 0.0022422 k( 110) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0022422 k( 111) = ( 0.4635417 0.2864583 0.7500000), wk = 0.0022422 k( 112) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0022422 k( 113) = ( 0.4531250 0.2968750 0.7500000), wk = 0.0022422 k( 114) = ( 0.4479167 0.3020833 0.7500000), wk = 0.0022422 k( 115) = ( 0.4427083 0.3072917 0.7500000), wk = 0.0022422 k( 116) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0022422 k( 117) = ( 0.4322917 0.3177083 0.7500000), wk = 0.0022422 k( 118) = ( 0.4270833 0.3229167 0.7500000), wk = 0.0022422 k( 119) = ( 0.4218750 0.3281250 0.7500000), wk = 0.0022422 k( 120) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0022422 k( 121) = ( 0.4114583 0.3385417 0.7500000), wk = 0.0022422 k( 122) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0022422 k( 123) = ( 0.4010417 0.3489583 0.7500000), wk = 0.0022422 k( 124) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0022422 k( 125) = ( 0.3906250 0.3593750 0.7500000), wk = 0.0022422 k( 126) = ( 0.3854167 0.3645833 0.7500000), wk = 0.0022422 k( 127) = ( 0.3802083 0.3697917 0.7500000), wk = 0.0022422 k( 128) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022422 k( 129) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022422 k( 130) = ( 0.3697917 0.3697917 0.7395833), wk = 0.0022422 k( 131) = ( 0.3645833 0.3645833 0.7291667), wk = 0.0022422 k( 132) = ( 0.3593750 0.3593750 0.7187500), wk = 0.0022422 k( 133) = ( 0.3541667 0.3541667 0.7083333), wk = 0.0022422 k( 134) = ( 0.3489583 0.3489583 0.6979167), wk = 0.0022422 k( 135) = ( 0.3437500 0.3437500 0.6875000), wk = 0.0022422 k( 136) = ( 0.3385417 0.3385417 0.6770833), wk = 0.0022422 k( 137) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0022422 k( 138) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0022422 k( 139) = ( 0.3229167 0.3229167 0.6458333), wk = 0.0022422 k( 140) = ( 0.3177083 0.3177083 0.6354167), wk = 0.0022422 k( 141) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0022422 k( 142) = ( 0.3072917 0.3072917 0.6145833), wk = 0.0022422 k( 143) = ( 0.3020833 0.3020833 0.6041667), wk = 0.0022422 k( 144) = ( 0.2968750 0.2968750 0.5937500), wk = 0.0022422 k( 145) = ( 0.2916667 0.2916667 0.5833333), wk = 0.0022422 k( 146) = ( 0.2864583 0.2864583 0.5729167), wk = 0.0022422 k( 147) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0022422 k( 148) = ( 0.2760417 0.2760417 0.5520833), wk = 0.0022422 k( 149) = ( 0.2708333 0.2708333 0.5416667), wk = 0.0022422 k( 150) = ( 0.2656250 0.2656250 0.5312500), wk = 0.0022422 k( 151) = ( 0.2604167 0.2604167 0.5208333), wk = 0.0022422 k( 152) = ( 0.2552083 0.2552083 0.5104167), wk = 0.0022422 k( 153) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0022422 k( 154) = ( 0.2447917 0.2447917 0.4895833), wk = 0.0022422 k( 155) = ( 0.2395833 0.2395833 0.4791667), wk = 0.0022422 k( 156) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0022422 k( 157) = ( 0.2291667 0.2291667 0.4583333), wk = 0.0022422 k( 158) = ( 0.2239583 0.2239583 0.4479167), wk = 0.0022422 k( 159) = ( 0.2187500 0.2187500 0.4375000), wk = 0.0022422 k( 160) = ( 0.2135417 0.2135417 0.4270833), wk = 0.0022422 k( 161) = ( 0.2083333 0.2083333 0.4166667), wk = 0.0022422 k( 162) = ( 0.2031250 0.2031250 0.4062500), wk = 0.0022422 k( 163) = ( 0.1979167 0.1979167 0.3958333), wk = 0.0022422 k( 164) = ( 0.1927083 0.1927083 0.3854167), wk = 0.0022422 k( 165) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0022422 k( 166) = ( 0.1822917 0.1822917 0.3645833), wk = 0.0022422 k( 167) = ( 0.1770833 0.1770833 0.3541667), wk = 0.0022422 k( 168) = ( 0.1718750 0.1718750 0.3437500), wk = 0.0022422 k( 169) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0022422 k( 170) = ( 0.1614583 0.1614583 0.3229167), wk = 0.0022422 k( 171) = ( 0.1562500 0.1562500 0.3125000), wk = 0.0022422 k( 172) = ( 0.1510417 0.1510417 0.3020833), wk = 0.0022422 k( 173) = ( 0.1458333 0.1458333 0.2916667), wk = 0.0022422 k( 174) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0022422 k( 175) = ( 0.1354167 0.1354167 0.2708333), wk = 0.0022422 k( 176) = ( 0.1302083 0.1302083 0.2604167), wk = 0.0022422 k( 177) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0022422 k( 178) = ( 0.1197917 0.1197917 0.2395833), wk = 0.0022422 k( 179) = ( 0.1145833 0.1145833 0.2291667), wk = 0.0022422 k( 180) = ( 0.1093750 0.1093750 0.2187500), wk = 0.0022422 k( 181) = ( 0.1041667 0.1041667 0.2083333), wk = 0.0022422 k( 182) = ( 0.0989583 0.0989583 0.1979167), wk = 0.0022422 k( 183) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0022422 k( 184) = ( 0.0885417 0.0885417 0.1770833), wk = 0.0022422 k( 185) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0022422 k( 186) = ( 0.0781250 0.0781250 0.1562500), wk = 0.0022422 k( 187) = ( 0.0729167 0.0729167 0.1458333), wk = 0.0022422 k( 188) = ( 0.0677083 0.0677083 0.1354167), wk = 0.0022422 k( 189) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0022422 k( 190) = ( 0.0572917 0.0572917 0.1145833), wk = 0.0022422 k( 191) = ( 0.0520833 0.0520833 0.1041667), wk = 0.0022422 k( 192) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0022422 k( 193) = ( 0.0416667 0.0416667 0.0833333), wk = 0.0022422 k( 194) = ( 0.0364583 0.0364583 0.0729167), wk = 0.0022422 k( 195) = ( 0.0312500 0.0312500 0.0625000), wk = 0.0022422 k( 196) = ( 0.0260417 0.0260417 0.0520833), wk = 0.0022422 k( 197) = ( 0.0208333 0.0208333 0.0416667), wk = 0.0022422 k( 198) = ( 0.0156250 0.0156250 0.0312500), wk = 0.0022422 k( 199) = ( 0.0104167 0.0104167 0.0208333), wk = 0.0022422 k( 200) = ( 0.0052083 0.0052083 0.0104167), wk = 0.0022422 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022422 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022422 k( 203) = ( 0.0084746 0.0084746 0.0084746), wk = 0.0022422 k( 204) = ( 0.0169491 0.0169491 0.0169491), wk = 0.0022422 k( 205) = ( 0.0254237 0.0254237 0.0254237), wk = 0.0022422 k( 206) = ( 0.0338983 0.0338983 0.0338983), wk = 0.0022422 k( 207) = ( 0.0423729 0.0423729 0.0423729), wk = 0.0022422 k( 208) = ( 0.0508475 0.0508475 0.0508475), wk = 0.0022422 k( 209) = ( 0.0593220 0.0593220 0.0593220), wk = 0.0022422 k( 210) = ( 0.0677966 0.0677966 0.0677966), wk = 0.0022422 k( 211) = ( 0.0762712 0.0762712 0.0762712), wk = 0.0022422 k( 212) = ( 0.0847458 0.0847458 0.0847458), wk = 0.0022422 k( 213) = ( 0.0932203 0.0932203 0.0932203), wk = 0.0022422 k( 214) = ( 0.1016949 0.1016949 0.1016949), wk = 0.0022422 k( 215) = ( 0.1101695 0.1101695 0.1101695), wk = 0.0022422 k( 216) = ( 0.1186441 0.1186441 0.1186441), wk = 0.0022422 k( 217) = ( 0.1271186 0.1271186 0.1271186), wk = 0.0022422 k( 218) = ( 0.1355932 0.1355932 0.1355932), wk = 0.0022422 k( 219) = ( 0.1440678 0.1440678 0.1440678), wk = 0.0022422 k( 220) = ( 0.1525424 0.1525424 0.1525424), wk = 0.0022422 k( 221) = ( 0.1610169 0.1610169 0.1610169), wk = 0.0022422 k( 222) = ( 0.1694915 0.1694915 0.1694915), wk = 0.0022422 k( 223) = ( 0.1779661 0.1779661 0.1779661), wk = 0.0022422 k( 224) = ( 0.1864407 0.1864407 0.1864407), wk = 0.0022422 k( 225) = ( 0.1949153 0.1949153 0.1949152), wk = 0.0022422 k( 226) = ( 0.2033898 0.2033898 0.2033898), wk = 0.0022422 k( 227) = ( 0.2118644 0.2118644 0.2118644), wk = 0.0022422 k( 228) = ( 0.2203390 0.2203390 0.2203390), wk = 0.0022422 k( 229) = ( 0.2288136 0.2288136 0.2288136), wk = 0.0022422 k( 230) = ( 0.2372881 0.2372881 0.2372881), wk = 0.0022422 k( 231) = ( 0.2457627 0.2457627 0.2457627), wk = 0.0022422 k( 232) = ( 0.2542373 0.2542373 0.2542373), wk = 0.0022422 k( 233) = ( 0.2627119 0.2627119 0.2627119), wk = 0.0022422 k( 234) = ( 0.2711864 0.2711864 0.2711864), wk = 0.0022422 k( 235) = ( 0.2796610 0.2796610 0.2796610), wk = 0.0022422 k( 236) = ( 0.2881356 0.2881356 0.2881356), wk = 0.0022422 k( 237) = ( 0.2966102 0.2966102 0.2966102), wk = 0.0022422 k( 238) = ( 0.3050848 0.3050848 0.3050847), wk = 0.0022422 k( 239) = ( 0.3135593 0.3135593 0.3135593), wk = 0.0022422 k( 240) = ( 0.3220339 0.3220339 0.3220339), wk = 0.0022422 k( 241) = ( 0.3305085 0.3305085 0.3305085), wk = 0.0022422 k( 242) = ( 0.3389831 0.3389831 0.3389830), wk = 0.0022422 k( 243) = ( 0.3474576 0.3474576 0.3474576), wk = 0.0022422 k( 244) = ( 0.3559322 0.3559322 0.3559322), wk = 0.0022422 k( 245) = ( 0.3644068 0.3644068 0.3644068), wk = 0.0022422 k( 246) = ( 0.3728814 0.3728814 0.3728814), wk = 0.0022422 k( 247) = ( 0.3813559 0.3813559 0.3813559), wk = 0.0022422 k( 248) = ( 0.3898305 0.3898305 0.3898305), wk = 0.0022422 k( 249) = ( 0.3983051 0.3983051 0.3983051), wk = 0.0022422 k( 250) = ( 0.4067797 0.4067797 0.4067797), wk = 0.0022422 k( 251) = ( 0.4152542 0.4152542 0.4152542), wk = 0.0022422 k( 252) = ( 0.4237288 0.4237288 0.4237288), wk = 0.0022422 k( 253) = ( 0.4322034 0.4322034 0.4322034), wk = 0.0022422 k( 254) = ( 0.4406780 0.4406780 0.4406780), wk = 0.0022422 k( 255) = ( 0.4491525 0.4491525 0.4491525), wk = 0.0022422 k( 256) = ( 0.4576271 0.4576271 0.4576271), wk = 0.0022422 k( 257) = ( 0.4661017 0.4661017 0.4661017), wk = 0.0022422 k( 258) = ( 0.4745763 0.4745763 0.4745763), wk = 0.0022422 k( 259) = ( 0.4830508 0.4830508 0.4830508), wk = 0.0022422 k( 260) = ( 0.4915254 0.4915254 0.4915254), wk = 0.0022422 k( 261) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022422 k( 262) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022422 k( 263) = ( 0.5029762 0.4940476 0.5029762), wk = 0.0022422 k( 264) = ( 0.5059524 0.4880952 0.5059524), wk = 0.0022422 k( 265) = ( 0.5089286 0.4821429 0.5089286), wk = 0.0022422 k( 266) = ( 0.5119048 0.4761905 0.5119048), wk = 0.0022422 k( 267) = ( 0.5148810 0.4702381 0.5148809), wk = 0.0022422 k( 268) = ( 0.5178571 0.4642857 0.5178571), wk = 0.0022422 k( 269) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0022422 k( 270) = ( 0.5238095 0.4523809 0.5238095), wk = 0.0022422 k( 271) = ( 0.5267857 0.4464286 0.5267857), wk = 0.0022422 k( 272) = ( 0.5297619 0.4404762 0.5297619), wk = 0.0022422 k( 273) = ( 0.5327381 0.4345238 0.5327381), wk = 0.0022422 k( 274) = ( 0.5357143 0.4285714 0.5357143), wk = 0.0022422 k( 275) = ( 0.5386905 0.4226190 0.5386905), wk = 0.0022422 k( 276) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0022422 k( 277) = ( 0.5446429 0.4107143 0.5446429), wk = 0.0022422 k( 278) = ( 0.5476190 0.4047619 0.5476190), wk = 0.0022422 k( 279) = ( 0.5505952 0.3988095 0.5505952), wk = 0.0022422 k( 280) = ( 0.5535714 0.3928571 0.5535714), wk = 0.0022422 k( 281) = ( 0.5565476 0.3869048 0.5565476), wk = 0.0022422 k( 282) = ( 0.5595238 0.3809524 0.5595238), wk = 0.0022422 k( 283) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0022422 k( 284) = ( 0.5654762 0.3690476 0.5654762), wk = 0.0022422 k( 285) = ( 0.5684524 0.3630952 0.5684524), wk = 0.0022422 k( 286) = ( 0.5714286 0.3571429 0.5714286), wk = 0.0022422 k( 287) = ( 0.5744048 0.3511905 0.5744048), wk = 0.0022422 k( 288) = ( 0.5773810 0.3452381 0.5773809), wk = 0.0022422 k( 289) = ( 0.5803571 0.3392857 0.5803571), wk = 0.0022422 k( 290) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0022422 k( 291) = ( 0.5863095 0.3273809 0.5863095), wk = 0.0022422 k( 292) = ( 0.5892857 0.3214286 0.5892857), wk = 0.0022422 k( 293) = ( 0.5922619 0.3154762 0.5922619), wk = 0.0022422 k( 294) = ( 0.5952381 0.3095238 0.5952381), wk = 0.0022422 k( 295) = ( 0.5982143 0.3035714 0.5982143), wk = 0.0022422 k( 296) = ( 0.6011905 0.2976190 0.6011905), wk = 0.0022422 k( 297) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0022422 k( 298) = ( 0.6071429 0.2857143 0.6071429), wk = 0.0022422 k( 299) = ( 0.6101190 0.2797619 0.6101190), wk = 0.0022422 k( 300) = ( 0.6130952 0.2738095 0.6130952), wk = 0.0022422 k( 301) = ( 0.6160714 0.2678571 0.6160714), wk = 0.0022422 k( 302) = ( 0.6190476 0.2619048 0.6190476), wk = 0.0022422 k( 303) = ( 0.6220238 0.2559524 0.6220238), wk = 0.0022422 k( 304) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022422 k( 305) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022422 k( 306) = ( 0.6197917 0.2500000 0.6302083), wk = 0.0022422 k( 307) = ( 0.6145833 0.2500000 0.6354167), wk = 0.0022422 k( 308) = ( 0.6093750 0.2500000 0.6406250), wk = 0.0022422 k( 309) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0022422 k( 310) = ( 0.5989583 0.2500000 0.6510417), wk = 0.0022422 k( 311) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0022422 k( 312) = ( 0.5885417 0.2500000 0.6614583), wk = 0.0022422 k( 313) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0022422 k( 314) = ( 0.5781250 0.2500000 0.6718750), wk = 0.0022422 k( 315) = ( 0.5729167 0.2500000 0.6770833), wk = 0.0022422 k( 316) = ( 0.5677083 0.2500000 0.6822917), wk = 0.0022422 k( 317) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0022422 k( 318) = ( 0.5572917 0.2500000 0.6927083), wk = 0.0022422 k( 319) = ( 0.5520833 0.2500000 0.6979167), wk = 0.0022422 k( 320) = ( 0.5468750 0.2500000 0.7031250), wk = 0.0022422 k( 321) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0022422 k( 322) = ( 0.5364583 0.2500000 0.7135417), wk = 0.0022422 k( 323) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0022422 k( 324) = ( 0.5260417 0.2500000 0.7239583), wk = 0.0022422 k( 325) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0022422 k( 326) = ( 0.5156250 0.2500000 0.7343750), wk = 0.0022422 k( 327) = ( 0.5104167 0.2500000 0.7395833), wk = 0.0022422 k( 328) = ( 0.5052083 0.2500000 0.7447917), wk = 0.0022422 k( 329) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022422 k( 330) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022422 k( 331) = ( 0.5000000 0.2552083 0.7447917), wk = 0.0022422 k( 332) = ( 0.5000000 0.2604167 0.7395833), wk = 0.0022422 k( 333) = ( 0.5000000 0.2656250 0.7343750), wk = 0.0022422 k( 334) = ( 0.5000000 0.2708333 0.7291667), wk = 0.0022422 k( 335) = ( 0.5000000 0.2760417 0.7239583), wk = 0.0022422 k( 336) = ( 0.5000000 0.2812500 0.7187500), wk = 0.0022422 k( 337) = ( 0.5000000 0.2864583 0.7135417), wk = 0.0022422 k( 338) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0022422 k( 339) = ( 0.5000000 0.2968750 0.7031250), wk = 0.0022422 k( 340) = ( 0.5000000 0.3020833 0.6979167), wk = 0.0022422 k( 341) = ( 0.5000000 0.3072917 0.6927083), wk = 0.0022422 k( 342) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0022422 k( 343) = ( 0.5000000 0.3177083 0.6822917), wk = 0.0022422 k( 344) = ( 0.5000000 0.3229167 0.6770833), wk = 0.0022422 k( 345) = ( 0.5000000 0.3281250 0.6718750), wk = 0.0022422 k( 346) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0022422 k( 347) = ( 0.5000000 0.3385417 0.6614583), wk = 0.0022422 k( 348) = ( 0.5000000 0.3437500 0.6562500), wk = 0.0022422 k( 349) = ( 0.5000000 0.3489583 0.6510417), wk = 0.0022422 k( 350) = ( 0.5000000 0.3541667 0.6458333), wk = 0.0022422 k( 351) = ( 0.5000000 0.3593750 0.6406250), wk = 0.0022422 k( 352) = ( 0.5000000 0.3645833 0.6354167), wk = 0.0022422 k( 353) = ( 0.5000000 0.3697917 0.6302083), wk = 0.0022422 k( 354) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0022422 k( 355) = ( 0.5000000 0.3802083 0.6197917), wk = 0.0022422 k( 356) = ( 0.5000000 0.3854167 0.6145833), wk = 0.0022422 k( 357) = ( 0.5000000 0.3906250 0.6093750), wk = 0.0022422 k( 358) = ( 0.5000000 0.3958333 0.6041667), wk = 0.0022422 k( 359) = ( 0.5000000 0.4010417 0.5989583), wk = 0.0022422 k( 360) = ( 0.5000000 0.4062500 0.5937500), wk = 0.0022422 k( 361) = ( 0.5000000 0.4114583 0.5885417), wk = 0.0022422 k( 362) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0022422 k( 363) = ( 0.5000000 0.4218750 0.5781250), wk = 0.0022422 k( 364) = ( 0.5000000 0.4270833 0.5729167), wk = 0.0022422 k( 365) = ( 0.5000000 0.4322917 0.5677083), wk = 0.0022422 k( 366) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0022422 k( 367) = ( 0.5000000 0.4427083 0.5572917), wk = 0.0022422 k( 368) = ( 0.5000000 0.4479167 0.5520833), wk = 0.0022422 k( 369) = ( 0.5000000 0.4531250 0.5468750), wk = 0.0022422 k( 370) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0022422 k( 371) = ( 0.5000000 0.4635417 0.5364583), wk = 0.0022422 k( 372) = ( 0.5000000 0.4687500 0.5312500), wk = 0.0022422 k( 373) = ( 0.5000000 0.4739583 0.5260417), wk = 0.0022422 k( 374) = ( 0.5000000 0.4791667 0.5208333), wk = 0.0022422 k( 375) = ( 0.5000000 0.4843750 0.5156250), wk = 0.0022422 k( 376) = ( 0.5000000 0.4895833 0.5104167), wk = 0.0022422 k( 377) = ( 0.5000000 0.4947917 0.5052083), wk = 0.0022422 k( 378) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022422 k( 379) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022422 k( 380) = ( 0.4970238 0.4970238 0.5059524), wk = 0.0022422 k( 381) = ( 0.4940476 0.4940476 0.5119048), wk = 0.0022422 k( 382) = ( 0.4910714 0.4910714 0.5178571), wk = 0.0022422 k( 383) = ( 0.4880952 0.4880952 0.5238095), wk = 0.0022422 k( 384) = ( 0.4851190 0.4851190 0.5297619), wk = 0.0022422 k( 385) = ( 0.4821429 0.4821429 0.5357143), wk = 0.0022422 k( 386) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0022422 k( 387) = ( 0.4761905 0.4761905 0.5476190), wk = 0.0022422 k( 388) = ( 0.4732143 0.4732143 0.5535714), wk = 0.0022422 k( 389) = ( 0.4702381 0.4702381 0.5595238), wk = 0.0022422 k( 390) = ( 0.4672619 0.4672619 0.5654762), wk = 0.0022422 k( 391) = ( 0.4642857 0.4642857 0.5714286), wk = 0.0022422 k( 392) = ( 0.4613095 0.4613095 0.5773810), wk = 0.0022422 k( 393) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0022422 k( 394) = ( 0.4553571 0.4553571 0.5892857), wk = 0.0022422 k( 395) = ( 0.4523810 0.4523809 0.5952381), wk = 0.0022422 k( 396) = ( 0.4494048 0.4494048 0.6011905), wk = 0.0022422 k( 397) = ( 0.4464286 0.4464286 0.6071429), wk = 0.0022422 k( 398) = ( 0.4434524 0.4434524 0.6130952), wk = 0.0022422 k( 399) = ( 0.4404762 0.4404762 0.6190476), wk = 0.0022422 k( 400) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0022422 k( 401) = ( 0.4345238 0.4345238 0.6309524), wk = 0.0022422 k( 402) = ( 0.4315476 0.4315476 0.6369048), wk = 0.0022422 k( 403) = ( 0.4285714 0.4285714 0.6428571), wk = 0.0022422 k( 404) = ( 0.4255952 0.4255952 0.6488095), wk = 0.0022422 k( 405) = ( 0.4226190 0.4226190 0.6547619), wk = 0.0022422 k( 406) = ( 0.4196429 0.4196429 0.6607143), wk = 0.0022422 k( 407) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0022422 k( 408) = ( 0.4136905 0.4136905 0.6726190), wk = 0.0022422 k( 409) = ( 0.4107143 0.4107143 0.6785714), wk = 0.0022422 k( 410) = ( 0.4077381 0.4077381 0.6845238), wk = 0.0022422 k( 411) = ( 0.4047619 0.4047619 0.6904762), wk = 0.0022422 k( 412) = ( 0.4017857 0.4017857 0.6964286), wk = 0.0022422 k( 413) = ( 0.3988095 0.3988095 0.7023810), wk = 0.0022422 k( 414) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0022422 k( 415) = ( 0.3928571 0.3928571 0.7142857), wk = 0.0022422 k( 416) = ( 0.3898810 0.3898810 0.7202381), wk = 0.0022422 k( 417) = ( 0.3869048 0.3869048 0.7261905), wk = 0.0022422 k( 418) = ( 0.3839286 0.3839286 0.7321429), wk = 0.0022422 k( 419) = ( 0.3809524 0.3809524 0.7380952), wk = 0.0022422 k( 420) = ( 0.3779762 0.3779762 0.7440476), wk = 0.0022422 k( 421) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022422 k( 422) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022422 k( 423) = ( 0.6197917 0.2395833 0.6197917), wk = 0.0022422 k( 424) = ( 0.6145833 0.2291667 0.6145833), wk = 0.0022422 k( 425) = ( 0.6093750 0.2187500 0.6093750), wk = 0.0022422 k( 426) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0022422 k( 427) = ( 0.5989583 0.1979167 0.5989583), wk = 0.0022422 k( 428) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0022422 k( 429) = ( 0.5885417 0.1770833 0.5885417), wk = 0.0022422 k( 430) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0022422 k( 431) = ( 0.5781250 0.1562500 0.5781250), wk = 0.0022422 k( 432) = ( 0.5729167 0.1458333 0.5729167), wk = 0.0022422 k( 433) = ( 0.5677083 0.1354167 0.5677083), wk = 0.0022422 k( 434) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0022422 k( 435) = ( 0.5572917 0.1145833 0.5572917), wk = 0.0022422 k( 436) = ( 0.5520833 0.1041667 0.5520833), wk = 0.0022422 k( 437) = ( 0.5468750 0.0937500 0.5468750), wk = 0.0022422 k( 438) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0022422 k( 439) = ( 0.5364583 0.0729167 0.5364583), wk = 0.0022422 k( 440) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0022422 k( 441) = ( 0.5260417 0.0520833 0.5260417), wk = 0.0022422 k( 442) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0022422 k( 443) = ( 0.5156250 0.0312500 0.5156250), wk = 0.0022422 k( 444) = ( 0.5104167 0.0208333 0.5104167), wk = 0.0022422 k( 445) = ( 0.5052083 0.0104167 0.5052083), wk = 0.0022422 k( 446) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0022422 Dense grid: 17261 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 8363 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 50, 26) NL pseudopotentials 0.02 Mb ( 25, 48) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 360) G-vector shells 0.00 Mb ( 155) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.08 Mb ( 50, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.04 Mb ( 48, 2, 26) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./MoC.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.4 secs Computing kpt #: 2 total cpu time spent up to now is 40.7 secs Computing kpt #: 3 total cpu time spent up to now is 41.0 secs Computing kpt #: 4 total cpu time spent up to now is 41.3 secs Computing kpt #: 5 total cpu time spent up to now is 41.6 secs Computing kpt #: 6 total cpu time spent up to now is 42.0 secs Computing kpt #: 7 total cpu time spent up to now is 42.3 secs Computing kpt #: 8 total cpu time spent up to now is 42.7 secs Computing kpt #: 9 total cpu time spent up to now is 43.0 secs Computing kpt #: 10 total cpu time spent up to now is 43.4 secs Computing kpt #: 11 total cpu time spent up to now is 43.7 secs Computing kpt #: 12 total cpu time spent up to now is 44.0 secs Computing kpt #: 13 total cpu time spent up to now is 44.3 secs Computing kpt #: 14 total cpu time spent up to now is 44.6 secs Computing kpt #: 15 total cpu time spent up to now is 44.9 secs Computing kpt #: 16 total cpu time spent up to now is 45.2 secs Computing kpt #: 17 total cpu time spent up to now is 45.5 secs Computing kpt #: 18 total cpu time spent up to now is 45.8 secs Computing kpt #: 19 total cpu time spent up to now is 46.1 secs Computing kpt #: 20 total cpu time spent up to now is 46.4 secs Computing kpt #: 21 total cpu time spent up to now is 46.7 secs Computing kpt #: 22 total cpu time spent up to now is 47.0 secs Computing kpt #: 23 total cpu time spent up to now is 47.3 secs Computing kpt #: 24 total cpu time spent up to now is 47.6 secs Computing kpt #: 25 total cpu time spent up to now is 48.0 secs Computing kpt #: 26 total cpu time spent up to now is 48.3 secs Computing kpt #: 27 total cpu time spent up to now is 48.6 secs Computing kpt #: 28 total cpu time spent up to now is 48.9 secs Computing kpt #: 29 total cpu time spent up to now is 49.2 secs Computing kpt #: 30 total cpu time spent up to now is 49.5 secs Computing kpt #: 31 total cpu time spent up to now is 49.8 secs Computing kpt #: 32 total cpu time spent up to now is 50.2 secs Computing kpt #: 33 total cpu time spent up to now is 50.5 secs Computing kpt #: 34 total cpu time spent up to now is 50.8 secs Computing kpt #: 35 total cpu time spent up to now is 51.0 secs Computing kpt #: 36 total cpu time spent up to now is 51.2 secs Computing kpt #: 37 total cpu time spent up to now is 51.5 secs Computing kpt #: 38 total cpu time spent up to now is 51.7 secs Computing kpt #: 39 total cpu time spent up to now is 51.9 secs Computing kpt #: 40 total cpu time spent up to now is 52.2 secs Computing kpt #: 41 total cpu time spent up to now is 52.4 secs Computing kpt #: 42 total cpu time spent up to now is 52.6 secs Computing kpt #: 43 total cpu time spent up to now is 52.8 secs Computing kpt #: 44 total cpu time spent up to now is 53.1 secs Computing kpt #: 45 total cpu time spent up to now is 53.4 secs Computing kpt #: 46 total cpu time spent up to now is 53.7 secs Computing kpt #: 47 total cpu time spent up to now is 53.9 secs Computing kpt #: 48 total cpu time spent up to now is 54.2 secs Computing kpt #: 49 total cpu time spent up to now is 54.5 secs Computing kpt #: 50 total cpu time spent up to now is 54.7 secs Computing kpt #: 51 total cpu time spent up to now is 54.9 secs Computing kpt #: 52 total cpu time spent up to now is 55.1 secs Computing kpt #: 53 total cpu time spent up to now is 55.3 secs Computing kpt #: 54 total cpu time spent up to now is 55.5 secs Computing kpt #: 55 total cpu time spent up to now is 55.8 secs Computing kpt #: 56 total cpu time spent up to now is 56.0 secs Computing kpt #: 57 total cpu time spent up to now is 56.2 secs Computing kpt #: 58 total cpu time spent up to now is 56.4 secs Computing kpt #: 59 total cpu time spent up to now is 56.6 secs Computing kpt #: 60 total cpu time spent up to now is 56.8 secs Computing kpt #: 61 total cpu time spent up to now is 57.0 secs Computing kpt #: 62 total cpu time spent up to now is 57.2 secs Computing kpt #: 63 total cpu time spent up to now is 57.4 secs Computing kpt #: 64 total cpu time spent up to now is 57.6 secs Computing kpt #: 65 total cpu time spent up to now is 57.7 secs Computing kpt #: 66 total cpu time spent up to now is 57.9 secs Computing kpt #: 67 total cpu time spent up to now is 58.1 secs Computing kpt #: 68 total cpu time spent up to now is 58.3 secs Computing kpt #: 69 total cpu time spent up to now is 58.5 secs Computing kpt #: 70 total cpu time spent up to now is 58.7 secs Computing kpt #: 71 total cpu time spent up to now is 58.9 secs Computing kpt #: 72 total cpu time spent up to now is 59.1 secs Computing kpt #: 73 total cpu time spent up to now is 59.4 secs Computing kpt #: 74 total cpu time spent up to now is 59.6 secs Computing kpt #: 75 total cpu time spent up to now is 59.8 secs Computing kpt #: 76 total cpu time spent up to now is 59.9 secs Computing kpt #: 77 total cpu time spent up to now is 60.2 secs Computing kpt #: 78 total cpu time spent up to now is 60.4 secs Computing kpt #: 79 total cpu time spent up to now is 60.6 secs Computing kpt #: 80 total cpu time spent up to now is 60.7 secs Computing kpt #: 81 total cpu time spent up to now is 60.9 secs Computing kpt #: 82 total cpu time spent up to now is 61.1 secs Computing kpt #: 83 total cpu time spent up to now is 61.3 secs Computing kpt #: 84 total cpu time spent up to now is 61.5 secs Computing kpt #: 85 total cpu time spent up to now is 61.7 secs Computing kpt #: 86 total cpu time spent up to now is 61.9 secs Computing kpt #: 87 total cpu time spent up to now is 62.0 secs Computing kpt #: 88 total cpu time spent up to now is 62.2 secs Computing kpt #: 89 total cpu time spent up to now is 62.4 secs Computing kpt #: 90 total cpu time spent up to now is 62.6 secs Computing kpt #: 91 total cpu time spent up to now is 62.8 secs Computing kpt #: 92 total cpu time spent up to now is 63.0 secs Computing kpt #: 93 total cpu time spent up to now is 63.2 secs Computing kpt #: 94 total cpu time spent up to now is 63.3 secs Computing kpt #: 95 total cpu time spent up to now is 63.5 secs Computing kpt #: 96 total cpu time spent up to now is 63.7 secs Computing kpt #: 97 total cpu time spent up to now is 63.9 secs Computing kpt #: 98 total cpu time spent up to now is 64.1 secs Computing kpt #: 99 total cpu time spent up to now is 64.3 secs Computing kpt #: 100 total cpu time spent up to now is 64.5 secs Computing kpt #: 101 total cpu time spent up to now is 64.7 secs Computing kpt #: 102 total cpu time spent up to now is 64.9 secs Computing kpt #: 103 total cpu time spent up to now is 65.1 secs Computing kpt #: 104 total cpu time spent up to now is 65.3 secs Computing kpt #: 105 total cpu time spent up to now is 65.5 secs Computing kpt #: 106 total cpu time spent up to now is 65.7 secs Computing kpt #: 107 total cpu time spent up to now is 65.9 secs Computing kpt #: 108 total cpu time spent up to now is 66.2 secs Computing kpt #: 109 total cpu time spent up to now is 66.4 secs Computing kpt #: 110 total cpu time spent up to now is 66.6 secs Computing kpt #: 111 total cpu time spent up to now is 66.8 secs Computing kpt #: 112 total cpu time spent up to now is 67.0 secs Computing kpt #: 113 total cpu time spent up to now is 67.2 secs Computing kpt #: 114 total cpu time spent up to now is 67.3 secs Computing kpt #: 115 total cpu time spent up to now is 67.5 secs Computing kpt #: 116 total cpu time spent up to now is 67.7 secs Computing kpt #: 117 total cpu time spent up to now is 67.9 secs Computing kpt #: 118 total cpu time spent up to now is 68.1 secs Computing kpt #: 119 total cpu time spent up to now is 68.3 secs Computing kpt #: 120 total cpu time spent up to now is 68.5 secs Computing kpt #: 121 total cpu time spent up to now is 68.7 secs Computing kpt #: 122 total cpu time spent up to now is 68.9 secs Computing kpt #: 123 total cpu time spent up to now is 69.1 secs Computing kpt #: 124 total cpu time spent up to now is 69.3 secs Computing kpt #: 125 total cpu time spent up to now is 69.5 secs Computing kpt #: 126 total cpu time spent up to now is 69.7 secs Computing kpt #: 127 total cpu time spent up to now is 69.8 secs Computing kpt #: 128 total cpu time spent up to now is 70.0 secs Computing kpt #: 129 total cpu time spent up to now is 70.2 secs Computing kpt #: 130 total cpu time spent up to now is 70.4 secs Computing kpt #: 131 total cpu time spent up to now is 70.7 secs Computing kpt #: 132 total cpu time spent up to now is 70.9 secs Computing kpt #: 133 total cpu time spent up to now is 71.1 secs Computing kpt #: 134 total cpu time spent up to now is 71.4 secs Computing kpt #: 135 total cpu time spent up to now is 71.6 secs Computing kpt #: 136 total cpu time spent up to now is 71.9 secs Computing kpt #: 137 total cpu time spent up to now is 72.2 secs Computing kpt #: 138 total cpu time spent up to now is 72.4 secs Computing kpt #: 139 total cpu time spent up to now is 72.7 secs Computing kpt #: 140 total cpu time spent up to now is 73.0 secs Computing kpt #: 141 total cpu time spent up to now is 73.3 secs Computing kpt #: 142 total cpu time spent up to now is 73.6 secs Computing kpt #: 143 total cpu time spent up to now is 73.8 secs Computing kpt #: 144 total cpu time spent up to now is 74.0 secs Computing kpt #: 145 total cpu time spent up to now is 74.5 secs Computing kpt #: 146 total cpu time spent up to now is 74.7 secs Computing kpt #: 147 total cpu time spent up to now is 75.0 secs Computing kpt #: 148 total cpu time spent up to now is 75.2 secs Computing kpt #: 149 total cpu time spent up to now is 75.5 secs Computing kpt #: 150 total cpu time spent up to now is 75.7 secs Computing kpt #: 151 total cpu time spent up to now is 75.9 secs Computing kpt #: 152 total cpu time spent up to now is 76.1 secs Computing kpt #: 153 total cpu time spent up to now is 76.3 secs Computing kpt #: 154 total cpu time spent up to now is 76.6 secs Computing kpt #: 155 total cpu time spent up to now is 76.8 secs Computing kpt #: 156 total cpu time spent up to now is 77.0 secs Computing kpt #: 157 total cpu time spent up to now is 77.2 secs Computing kpt #: 158 total cpu time spent up to now is 77.6 secs Computing kpt #: 159 total cpu time spent up to now is 77.8 secs Computing kpt #: 160 total cpu time spent up to now is 78.1 secs Computing kpt #: 161 total cpu time spent up to now is 78.3 secs Computing kpt #: 162 total cpu time spent up to now is 78.6 secs Computing kpt #: 163 total cpu time spent up to now is 78.8 secs Computing kpt #: 164 total cpu time spent up to now is 79.1 secs Computing kpt #: 165 total cpu time spent up to now is 79.4 secs Computing kpt #: 166 total cpu time spent up to now is 79.7 secs Computing kpt #: 167 total cpu time spent up to now is 80.0 secs Computing kpt #: 168 total cpu time spent up to now is 80.2 secs Computing kpt #: 169 total cpu time spent up to now is 80.5 secs Computing kpt #: 170 total cpu time spent up to now is 80.8 secs Computing kpt #: 171 total cpu time spent up to now is 81.1 secs Computing kpt #: 172 total cpu time spent up to now is 81.4 secs Computing kpt #: 173 total cpu time spent up to now is 81.8 secs Computing kpt #: 174 total cpu time spent up to now is 82.1 secs Computing kpt #: 175 total cpu time spent up to now is 82.3 secs Computing kpt #: 176 total cpu time spent up to now is 82.6 secs Computing kpt #: 177 total cpu time spent up to now is 82.9 secs Computing kpt #: 178 total cpu time spent up to now is 83.2 secs Computing kpt #: 179 total cpu time spent up to now is 83.5 secs Computing kpt #: 180 total cpu time spent up to now is 83.8 secs Computing kpt #: 181 total cpu time spent up to now is 84.1 secs Computing kpt #: 182 total cpu time spent up to now is 84.5 secs Computing kpt #: 183 total cpu time spent up to now is 84.7 secs Computing kpt #: 184 total cpu time spent up to now is 85.0 secs Computing kpt #: 185 total cpu time spent up to now is 85.3 secs Computing kpt #: 186 total cpu time spent up to now is 85.5 secs Computing kpt #: 187 total cpu time spent up to now is 85.9 secs Computing kpt #: 188 total cpu time spent up to now is 86.1 secs Computing kpt #: 189 total cpu time spent up to now is 86.4 secs Computing kpt #: 190 total cpu time spent up to now is 86.7 secs Computing kpt #: 191 total cpu time spent up to now is 87.0 secs Computing kpt #: 192 total cpu time spent up to now is 87.3 secs Computing kpt #: 193 total cpu time spent up to now is 87.5 secs Computing kpt #: 194 total cpu time spent up to now is 87.9 secs Computing kpt #: 195 total cpu time spent up to now is 88.3 secs Computing kpt #: 196 total cpu time spent up to now is 88.6 secs Computing kpt #: 197 total cpu time spent up to now is 89.0 secs Computing kpt #: 198 total cpu time spent up to now is 89.4 secs Computing kpt #: 199 total cpu time spent up to now is 89.7 secs Computing kpt #: 200 total cpu time spent up to now is 90.1 secs Computing kpt #: 201 total cpu time spent up to now is 90.4 secs Computing kpt #: 202 total cpu time spent up to now is 90.8 secs Computing kpt #: 203 total cpu time spent up to now is 91.1 secs Computing kpt #: 204 total cpu time spent up to now is 91.3 secs Computing kpt #: 205 total cpu time spent up to now is 91.7 secs Computing kpt #: 206 total cpu time spent up to now is 91.9 secs Computing kpt #: 207 total cpu time spent up to now is 92.2 secs Computing kpt #: 208 total cpu time spent up to now is 92.5 secs Computing kpt #: 209 total cpu time spent up to now is 92.7 secs Computing kpt #: 210 total cpu time spent up to now is 93.1 secs Computing kpt #: 211 total cpu time spent up to now is 93.5 secs Computing kpt #: 212 total cpu time spent up to now is 93.9 secs Computing kpt #: 213 total cpu time spent up to now is 94.2 secs Computing kpt #: 214 total cpu time spent up to now is 94.6 secs Computing kpt #: 215 total cpu time spent up to now is 94.9 secs Computing kpt #: 216 total cpu time spent up to now is 95.3 secs Computing kpt #: 217 total cpu time spent up to now is 95.7 secs Computing kpt #: 218 total cpu time spent up to now is 96.1 secs Computing kpt #: 219 total cpu time spent up to now is 96.5 secs Computing kpt #: 220 total cpu time spent up to now is 97.0 secs Computing kpt #: 221 total cpu time spent up to now is 97.4 secs Computing kpt #: 222 total cpu time spent up to now is 97.8 secs Computing kpt #: 223 total cpu time spent up to now is 98.1 secs Computing kpt #: 224 total cpu time spent up to now is 98.5 secs Computing kpt #: 225 total cpu time spent up to now is 98.8 secs Computing kpt #: 226 total cpu time spent up to now is 99.1 secs Computing kpt #: 227 total cpu time spent up to now is 99.5 secs Computing kpt #: 228 total cpu time spent up to now is 99.8 secs Computing kpt #: 229 total cpu time spent up to now is 100.2 secs Computing kpt #: 230 total cpu time spent up to now is 100.6 secs Computing kpt #: 231 total cpu time spent up to now is 101.0 secs Computing kpt #: 232 total cpu time spent up to now is 101.3 secs Computing kpt #: 233 total cpu time spent up to now is 101.6 secs Computing kpt #: 234 total cpu time spent up to now is 101.9 secs Computing kpt #: 235 total cpu time spent up to now is 102.1 secs Computing kpt #: 236 total cpu time spent up to now is 102.3 secs Computing kpt #: 237 total cpu time spent up to now is 102.6 secs Computing kpt #: 238 total cpu time spent up to now is 102.9 secs Computing kpt #: 239 total cpu time spent up to now is 103.2 secs Computing kpt #: 240 total cpu time spent up to now is 103.5 secs Computing kpt #: 241 total cpu time spent up to now is 103.9 secs Computing kpt #: 242 total cpu time spent up to now is 104.1 secs Computing kpt #: 243 total cpu time spent up to now is 104.3 secs Computing kpt #: 244 total cpu time spent up to now is 104.6 secs Computing kpt #: 245 total cpu time spent up to now is 104.8 secs Computing kpt #: 246 total cpu time spent up to now is 105.0 secs Computing kpt #: 247 total cpu time spent up to now is 105.2 secs Computing kpt #: 248 total cpu time spent up to now is 105.4 secs Computing kpt #: 249 total cpu time spent up to now is 105.6 secs Computing kpt #: 250 total cpu time spent up to now is 105.9 secs Computing kpt #: 251 total cpu time spent up to now is 106.1 secs Computing kpt #: 252 total cpu time spent up to now is 106.3 secs Computing kpt #: 253 total cpu time spent up to now is 106.5 secs Computing kpt #: 254 total cpu time spent up to now is 106.7 secs Computing kpt #: 255 total cpu time spent up to now is 107.0 secs Computing kpt #: 256 total cpu time spent up to now is 107.2 secs Computing kpt #: 257 total cpu time spent up to now is 107.4 secs Computing kpt #: 258 total cpu time spent up to now is 107.7 secs Computing kpt #: 259 total cpu time spent up to now is 107.9 secs Computing kpt #: 260 total cpu time spent up to now is 108.2 secs Computing kpt #: 261 total cpu time spent up to now is 108.4 secs Computing kpt #: 262 total cpu time spent up to now is 108.7 secs Computing kpt #: 263 total cpu time spent up to now is 108.9 secs Computing kpt #: 264 total cpu time spent up to now is 109.1 secs Computing kpt #: 265 total cpu time spent up to now is 109.3 secs Computing kpt #: 266 total cpu time spent up to now is 109.6 secs Computing kpt #: 267 total cpu time spent up to now is 109.9 secs Computing kpt #: 268 total cpu time spent up to now is 110.1 secs Computing kpt #: 269 total cpu time spent up to now is 110.3 secs Computing kpt #: 270 total cpu time spent up to now is 110.5 secs Computing kpt #: 271 total cpu time spent up to now is 110.7 secs Computing kpt #: 272 total cpu time spent up to now is 111.0 secs Computing kpt #: 273 total cpu time spent up to now is 111.2 secs Computing kpt #: 274 total cpu time spent up to now is 111.4 secs Computing kpt #: 275 total cpu time spent up to now is 111.7 secs Computing kpt #: 276 total cpu time spent up to now is 111.9 secs Computing kpt #: 277 total cpu time spent up to now is 112.2 secs Computing kpt #: 278 total cpu time spent up to now is 112.4 secs Computing kpt #: 279 total cpu time spent up to now is 112.7 secs Computing kpt #: 280 total cpu time spent up to now is 113.0 secs Computing kpt #: 281 total cpu time spent up to now is 113.3 secs Computing kpt #: 282 total cpu time spent up to now is 113.5 secs Computing kpt #: 283 total cpu time spent up to now is 113.8 secs Computing kpt #: 284 total cpu time spent up to now is 114.1 secs Computing kpt #: 285 total cpu time spent up to now is 114.4 secs Computing kpt #: 286 total cpu time spent up to now is 114.7 secs Computing kpt #: 287 total cpu time spent up to now is 114.9 secs Computing kpt #: 288 total cpu time spent up to now is 115.2 secs Computing kpt #: 289 total cpu time spent up to now is 115.4 secs Computing kpt #: 290 total cpu time spent up to now is 115.7 secs Computing kpt #: 291 total cpu time spent up to now is 115.9 secs Computing kpt #: 292 total cpu time spent up to now is 116.2 secs Computing kpt #: 293 total cpu time spent up to now is 116.4 secs Computing kpt #: 294 total cpu time spent up to now is 116.7 secs Computing kpt #: 295 total cpu time spent up to now is 116.9 secs Computing kpt #: 296 total cpu time spent up to now is 117.1 secs Computing kpt #: 297 total cpu time spent up to now is 117.3 secs Computing kpt #: 298 total cpu time spent up to now is 117.6 secs Computing kpt #: 299 total cpu time spent up to now is 117.8 secs Computing kpt #: 300 total cpu time spent up to now is 118.0 secs Computing kpt #: 301 total cpu time spent up to now is 118.1 secs Computing kpt #: 302 total cpu time spent up to now is 118.3 secs Computing kpt #: 303 total cpu time spent up to now is 118.5 secs Computing kpt #: 304 total cpu time spent up to now is 118.8 secs Computing kpt #: 305 total cpu time spent up to now is 119.0 secs Computing kpt #: 306 total cpu time spent up to now is 119.2 secs Computing kpt #: 307 total cpu time spent up to now is 119.5 secs Computing kpt #: 308 total cpu time spent up to now is 119.7 secs Computing kpt #: 309 total cpu time spent up to now is 119.9 secs Computing kpt #: 310 total cpu time spent up to now is 120.1 secs Computing kpt #: 311 total cpu time spent up to now is 120.3 secs Computing kpt #: 312 total cpu time spent up to now is 120.5 secs Computing kpt #: 313 total cpu time spent up to now is 120.7 secs Computing kpt #: 314 total cpu time spent up to now is 120.9 secs Computing kpt #: 315 total cpu time spent up to now is 121.1 secs Computing kpt #: 316 total cpu time spent up to now is 121.3 secs Computing kpt #: 317 total cpu time spent up to now is 121.5 secs Computing kpt #: 318 total cpu time spent up to now is 121.7 secs Computing kpt #: 319 total cpu time spent up to now is 121.9 secs Computing kpt #: 320 total cpu time spent up to now is 122.1 secs Computing kpt #: 321 total cpu time spent up to now is 122.2 secs Computing kpt #: 322 total cpu time spent up to now is 122.4 secs Computing kpt #: 323 total cpu time spent up to now is 122.6 secs Computing kpt #: 324 total cpu time spent up to now is 122.8 secs Computing kpt #: 325 total cpu time spent up to now is 123.0 secs Computing kpt #: 326 total cpu time spent up to now is 123.2 secs Computing kpt #: 327 total cpu time spent up to now is 123.4 secs Computing kpt #: 328 total cpu time spent up to now is 123.5 secs Computing kpt #: 329 total cpu time spent up to now is 123.7 secs Computing kpt #: 330 total cpu time spent up to now is 123.9 secs Computing kpt #: 331 total cpu time spent up to now is 124.1 secs Computing kpt #: 332 total cpu time spent up to now is 124.3 secs Computing kpt #: 333 total cpu time spent up to now is 124.5 secs Computing kpt #: 334 total cpu time spent up to now is 124.7 secs Computing kpt #: 335 total cpu time spent up to now is 124.9 secs Computing kpt #: 336 total cpu time spent up to now is 125.1 secs Computing kpt #: 337 total cpu time spent up to now is 125.4 secs Computing kpt #: 338 total cpu time spent up to now is 125.6 secs Computing kpt #: 339 total cpu time spent up to now is 125.8 secs Computing kpt #: 340 total cpu time spent up to now is 126.0 secs Computing kpt #: 341 total cpu time spent up to now is 126.3 secs Computing kpt #: 342 total cpu time spent up to now is 126.5 secs Computing kpt #: 343 total cpu time spent up to now is 126.7 secs Computing kpt #: 344 total cpu time spent up to now is 126.9 secs Computing kpt #: 345 total cpu time spent up to now is 127.1 secs Computing kpt #: 346 total cpu time spent up to now is 127.3 secs Computing kpt #: 347 total cpu time spent up to now is 127.5 secs Computing kpt #: 348 total cpu time spent up to now is 127.8 secs Computing kpt #: 349 total cpu time spent up to now is 128.0 secs Computing kpt #: 350 total cpu time spent up to now is 128.2 secs Computing kpt #: 351 total cpu time spent up to now is 128.4 secs Computing kpt #: 352 total cpu time spent up to now is 128.6 secs Computing kpt #: 353 total cpu time spent up to now is 128.9 secs Computing kpt #: 354 total cpu time spent up to now is 129.1 secs Computing kpt #: 355 total cpu time spent up to now is 129.3 secs Computing kpt #: 356 total cpu time spent up to now is 129.5 secs Computing kpt #: 357 total cpu time spent up to now is 129.8 secs Computing kpt #: 358 total cpu time spent up to now is 130.0 secs Computing kpt #: 359 total cpu time spent up to now is 130.2 secs Computing kpt #: 360 total cpu time spent up to now is 130.4 secs Computing kpt #: 361 total cpu time spent up to now is 130.7 secs Computing kpt #: 362 total cpu time spent up to now is 131.0 secs Computing kpt #: 363 total cpu time spent up to now is 131.3 secs Computing kpt #: 364 total cpu time spent up to now is 131.5 secs Computing kpt #: 365 total cpu time spent up to now is 131.7 secs Computing kpt #: 366 total cpu time spent up to now is 132.0 secs Computing kpt #: 367 total cpu time spent up to now is 132.2 secs Computing kpt #: 368 total cpu time spent up to now is 132.4 secs Computing kpt #: 369 total cpu time spent up to now is 132.7 secs Computing kpt #: 370 total cpu time spent up to now is 132.9 secs Computing kpt #: 371 total cpu time spent up to now is 133.1 secs Computing kpt #: 372 total cpu time spent up to now is 133.4 secs Computing kpt #: 373 total cpu time spent up to now is 133.6 secs Computing kpt #: 374 total cpu time spent up to now is 133.8 secs Computing kpt #: 375 total cpu time spent up to now is 134.0 secs Computing kpt #: 376 total cpu time spent up to now is 134.3 secs Computing kpt #: 377 total cpu time spent up to now is 134.5 secs Computing kpt #: 378 total cpu time spent up to now is 134.7 secs Computing kpt #: 379 total cpu time spent up to now is 134.9 secs Computing kpt #: 380 total cpu time spent up to now is 135.1 secs Computing kpt #: 381 total cpu time spent up to now is 135.3 secs Computing kpt #: 382 total cpu time spent up to now is 135.5 secs Computing kpt #: 383 total cpu time spent up to now is 135.7 secs Computing kpt #: 384 total cpu time spent up to now is 136.0 secs Computing kpt #: 385 total cpu time spent up to now is 136.2 secs Computing kpt #: 386 total cpu time spent up to now is 136.4 secs Computing kpt #: 387 total cpu time spent up to now is 136.6 secs Computing kpt #: 388 total cpu time spent up to now is 137.0 secs Computing kpt #: 389 total cpu time spent up to now is 137.3 secs Computing kpt #: 390 total cpu time spent up to now is 137.5 secs Computing kpt #: 391 total cpu time spent up to now is 137.7 secs Computing kpt #: 392 total cpu time spent up to now is 137.9 secs Computing kpt #: 393 total cpu time spent up to now is 138.2 secs Computing kpt #: 394 total cpu time spent up to now is 138.4 secs Computing kpt #: 395 total cpu time spent up to now is 138.6 secs Computing kpt #: 396 total cpu time spent up to now is 138.8 secs Computing kpt #: 397 total cpu time spent up to now is 139.0 secs Computing kpt #: 398 total cpu time spent up to now is 139.3 secs Computing kpt #: 399 total cpu time spent up to now is 139.5 secs Computing kpt #: 400 total cpu time spent up to now is 139.7 secs Computing kpt #: 401 total cpu time spent up to now is 139.9 secs Computing kpt #: 402 total cpu time spent up to now is 140.1 secs Computing kpt #: 403 total cpu time spent up to now is 140.4 secs Computing kpt #: 404 total cpu time spent up to now is 140.6 secs Computing kpt #: 405 total cpu time spent up to now is 140.8 secs Computing kpt #: 406 total cpu time spent up to now is 141.0 secs Computing kpt #: 407 total cpu time spent up to now is 141.2 secs Computing kpt #: 408 total cpu time spent up to now is 141.5 secs Computing kpt #: 409 total cpu time spent up to now is 141.7 secs Computing kpt #: 410 total cpu time spent up to now is 141.9 secs Computing kpt #: 411 total cpu time spent up to now is 142.1 secs Computing kpt #: 412 total cpu time spent up to now is 142.3 secs Computing kpt #: 413 total cpu time spent up to now is 142.5 secs Computing kpt #: 414 total cpu time spent up to now is 142.8 secs Computing kpt #: 415 total cpu time spent up to now is 143.1 secs Computing kpt #: 416 total cpu time spent up to now is 143.4 secs Computing kpt #: 417 total cpu time spent up to now is 143.6 secs Computing kpt #: 418 total cpu time spent up to now is 143.9 secs Computing kpt #: 419 total cpu time spent up to now is 144.1 secs Computing kpt #: 420 total cpu time spent up to now is 144.3 secs Computing kpt #: 421 total cpu time spent up to now is 144.6 secs Computing kpt #: 422 total cpu time spent up to now is 144.9 secs Computing kpt #: 423 total cpu time spent up to now is 145.0 secs Computing kpt #: 424 total cpu time spent up to now is 145.2 secs Computing kpt #: 425 total cpu time spent up to now is 145.4 secs Computing kpt #: 426 total cpu time spent up to now is 145.6 secs Computing kpt #: 427 total cpu time spent up to now is 145.8 secs Computing kpt #: 428 total cpu time spent up to now is 146.0 secs Computing kpt #: 429 total cpu time spent up to now is 146.2 secs Computing kpt #: 430 total cpu time spent up to now is 146.4 secs Computing kpt #: 431 total cpu time spent up to now is 146.5 secs Computing kpt #: 432 total cpu time spent up to now is 146.7 secs Computing kpt #: 433 total cpu time spent up to now is 146.9 secs Computing kpt #: 434 total cpu time spent up to now is 147.1 secs Computing kpt #: 435 total cpu time spent up to now is 147.3 secs Computing kpt #: 436 total cpu time spent up to now is 147.5 secs Computing kpt #: 437 total cpu time spent up to now is 147.6 secs Computing kpt #: 438 total cpu time spent up to now is 147.8 secs Computing kpt #: 439 total cpu time spent up to now is 148.0 secs Computing kpt #: 440 total cpu time spent up to now is 148.2 secs Computing kpt #: 441 total cpu time spent up to now is 148.4 secs Computing kpt #: 442 total cpu time spent up to now is 148.6 secs Computing kpt #: 443 total cpu time spent up to now is 148.8 secs Computing kpt #: 444 total cpu time spent up to now is 149.0 secs Computing kpt #: 445 total cpu time spent up to now is 149.2 secs Computing kpt #: 446 total cpu time spent up to now is 149.5 secs ethr = 5.56E-11, avg # of iterations = 15.1 total cpu time spent up to now is 149.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1037 PWs) bands (ev): -46.1781 -46.1781 -21.8856 -21.8856 -19.3740 -19.3740 -19.3740 -19.3740 2.8906 2.8906 10.1248 10.1248 10.1248 10.1248 10.1729 10.1729 15.1414 15.1414 15.1414 15.1414 18.8745 18.8745 22.5319 22.5319 22.5319 22.5319 k = 0.0075-0.0043 0.0061 ( 1037 PWs) bands (ev): -46.1781 -46.1781 -21.8857 -21.8857 -19.3741 -19.3741 -19.3740 -19.3740 2.8918 2.8918 10.1241 10.1241 10.1259 10.1259 10.1731 10.1731 15.1388 15.1388 15.1426 15.1426 18.8778 18.8778 22.5294 22.5294 22.5332 22.5332 k = 0.0149-0.0086 0.0122 ( 1034 PWs) bands (ev): -46.1779 -46.1779 -21.8859 -21.8859 -19.3746 -19.3746 -19.3743 -19.3743 2.8954 2.8954 10.1220 10.1220 10.1288 10.1288 10.1741 10.1741 15.1329 15.1329 15.1445 15.1445 18.8876 18.8876 22.5256 22.5256 22.5333 22.5333 k = 0.0224-0.0129 0.0183 ( 1030 PWs) bands (ev): -46.1777 -46.1777 -21.8864 -21.8864 -19.3754 -19.3754 -19.3746 -19.3746 2.9014 2.9014 10.1177 10.1177 10.1335 10.1335 10.1765 10.1765 15.1232 15.1232 15.1475 15.1475 18.9038 18.9038 22.5205 22.5205 22.5323 22.5323 k = 0.0299-0.0172 0.0244 ( 1022 PWs) bands (ev): -46.1772 -46.1772 -21.8869 -21.8869 -19.3765 -19.3765 -19.3751 -19.3751 2.9099 2.9099 10.1107 10.1107 10.1402 10.1402 10.1811 10.1811 15.1097 15.1097 15.1517 15.1517 18.9266 18.9266 22.5140 22.5140 22.5300 22.5300 k = 0.0373-0.0215 0.0305 ( 1022 PWs) bands (ev): -46.1770 -46.1770 -21.8878 -21.8878 -19.3781 -19.3781 -19.3758 -19.3758 2.9207 2.9207 10.1006 10.1006 10.1488 10.1488 10.1880 10.1880 15.0925 15.0925 15.1571 15.1571 18.9556 18.9556 22.5059 22.5059 22.5264 22.5264 k = 0.0448-0.0259 0.0366 ( 1014 PWs) bands (ev): -46.1765 -46.1765 -21.8888 -21.8888 -19.3799 -19.3799 -19.3766 -19.3766 2.9339 2.9339 10.0875 10.0875 10.1593 10.1593 10.1974 10.1974 15.0716 15.0716 15.1637 15.1637 18.9910 18.9910 22.4960 22.4960 22.5213 22.5213 k = 0.0522-0.0302 0.0427 ( 1014 PWs) bands (ev): -46.1762 -46.1762 -21.8900 -21.8900 -19.3820 -19.3820 -19.3776 -19.3776 2.9494 2.9494 10.0716 10.0716 10.1717 10.1717 10.2092 10.2092 15.0472 15.0472 15.1714 15.1714 19.0325 19.0325 22.4843 22.4843 22.5146 22.5146 k = 0.0597-0.0345 0.0487 ( 1014 PWs) bands (ev): -46.1758 -46.1758 -21.8914 -21.8914 -19.3845 -19.3845 -19.3788 -19.3788 2.9672 2.9672 10.0531 10.0531 10.1860 10.1860 10.2232 10.2232 15.0193 15.0193 15.1803 15.1803 19.0799 19.0799 22.4704 22.4704 22.5058 22.5058 k = 0.0672-0.0388 0.0548 ( 1014 PWs) bands (ev): -46.1754 -46.1754 -21.8930 -21.8930 -19.3874 -19.3874 -19.3801 -19.3801 2.9873 2.9873 10.0323 10.0323 10.2021 10.2021 10.2394 10.2394 14.9881 14.9881 15.1904 15.1904 19.1333 19.1333 22.4543 22.4543 22.4947 22.4947 k = 0.0746-0.0431 0.0609 ( 1014 PWs) bands (ev): -46.1749 -46.1749 -21.8948 -21.8948 -19.3905 -19.3905 -19.3816 -19.3816 3.0095 3.0095 10.0093 10.0093 10.2202 10.2202 10.2577 10.2577 14.9537 14.9537 15.2016 15.2016 19.1923 19.1923 22.4357 22.4357 22.4811 22.4811 k = 0.0821-0.0474 0.0670 ( 1014 PWs) bands (ev): -46.1744 -46.1744 -21.8967 -21.8967 -19.3939 -19.3939 -19.3832 -19.3832 3.0340 3.0340 9.9843 9.9843 10.2402 10.2402 10.2780 10.2780 14.9164 14.9164 15.2139 15.2139 19.2567 19.2567 22.4143 22.4143 22.4645 22.4645 k = 0.0896-0.0517 0.0731 ( 1014 PWs) bands (ev): -46.1739 -46.1739 -21.8988 -21.8988 -19.3976 -19.3976 -19.3849 -19.3849 3.0605 3.0605 9.9576 9.9576 10.2620 10.2620 10.3003 10.3003 14.8762 14.8762 15.2273 15.2273 19.3265 19.3265 22.3900 22.3900 22.4448 22.4448 k = 0.0970-0.0560 0.0792 ( 1014 PWs) bands (ev): -46.1733 -46.1733 -21.9011 -21.9011 -19.4016 -19.4016 -19.3868 -19.3868 3.0890 3.0890 9.9292 9.9292 10.2857 10.2857 10.3246 10.3246 14.8333 14.8333 15.2418 15.2418 19.4013 19.4013 22.3625 22.3625 22.4217 22.4217 k = 0.1045-0.0603 0.0853 ( 1014 PWs) bands (ev): -46.1726 -46.1726 -21.9035 -21.9035 -19.4059 -19.4059 -19.3888 -19.3888 3.1195 3.1195 9.8995 9.8995 10.3113 10.3113 10.3509 10.3509 14.7881 14.7881 15.2574 15.2574 19.4809 19.4809 22.3315 22.3315 22.3950 22.3950 k = 0.1119-0.0646 0.0914 ( 1006 PWs) bands (ev): -46.1717 -46.1717 -21.9060 -21.9060 -19.4103 -19.4103 -19.3909 -19.3909 3.1519 3.1519 9.8684 9.8684 10.3387 10.3387 10.3791 10.3791 14.7406 14.7406 15.2739 15.2739 19.5651 19.5651 22.2970 22.2970 22.3644 22.3644 k = 0.1194-0.0689 0.0975 ( 1010 PWs) bands (ev): -46.1711 -46.1711 -21.9087 -21.9087 -19.4151 -19.4151 -19.3932 -19.3932 3.1861 3.1861 9.8363 9.8363 10.3680 10.3680 10.4092 10.4092 14.6911 14.6911 15.2915 15.2915 19.6535 19.6535 22.2585 22.2585 22.3298 22.3298 k = 0.1269-0.0732 0.1036 ( 1010 PWs) bands (ev): -46.1704 -46.1704 -21.9116 -21.9116 -19.4201 -19.4201 -19.3955 -19.3955 3.2221 3.2221 9.8034 9.8034 10.3991 10.3991 10.4412 10.4412 14.6398 14.6398 15.3101 15.3101 19.7459 19.7459 22.2160 22.2160 22.2911 22.2911 k = 0.1343-0.0776 0.1097 ( 1010 PWs) bands (ev): -46.1696 -46.1696 -21.9146 -21.9146 -19.4254 -19.4254 -19.3980 -19.3980 3.2597 3.2597 9.7696 9.7696 10.4321 10.4321 10.4751 10.4751 14.5869 14.5869 15.3297 15.3297 19.8419 19.8419 22.1692 22.1692 22.2481 22.2481 k = 0.1418-0.0819 0.1158 ( 1010 PWs) bands (ev): -46.1688 -46.1688 -21.9177 -21.9177 -19.4308 -19.4308 -19.4006 -19.4006 3.2988 3.2988 9.7354 9.7354 10.4669 10.4669 10.5109 10.5109 14.5327 14.5327 15.3501 15.3501 19.9411 19.9411 22.1181 22.1181 22.2005 22.2005 k = 0.1493-0.0862 0.1219 ( 1018 PWs) bands (ev): -46.1682 -46.1682 -21.9210 -21.9210 -19.4365 -19.4365 -19.4034 -19.4034 3.3394 3.3394 9.7007 9.7007 10.5034 10.5034 10.5486 10.5486 14.4775 14.4775 15.3715 15.3715 20.0431 20.0431 22.0624 22.0624 22.1484 22.1484 k = 0.1567-0.0905 0.1280 ( 1018 PWs) bands (ev): -46.1673 -46.1673 -21.9244 -21.9244 -19.4424 -19.4424 -19.4061 -19.4061 3.3813 3.3813 9.6658 9.6658 10.5418 10.5418 10.5880 10.5880 14.4214 14.4214 15.3937 15.3937 20.1472 20.1472 22.0021 22.0021 22.0916 22.0916 k = 0.1642-0.0948 0.1341 ( 1018 PWs) bands (ev): -46.1664 -46.1664 -21.9279 -21.9279 -19.4483 -19.4483 -19.4090 -19.4090 3.4244 3.4244 9.6309 9.6309 10.5819 10.5819 10.6293 10.6293 14.3647 14.3647 15.4167 15.4167 20.2530 20.2530 21.9372 21.9372 22.0300 22.0300 k = 0.1716-0.0991 0.1401 ( 1018 PWs) bands (ev): -46.1655 -46.1655 -21.9314 -21.9314 -19.4545 -19.4545 -19.4120 -19.4120 3.4687 3.4687 9.5960 9.5960 10.6238 10.6238 10.6724 10.6724 14.3078 14.3078 15.4406 15.4406 20.3594 20.3594 21.8677 21.8677 21.9637 21.9637 k = 0.1791-0.1034 0.1462 ( 1018 PWs) bands (ev): -46.1645 -46.1645 -21.9350 -21.9350 -19.4608 -19.4608 -19.4150 -19.4150 3.5139 3.5139 9.5613 9.5613 10.6674 10.6674 10.7172 10.7172 14.2507 14.2507 15.4651 15.4651 20.4656 20.4656 21.7936 21.7936 21.8925 21.8925 k = 0.1866-0.1077 0.1523 ( 1018 PWs) bands (ev): -46.1635 -46.1635 -21.9388 -21.9388 -19.4672 -19.4672 -19.4181 -19.4181 3.5600 3.5600 9.5269 9.5269 10.7128 10.7128 10.7638 10.7638 14.1938 14.1938 15.4904 15.4904 20.5699 20.5699 21.7152 21.7152 21.8166 21.8166 k = 0.1940-0.1120 0.1584 ( 1018 PWs) bands (ev): -46.1625 -46.1625 -21.9426 -21.9426 -19.4737 -19.4737 -19.4212 -19.4212 3.6069 3.6069 9.4931 9.4931 10.7598 10.7598 10.8121 10.8121 14.1373 14.1373 15.5163 15.5163 20.6705 20.6705 21.6326 21.6326 21.7360 21.7360 k = 0.2015-0.1163 0.1645 ( 1026 PWs) bands (ev): -46.1618 -46.1618 -21.9465 -21.9465 -19.4804 -19.4804 -19.4245 -19.4245 3.6544 3.6544 9.4598 9.4598 10.8084 10.8084 10.8621 10.8621 14.0815 14.0815 15.5428 15.5428 20.7645 20.7645 21.5462 21.5462 21.6509 21.6509 k = 0.2090-0.1206 0.1706 ( 1018 PWs) bands (ev): -46.1605 -46.1605 -21.9503 -21.9503 -19.4870 -19.4870 -19.4277 -19.4277 3.7023 3.7023 9.4273 9.4273 10.8587 10.8587 10.9137 10.9137 14.0266 14.0266 15.5699 15.5699 20.8482 20.8482 21.4566 21.4566 21.5613 21.5613 k = 0.2164-0.1249 0.1767 ( 1026 PWs) bands (ev): -46.1597 -46.1597 -21.9544 -21.9544 -19.4939 -19.4939 -19.4310 -19.4310 3.7506 3.7506 9.3955 9.3955 10.9106 10.9106 10.9669 10.9669 13.9729 13.9729 15.5975 15.5975 20.9163 20.9163 21.3651 21.3651 21.4676 21.4676 k = 0.2239-0.1293 0.1828 ( 1030 PWs) bands (ev): -46.1588 -46.1588 -21.9585 -21.9585 -19.5007 -19.5007 -19.4343 -19.4343 3.7991 3.7991 9.3646 9.3646 10.9640 10.9640 11.0217 11.0217 13.9206 13.9206 15.6255 15.6255 20.9617 20.9617 21.2738 21.2738 21.3698 21.3698 k = 0.2313-0.1336 0.1889 ( 1022 PWs) bands (ev): -46.1575 -46.1575 -21.9624 -21.9624 -19.5074 -19.5074 -19.4377 -19.4377 3.8477 3.8477 9.3348 9.3348 11.0190 11.0190 11.0781 11.0781 13.8699 13.8699 15.6540 15.6540 20.9748 20.9748 21.1884 21.1884 21.2683 21.2683 k = 0.2388-0.1379 0.1950 ( 1022 PWs) bands (ev): -46.1564 -46.1564 -21.9665 -21.9665 -19.5143 -19.5143 -19.4410 -19.4410 3.8962 3.8962 9.3060 9.3060 11.0754 11.0754 11.1359 11.1359 13.8211 13.8211 15.6828 15.6828 20.9438 20.9438 21.1179 21.1179 21.1634 21.1634 k = 0.2463-0.1422 0.2011 ( 1022 PWs) bands (ev): -46.1553 -46.1553 -21.9705 -21.9705 -19.5211 -19.5211 -19.4444 -19.4444 3.9445 3.9445 9.2782 9.2782 11.1333 11.1333 11.1952 11.1952 13.7744 13.7744 15.7119 15.7119 20.8707 20.8707 21.0530 21.0530 21.0639 21.0639 k = 0.2537-0.1465 0.2072 ( 1022 PWs) bands (ev): -46.1542 -46.1542 -21.9746 -21.9746 -19.5279 -19.5279 -19.4478 -19.4478 3.9924 3.9924 9.2517 9.2517 11.1925 11.1925 11.2558 11.2558 13.7300 13.7300 15.7412 15.7412 20.7740 20.7740 20.9433 20.9433 21.0047 21.0047 k = 0.2612-0.1508 0.2133 ( 1022 PWs) bands (ev): -46.1532 -46.1532 -21.9787 -21.9787 -19.5348 -19.5348 -19.4511 -19.4511 4.0399 4.0399 9.2264 9.2264 11.2530 11.2530 11.3177 11.3177 13.6881 13.6881 15.7707 15.7707 20.6666 20.6666 20.8295 20.8295 20.9365 20.9365 k = 0.2687-0.1551 0.2194 ( 1022 PWs) bands (ev): -46.1521 -46.1521 -21.9827 -21.9827 -19.5415 -19.5415 -19.4545 -19.4545 4.0867 4.0867 9.2022 9.2022 11.3148 11.3148 11.3809 11.3809 13.6489 13.6489 15.8003 15.8003 20.5535 20.5535 20.7134 20.7134 20.8569 20.8569 k = 0.2761-0.1594 0.2255 ( 1022 PWs) bands (ev): -46.1510 -46.1510 -21.9867 -21.9867 -19.5482 -19.5482 -19.4578 -19.4578 4.1327 4.1327 9.1794 9.1794 11.3778 11.3778 11.4453 11.4453 13.6127 13.6127 15.8299 15.8299 20.4370 20.4370 20.5952 20.5952 20.7670 20.7670 k = 0.2836-0.1637 0.2315 ( 1030 PWs) bands (ev): -46.1502 -46.1502 -21.9908 -21.9908 -19.5550 -19.5550 -19.4612 -19.4612 4.1779 4.1779 9.1578 9.1578 11.4419 11.4419 11.5107 11.5107 13.5796 13.5796 15.8595 15.8595 20.3181 20.3181 20.4753 20.4753 20.6685 20.6685 k = 0.2910-0.1680 0.2376 ( 1030 PWs) bands (ev): -46.1492 -46.1492 -21.9948 -21.9948 -19.5615 -19.5615 -19.4645 -19.4645 4.2221 4.2221 9.1375 9.1375 11.5070 11.5070 11.5772 11.5772 13.5497 13.5497 15.8891 15.8891 20.1974 20.1974 20.3540 20.3540 20.5629 20.5629 k = 0.2985-0.1723 0.2437 ( 1030 PWs) bands (ev): -46.1482 -46.1482 -21.9987 -21.9987 -19.5680 -19.5680 -19.4677 -19.4677 4.2652 4.2652 9.1184 9.1184 11.5730 11.5730 11.6445 11.6445 13.5232 13.5232 15.9184 15.9184 20.0756 20.0756 20.2317 20.2317 20.4513 20.4513 k = 0.3060-0.1767 0.2498 ( 1030 PWs) bands (ev): -46.1471 -46.1471 -22.0025 -22.0025 -19.5743 -19.5743 -19.4709 -19.4709 4.3071 4.3071 9.1006 9.1006 11.6398 11.6398 11.7127 11.7127 13.5002 13.5002 15.9475 15.9475 19.9531 19.9531 20.1087 20.1087 20.3350 20.3350 k = 0.3134-0.1810 0.2559 ( 1030 PWs) bands (ev): -46.1461 -46.1461 -22.0063 -22.0063 -19.5805 -19.5805 -19.4740 -19.4740 4.3477 4.3477 9.0840 9.0840 11.7074 11.7074 11.7815 11.7815 13.4809 13.4809 15.9764 15.9764 19.8303 19.8303 19.9853 19.9853 20.2148 20.2148 k = 0.3209-0.1853 0.2620 ( 1030 PWs) bands (ev): -46.1452 -46.1452 -22.0100 -22.0100 -19.5866 -19.5866 -19.4771 -19.4771 4.3869 4.3869 9.0685 9.0685 11.7755 11.7755 11.8509 11.8509 13.4653 13.4653 16.0048 16.0048 19.7075 19.7075 19.8618 19.8618 20.0915 20.0915 k = 0.3284-0.1896 0.2681 ( 1030 PWs) bands (ev): -46.1442 -46.1442 -22.0136 -22.0136 -19.5925 -19.5925 -19.4801 -19.4801 4.4246 4.4246 9.0542 9.0542 11.8441 11.8441 11.9207 11.9207 13.4535 13.4535 16.0328 16.0328 19.5851 19.5851 19.7386 19.7386 19.9659 19.9659 k = 0.3358-0.1939 0.2742 ( 1030 PWs) bands (ev): -46.1433 -46.1433 -22.0171 -22.0171 -19.5983 -19.5983 -19.4830 -19.4830 4.4607 4.4607 9.0409 9.0409 11.9130 11.9130 11.9907 11.9907 13.4455 13.4455 16.0603 16.0603 19.4635 19.4635 19.6160 19.6160 19.8387 19.8387 k = 0.3433-0.1982 0.2803 ( 1030 PWs) bands (ev): -46.1424 -46.1424 -22.0205 -22.0205 -19.6039 -19.6039 -19.4859 -19.4859 4.4953 4.4953 9.0286 9.0286 11.9820 11.9820 12.0608 12.0608 13.4413 13.4413 16.0872 16.0872 19.3430 19.3430 19.4943 19.4943 19.7106 19.7106 k = 0.3507-0.2025 0.2864 ( 1030 PWs) bands (ev): -46.1415 -46.1415 -22.0239 -22.0239 -19.6093 -19.6093 -19.4886 -19.4886 4.5282 4.5282 9.0174 9.0174 12.0510 12.0510 12.1309 12.1309 13.4408 13.4408 16.1135 16.1135 19.2240 19.2240 19.3739 19.3739 19.5820 19.5820 k = 0.3582-0.2068 0.2925 ( 1030 PWs) bands (ev): -46.1406 -46.1406 -22.0271 -22.0271 -19.6145 -19.6145 -19.4913 -19.4913 4.5595 4.5595 9.0070 9.0070 12.1198 12.1198 12.2006 12.2006 13.4441 13.4441 16.1390 16.1390 19.1068 19.1068 19.2551 19.2551 19.4538 19.4538 k = 0.3657-0.2111 0.2986 ( 1030 PWs) bands (ev): -46.1398 -46.1398 -22.0301 -22.0301 -19.6195 -19.6195 -19.4938 -19.4938 4.5891 4.5891 8.9974 8.9974 12.1882 12.1882 12.2697 12.2697 13.4510 13.4510 16.1637 16.1637 18.9918 18.9918 19.1383 19.1383 19.3264 19.3264 k = 0.3731-0.2154 0.3047 ( 1030 PWs) bands (ev): -46.1390 -46.1390 -22.0331 -22.0331 -19.6243 -19.6243 -19.4963 -19.4963 4.6169 4.6169 8.9887 8.9887 12.2558 12.2558 12.3381 12.3381 13.4612 13.4612 16.1875 16.1875 18.8794 18.8794 19.0238 19.0238 19.2005 19.2005 k = 0.3806-0.2197 0.3108 ( 1034 PWs) bands (ev): -46.1384 -46.1384 -22.0360 -22.0360 -19.6289 -19.6289 -19.4987 -19.4987 4.6430 4.6430 8.9807 8.9807 12.3225 12.3225 12.4054 12.4054 13.4747 13.4747 16.2104 16.2104 18.7699 18.7699 18.9119 18.9119 19.0768 19.0768 k = 0.3881-0.2240 0.3168 ( 1034 PWs) bands (ev): -46.1377 -46.1377 -22.0387 -22.0387 -19.6332 -19.6332 -19.5009 -19.5009 4.6673 4.6673 8.9734 8.9734 12.3880 12.3880 12.4714 12.4714 13.4911 13.4911 16.2323 16.2323 18.6637 18.6637 18.8032 18.8032 18.9557 18.9557 k = 0.3955-0.2284 0.3229 ( 1034 PWs) bands (ev): -46.1370 -46.1370 -22.0412 -22.0412 -19.6373 -19.6373 -19.5030 -19.5030 4.6900 4.6900 8.9667 8.9667 12.4520 12.4520 12.5358 12.5358 13.5101 13.5101 16.2531 16.2531 18.5612 18.5612 18.6979 18.6979 18.8381 18.8381 k = 0.4030-0.2327 0.3290 ( 1034 PWs) bands (ev): -46.1364 -46.1364 -22.0436 -22.0436 -19.6412 -19.6412 -19.5050 -19.5050 4.7109 4.7109 8.9606 8.9606 12.5142 12.5142 12.5982 12.5982 13.5314 13.5314 16.2728 16.2728 18.4628 18.4628 18.5965 18.5965 18.7247 18.7247 k = 0.4104-0.2370 0.3351 ( 1042 PWs) bands (ev): -46.1360 -46.1360 -22.0459 -22.0459 -19.6448 -19.6448 -19.5069 -19.5069 4.7301 4.7301 8.9551 8.9551 12.5742 12.5742 12.6582 12.6582 13.5545 13.5545 16.2913 16.2913 18.3690 18.3690 18.4994 18.4994 18.6160 18.6160 k = 0.4179-0.2413 0.3412 ( 1042 PWs) bands (ev): -46.1355 -46.1355 -22.0480 -22.0480 -19.6482 -19.6482 -19.5087 -19.5087 4.7477 4.7477 8.9501 8.9501 12.6316 12.6316 12.7155 12.7155 13.5790 13.5790 16.3085 16.3085 18.2801 18.2801 18.4070 18.4070 18.5128 18.5128 k = 0.4254-0.2456 0.3473 ( 1042 PWs) bands (ev): -46.1350 -46.1350 -22.0499 -22.0499 -19.6512 -19.6512 -19.5102 -19.5102 4.7636 4.7636 8.9456 8.9456 12.6861 12.6861 12.7698 12.7698 13.6044 13.6044 16.3244 16.3244 18.1966 18.1966 18.3198 18.3198 18.4159 18.4159 k = 0.4328-0.2499 0.3534 ( 1046 PWs) bands (ev): -46.1346 -46.1346 -22.0517 -22.0517 -19.6541 -19.6541 -19.5117 -19.5117 4.7779 4.7779 8.9416 8.9416 12.7372 12.7372 12.8205 12.8205 13.6300 13.6300 16.3389 16.3389 18.1189 18.1189 18.2384 18.2384 18.3260 18.3260 k = 0.4403-0.2542 0.3595 ( 1042 PWs) bands (ev): -46.1341 -46.1341 -22.0532 -22.0532 -19.6565 -19.6565 -19.5130 -19.5130 4.7906 4.7906 8.9380 8.9380 12.7845 12.7845 12.8673 12.8673 13.6553 13.6553 16.3521 16.3521 18.0474 18.0474 18.1632 18.1632 18.2439 18.2439 k = 0.4478-0.2585 0.3656 ( 1034 PWs) bands (ev): -46.1335 -46.1335 -22.0545 -22.0545 -19.6586 -19.6586 -19.5141 -19.5141 4.8017 4.8017 8.9349 8.9349 12.8276 12.8276 12.9097 12.9097 13.6797 13.6797 16.3637 16.3637 17.9826 17.9826 18.0949 18.0949 18.1700 18.1700 k = 0.4552-0.2628 0.3717 ( 1042 PWs) bands (ev): -46.1334 -46.1334 -22.0558 -22.0558 -19.6607 -19.6607 -19.5151 -19.5151 4.8113 4.8113 8.9322 8.9322 12.8661 12.8661 12.9475 12.9475 13.7025 13.7025 16.3739 16.3739 17.9249 17.9249 18.0341 18.0341 18.1050 18.1050 k = 0.4627-0.2671 0.3778 ( 1034 PWs) bands (ev): -46.1328 -46.1328 -22.0567 -22.0567 -19.6622 -19.6622 -19.5159 -19.5159 4.8194 4.8194 8.9300 8.9300 12.8995 12.8995 12.9802 12.9802 13.7231 13.7231 16.3826 16.3826 17.8749 17.8749 17.9815 17.9815 18.0494 18.0494 k = 0.4701-0.2714 0.3839 ( 1034 PWs) bands (ev): -46.1326 -46.1326 -22.0576 -22.0576 -19.6635 -19.6635 -19.5166 -19.5166 4.8259 4.8259 8.9281 8.9281 12.9274 12.9274 13.0074 13.0074 13.7408 13.7408 16.3898 16.3898 17.8330 17.8330 17.9377 17.9377 18.0033 18.0033 k = 0.4776-0.2757 0.3900 ( 1034 PWs) bands (ev): -46.1324 -46.1324 -22.0582 -22.0582 -19.6646 -19.6646 -19.5172 -19.5172 4.8310 4.8310 8.9267 8.9267 12.9496 12.9496 13.0289 13.0289 13.7553 13.7553 16.3954 16.3954 17.7998 17.7998 17.9031 17.9031 17.9672 17.9672 k = 0.4851-0.2801 0.3961 ( 1034 PWs) bands (ev): -46.1323 -46.1323 -22.0587 -22.0587 -19.6653 -19.6653 -19.5176 -19.5176 4.8346 4.8346 8.9257 8.9257 12.9656 12.9656 13.0445 13.0445 13.7660 13.7660 16.3994 16.3994 17.7757 17.7757 17.8782 17.8782 17.9412 17.9412 k = 0.4925-0.2844 0.4022 ( 1034 PWs) bands (ev): -46.1322 -46.1322 -22.0590 -22.0590 -19.6658 -19.6658 -19.5178 -19.5178 4.8368 4.8368 8.9250 8.9250 12.9753 12.9753 13.0539 13.0539 13.7725 13.7725 16.4018 16.4018 17.7610 17.7610 17.8631 17.8631 17.9256 17.9256 k = 0.5000-0.2887 0.4082 ( 1034 PWs) bands (ev): -46.1322 -46.1322 -22.0591 -22.0591 -19.6659 -19.6659 -19.5179 -19.5179 4.8375 4.8375 8.9248 8.9248 12.9786 12.9786 13.0570 13.0570 13.7747 13.7747 16.4026 16.4026 17.7561 17.7561 17.8581 17.8581 17.9204 17.9204 k = 0.5000-0.2887 0.4082 ( 1034 PWs) bands (ev): -46.1322 -46.1322 -22.0591 -22.0591 -19.6659 -19.6659 -19.5179 -19.5179 4.8375 4.8375 8.9248 8.9248 12.9786 12.9786 13.0570 13.0570 13.7747 13.7747 16.4026 16.4026 17.7561 17.7561 17.8581 17.8581 17.9204 17.9204 k = 0.5000-0.2802 0.4143 ( 1034 PWs) bands (ev): -46.1322 -46.1322 -22.0598 -22.0584 -19.6669 -19.6649 -19.5180 -19.5180 4.8351 4.8400 8.9260 8.9267 12.9716 12.9827 13.0553 13.0556 13.7669 13.7840 16.3942 16.4057 17.6735 17.7682 17.8532 17.8611 17.9121 18.0106 k = 0.5000-0.2717 0.4203 ( 1034 PWs) bands (ev): -46.1322 -46.1322 -22.0604 -22.0577 -19.6677 -19.6638 -19.5181 -19.5181 4.8329 4.8427 8.9301 8.9314 12.9619 12.9837 13.0505 13.0512 13.7606 13.7947 16.3804 16.4036 17.5864 17.6874 17.8610 17.8658 17.9937 18.1134 k = 0.5000-0.2632 0.4263 ( 1034 PWs) bands (ev): -46.1322 -46.1322 -22.0611 -22.0570 -19.6684 -19.6626 -19.5184 -19.5184 4.8309 4.8456 8.9372 8.9392 12.9496 12.9814 13.0426 13.0439 13.7560 13.8065 16.3611 16.3963 17.5025 17.5983 17.8692 17.8734 18.0928 18.2200 k = 0.5000-0.2547 0.4323 ( 1034 PWs) bands (ev): -46.1322 -46.1322 -22.0618 -22.0562 -19.6691 -19.6613 -19.5189 -19.5188 4.8290 4.8485 8.9472 8.9499 12.9350 12.9757 13.0317 13.0339 13.7531 13.8192 16.3359 16.3834 17.4241 17.5122 17.8796 17.8839 18.1964 18.3282 k = 0.5000-0.2462 0.4383 ( 1034 PWs) bands (ev): -46.1322 -46.1322 -22.0624 -22.0555 -19.6696 -19.6599 -19.5194 -19.5194 4.8273 4.8516 8.9602 8.9635 12.9181 12.9664 13.0177 13.0216 13.7518 13.8328 16.3048 16.3649 17.3522 17.4316 17.8926 17.8972 18.3018 18.4373 k = 0.5000-0.2377 0.4443 ( 1032 PWs) bands (ev): -46.1322 -46.1322 -22.0630 -22.0548 -19.6700 -19.6584 -19.5201 -19.5199 4.8258 4.8549 8.9760 8.9800 12.8990 12.9531 13.0009 13.0072 13.7520 13.8470 16.2677 16.3404 17.2876 17.3576 17.9083 17.9131 18.4080 18.5467 k = 0.5000-0.2292 0.4503 ( 1036 PWs) bands (ev): -46.1323 -46.1323 -22.0637 -22.0541 -19.6704 -19.6568 -19.5210 -19.5207 4.8244 4.8582 8.9947 8.9994 12.8779 12.9356 12.9814 12.9912 13.7537 13.8615 16.2248 16.3099 17.2305 17.2909 17.9265 17.9315 18.5143 18.6557 k = 0.5000-0.2208 0.4563 ( 1034 PWs) bands (ev): -46.1322 -46.1322 -22.0643 -22.0534 -19.6707 -19.6551 -19.5218 -19.5215 4.8232 4.8616 9.0161 9.0216 12.8546 12.9139 12.9594 12.9738 13.7566 13.8764 16.1766 16.2734 17.1810 17.2320 17.9472 17.9523 18.6202 18.7639 k = 0.5000-0.2123 0.4623 ( 1042 PWs) bands (ev): -46.1325 -46.1325 -22.0649 -22.0528 -19.6709 -19.6535 -19.5230 -19.5225 4.8221 4.8651 9.0403 9.0465 12.8290 12.8880 12.9352 12.9553 13.7607 13.8913 16.1239 16.2314 17.1386 17.1811 17.9701 17.9753 18.7250 18.8709 k = 0.5000-0.2038 0.4683 ( 1038 PWs) bands (ev): -46.1323 -46.1323 -22.0655 -22.0521 -19.6710 -19.6516 -19.5241 -19.5234 4.8212 4.8687 9.0672 9.0742 12.8010 12.8580 12.9094 12.9357 13.7657 13.9062 16.0676 16.1845 17.1028 17.1377 17.9951 18.0002 18.8285 18.9764 k = 0.5000-0.1953 0.4743 ( 1038 PWs) bands (ev): -46.1323 -46.1323 -22.0660 -22.0514 -19.6710 -19.6496 -19.5254 -19.5245 4.8205 4.8723 9.0967 9.1044 12.7703 12.8241 12.8824 12.9153 13.7715 13.9210 16.0088 16.1337 17.0730 17.1013 18.0220 18.0269 18.9302 19.0799 k = 0.5000-0.1868 0.4803 ( 1038 PWs) bands (ev): -46.1323 -46.1323 -22.0666 -22.0507 -19.6710 -19.6476 -19.5268 -19.5256 4.8198 4.8760 9.1287 9.1372 12.7365 12.7864 12.8548 12.8941 13.7779 13.9356 15.9485 16.0800 17.0482 17.0713 18.0505 18.0551 19.0298 19.1812 k = 0.5000-0.1783 0.4863 ( 1042 PWs) bands (ev): -46.1324 -46.1324 -22.0671 -22.0501 -19.6709 -19.6456 -19.5284 -19.5269 4.8193 4.8796 9.1631 9.1724 12.6992 12.7451 12.8272 12.8723 13.7848 13.9498 15.8878 16.0245 17.0278 17.0466 18.0804 18.0846 19.1269 19.2799 k = 0.5000-0.1698 0.4923 ( 1046 PWs) bands (ev): -46.1326 -46.1326 -22.0677 -22.0495 -19.6708 -19.6435 -19.5300 -19.5281 4.8190 4.8833 9.1998 9.2100 12.6583 12.7004 12.8001 12.8500 13.7920 13.9637 15.8275 15.9682 17.0110 17.0265 18.1115 18.1151 19.2213 19.3757 k = 0.5000-0.1613 0.4983 ( 1046 PWs) bands (ev): -46.1326 -46.1326 -22.0681 -22.0489 -19.6706 -19.6413 -19.5317 -19.5294 4.8187 4.8870 9.2387 9.2497 12.6138 12.6525 12.7737 12.8276 13.7994 13.9771 15.7685 15.9121 16.9972 17.0103 18.1435 18.1465 19.3126 19.4685 k = 0.5000-0.1528 0.5043 ( 1046 PWs) bands (ev): -46.1326 -46.1326 -22.0686 -22.0483 -19.6703 -19.6390 -19.5335 -19.5307 4.8186 4.8906 9.2796 9.2915 12.5659 12.6015 12.7484 12.8051 13.8070 13.9900 15.7113 15.8569 16.9860 16.9972 18.1761 18.1784 19.4006 19.5578 k = 0.5000-0.1443 0.5103 ( 1042 PWs) bands (ev): -46.1325 -46.1325 -22.0690 -22.0477 -19.6698 -19.6366 -19.5354 -19.5320 4.8185 4.8942 9.3223 9.3352 12.5148 12.5478 12.7240 12.7828 13.8145 14.0024 15.6564 15.8034 16.9769 16.9867 18.2091 18.2106 19.4851 19.6435 k = 0.5000-0.1358 0.5163 ( 1042 PWs) bands (ev): -46.1325 -46.1325 -22.0694 -22.0471 -19.6695 -19.6343 -19.5374 -19.5333 4.8185 4.8976 9.3666 9.3806 12.4610 12.4916 12.7008 12.7609 13.8219 14.0142 15.6043 15.7521 16.9694 16.9784 18.2422 18.2427 19.5659 19.7254 k = 0.5000-0.1274 0.5223 ( 1042 PWs) bands (ev): -46.1325 -46.1325 -22.0698 -22.0466 -19.6690 -19.6318 -19.5395 -19.5347 4.8186 4.9010 9.4124 9.4274 12.4049 12.4332 12.6787 12.7395 13.8291 14.0255 15.5552 15.7033 16.9634 16.9717 18.2747 18.2751 19.6426 19.8031 k = 0.5000-0.1189 0.5283 ( 1046 PWs) bands (ev): -46.1326 -46.1326 -22.0702 -22.0461 -19.6686 -19.6294 -19.5417 -19.5361 4.8187 4.9043 9.4593 9.4754 12.3469 12.3732 12.6577 12.7187 13.8362 14.0361 15.5093 15.6573 16.9586 16.9664 18.3061 18.3075 19.7152 19.8767 k = 0.5000-0.1104 0.5343 ( 1040 PWs) bands (ev): -46.1324 -46.1324 -22.0704 -22.0456 -19.6680 -19.6268 -19.5438 -19.5373 4.8189 4.9075 9.5071 9.5243 12.2876 12.3120 12.6378 12.6988 13.8429 14.0460 15.4667 15.6144 16.9547 16.9623 18.3367 18.3391 19.7834 19.9458 k = 0.5000-0.1019 0.5403 ( 1040 PWs) bands (ev): -46.1324 -46.1324 -22.0707 -22.0451 -19.6675 -19.6243 -19.5460 -19.5386 4.8192 4.9104 9.5553 9.5737 12.2277 12.2500 12.6192 12.6799 13.8493 14.0553 15.4276 15.5747 16.9517 16.9591 18.3663 18.3697 19.8471 20.0104 k = 0.5000-0.0934 0.5463 ( 1040 PWs) bands (ev): -46.1324 -46.1324 -22.0710 -22.0447 -19.6670 -19.6218 -19.5483 -19.5398 4.8194 4.9133 9.6036 9.6233 12.1676 12.1880 12.6019 12.6621 13.8554 14.0639 15.3918 15.5382 16.9493 16.9566 18.3945 18.3990 19.9062 20.0702 k = 0.5000-0.0849 0.5523 ( 1044 PWs) bands (ev): -46.1325 -46.1325 -22.0713 -22.0443 -19.6666 -19.6193 -19.5506 -19.5410 4.8197 4.9159 9.6515 9.6725 12.1082 12.1266 12.5858 12.6454 13.8610 14.0717 15.3595 15.5051 16.9474 16.9548 18.4212 18.4267 19.9606 20.1253 k = 0.5000-0.0764 0.5583 ( 1044 PWs) bands (ev): -46.1325 -46.1325 -22.0716 -22.0440 -19.6661 -19.6168 -19.5529 -19.5421 4.8199 4.9183 9.6985 9.7207 12.0501 12.0666 12.5711 12.6301 13.8662 14.0789 15.3306 15.4753 16.9459 16.9534 18.4462 18.4527 20.0100 20.1753 k = 0.5000-0.0679 0.5643 ( 1046 PWs) bands (ev): -46.1326 -46.1326 -22.0718 -22.0437 -19.6656 -19.6143 -19.5553 -19.5432 4.8202 4.9206 9.7439 9.7675 11.9941 12.0087 12.5578 12.6161 13.8709 14.0854 15.3049 15.4488 16.9448 16.9524 18.4692 18.4765 20.0545 20.2203 k = 0.5000-0.0594 0.5703 ( 1042 PWs) bands (ev): -46.1324 -46.1324 -22.0719 -22.0434 -19.6651 -19.6119 -19.5574 -19.5441 4.8205 4.9226 9.7870 9.8119 11.9413 11.9540 12.5460 12.6037 13.8751 14.0911 15.2825 15.4256 16.9440 16.9516 18.4899 18.4981 20.0940 20.2602 k = 0.5000-0.0509 0.5764 ( 1042 PWs) bands (ev): -46.1324 -46.1324 -22.0721 -22.0431 -19.6648 -19.6096 -19.5596 -19.5450 4.8207 4.9243 9.8270 9.8533 11.8925 11.9034 12.5356 12.5927 13.8787 14.0960 15.2633 15.4056 16.9434 16.9511 18.5083 18.5173 20.1283 20.2950 k = 0.5000-0.0425 0.5824 ( 1046 PWs) bands (ev): -46.1326 -46.1326 -22.0723 -22.0430 -19.6645 -19.6076 -19.5616 -19.5457 4.8209 4.9258 9.8631 9.8906 11.8487 11.8579 12.5268 12.5833 13.8819 14.1003 15.2472 15.3887 16.9430 16.9508 18.5242 18.5338 20.1574 20.3244 k = 0.5000-0.0340 0.5884 ( 1046 PWs) bands (ev): -46.1326 -46.1326 -22.0724 -22.0428 -19.6642 -19.6057 -19.5634 -19.5463 4.8211 4.9271 9.8943 9.9230 11.8110 11.8187 12.5195 12.5756 13.8845 14.1037 15.2341 15.3751 16.9427 16.9506 18.5373 18.5475 20.1813 20.3486 k = 0.5000-0.0255 0.5944 ( 1046 PWs) bands (ev): -46.1326 -46.1326 -22.0725 -22.0427 -19.6639 -19.6040 -19.5650 -19.5468 4.8213 4.9280 9.9198 9.9495 11.7803 11.7868 12.5138 12.5695 13.8865 14.1064 15.2240 15.3645 16.9425 16.9504 18.5477 18.5584 20.1999 20.3674 k = 0.5000-0.0170 0.6004 ( 1046 PWs) bands (ev): -46.1326 -46.1326 -22.0726 -22.0426 -19.6638 -19.6028 -19.5662 -19.5471 4.8214 4.9288 9.9387 9.9691 11.7577 11.7632 12.5098 12.5652 13.8880 14.1083 15.2168 15.3569 16.9423 16.9503 18.5552 18.5662 20.2132 20.3809 k = 0.5000-0.0085 0.6064 ( 1046 PWs) bands (ev): -46.1326 -46.1326 -22.0726 -22.0425 -19.6637 -19.6020 -19.5669 -19.5473 4.8215 4.9292 9.9503 9.9812 11.7438 11.7487 12.5073 12.5626 13.8888 14.1095 15.2125 15.3524 16.9423 16.9503 18.5597 18.5709 20.2212 20.3890 k = 0.5000 0.0000 0.6124 ( 1048 PWs) bands (ev): -46.1326 -46.1326 -22.0726 -22.0425 -19.6636 -19.6017 -19.5673 -19.5475 4.8215 4.9293 9.9542 9.9853 11.7391 11.7438 12.5065 12.5617 13.8891 14.1099 15.2111 15.3509 16.9422 16.9503 18.5612 18.5724 20.2239 20.3917 k = 0.5000 0.0000 0.6124 ( 1048 PWs) bands (ev): -46.1326 -46.1326 -22.0726 -22.0425 -19.6636 -19.6017 -19.5673 -19.5475 4.8215 4.9293 9.9542 9.9853 11.7391 11.7438 12.5065 12.5617 13.8891 14.1099 15.2111 15.3509 16.9422 16.9503 18.5612 18.5724 20.2239 20.3917 k = 0.4948 0.0090 0.6124 ( 1048 PWs) bands (ev): -46.1326 -46.1326 -22.0726 -22.0425 -19.6637 -19.6019 -19.5671 -19.5474 4.8213 4.9290 9.9526 9.9837 11.7373 11.7444 12.5107 12.5657 13.8853 14.1050 15.2147 15.3538 16.9419 16.9511 18.5601 18.5750 20.2226 20.3903 k = 0.4896 0.0180 0.6124 ( 1044 PWs) bands (ev): -46.1325 -46.1325 -22.0725 -22.0424 -19.6637 -19.6023 -19.5664 -19.5470 4.8206 4.9282 9.9478 9.9787 11.7340 11.7456 12.5226 12.5772 13.8739 14.0903 15.2255 15.3625 16.9409 16.9533 18.5586 18.5813 20.2186 20.3861 k = 0.4844 0.0271 0.6124 ( 1042 PWs) bands (ev): -46.1325 -46.1325 -22.0723 -22.0424 -19.6638 -19.6030 -19.5655 -19.5465 4.8196 4.9268 9.9399 9.9704 11.7310 11.7476 12.5413 12.5953 13.8547 14.0660 15.2427 15.3766 16.9396 16.9565 18.5583 18.5902 20.2115 20.3785 k = 0.4792 0.0361 0.6124 ( 1042 PWs) bands (ev): -46.1325 -46.1325 -22.0722 -22.0423 -19.6640 -19.6039 -19.5644 -19.5457 4.8182 4.9249 9.9291 9.9591 11.7298 11.7511 12.5657 12.6188 13.8282 14.0330 15.2654 15.3953 16.9385 16.9606 18.5599 18.6015 20.2008 20.3673 k = 0.4740 0.0451 0.6124 ( 1042 PWs) bands (ev): -46.1326 -46.1326 -22.0719 -22.0423 -19.6642 -19.6050 -19.5630 -19.5449 4.8165 4.9226 9.9155 9.9450 11.7311 11.7571 12.5947 12.6466 13.7950 13.9923 15.2920 15.4178 16.9380 16.9656 18.5639 18.6152 20.1863 20.3522 k = 0.4688 0.0541 0.6124 ( 1042 PWs) bands (ev): -46.1326 -46.1326 -22.0717 -22.0422 -19.6645 -19.6061 -19.5615 -19.5439 4.8146 4.9200 9.8995 9.9283 11.7358 11.7661 12.6273 12.6777 13.7561 13.9452 15.3212 15.4429 16.9383 16.9714 18.5704 18.6316 20.1678 20.3330 k = 0.4635 0.0631 0.6124 ( 1042 PWs) bands (ev): -46.1327 -46.1327 -22.0714 -22.0422 -19.6648 -19.6074 -19.5599 -19.5427 4.8124 4.9170 9.8815 9.9095 11.7441 11.7786 12.6626 12.7111 13.7123 13.8929 15.3515 15.4695 16.9399 16.9783 18.5797 18.6506 20.1453 20.3097 k = 0.4583 0.0722 0.6124 ( 1041 PWs) bands (ev): -46.1327 -46.1327 -22.0712 -22.0421 -19.6652 -19.6086 -19.5582 -19.5414 4.8100 4.9138 9.8618 9.8889 11.7564 11.7948 12.6998 12.7457 13.6645 13.8365 15.3816 15.4963 16.9430 16.9864 18.5920 18.6723 20.1185 20.2820 k = 0.4531 0.0812 0.6124 ( 1047 PWs) bands (ev): -46.1329 -46.1329 -22.0709 -22.0421 -19.6657 -19.6100 -19.5565 -19.5402 4.8075 4.9103 9.8410 9.8671 11.7728 11.8148 12.7380 12.7807 13.6139 13.7770 15.4105 15.5223 16.9481 16.9959 18.6074 18.6968 20.0874 20.2501 k = 0.4479 0.0902 0.6124 ( 1043 PWs) bands (ev): -46.1329 -46.1329 -22.0706 -22.0420 -19.6661 -19.6112 -19.5547 -19.5388 4.8049 4.9067 9.8193 9.8445 11.7932 11.8387 12.7765 12.8149 13.5616 13.7154 15.4372 15.5465 16.9553 17.0068 18.6261 18.7241 20.0523 20.2140 k = 0.4427 0.0992 0.6124 ( 1045 PWs) bands (ev): -46.1330 -46.1330 -22.0703 -22.0420 -19.6666 -19.6125 -19.5530 -19.5374 4.8023 4.9030 9.7973 9.8214 11.8174 11.8661 12.8145 12.8474 13.5086 13.6527 15.4610 15.5684 16.9649 17.0191 18.6481 18.7543 20.0130 20.1738 k = 0.4375 0.1083 0.6124 ( 1041 PWs) bands (ev): -46.1329 -46.1329 -22.0699 -22.0419 -19.6670 -19.6136 -19.5513 -19.5360 4.7997 4.8993 9.7753 9.7985 11.8452 11.8969 12.8513 12.8767 13.4564 13.5899 15.4816 15.5872 16.9769 17.0329 18.6735 18.7874 19.9699 20.1297 k = 0.4323 0.1173 0.6124 ( 1041 PWs) bands (ev): -46.1330 -46.1330 -22.0696 -22.0419 -19.6675 -19.6147 -19.5497 -19.5347 4.7970 4.8956 9.7538 9.7759 11.8765 11.9308 12.8859 12.9011 13.4065 13.5281 15.4987 15.6029 16.9910 17.0477 18.7024 18.8235 19.9231 20.0820 k = 0.4271 0.1263 0.6124 ( 1043 PWs) bands (ev): -46.1331 -46.1331 -22.0693 -22.0419 -19.6679 -19.6158 -19.5482 -19.5334 4.7945 4.8920 9.7331 9.7542 11.9107 11.9673 12.9162 12.9195 13.3609 13.4690 15.5123 15.6152 17.0071 17.0634 18.7348 18.8624 19.8729 20.0308 k = 0.4219 0.1353 0.6124 ( 1043 PWs) bands (ev): -46.1332 -46.1332 -22.0691 -22.0418 -19.6684 -19.6167 -19.5467 -19.5322 4.7921 4.8886 9.7134 9.7337 11.9476 12.0061 12.9258 12.9441 13.3216 13.4147 15.5227 15.6244 17.0246 17.0795 18.7707 18.9043 19.8196 19.9765 k = 0.4167 0.1443 0.6124 ( 1043 PWs) bands (ev): -46.1332 -46.1332 -22.0688 -22.0418 -19.6688 -19.6176 -19.5454 -19.5311 4.7898 4.8853 9.6952 9.7145 11.9867 12.0467 12.9217 12.9636 13.2895 13.3691 15.5300 15.6307 17.0431 17.0954 18.8100 18.9490 19.7637 19.9195 k = 0.4115 0.1534 0.6124 ( 1043 PWs) bands (ev): -46.1333 -46.1333 -22.0685 -22.0418 -19.6692 -19.6184 -19.5442 -19.5300 4.7877 4.8823 9.6786 9.6971 12.0275 12.0881 12.9053 12.9731 13.2640 13.3366 15.5348 15.6346 17.0618 17.1108 18.8527 18.9965 19.7056 19.8602 k = 0.4062 0.1624 0.6124 ( 1041 PWs) bands (ev): -46.1333 -46.1333 -22.0683 -22.0418 -19.6695 -19.6191 -19.5431 -19.5291 4.7859 4.8796 9.6638 9.6816 12.0693 12.1297 12.8786 12.9699 13.2447 13.3194 15.5375 15.6366 17.0802 17.1249 18.8985 19.0466 19.6459 19.7990 k = 0.4010 0.1714 0.6124 ( 1035 PWs) bands (ev): -46.1331 -46.1331 -22.0680 -22.0417 -19.6698 -19.6196 -19.5421 -19.5282 4.7843 4.8773 9.6510 9.6681 12.1114 12.1701 12.8452 12.9534 13.2333 13.3139 15.5387 15.6371 17.0975 17.1374 18.9471 19.0990 19.5852 19.7364 k = 0.3958 0.1804 0.6124 ( 1043 PWs) bands (ev): -46.1334 -46.1334 -22.0680 -22.0418 -19.6701 -19.6202 -19.5413 -19.5277 4.7829 4.8753 9.6403 9.6569 12.1525 12.2076 12.8096 12.9271 13.2295 13.3150 15.5389 15.6367 17.1131 17.1477 18.9979 19.1532 19.5245 19.6730 k = 0.3906 0.1894 0.6124 ( 1041 PWs) bands (ev): -46.1333 -46.1333 -22.0678 -22.0417 -19.6703 -19.6205 -19.5407 -19.5271 4.7818 4.8737 9.6319 9.6481 12.1910 12.2399 12.7757 12.8969 13.2304 13.3187 15.5385 15.6359 17.1264 17.1557 19.0500 19.2081 19.4656 19.6095 k = 0.3854 0.1985 0.6124 ( 1043 PWs) bands (ev): -46.1334 -46.1334 -22.0677 -22.0418 -19.6705 -19.6208 -19.5402 -19.5267 4.7810 4.8725 9.6258 9.6417 12.2243 12.2642 12.7476 12.8692 13.2331 13.3227 15.5379 15.6350 17.1368 17.1610 19.1014 19.2606 19.4131 19.5471 k = 0.3802 0.2075 0.6124 ( 1043 PWs) bands (ev): -46.1334 -46.1334 -22.0677 -22.0418 -19.6706 -19.6210 -19.5400 -19.5265 4.7805 4.8718 9.6222 9.6379 12.2489 12.2779 12.7289 12.8497 13.2355 13.3255 15.5374 15.6344 17.1435 17.1640 19.1464 19.2957 19.3844 19.4889 k = 0.3750 0.2165 0.6124 ( 1043 PWs) bands (ev): -46.1334 -46.1334 -22.0677 -22.0418 -19.6706 -19.6210 -19.5399 -19.5264 4.7804 4.8716 9.6210 9.6366 12.2587 12.2817 12.7224 12.8426 13.2363 13.3266 15.5372 15.6341 17.1458 17.1649 19.1676 19.2975 19.3938 19.4542 k = 0.3750 0.2165 0.6124 ( 1043 PWs) bands (ev): -46.1334 -46.1334 -22.0677 -22.0418 -19.6706 -19.6210 -19.5399 -19.5264 4.7804 4.8716 9.6210 9.6366 12.2587 12.2817 12.7224 12.8426 13.2363 13.3266 15.5372 15.6341 17.1458 17.1649 19.1676 19.2975 19.3938 19.4542 k = 0.3698 0.2135 0.6039 ( 1043 PWs) bands (ev): -46.1336 -46.1336 -22.0673 -22.0409 -19.6703 -19.6191 -19.5401 -19.5257 4.7744 4.8673 9.6668 9.6832 12.2114 12.2336 12.6313 12.7447 13.2867 13.3761 15.4909 15.5874 17.2098 17.2226 19.1611 19.3087 19.4686 19.5461 k = 0.3646 0.2105 0.5954 ( 1039 PWs) bands (ev): -46.1337 -46.1337 -22.0668 -22.0400 -19.6698 -19.6172 -19.5400 -19.5248 4.7679 4.8622 9.7125 9.7297 12.1640 12.1851 12.5356 12.6415 13.3467 13.4347 15.4444 15.5406 17.2760 17.2827 19.1493 19.3016 19.5579 19.6397 k = 0.3594 0.2075 0.5869 ( 1043 PWs) bands (ev): -46.1340 -46.1340 -22.0663 -22.0392 -19.6694 -19.6156 -19.5397 -19.5237 4.7606 4.8562 9.7579 9.7759 12.1166 12.1362 12.4371 12.5351 13.4144 13.5012 15.3980 15.4938 17.3435 17.3443 19.1335 19.2873 19.6510 19.7344 k = 0.3542 0.2045 0.5784 ( 1039 PWs) bands (ev): -46.1341 -46.1341 -22.0656 -22.0382 -19.6689 -19.6140 -19.5391 -19.5224 4.7527 4.8493 9.8029 9.8219 12.0693 12.0866 12.3373 12.4270 13.4892 13.5751 15.3517 15.4470 17.4060 17.4111 19.1150 19.2690 19.7457 19.8297 k = 0.3490 0.2015 0.5698 ( 1039 PWs) bands (ev): -46.1343 -46.1343 -22.0649 -22.0372 -19.6683 -19.6126 -19.5381 -19.5210 4.7440 4.8415 9.8475 9.8673 12.0223 12.0357 12.2375 12.3179 13.5705 13.6560 15.3056 15.4004 17.4668 17.4776 19.0950 19.2483 19.8410 19.9253 k = 0.3438 0.1985 0.5613 ( 1039 PWs) bands (ev): -46.1346 -46.1346 -22.0640 -22.0362 -19.6675 -19.6113 -19.5369 -19.5194 4.7346 4.8326 9.8914 9.9122 11.9755 11.9823 12.1398 12.2083 13.6580 13.7434 15.2597 15.3540 17.5250 17.5419 19.0751 19.2269 19.9367 20.0212 k = 0.3385 0.1955 0.5528 ( 1031 PWs) bands (ev): -46.1346 -46.1346 -22.0630 -22.0350 -19.6666 -19.6100 -19.5353 -19.5175 4.7243 4.8228 9.9347 9.9564 11.9233 11.9290 12.0477 12.0988 13.7516 13.8372 15.2142 15.3080 17.5790 17.6023 19.0570 19.2065 20.0326 20.1171 k = 0.3333 0.1925 0.5443 ( 1031 PWs) bands (ev): -46.1349 -46.1349 -22.0619 -22.0339 -19.6657 -19.6089 -19.5334 -19.5156 4.7133 4.8119 9.9772 9.9998 11.8534 11.8829 11.9671 11.9897 13.8509 13.9369 15.1692 15.2625 17.6270 17.6571 19.0427 19.1888 20.1284 20.2128 k = 0.3281 0.1894 0.5358 ( 1031 PWs) bands (ev): -46.1353 -46.1353 -22.0607 -22.0327 -19.6645 -19.6079 -19.5313 -19.5136 4.7014 4.7999 10.0189 10.0425 11.7699 11.8371 11.8815 11.9011 13.9556 14.0425 15.1247 15.2176 17.6669 17.7046 19.0344 19.1760 20.2239 20.3084 k = 0.3229 0.1864 0.5273 ( 1035 PWs) bands (ev): -46.1358 -46.1358 -22.0594 -22.0315 -19.6634 -19.6070 -19.5289 -19.5114 4.6886 4.7868 10.0597 10.0842 11.6775 11.7737 11.7924 11.8453 14.0654 14.1534 15.0809 15.1734 17.6970 17.7430 19.0341 19.1701 20.3192 20.4036 k = 0.3177 0.1834 0.5188 ( 1039 PWs) bands (ev): -46.1363 -46.1363 -22.0581 -22.0303 -19.6619 -19.6060 -19.5264 -19.5091 4.6749 4.7727 10.0996 10.1251 11.5816 11.6680 11.7475 11.7948 14.1800 14.2692 15.0380 15.1301 17.7156 17.7705 19.0436 19.1730 20.4140 20.4983 k = 0.3125 0.1804 0.5103 ( 1039 PWs) bands (ev): -46.1367 -46.1367 -22.0565 -22.0289 -19.6603 -19.6051 -19.5235 -19.5066 4.6603 4.7574 10.1385 10.1650 11.4849 11.5637 11.7033 11.7472 14.2987 14.3895 14.9961 15.0879 17.7218 17.7861 19.0644 19.1864 20.5082 20.5925 k = 0.3073 0.1774 0.5018 ( 1033 PWs) bands (ev): -46.1370 -46.1369 -22.0547 -22.0274 -19.6585 -19.6040 -19.5205 -19.5040 4.6447 4.7409 10.1763 10.2039 11.3887 11.4612 11.6596 11.7012 14.4209 14.5136 14.9557 15.0473 17.7156 17.7892 19.0967 19.2110 20.6018 20.6859 k = 0.3021 0.1744 0.4933 ( 1037 PWs) bands (ev): -46.1376 -46.1376 -22.0530 -22.0260 -19.6566 -19.6029 -19.5174 -19.5014 4.6282 4.7232 10.2130 10.2418 11.2940 11.3607 11.6166 11.6565 14.5453 14.6398 14.9176 15.0089 17.6978 17.7802 19.1404 19.2470 20.6946 20.7786 k = 0.2969 0.1714 0.4848 ( 1037 PWs) bands (ev): -46.1380 -46.1380 -22.0511 -22.0244 -19.6544 -19.6018 -19.5140 -19.4986 4.6106 4.7044 10.2486 10.2786 11.2011 11.2624 11.5741 11.6128 14.6693 14.7617 14.8880 14.9750 17.6701 17.7605 19.1943 19.2938 20.7866 20.8705 k = 0.2917 0.1684 0.4763 ( 1037 PWs) bands (ev): -46.1386 -46.1386 -22.0490 -22.0227 -19.6520 -19.6005 -19.5106 -19.4957 4.5920 4.6843 10.2828 10.3142 11.1105 11.1665 11.5322 11.5698 14.7823 14.8147 14.9306 14.9553 17.6345 17.7319 19.2570 19.3501 20.8776 20.9613 k = 0.2865 0.1654 0.4678 ( 1029 PWs) bands (ev): -46.1389 -46.1389 -22.0467 -22.0209 -19.6492 -19.5990 -19.5070 -19.4927 4.5723 4.6630 10.3155 10.3486 11.0226 11.0733 11.4909 11.5276 14.7894 14.8374 14.9960 15.0540 17.5935 17.6968 19.3272 19.4145 20.9675 21.0511 k = 0.2812 0.1624 0.4593 ( 1029 PWs) bands (ev): -46.1395 -46.1395 -22.0444 -22.0190 -19.6464 -19.5974 -19.5034 -19.4897 4.5515 4.6404 10.3465 10.3817 10.9378 10.9828 11.4502 11.4861 14.7567 14.8254 15.1053 15.1859 17.5498 17.6576 19.4033 19.4855 21.0563 21.1397 k = 0.2760 0.1594 0.4508 ( 1029 PWs) bands (ev): -46.1401 -46.1401 -22.0419 -22.0171 -19.6433 -19.5957 -19.4997 -19.4866 4.5296 4.6166 10.3753 10.4133 10.8567 10.8955 11.4101 11.4452 14.7239 14.7979 15.2302 15.3176 17.5061 17.6171 19.4840 19.5617 21.1438 21.2270 k = 0.2708 0.1564 0.4423 ( 1033 PWs) bands (ev): -46.1408 -46.1408 -22.0394 -22.0151 -19.6400 -19.5938 -19.4960 -19.4835 4.5066 4.5915 10.4011 10.4430 10.7803 10.8116 11.3706 11.4050 14.6923 14.7680 15.3559 15.4459 17.4657 17.5784 19.5682 19.6420 21.2300 21.3129 k = 0.2656 0.1534 0.4338 ( 1033 PWs) bands (ev): -46.1415 -46.1415 -22.0367 -22.0130 -19.6365 -19.5917 -19.4922 -19.4804 4.4825 4.5651 10.4220 10.4704 10.7104 10.7318 11.3316 11.3653 14.6621 14.7383 15.4775 15.5677 17.4320 17.5446 19.6549 19.7252 21.3147 21.3973 k = 0.2604 0.1504 0.4253 ( 1033 PWs) bands (ev): -46.1422 -46.1422 -22.0339 -22.0109 -19.6327 -19.5894 -19.4884 -19.4772 4.4572 4.5374 10.4342 10.4934 10.6510 10.6581 11.2932 11.3261 14.6335 14.7097 15.5915 15.6796 17.4092 17.5192 19.7434 19.8103 21.3979 21.4802 k = 0.2552 0.1473 0.4168 ( 1033 PWs) bands (ev): -46.1429 -46.1429 -22.0309 -22.0086 -19.6286 -19.5869 -19.4846 -19.4739 4.4307 4.5084 10.4295 10.5032 10.5994 10.6104 11.2554 11.2875 14.6068 14.6827 15.6943 15.7775 17.4016 17.5062 19.8329 19.8967 21.4795 21.5615 k = 0.2500 0.1443 0.4082 ( 1029 PWs) bands (ev): -46.1435 -46.1435 -22.0278 -22.0062 -19.6243 -19.5841 -19.4807 -19.4706 4.4031 4.4782 10.4014 10.4736 10.5820 10.5948 11.2181 11.2495 14.5819 14.6573 15.7823 15.8573 17.4138 17.5096 19.9228 19.9836 21.5593 21.6409 k = 0.2448 0.1413 0.3997 ( 1045 PWs) bands (ev): -46.1447 -46.1447 -22.0248 -22.0039 -19.6199 -19.5813 -19.4771 -19.4676 4.3742 4.4467 10.3565 10.4161 10.5941 10.5979 11.1814 11.2119 14.5591 14.6338 15.8521 15.9157 17.4493 17.5330 20.0127 20.0705 21.6373 21.7185 k = 0.2396 0.1383 0.3912 ( 1045 PWs) bands (ev): -46.1455 -46.1455 -22.0215 -22.0013 -19.6152 -19.5781 -19.4732 -19.4643 4.3442 4.4139 10.3051 10.3549 10.6093 10.6118 11.1452 11.1747 14.5383 14.6122 15.9016 15.9512 17.5098 17.5786 20.1020 20.1569 21.7133 21.7941 k = 0.2344 0.1353 0.3827 ( 1045 PWs) bands (ev): -46.1463 -46.1463 -22.0181 -21.9987 -19.6102 -19.5747 -19.4694 -19.4611 4.3130 4.3799 10.2527 10.2951 10.6235 10.6296 11.1095 11.1381 14.5197 14.5927 15.9303 15.9648 17.5945 17.6472 20.1903 20.2423 21.7874 21.8676 k = 0.2292 0.1323 0.3742 ( 1047 PWs) bands (ev): -46.1472 -46.1472 -22.0146 -21.9960 -19.6050 -19.5711 -19.4657 -19.4578 4.2807 4.3447 10.2016 10.2382 10.6381 10.6463 11.0744 11.1019 14.5032 14.5754 15.9398 15.9594 17.7004 17.7373 20.2774 20.3262 21.8593 21.9390 k = 0.2240 0.1293 0.3657 ( 1047 PWs) bands (ev): -46.1481 -46.1481 -22.0111 -21.9932 -19.5996 -19.5673 -19.4619 -19.4546 4.2473 4.3083 10.1529 10.1846 10.6520 10.6612 11.0399 11.0661 14.4890 14.5602 15.9327 15.9388 17.8237 17.8461 20.3628 20.4085 21.9289 22.0081 k = 0.2188 0.1263 0.3572 ( 1047 PWs) bands (ev): -46.1490 -46.1490 -22.0074 -21.9903 -19.5940 -19.5633 -19.4582 -19.4513 4.2127 4.2708 10.1071 10.1346 10.6646 10.6741 11.0059 11.0308 14.4771 14.5472 15.9069 15.9125 17.9604 17.9702 20.4464 20.4887 21.9962 22.0748 k = 0.2135 0.1233 0.3487 ( 1047 PWs) bands (ev): -46.1498 -46.1498 -22.0036 -21.9874 -19.5882 -19.5591 -19.4545 -19.4481 4.1771 4.2322 10.0645 10.0881 10.6755 10.6848 10.9726 10.9959 14.4674 14.5365 15.8672 15.8824 18.1060 18.1067 20.5278 20.5666 22.0611 22.1391 k = 0.2083 0.1203 0.3402 ( 1047 PWs) bands (ev): -46.1508 -46.1508 -21.9998 -21.9843 -19.5822 -19.5546 -19.4509 -19.4449 4.1404 4.1926 10.0252 10.0453 10.6845 10.6931 10.9400 10.9614 14.4601 14.5281 15.8222 15.8454 18.2505 18.2597 20.6069 20.6419 22.1233 22.2007 k = 0.2031 0.1173 0.3317 ( 1051 PWs) bands (ev): -46.1518 -46.1518 -21.9960 -21.9813 -19.5761 -19.5500 -19.4473 -19.4418 4.1028 4.1520 9.9894 10.0061 10.6915 10.6988 10.9081 10.9274 14.4551 14.5220 15.7742 15.8037 18.4010 18.4170 20.6834 20.7144 22.1830 22.2597 k = 0.1979 0.1143 0.3232 ( 1051 PWs) bands (ev): -46.1527 -46.1527 -21.9920 -21.9781 -19.5698 -19.5452 -19.4438 -19.4387 4.0642 4.1105 9.9569 9.9706 10.6963 10.7017 10.8772 10.8938 14.4524 14.5182 15.7247 15.7593 18.5550 18.5763 20.7573 20.7838 22.2398 22.3159 k = 0.1927 0.1113 0.3147 ( 1043 PWs) bands (ev): -46.1534 -46.1534 -21.9879 -21.9748 -19.5632 -19.5401 -19.4403 -19.4356 4.0248 4.0682 9.9280 9.9388 10.6989 10.7016 10.8474 10.8606 14.4521 14.5166 15.6749 15.7135 18.7107 18.7358 20.8284 20.8501 22.2937 22.3692 k = 0.1875 0.1083 0.3062 ( 1043 PWs) bands (ev): -46.1544 -46.1544 -21.9839 -21.9716 -19.5566 -19.5349 -19.4369 -19.4326 3.9847 4.0252 9.9025 9.9106 10.6980 10.6992 10.8191 10.8279 14.4540 14.5173 15.6258 15.6675 18.8661 18.8939 20.8966 20.9129 22.3446 22.4196 k = 0.1823 0.1052 0.2977 ( 1037 PWs) bands (ev): -46.1552 -46.1552 -21.9797 -21.9682 -19.5497 -19.5295 -19.4335 -19.4295 3.9438 3.9815 9.8803 9.8860 10.6906 10.6972 10.7928 10.7957 14.4582 14.5203 15.5780 15.6222 19.0196 19.0487 20.9619 20.9723 22.3923 22.4669 k = 0.1771 0.1022 0.2892 ( 1037 PWs) bands (ev): -46.1561 -46.1561 -21.9757 -21.9649 -19.5429 -19.5240 -19.4303 -19.4266 3.9023 3.9373 9.8615 9.8648 10.6789 10.6927 10.7641 10.7688 14.4646 14.5255 15.5321 15.5781 19.1693 19.1988 21.0243 21.0281 22.4364 22.5110 k = 0.1719 0.0992 0.2807 ( 1037 PWs) bands (ev): -46.1571 -46.1571 -21.9716 -21.9615 -19.5360 -19.5184 -19.4271 -19.4238 3.8602 3.8927 9.8459 9.8470 10.6629 10.6858 10.7332 10.7474 14.4732 14.5328 15.4884 15.5358 19.3135 19.3422 21.0803 21.0841 22.4763 22.5518 k = 0.1667 0.0962 0.2722 ( 1041 PWs) bands (ev): -46.1582 -46.1582 -21.9675 -21.9582 -19.5290 -19.5128 -19.4240 -19.4210 3.8178 3.8477 9.8326 9.8335 10.6431 10.6760 10.7035 10.7280 14.4839 14.5422 15.4472 15.4956 19.4502 19.4770 21.1290 21.1413 22.5096 22.5888 k = 0.1615 0.0932 0.2637 ( 1041 PWs) bands (ev): -46.1592 -46.1592 -21.9634 -21.9548 -19.5219 -19.5070 -19.4210 -19.4182 3.7750 3.8025 9.8213 9.8242 10.6206 10.6610 10.6773 10.7098 14.4967 14.5536 15.4088 15.4577 19.5773 19.6012 21.1747 21.1965 22.5193 22.5671 k = 0.1562 0.0902 0.2552 ( 1041 PWs) bands (ev): -46.1602 -46.1602 -21.9593 -21.9514 -19.5148 -19.5010 -19.4181 -19.4155 3.7320 3.7571 9.8132 9.8178 10.5963 10.6371 10.6586 10.6917 14.5114 14.5669 15.3732 15.4224 19.6924 19.7123 21.2180 21.2503 22.4712 22.4858 k = 0.1510 0.0872 0.2467 ( 1041 PWs) bands (ev): -46.1611 -46.1611 -21.9553 -21.9479 -19.5077 -19.4951 -19.4152 -19.4129 3.6889 3.7118 9.8080 9.8142 10.5712 10.6094 10.6424 10.6732 14.5280 14.5821 15.3404 15.3896 19.7929 19.8082 21.2599 21.3036 22.4106 22.4148 k = 0.1458 0.0842 0.2381 ( 1035 PWs) bands (ev): -46.1619 -46.1619 -21.9512 -21.9445 -19.5005 -19.4890 -19.4124 -19.4103 3.6458 3.6666 9.8057 9.8132 10.5458 10.5813 10.6253 10.6538 14.5463 14.5990 15.3105 15.3595 19.8762 19.8863 21.3021 21.3574 22.3556 22.3582 k = 0.1406 0.0812 0.2296 ( 1035 PWs) bands (ev): -46.1628 -46.1628 -21.9472 -21.9411 -19.4933 -19.4829 -19.4097 -19.4079 3.6029 3.6216 9.8060 9.8148 10.5203 10.5535 10.6070 10.6335 14.5663 14.6176 15.2835 15.3321 19.9399 19.9450 21.3464 21.4128 22.3087 22.3173 k = 0.1354 0.0782 0.2211 ( 1029 PWs) bands (ev): -46.1636 -46.1636 -21.9432 -21.9377 -19.4861 -19.4767 -19.4071 -19.4055 3.5602 3.5770 9.8089 9.8188 10.4951 10.5263 10.5873 10.6121 14.5878 14.6377 15.2592 15.3072 19.9825 19.9830 21.3943 21.4709 22.2743 22.2881 k = 0.1302 0.0752 0.2126 ( 1029 PWs) bands (ev): -46.1645 -46.1645 -21.9393 -21.9344 -19.4791 -19.4706 -19.4046 -19.4032 3.5178 3.5329 9.8141 9.8250 10.4703 10.4998 10.5665 10.5898 14.6107 14.6591 15.2376 15.2848 20.0005 20.0035 21.4472 21.5320 22.2515 22.2699 k = 0.1250 0.0722 0.2041 ( 1029 PWs) bands (ev): -46.1654 -46.1654 -21.9356 -21.9311 -19.4721 -19.4645 -19.4022 -19.4009 3.4760 3.4894 9.8215 9.8333 10.4460 10.4739 10.5445 10.5666 14.6349 14.6818 15.2185 15.2648 19.9985 20.0038 21.5053 21.5962 22.2394 22.2614 k = 0.1198 0.0692 0.1956 ( 1029 PWs) bands (ev): -46.1663 -46.1663 -21.9319 -21.9279 -19.4652 -19.4585 -19.3999 -19.3988 3.4347 3.4466 9.8309 9.8434 10.4222 10.4487 10.5218 10.5426 14.6603 14.7056 15.2018 15.2471 19.9791 19.9857 21.5681 21.6627 22.2365 22.2612 k = 0.1146 0.0662 0.1871 ( 1021 PWs) bands (ev): -46.1669 -46.1669 -21.9282 -21.9246 -19.4584 -19.4524 -19.3976 -19.3966 3.3942 3.4047 9.8421 9.8552 10.3991 10.4243 10.4984 10.5182 14.6865 14.7303 15.1874 15.2315 19.9449 19.9520 21.6344 21.7307 22.2411 22.2677 k = 0.1094 0.0631 0.1786 ( 1021 PWs) bands (ev): -46.1678 -46.1678 -21.9246 -21.9216 -19.4518 -19.4465 -19.3955 -19.3947 3.3545 3.3637 9.8550 9.8685 10.3767 10.4007 10.4745 10.4933 14.7136 14.7558 15.1750 15.2179 19.8988 19.9056 21.7027 21.7990 22.2518 22.2793 k = 0.1042 0.0601 0.1701 ( 1023 PWs) bands (ev): -46.1687 -46.1687 -21.9213 -21.9186 -19.4453 -19.4407 -19.3935 -19.3928 3.3158 3.3238 9.8692 9.8830 10.3551 10.3779 10.4503 10.4683 14.7413 14.7819 15.1646 15.2060 19.8434 19.8497 21.7717 21.8665 22.2671 22.2946 k = 0.0990 0.0571 0.1616 ( 1023 PWs) bands (ev): -46.1695 -46.1695 -21.9180 -21.9156 -19.4390 -19.4350 -19.3916 -19.3910 3.2782 3.2850 9.8847 9.8987 10.3342 10.3560 10.4261 10.4433 14.7695 14.8084 15.1559 15.1958 19.7812 19.7868 21.8401 21.9323 22.2858 22.3127 k = 0.0938 0.0541 0.1531 ( 1021 PWs) bands (ev): -46.1702 -46.1702 -21.9148 -21.9128 -19.4329 -19.4295 -19.3898 -19.3892 3.2418 3.2476 9.9012 9.9152 10.3142 10.3349 10.4021 10.4184 14.7980 14.8351 15.1487 15.1871 19.7143 19.7192 21.9070 21.9957 22.3069 22.3324 k = 0.0885 0.0511 0.1446 ( 1021 PWs) bands (ev): -46.1710 -46.1710 -21.9118 -21.9101 -19.4270 -19.4241 -19.3880 -19.3876 3.2067 3.2116 9.9185 9.9324 10.2950 10.3148 10.3783 10.3939 14.8265 14.8619 15.1430 15.1797 19.6446 19.6487 21.9717 22.0562 22.3293 22.3529 k = 0.0833 0.0481 0.1361 ( 1021 PWs) bands (ev): -46.1717 -46.1717 -21.9089 -21.9074 -19.4213 -19.4189 -19.3864 -19.3860 3.1730 3.1771 9.9364 9.9500 10.2768 10.2956 10.3551 10.3699 14.8549 14.8886 15.1386 15.1735 19.5735 19.5769 22.0337 22.1134 22.3525 22.3737 k = 0.0781 0.0451 0.1276 ( 1017 PWs) bands (ev): -46.1722 -46.1722 -21.9061 -21.9049 -19.4158 -19.4138 -19.3849 -19.3846 3.1407 3.1441 9.9546 9.9679 10.2594 10.2773 10.3325 10.3467 14.8830 14.9148 15.1352 15.1684 19.5022 19.5050 22.0926 22.1671 22.3757 22.3942 k = 0.0729 0.0421 0.1191 ( 1017 PWs) bands (ev): -46.1729 -46.1729 -21.9035 -21.9025 -19.4107 -19.4090 -19.3835 -19.3832 3.1101 3.1129 9.9729 9.9858 10.2430 10.2600 10.3108 10.3243 14.9106 14.9406 15.1328 15.1641 19.4319 19.4341 22.1482 22.2173 22.3985 22.4139 k = 0.0677 0.0391 0.1106 ( 1019 PWs) bands (ev): -46.1735 -46.1735 -21.9011 -21.9003 -19.4058 -19.4045 -19.3821 -19.3819 3.0812 3.0834 9.9911 10.0035 10.2275 10.2436 10.2902 10.3029 14.9374 14.9655 15.1312 15.1606 19.3634 19.3652 22.2004 22.2638 22.4206 22.4326 k = 0.0625 0.0361 0.1021 ( 1019 PWs) bands (ev): -46.1741 -46.1741 -21.8988 -21.8982 -19.4013 -19.4002 -19.3809 -19.3807 3.0540 3.0558 10.0091 10.0208 10.2130 10.2281 10.2708 10.2827 14.9634 14.9896 15.1303 15.1577 19.2975 19.2989 22.2491 22.3065 22.4415 22.4499 k = 0.0573 0.0331 0.0936 ( 1019 PWs) bands (ev): -46.1746 -46.1746 -21.8967 -21.8962 -19.3970 -19.3962 -19.3797 -19.3796 3.0287 3.0301 10.0264 10.0374 10.1996 10.2136 10.2528 10.2639 14.9883 15.0124 15.1300 15.1553 19.2348 19.2359 22.2941 22.3456 22.4612 22.4658 k = 0.0521 0.0301 0.0851 ( 1023 PWs) bands (ev): -46.1753 -46.1753 -21.8948 -21.8944 -19.3931 -19.3925 -19.3788 -19.3787 3.0054 3.0064 10.0430 10.0531 10.1871 10.2000 10.2364 10.2465 15.0119 15.0340 15.1302 15.1533 19.1759 19.1767 22.3356 22.3809 22.4793 22.4799 k = 0.0469 0.0271 0.0765 ( 1023 PWs) bands (ev): -46.1757 -46.1757 -21.8930 -21.8928 -19.3895 -19.3890 -19.3778 -19.3778 2.9840 2.9848 10.0587 10.0678 10.1756 10.1873 10.2218 10.2307 15.0339 15.0540 15.1307 15.1517 19.1213 19.1218 22.3733 22.4124 22.4922 22.4959 k = 0.0417 0.0241 0.0680 ( 1023 PWs) bands (ev): -46.1761 -46.1761 -21.8914 -21.8913 -19.3862 -19.3859 -19.3770 -19.3770 2.9647 2.9653 10.0731 10.0811 10.1652 10.1755 10.2090 10.2166 15.0544 15.0723 15.1316 15.1504 19.0713 19.0717 22.4071 22.4400 22.5026 22.5106 k = 0.0365 0.0210 0.0595 ( 1023 PWs) bands (ev): -46.1765 -46.1765 -21.8900 -21.8899 -19.3834 -19.3831 -19.3763 -19.3762 2.9476 2.9479 10.0860 10.0929 10.1558 10.1647 10.1982 10.2045 15.0730 15.0887 15.1326 15.1492 19.0265 19.0267 22.4370 22.4636 22.5110 22.5232 k = 0.0312 0.0180 0.0510 ( 1023 PWs) bands (ev): -46.1768 -46.1768 -21.8888 -21.8887 -19.3808 -19.3807 -19.3756 -19.3756 2.9326 2.9328 10.0973 10.1030 10.1476 10.1550 10.1895 10.1943 15.0896 15.1032 15.1338 15.1481 18.9869 18.9871 22.4628 22.4834 22.5173 22.5331 k = 0.0260 0.0150 0.0425 ( 1023 PWs) bands (ev): -46.1771 -46.1771 -21.8878 -21.8877 -19.3787 -19.3786 -19.3751 -19.3751 2.9198 2.9200 10.1067 10.1110 10.1405 10.1465 10.1829 10.1862 15.1040 15.1154 15.1352 15.1471 18.9531 18.9531 22.4845 22.4994 22.5217 22.5394 k = 0.0208 0.0120 0.0340 ( 1019 PWs) bands (ev): -46.1772 -46.1772 -21.8869 -21.8869 -19.3769 -19.3769 -19.3746 -19.3746 2.9094 2.9094 10.1140 10.1171 10.1346 10.1392 10.1782 10.1802 15.1163 15.1254 15.1365 15.1461 18.9250 18.9251 22.5019 22.5119 22.5246 22.5417 k = 0.0156 0.0090 0.0255 ( 1025 PWs) bands (ev): -46.1775 -46.1775 -21.8863 -21.8863 -19.3756 -19.3755 -19.3743 -19.3743 2.9012 2.9012 10.1192 10.1211 10.1300 10.1334 10.1753 10.1763 15.1262 15.1331 15.1379 15.1450 18.9030 18.9030 22.5150 22.5212 22.5265 22.5407 k = 0.0104 0.0060 0.0170 ( 1029 PWs) bands (ev): -46.1777 -46.1777 -21.8859 -21.8859 -19.3746 -19.3746 -19.3741 -19.3741 2.8953 2.8953 10.1224 10.1235 10.1268 10.1290 10.1738 10.1741 15.1336 15.1382 15.1392 15.1440 18.8872 18.8872 22.5242 22.5276 22.5280 22.5379 k = 0.0052 0.0030 0.0085 ( 1037 PWs) bands (ev): -46.1781 -46.1781 -21.8857 -21.8857 -19.3742 -19.3742 -19.3740 -19.3740 2.8917 2.8917 10.1242 10.1246 10.1251 10.1261 10.1731 10.1731 15.1386 15.1404 15.1410 15.1428 18.8777 18.8777 22.5296 22.5297 22.5311 22.5347 k = 0.0000 0.0000 0.0000 ( 1037 PWs) bands (ev): -46.1781 -46.1781 -21.8856 -21.8856 -19.3740 -19.3740 -19.3740 -19.3740 2.8906 2.8906 10.1248 10.1248 10.1248 10.1248 10.1729 10.1729 15.1414 15.1414 15.1414 15.1414 18.8745 18.8745 22.5319 22.5319 22.5319 22.5319 k = 0.0000 0.0000 0.0000 ( 1037 PWs) bands (ev): -46.1781 -46.1781 -21.8856 -21.8856 -19.3740 -19.3740 -19.3740 -19.3740 2.8906 2.8906 10.1248 10.1248 10.1248 10.1248 10.1729 10.1729 15.1414 15.1414 15.1414 15.1414 18.8745 18.8745 22.5319 22.5319 22.5319 22.5319 k = 0.0085 0.0049 0.0035 ( 1037 PWs) bands (ev): -46.1781 -46.1781 -21.8857 -21.8857 -19.3742 -19.3742 -19.3740 -19.3740 2.8917 2.8917 10.1245 10.1245 10.1250 10.1261 10.1731 10.1731 15.1388 15.1407 15.1407 15.1427 18.8776 18.8776 22.5297 22.5303 22.5303 22.5350 k = 0.0169 0.0098 0.0069 ( 1028 PWs) bands (ev): -46.1777 -46.1777 -21.8858 -21.8858 -19.3746 -19.3746 -19.3741 -19.3741 2.8953 2.8953 10.1233 10.1233 10.1265 10.1288 10.1739 10.1739 15.1351 15.1387 15.1387 15.1427 18.8871 18.8871 22.5251 22.5251 22.5284 22.5389 k = 0.0254 0.0147 0.0104 ( 1031 PWs) bands (ev): -46.1777 -46.1777 -21.8864 -21.8864 -19.3757 -19.3757 -19.3743 -19.3743 2.9011 2.9011 10.1209 10.1209 10.1294 10.1329 10.1756 10.1756 15.1301 15.1353 15.1353 15.1416 18.9028 18.9028 22.5158 22.5158 22.5279 22.5437 k = 0.0339 0.0196 0.0138 ( 1028 PWs) bands (ev): -46.1774 -46.1774 -21.8870 -21.8870 -19.3771 -19.3771 -19.3746 -19.3746 2.9092 2.9092 10.1170 10.1170 10.1337 10.1384 10.1785 10.1785 15.1240 15.1307 15.1307 15.1392 18.9246 18.9246 22.5016 22.5016 22.5282 22.5492 k = 0.0424 0.0245 0.0173 ( 1022 PWs) bands (ev): -46.1770 -46.1770 -21.8877 -21.8877 -19.3788 -19.3788 -19.3749 -19.3749 2.9197 2.9197 10.1113 10.1113 10.1394 10.1453 10.1831 10.1831 15.1168 15.1249 15.1249 15.1358 18.9524 18.9524 22.4823 22.4823 22.5292 22.5553 k = 0.0508 0.0294 0.0208 ( 1022 PWs) bands (ev): -46.1768 -46.1768 -21.8887 -21.8887 -19.3810 -19.3810 -19.3753 -19.3753 2.9324 2.9324 10.1038 10.1038 10.1465 10.1534 10.1893 10.1893 15.1086 15.1180 15.1180 15.1313 18.9859 18.9859 22.4578 22.4578 22.5306 22.5618 k = 0.0593 0.0342 0.0242 ( 1022 PWs) bands (ev): -46.1764 -46.1764 -21.8899 -21.8899 -19.3836 -19.3836 -19.3758 -19.3758 2.9473 2.9473 10.0947 10.0947 10.1548 10.1629 10.1972 10.1972 15.0996 15.1100 15.1100 15.1258 19.0249 19.0249 22.4286 22.4286 22.5324 22.5686 k = 0.0678 0.0391 0.0277 ( 1022 PWs) bands (ev): -46.1761 -46.1761 -21.8913 -21.8913 -19.3865 -19.3865 -19.3764 -19.3764 2.9644 2.9644 10.0841 10.0841 10.1644 10.1737 10.2067 10.2067 15.0897 15.1011 15.1011 15.1196 19.0690 19.0690 22.3949 22.3949 22.5343 22.5754 k = 0.0763 0.0440 0.0311 ( 1022 PWs) bands (ev): -46.1757 -46.1757 -21.8928 -21.8928 -19.3898 -19.3898 -19.3771 -19.3771 2.9836 2.9836 10.0721 10.0721 10.1752 10.1856 10.2176 10.2176 15.0791 15.0913 15.0913 15.1125 19.1180 19.1180 22.3573 22.3573 22.5361 22.5820 k = 0.0847 0.0489 0.0346 ( 1016 PWs) bands (ev): -46.1751 -46.1751 -21.8945 -21.8945 -19.3934 -19.3934 -19.3777 -19.3777 3.0049 3.0049 10.0591 10.0591 10.1872 10.1988 10.2299 10.2299 15.0681 15.0810 15.0810 15.1049 19.1712 19.1712 22.3162 22.3162 22.5375 22.5881 k = 0.0932 0.0538 0.0381 ( 1016 PWs) bands (ev): -46.1746 -46.1746 -21.8963 -21.8963 -19.3974 -19.3974 -19.3785 -19.3785 3.0281 3.0281 10.0453 10.0453 10.2003 10.2130 10.2435 10.2435 15.0566 15.0701 15.0701 15.0969 19.2283 19.2283 22.2723 22.2723 22.5383 22.5934 k = 0.1017 0.0587 0.0415 ( 1016 PWs) bands (ev): -46.1741 -46.1741 -21.8983 -21.8983 -19.4017 -19.4017 -19.3794 -19.3794 3.0533 3.0533 10.0308 10.0308 10.2145 10.2283 10.2582 10.2582 15.0450 15.0588 15.0588 15.0885 19.2886 19.2886 22.2261 22.2261 22.5382 22.5977 k = 0.1102 0.0636 0.0450 ( 1013 PWs) bands (ev): -46.1734 -46.1734 -21.9005 -21.9005 -19.4063 -19.4063 -19.3804 -19.3804 3.0803 3.0803 10.0159 10.0159 10.2296 10.2445 10.2740 10.2740 15.0333 15.0474 15.0474 15.0800 19.3513 19.3513 22.1783 22.1783 22.5369 22.6007 k = 0.1186 0.0685 0.0484 ( 1013 PWs) bands (ev): -46.1728 -46.1728 -21.9028 -21.9028 -19.4112 -19.4112 -19.3814 -19.3814 3.1090 3.1090 10.0009 10.0009 10.2457 10.2617 10.2908 10.2908 15.0217 15.0359 15.0359 15.0715 19.4155 19.4155 22.1297 22.1297 22.5341 22.6020 k = 0.1271 0.0734 0.0519 ( 1013 PWs) bands (ev): -46.1722 -46.1722 -21.9053 -21.9053 -19.4164 -19.4164 -19.3824 -19.3824 3.1394 3.1394 9.9858 9.9858 10.2626 10.2797 10.3086 10.3086 15.0104 15.0246 15.0246 15.0632 19.4802 19.4802 22.0814 22.0814 22.5294 22.6012 k = 0.1356 0.0783 0.0554 ( 1013 PWs) bands (ev): -46.1715 -46.1715 -21.9079 -21.9079 -19.4219 -19.4219 -19.3836 -19.3836 3.1714 3.1714 9.9709 9.9709 10.2803 10.2984 10.3271 10.3271 14.9996 15.0136 15.0136 15.0553 19.5442 19.5442 22.0344 22.0344 22.5227 22.5982 k = 0.1441 0.0832 0.0588 ( 1019 PWs) bands (ev): -46.1710 -46.1710 -21.9107 -21.9107 -19.4277 -19.4277 -19.3847 -19.3847 3.2048 3.2048 9.9565 9.9565 10.2986 10.3178 10.3464 10.3464 14.9894 15.0031 15.0031 15.0479 19.6060 19.6060 21.9900 21.9900 22.5135 22.5925 k = 0.1525 0.0881 0.0623 ( 1025 PWs) bands (ev): -46.1704 -46.1704 -21.9136 -21.9136 -19.4337 -19.4337 -19.3861 -19.3861 3.2395 3.2395 9.9428 9.9428 10.3176 10.3377 10.3663 10.3663 14.9801 14.9934 14.9934 15.0413 19.6639 19.6639 21.9498 21.9498 22.5016 22.5840 k = 0.1610 0.0930 0.0657 ( 1025 PWs) bands (ev): -46.1697 -46.1697 -21.9165 -21.9165 -19.4398 -19.4398 -19.3873 -19.3873 3.2755 3.2755 9.9299 9.9299 10.3370 10.3581 10.3868 10.3868 14.9718 14.9845 14.9845 15.0356 19.7160 19.7160 21.9154 21.9154 22.4867 22.5722 k = 0.1695 0.0979 0.0692 ( 1025 PWs) bands (ev): -46.1689 -46.1689 -21.9196 -21.9196 -19.4462 -19.4462 -19.3887 -19.3887 3.3125 3.3125 9.9182 9.9182 10.3569 10.3788 10.4077 10.4077 14.9648 14.9767 14.9767 15.0310 19.7601 19.7601 21.8889 21.8889 22.4686 22.5570 k = 0.1780 0.1027 0.0727 ( 1025 PWs) bands (ev): -46.1681 -46.1681 -21.9228 -21.9228 -19.4527 -19.4527 -19.3900 -19.3900 3.3505 3.3505 9.9077 9.9077 10.3770 10.3999 10.4289 10.4289 14.9591 14.9701 14.9701 15.0277 19.7941 19.7941 21.8720 21.8720 22.4471 22.5357 k = 0.1864 0.1076 0.0761 ( 1025 PWs) bands (ev): -46.1672 -46.1672 -21.9260 -21.9260 -19.4594 -19.4594 -19.3914 -19.3914 3.3893 3.3893 9.8986 9.8986 10.3973 10.4210 10.4503 10.4503 14.9550 14.9650 14.9650 15.0257 19.8158 19.8158 21.8667 21.8667 22.4219 22.5099 k = 0.1949 0.1125 0.0796 ( 1031 PWs) bands (ev): -46.1666 -46.1666 -21.9294 -21.9294 -19.4663 -19.4663 -19.3928 -19.3928 3.4288 3.4288 9.8913 9.8913 10.4178 10.4423 10.4719 10.4719 14.9526 14.9614 14.9614 15.0254 19.8235 19.8235 21.8743 21.8743 22.3930 22.4801 k = 0.2034 0.1174 0.0830 ( 1031 PWs) bands (ev): -46.1657 -46.1657 -21.9328 -21.9328 -19.4732 -19.4732 -19.3943 -19.3943 3.4689 3.4689 9.8858 9.8858 10.4383 10.4634 10.4935 10.4935 14.9521 14.9596 14.9596 15.0268 19.8160 19.8160 21.8955 21.8955 22.3601 22.4463 k = 0.2119 0.1223 0.0865 ( 1025 PWs) bands (ev): -46.1646 -46.1646 -21.9362 -21.9362 -19.4802 -19.4802 -19.3957 -19.3957 3.5093 3.5093 9.8823 9.8823 10.4587 10.4845 10.5150 10.5150 14.9536 14.9597 14.9597 15.0301 19.7929 19.7929 21.9303 21.9303 22.3232 22.4083 k = 0.2203 0.1272 0.0900 ( 1025 PWs) bands (ev): -46.1637 -46.1637 -21.9397 -21.9397 -19.4873 -19.4873 -19.3972 -19.3971 3.5500 3.5500 9.8810 9.8810 10.4789 10.5053 10.5364 10.5364 14.9573 14.9617 14.9617 15.0354 19.7545 19.7545 21.9778 21.9778 22.2822 22.3663 k = 0.2288 0.1321 0.0934 ( 1028 PWs) bands (ev): -46.1629 -46.1629 -21.9433 -21.9433 -19.4944 -19.4944 -19.3987 -19.3987 3.5909 3.5909 9.8820 9.8820 10.4988 10.5257 10.5574 10.5574 14.9633 14.9660 14.9660 15.0429 19.7016 19.7016 22.0360 22.0360 22.2372 22.3207 k = 0.2373 0.1370 0.0969 ( 1028 PWs) bands (ev): -46.1620 -46.1620 -21.9469 -21.9469 -19.5016 -19.5016 -19.4002 -19.4002 3.6317 3.6317 9.8855 9.8855 10.5184 10.5457 10.5781 10.5781 14.9717 14.9725 14.9725 15.0525 19.6355 19.6355 22.1016 22.1016 22.1882 22.2729 k = 0.2458 0.1419 0.1003 ( 1029 PWs) bands (ev): -46.1611 -46.1611 -21.9505 -21.9505 -19.5088 -19.5088 -19.4017 -19.4017 3.6723 3.6723 9.8915 9.8915 10.5375 10.5651 10.5983 10.5983 14.9813 14.9813 14.9826 15.0645 19.5577 19.5577 22.1352 22.1594 22.1594 22.2359 k = 0.2542 0.1468 0.1038 ( 1029 PWs) bands (ev): -46.1602 -46.1602 -21.9542 -21.9542 -19.5159 -19.5159 -19.4032 -19.4032 3.7126 3.7126 9.9002 9.9002 10.5561 10.5840 10.6180 10.6180 14.9926 14.9926 14.9960 15.0789 19.4696 19.4696 22.0783 22.1399 22.1399 22.1812 k = 0.2627 0.1517 0.1073 ( 1035 PWs) bands (ev): -46.1595 -46.1595 -21.9579 -21.9579 -19.5231 -19.5231 -19.4047 -19.4047 3.7524 3.7524 9.9116 9.9116 10.5742 10.6022 10.6371 10.6371 15.0063 15.0063 15.0120 15.0956 19.3728 19.3728 22.0178 22.0824 22.0824 22.1207 k = 0.2712 0.1566 0.1107 ( 1035 PWs) bands (ev): -46.1586 -46.1586 -21.9615 -21.9615 -19.5302 -19.5302 -19.4063 -19.4063 3.7916 3.7916 9.9259 9.9259 10.5915 10.6196 10.6554 10.6554 15.0226 15.0226 15.0307 15.1149 19.2684 19.2684 21.9537 22.0175 22.0175 22.0564 k = 0.2797 0.1615 0.1142 ( 1035 PWs) bands (ev): -46.1577 -46.1577 -21.9651 -21.9651 -19.5372 -19.5372 -19.4078 -19.4078 3.8302 3.8302 9.9430 9.9430 10.6082 10.6363 10.6731 10.6731 15.0413 15.0413 15.0520 15.1365 19.1578 19.1578 21.8864 21.9484 21.9484 21.9887 k = 0.2881 0.1664 0.1176 ( 1035 PWs) bands (ev): -46.1568 -46.1568 -21.9687 -21.9687 -19.5441 -19.5441 -19.4092 -19.4092 3.8678 3.8678 9.9629 9.9629 10.6242 10.6520 10.6899 10.6899 15.0626 15.0626 15.0759 15.1606 19.0419 19.0419 21.8161 21.8759 21.8759 21.9176 k = 0.2966 0.1712 0.1211 ( 1035 PWs) bands (ev): -46.1559 -46.1559 -21.9722 -21.9722 -19.5509 -19.5509 -19.4107 -19.4107 3.9046 3.9046 9.9857 9.9857 10.6393 10.6670 10.7059 10.7059 15.0863 15.0863 15.1024 15.1871 18.9218 18.9218 21.7430 21.8005 21.8005 21.8436 k = 0.3051 0.1761 0.1246 ( 1047 PWs) bands (ev): -46.1554 -46.1554 -21.9758 -21.9758 -19.5577 -19.5577 -19.4123 -19.4123 3.9402 3.9402 10.0112 10.0112 10.6537 10.6809 10.7210 10.7210 15.1123 15.1123 15.1314 15.2158 18.7983 18.7983 21.6675 21.7225 21.7225 21.7670 k = 0.3136 0.1810 0.1280 ( 1047 PWs) bands (ev): -46.1546 -46.1546 -21.9793 -21.9793 -19.5642 -19.5642 -19.4137 -19.4137 3.9747 3.9747 10.0394 10.0394 10.6672 10.6940 10.7352 10.7352 15.1407 15.1407 15.1628 15.2468 18.6722 18.6722 21.5900 21.6424 21.6424 21.6881 k = 0.3220 0.1859 0.1315 ( 1044 PWs) bands (ev): -46.1536 -46.1536 -21.9826 -21.9826 -19.5705 -19.5705 -19.4150 -19.4150 4.0079 4.0079 10.0703 10.0703 10.6799 10.7061 10.7486 10.7486 15.1712 15.1712 15.1966 15.2798 18.5444 18.5444 21.5108 21.5607 21.5607 21.6073 k = 0.3305 0.1908 0.1349 ( 1044 PWs) bands (ev): -46.1528 -46.1528 -21.9858 -21.9858 -19.5767 -19.5767 -19.4164 -19.4164 4.0397 4.0397 10.1035 10.1035 10.6917 10.7173 10.7610 10.7610 15.2038 15.2038 15.2324 15.3147 18.4156 18.4156 21.4303 21.4776 21.4776 21.5249 k = 0.3390 0.1957 0.1384 ( 1044 PWs) bands (ev): -46.1520 -46.1520 -21.9890 -21.9890 -19.5827 -19.5827 -19.4177 -19.4177 4.0702 4.0702 10.1390 10.1390 10.7027 10.7276 10.7725 10.7725 15.2381 15.2381 15.2702 15.3512 18.2865 18.2865 21.3490 21.3937 21.3937 21.4415 k = 0.3475 0.2006 0.1418 ( 1044 PWs) bands (ev): -46.1512 -46.1512 -21.9921 -21.9921 -19.5884 -19.5884 -19.4189 -19.4189 4.0992 4.0992 10.1765 10.1765 10.7129 10.7370 10.7832 10.7832 15.2740 15.2740 15.3097 15.3893 18.1578 18.1578 21.2672 21.3094 21.3094 21.3574 k = 0.3559 0.2055 0.1453 ( 1041 PWs) bands (ev): -46.1504 -46.1504 -21.9951 -21.9951 -19.5939 -19.5939 -19.4202 -19.4202 4.1267 4.1267 10.2158 10.2158 10.7223 10.7455 10.7930 10.7930 15.3113 15.3113 15.3507 15.4285 18.0302 18.0302 21.1855 21.2252 21.2252 21.2731 k = 0.3644 0.2104 0.1488 ( 1044 PWs) bands (ev): -46.1498 -46.1498 -21.9980 -21.9980 -19.5993 -19.5993 -19.4213 -19.4213 4.1527 4.1527 10.2566 10.2566 10.7309 10.7531 10.8020 10.8020 15.3496 15.3496 15.3929 15.4687 17.9045 17.9045 21.1043 21.1415 21.1415 21.1891 k = 0.3729 0.2153 0.1522 ( 1038 PWs) bands (ev): -46.1489 -46.1489 -22.0006 -22.0006 -19.6043 -19.6043 -19.4224 -19.4224 4.1770 4.1770 10.2985 10.2985 10.7388 10.7600 10.8102 10.8102 15.3887 15.3887 15.4359 15.5094 17.7814 17.7814 21.0241 21.0589 21.0589 21.1059 k = 0.3814 0.2202 0.1557 ( 1038 PWs) bands (ev): -46.1483 -46.1483 -22.0032 -22.0032 -19.6090 -19.6090 -19.4235 -19.4235 4.1998 4.1998 10.3411 10.3411 10.7460 10.7660 10.8176 10.8176 15.4281 15.4281 15.4795 15.5504 17.6615 17.6615 20.9455 20.9779 20.9779 21.0240 k = 0.3898 0.2251 0.1591 ( 1038 PWs) bands (ev): -46.1477 -46.1477 -22.0057 -22.0057 -19.6135 -19.6135 -19.4244 -19.4244 4.2209 4.2209 10.3840 10.3840 10.7525 10.7713 10.8244 10.8244 15.4676 15.4676 15.5233 15.5912 17.5455 17.5455 20.8690 20.8989 20.8989 20.9439 k = 0.3983 0.2300 0.1626 ( 1038 PWs) bands (ev): -46.1471 -46.1471 -22.0080 -22.0080 -19.6178 -19.6178 -19.4254 -19.4254 4.2405 4.2405 10.4267 10.4267 10.7584 10.7760 10.8305 10.8305 15.5066 15.5066 15.5668 15.6315 17.4343 17.4343 20.7952 20.8227 20.8227 20.8661 k = 0.4068 0.2349 0.1661 ( 1038 PWs) bands (ev): -46.1466 -46.1466 -22.0101 -22.0101 -19.6217 -19.6217 -19.4262 -19.4262 4.2584 4.2584 10.4688 10.4688 10.7637 10.7800 10.8360 10.8360 15.5449 15.5449 15.6097 15.6707 17.3284 17.3284 20.7246 20.7496 20.7496 20.7913 k = 0.4153 0.2397 0.1695 ( 1038 PWs) bands (ev): -46.1461 -46.1461 -22.0121 -22.0121 -19.6253 -19.6253 -19.4270 -19.4270 4.2747 4.2747 10.5097 10.5097 10.7684 10.7834 10.8410 10.8410 15.5818 15.5818 15.6514 15.7085 17.2288 17.2288 20.6579 20.6804 20.6804 20.7200 k = 0.4237 0.2446 0.1730 ( 1038 PWs) bands (ev): -46.1457 -46.1457 -22.0139 -22.0139 -19.6286 -19.6286 -19.4278 -19.4278 4.2893 4.2893 10.5488 10.5488 10.7727 10.7862 10.8455 10.8455 15.6170 15.6170 15.6915 15.7443 17.1359 17.1359 20.5955 20.6154 20.6154 20.6527 k = 0.4322 0.2495 0.1764 ( 1038 PWs) bands (ev): -46.1453 -46.1453 -22.0156 -22.0156 -19.6315 -19.6315 -19.4284 -19.4284 4.3024 4.3024 10.5856 10.5856 10.7764 10.7885 10.8496 10.8496 15.6500 15.6500 15.7296 15.7777 17.0507 17.0507 20.5382 20.5554 20.5554 20.5902 k = 0.4407 0.2544 0.1799 ( 1038 PWs) bands (ev): -46.1449 -46.1449 -22.0170 -22.0170 -19.6342 -19.6342 -19.4290 -19.4290 4.3139 4.3139 10.6195 10.6195 10.7797 10.7904 10.8533 10.8533 15.6804 15.6804 15.7651 15.8082 16.9737 16.9737 20.4864 20.5009 20.5009 20.5328 k = 0.4492 0.2593 0.1834 ( 1038 PWs) bands (ev): -46.1446 -46.1446 -22.0183 -22.0183 -19.6365 -19.6365 -19.4295 -19.4295 4.3238 4.3238 10.6500 10.6500 10.7826 10.7918 10.8567 10.8567 15.7076 15.7076 15.7976 15.8353 16.9056 16.9056 20.4408 20.4524 20.4524 20.4813 k = 0.4576 0.2642 0.1868 ( 1044 PWs) bands (ev): -46.1445 -46.1445 -22.0195 -22.0195 -19.6385 -19.6385 -19.4300 -19.4300 4.3322 4.3322 10.6765 10.6765 10.7852 10.7929 10.8598 10.8598 15.7314 15.7314 15.8265 15.8585 16.8470 16.8470 20.4017 20.4103 20.4103 20.4360 k = 0.4661 0.2691 0.1903 ( 1044 PWs) bands (ev): -46.1443 -46.1443 -22.0204 -22.0204 -19.6401 -19.6401 -19.4304 -19.4304 4.3390 4.3390 10.6987 10.6987 10.7873 10.7935 10.8626 10.8626 15.7513 15.7513 15.8515 15.8775 16.7983 16.7983 20.3698 20.3753 20.3753 20.3976 k = 0.4746 0.2740 0.1937 ( 1044 PWs) bands (ev): -46.1441 -46.1441 -22.0210 -22.0210 -19.6413 -19.6413 -19.4307 -19.4307 4.3443 4.3443 10.7161 10.7161 10.7892 10.7938 10.8651 10.8651 15.7670 15.7670 15.8722 15.8919 16.7600 16.7600 20.3453 20.3476 20.3476 20.3664 k = 0.4831 0.2789 0.1972 ( 1056 PWs) bands (ev): -46.1444 -46.1444 -22.0217 -22.0217 -19.6424 -19.6424 -19.4309 -19.4309 4.3481 4.3481 10.7286 10.7286 10.7907 10.7938 10.8670 10.8670 15.7784 15.7784 15.8882 15.9014 16.7325 16.7325 20.3275 20.3275 20.3286 20.3428 k = 0.4915 0.2838 0.2007 ( 1056 PWs) bands (ev): -46.1443 -46.1443 -22.0220 -22.0220 -19.6429 -19.6429 -19.4310 -19.4310 4.3503 4.3503 10.7361 10.7361 10.7919 10.7935 10.8683 10.8683 15.7853 15.7853 15.8992 15.9059 16.7158 16.7158 20.3154 20.3154 20.3200 20.3271 k = 0.5000 0.2887 0.2041 ( 1056 PWs) bands (ev): -46.1443 -46.1443 -22.0221 -22.0221 -19.6431 -19.6431 -19.4311 -19.4311 4.3511 4.3511 10.7386 10.7386 10.7929 10.7929 10.8687 10.8687 15.7877 15.7877 15.9051 15.9051 16.7103 16.7103 20.3113 20.3113 20.3194 20.3194 k = 0.5000 0.2887 0.2041 ( 1056 PWs) bands (ev): -46.1443 -46.1443 -22.0221 -22.0221 -19.6431 -19.6431 -19.4311 -19.4311 4.3511 4.3511 10.7386 10.7386 10.7929 10.7929 10.8687 10.8687 15.7877 15.7877 15.9051 15.9051 16.7103 16.7103 20.3113 20.3113 20.3194 20.3194 k = 0.5030 0.2801 0.2090 ( 1056 PWs) bands (ev): -46.1443 -46.1443 -22.0227 -22.0215 -19.6440 -19.6423 -19.4312 -19.4312 4.3497 4.3537 10.7352 10.7419 10.7934 10.7934 10.8671 10.8709 15.7841 15.7900 15.9046 15.9046 16.7045 16.7125 20.3090 20.3115 20.3206 20.3208 k = 0.5060 0.2715 0.2138 ( 1056 PWs) bands (ev): -46.1442 -46.1442 -22.0234 -22.0210 -19.6448 -19.6414 -19.4316 -19.4316 4.3496 4.3577 10.7315 10.7448 10.7948 10.7950 10.8665 10.8739 15.7793 15.7910 15.9030 15.9032 16.6952 16.7112 20.3057 20.3102 20.3229 20.3238 k = 0.5089 0.2629 0.2187 ( 1054 PWs) bands (ev): -46.1441 -46.1441 -22.0242 -22.0206 -19.6456 -19.6405 -19.4322 -19.4322 4.3509 4.3629 10.7271 10.7467 10.7974 10.7978 10.8674 10.8780 15.7731 15.7905 15.9001 15.9008 16.6825 16.7067 20.3020 20.3086 20.3258 20.3274 k = 0.5119 0.2543 0.2236 ( 1048 PWs) bands (ev): -46.1438 -46.1438 -22.0250 -22.0201 -19.6463 -19.6396 -19.4331 -19.4331 4.3533 4.3694 10.7215 10.7465 10.8015 10.8018 10.8705 10.8839 15.7654 15.7883 15.8959 15.8973 16.6670 16.6997 20.2982 20.3069 20.3289 20.3309 k = 0.5149 0.2457 0.2284 ( 1050 PWs) bands (ev): -46.1438 -46.1438 -22.0259 -22.0199 -19.6472 -19.6387 -19.4343 -19.4343 4.3571 4.3771 10.7139 10.7428 10.8073 10.8077 10.8766 10.8919 15.7559 15.7843 15.8900 15.8924 16.6494 16.6906 20.2940 20.3052 20.3321 20.3342 k = 0.5179 0.2371 0.2333 ( 1052 PWs) bands (ev): -46.1437 -46.1437 -22.0268 -22.0197 -19.6479 -19.6378 -19.4358 -19.4357 4.3620 4.3860 10.7040 10.7349 10.8143 10.8167 10.8861 10.9025 15.7441 15.7782 15.8824 15.8856 16.6304 16.6804 20.2895 20.3035 20.3353 20.3370 k = 0.5208 0.2285 0.2381 ( 1050 PWs) bands (ev): -46.1435 -46.1435 -22.0278 -22.0195 -19.6487 -19.6369 -19.4375 -19.4373 4.3681 4.3960 10.6914 10.7230 10.8233 10.8283 10.8988 10.9160 15.7298 15.7701 15.8728 15.8762 16.6113 16.6700 20.2843 20.3016 20.3384 20.3391 k = 0.5238 0.2199 0.2430 ( 1048 PWs) bands (ev): -46.1433 -46.1433 -22.0289 -22.0194 -19.6494 -19.6359 -19.4395 -19.4392 4.3754 4.4071 10.6759 10.7074 10.8342 10.8425 10.9146 10.9323 15.7122 15.7597 15.8611 15.8632 16.5932 16.6602 20.2784 20.2995 20.3403 20.3411 k = 0.5268 0.2114 0.2479 ( 1048 PWs) bands (ev): -46.1431 -46.1431 -22.0300 -22.0194 -19.6502 -19.6350 -19.4417 -19.4413 4.3837 4.4193 10.6578 10.6888 10.8472 10.8590 10.9334 10.9515 15.6907 15.7471 15.8458 15.8473 16.5776 16.6522 20.2715 20.2969 20.3403 20.3434 k = 0.5298 0.2028 0.2527 ( 1042 PWs) bands (ev): -46.1427 -46.1427 -22.0311 -22.0194 -19.6508 -19.6340 -19.4441 -19.4435 4.3931 4.4324 10.6371 10.6674 10.8624 10.8779 10.9549 10.9735 15.6646 15.7318 15.8234 15.8317 16.5657 16.6468 20.2632 20.2937 20.3389 20.3451 k = 0.5327 0.1942 0.2576 ( 1040 PWs) bands (ev): -46.1424 -46.1424 -22.0323 -22.0196 -19.6515 -19.6330 -19.4467 -19.4460 4.4034 4.4464 10.6140 10.6437 10.8798 10.8990 10.9791 10.9982 15.6332 15.7131 15.7960 15.8144 16.5586 16.6448 20.2535 20.2897 20.3360 20.3461 k = 0.5357 0.1856 0.2624 ( 1041 PWs) bands (ev): -46.1422 -46.1422 -22.0336 -22.0198 -19.6523 -19.6320 -19.4496 -19.4486 4.4146 4.4613 10.5889 10.6179 10.8995 10.9223 11.0056 11.0253 15.5958 15.6891 15.7651 15.7961 16.5570 16.6466 20.2419 20.2845 20.3314 20.3461 k = 0.5387 0.1770 0.2673 ( 1043 PWs) bands (ev): -46.1420 -46.1420 -22.0349 -22.0201 -19.6530 -19.6311 -19.4527 -19.4515 4.4267 4.4769 10.5618 10.5902 10.9216 10.9480 11.0346 11.0549 15.5521 15.6567 15.7341 15.7771 16.5611 16.6526 20.2284 20.2779 20.3250 20.3451 k = 0.5417 0.1684 0.2722 ( 1045 PWs) bands (ev): -46.1417 -46.1417 -22.0362 -22.0204 -19.6537 -19.6301 -19.4560 -19.4545 4.4395 4.4932 10.5331 10.5610 10.9462 10.9760 11.0658 11.0869 15.5019 15.6128 15.7064 15.7577 16.5709 16.6629 20.2125 20.2695 20.3168 20.3428 k = 0.5446 0.1598 0.2770 ( 1043 PWs) bands (ev): -46.1414 -46.1414 -22.0376 -22.0208 -19.6544 -19.6291 -19.4594 -19.4575 4.4530 4.5100 10.5030 10.5303 10.9732 11.0065 11.0991 11.1210 15.4455 15.5579 15.6822 15.7383 16.5861 16.6773 20.1942 20.2589 20.3070 20.3392 k = 0.5476 0.1512 0.2819 ( 1043 PWs) bands (ev): -46.1411 -46.1411 -22.0390 -22.0213 -19.6551 -19.6281 -19.4630 -19.4607 4.4671 4.5274 10.4715 10.4984 11.0028 11.0395 11.1345 11.1573 15.3832 15.4943 15.6601 15.7190 16.6060 16.6956 20.1732 20.2454 20.2956 20.3340 k = 0.5506 0.1426 0.2867 ( 1041 PWs) bands (ev): -46.1407 -46.1407 -22.0404 -22.0218 -19.6557 -19.6271 -19.4667 -19.4640 4.4817 4.5452 10.4390 10.4655 11.0350 11.0751 11.1718 11.1956 15.3157 15.4240 15.6390 15.6998 16.6302 16.7175 20.1493 20.2287 20.2830 20.3272 k = 0.5536 0.1340 0.2916 ( 1043 PWs) bands (ev): -46.1404 -46.1404 -22.0418 -22.0224 -19.6564 -19.6262 -19.4706 -19.4674 4.4967 4.5632 10.4055 10.4316 11.0699 11.1134 11.2109 11.2358 15.2435 15.3482 15.6186 15.6809 16.6580 16.7425 20.1224 20.2083 20.2691 20.3185 k = 0.5565 0.1254 0.2965 ( 1043 PWs) bands (ev): -46.1401 -46.1401 -22.0433 -22.0230 -19.6571 -19.6252 -19.4746 -19.4708 4.5120 4.5815 10.3713 10.3970 11.1076 11.1544 11.2517 11.2777 15.1671 15.2680 15.5986 15.6624 16.6889 16.7704 20.0925 20.1841 20.2539 20.3079 k = 0.5595 0.1168 0.3013 ( 1043 PWs) bands (ev): -46.1397 -46.1397 -22.0447 -22.0237 -19.6578 -19.6242 -19.4786 -19.4743 4.5276 4.5999 10.3365 10.3618 11.1481 11.1982 11.2941 11.3214 15.0872 15.1843 15.5790 15.6443 16.7223 16.8006 20.0594 20.1561 20.2373 20.2953 k = 0.5625 0.1083 0.3062 ( 1045 PWs) bands (ev): -46.1394 -46.1394 -22.0462 -22.0245 -19.6584 -19.6233 -19.4827 -19.4778 4.5433 4.6182 10.3012 10.3262 11.1915 11.2450 11.3379 11.3666 15.0042 15.0975 15.5599 15.6267 16.7579 16.8328 20.0231 20.1244 20.2191 20.2804 k = 0.5655 0.0997 0.3110 ( 1045 PWs) bands (ev): -46.1391 -46.1391 -22.0476 -22.0253 -19.6591 -19.6223 -19.4869 -19.4813 4.5591 4.6365 10.2656 10.2902 11.2378 11.2947 11.3830 11.4133 14.9187 15.0084 15.5415 15.6098 16.7951 16.8665 19.9838 20.0891 20.1991 20.2633 k = 0.5685 0.0911 0.3159 ( 1045 PWs) bands (ev): -46.1387 -46.1387 -22.0491 -22.0261 -19.6598 -19.6214 -19.4911 -19.4848 4.5749 4.6547 10.2299 10.2540 11.2871 11.3475 11.4294 11.4613 14.8311 14.9173 15.5237 15.5938 16.8336 16.9014 19.9415 20.0505 20.1770 20.2438 k = 0.5714 0.0825 0.3208 ( 1049 PWs) bands (ev): -46.1385 -46.1385 -22.0506 -22.0270 -19.6604 -19.6205 -19.4953 -19.4883 4.5906 4.6725 10.1940 10.2178 11.3393 11.4034 11.4767 11.5105 14.7418 14.8247 15.5068 15.5786 16.8729 16.9371 19.8963 20.0088 20.1528 20.2218 k = 0.5744 0.0739 0.3256 ( 1046 PWs) bands (ev): -46.1380 -46.1380 -22.0520 -22.0278 -19.6611 -19.6196 -19.4995 -19.4916 4.6061 4.6901 10.1583 10.1816 11.3945 11.4623 11.5249 11.5608 14.6512 14.7311 15.4909 15.5645 16.9127 16.9731 19.8485 19.9642 20.1264 20.1974 k = 0.5774 0.0653 0.3305 ( 1044 PWs) bands (ev): -46.1376 -46.1376 -22.0533 -22.0287 -19.6617 -19.6188 -19.5036 -19.4949 4.6213 4.7071 10.1226 10.1456 11.4525 11.5243 11.5740 11.6121 14.5595 14.6366 15.4763 15.5516 16.9525 17.0090 19.7983 19.9171 20.0976 20.1704 k = 0.5804 0.0567 0.3353 ( 1044 PWs) bands (ev): -46.1372 -46.1372 -22.0547 -22.0296 -19.6624 -19.6180 -19.5076 -19.4982 4.6361 4.7237 10.0872 10.1097 11.5132 11.5890 11.6239 11.6644 14.4672 14.5417 15.4630 15.5401 16.9919 17.0445 19.7461 19.8679 20.0665 20.1408 k = 0.5833 0.0481 0.3402 ( 1040 PWs) bands (ev): -46.1367 -46.1367 -22.0560 -22.0305 -19.6630 -19.6173 -19.5115 -19.5012 4.6506 4.7397 10.0521 10.0742 11.5763 11.6552 11.6759 11.7178 14.3745 14.4467 15.4512 15.5302 17.0305 17.0789 19.6923 19.8169 20.0330 20.1087 k = 0.5863 0.0395 0.3451 ( 1044 PWs) bands (ev): -46.1365 -46.1365 -22.0573 -22.0315 -19.6637 -19.6167 -19.5153 -19.5042 4.6646 4.7550 10.0174 10.0391 11.6414 11.7156 11.7369 11.7724 14.2816 14.3517 15.4412 15.5219 17.0677 17.1118 19.6374 19.7649 19.9972 20.0741 k = 0.5893 0.0309 0.3499 ( 1044 PWs) bands (ev): -46.1362 -46.1362 -22.0585 -22.0324 -19.6644 -19.6162 -19.5189 -19.5071 4.6780 4.7696 9.9832 10.0044 11.7077 11.7676 11.8092 11.8287 14.1889 14.2572 15.4330 15.5156 17.1031 17.1426 19.5820 19.7123 19.9590 20.0370 k = 0.5923 0.0223 0.3548 ( 1040 PWs) bands (ev): -46.1357 -46.1357 -22.0597 -22.0333 -19.6650 -19.6157 -19.5223 -19.5097 4.6908 4.7833 9.9495 9.9702 11.7740 11.8172 11.8866 11.8876 14.0966 14.1634 15.4269 15.5112 17.1361 17.1708 19.5268 19.6599 19.9186 19.9975 k = 0.5952 0.0137 0.3596 ( 1040 PWs) bands (ev): -46.1354 -46.1354 -22.0608 -22.0342 -19.6656 -19.6155 -19.5254 -19.5123 4.7030 4.7963 9.9163 9.9366 11.8387 11.8658 11.9503 11.9675 14.0050 14.0706 15.4230 15.5091 17.1660 17.1958 19.4725 19.6083 19.8760 19.9557 k = 0.5982 0.0052 0.3645 ( 1042 PWs) bands (ev): -46.1352 -46.1352 -22.0619 -22.0352 -19.6663 -19.6154 -19.5283 -19.5146 4.7145 4.8084 9.8838 9.9036 11.9000 11.9132 12.0181 12.0515 13.9142 13.9790 15.4216 15.5093 17.1922 17.2169 19.4199 19.5585 19.8314 19.9117 k = 0.6012-0.0034 0.3694 ( 1042 PWs) bands (ev): -46.1349 -46.1349 -22.0629 -22.0361 -19.6670 -19.6154 -19.5310 -19.5167 4.7252 4.8195 9.8519 9.8712 11.9570 11.9595 12.0916 12.1382 13.8246 13.8891 15.4227 15.5120 17.2140 17.2334 19.3701 19.5112 19.7849 19.8657 k = 0.6042-0.0120 0.3742 ( 1042 PWs) bands (ev): -46.1347 -46.1346 -22.0638 -22.0369 -19.6676 -19.6156 -19.5333 -19.5187 4.7352 4.8296 9.8206 9.8395 12.0043 12.0096 12.1701 12.2275 13.7365 13.8011 15.4265 15.5173 17.2306 17.2447 19.3238 19.4674 19.7367 19.8179 k = 0.6071-0.0206 0.3791 ( 1041 PWs) bands (ev): -46.1344 -46.1344 -22.0646 -22.0378 -19.6682 -19.6159 -19.5352 -19.5204 4.7443 4.8388 9.7900 9.8084 12.0474 12.0583 12.2523 12.3189 13.6502 13.7156 15.4332 15.5253 17.2415 17.2502 19.2822 19.4278 19.6871 19.7684 k = 0.6101-0.0292 0.3839 ( 1043 PWs) bands (ev): -46.1342 -46.1342 -22.0654 -22.0386 -19.6687 -19.6164 -19.5369 -19.5220 4.7525 4.8469 9.7601 9.7781 12.0887 12.1036 12.3370 12.4120 13.5662 13.6333 15.4428 15.5362 17.2459 17.2494 19.2460 19.3933 19.6364 19.7176 k = 0.6131-0.0378 0.3888 ( 1043 PWs) bands (ev): -46.1340 -46.1340 -22.0661 -22.0393 -19.6692 -19.6171 -19.5382 -19.5233 4.7599 4.8540 9.7309 9.7484 12.1278 12.1456 12.4227 12.5061 13.4851 13.5550 15.4555 15.5500 17.2419 17.2435 19.2161 19.3645 19.5849 19.6656 k = 0.6161-0.0464 0.3937 ( 1041 PWs) bands (ev): -46.1338 -46.1338 -22.0666 -22.0400 -19.6697 -19.6179 -19.5391 -19.5244 4.7665 4.8601 9.7024 9.7194 12.1645 12.1845 12.5074 12.5998 13.4082 13.4822 15.4713 15.5667 17.2275 17.2341 19.1931 19.3415 19.5333 19.6129 k = 0.6190-0.0550 0.3985 ( 1037 PWs) bands (ev): -46.1335 -46.1335 -22.0670 -22.0406 -19.6700 -19.6188 -19.5396 -19.5252 4.7720 4.8650 9.6746 9.6911 12.1987 12.2202 12.5887 12.6911 13.3373 13.4170 15.4902 15.5863 17.2065 17.2175 19.1774 19.3243 19.4824 19.5597 k = 0.6220-0.0636 0.4034 ( 1043 PWs) bands (ev): -46.1335 -46.1335 -22.0674 -22.0412 -19.6704 -19.6199 -19.5399 -19.5260 4.7767 4.8688 9.6475 9.6635 12.2302 12.2526 12.6625 12.7752 13.2769 13.3631 15.5122 15.6088 17.1790 17.1943 19.1690 19.3112 19.4342 19.5066 k = 0.6250-0.0722 0.4082 ( 1043 PWs) bands (ev): -46.1334 -46.1334 -22.0677 -22.0418 -19.6706 -19.6210 -19.5399 -19.5264 4.7804 4.8716 9.6210 9.6366 12.2587 12.2817 12.7224 12.8426 13.2363 13.3266 15.5372 15.6341 17.1458 17.1649 19.1676 19.2975 19.3938 19.4542 k = 0.6250-0.0722 0.4082 ( 1043 PWs) bands (ev): -46.1334 -46.1334 -22.0677 -22.0418 -19.6706 -19.6210 -19.5399 -19.5264 4.7804 4.8716 9.6210 9.6366 12.2587 12.2817 12.7224 12.8426 13.2363 13.3266 15.5372 15.6341 17.1458 17.1649 19.1676 19.2975 19.3938 19.4542 k = 0.6198-0.0692 0.4168 ( 1043 PWs) bands (ev): -46.1334 -46.1334 -22.0677 -22.0418 -19.6706 -19.6210 -19.5400 -19.5265 4.7805 4.8718 9.6222 9.6379 12.2489 12.2779 12.7289 12.8497 13.2355 13.3255 15.5374 15.6344 17.1435 17.1640 19.1464 19.2957 19.3844 19.4889 k = 0.6146-0.0662 0.4253 ( 1043 PWs) bands (ev): -46.1334 -46.1334 -22.0677 -22.0418 -19.6705 -19.6208 -19.5402 -19.5267 4.7810 4.8725 9.6258 9.6417 12.2243 12.2642 12.7476 12.8692 13.2331 13.3227 15.5379 15.6350 17.1368 17.1610 19.1014 19.2606 19.4131 19.5471 k = 0.6094-0.0631 0.4338 ( 1041 PWs) bands (ev): -46.1333 -46.1333 -22.0678 -22.0417 -19.6703 -19.6205 -19.5407 -19.5271 4.7818 4.8737 9.6319 9.6481 12.1910 12.2399 12.7757 12.8969 13.2304 13.3187 15.5385 15.6359 17.1264 17.1557 19.0500 19.2081 19.4656 19.6095 k = 0.6042-0.0601 0.4423 ( 1043 PWs) bands (ev): -46.1334 -46.1334 -22.0680 -22.0418 -19.6701 -19.6202 -19.5413 -19.5277 4.7829 4.8753 9.6403 9.6569 12.1525 12.2076 12.8096 12.9271 13.2295 13.3150 15.5389 15.6367 17.1131 17.1477 18.9979 19.1532 19.5245 19.6730 k = 0.5990-0.0571 0.4508 ( 1035 PWs) bands (ev): -46.1331 -46.1331 -22.0680 -22.0417 -19.6698 -19.6196 -19.5421 -19.5282 4.7843 4.8773 9.6510 9.6681 12.1114 12.1701 12.8452 12.9534 13.2333 13.3139 15.5387 15.6371 17.0975 17.1374 18.9471 19.0990 19.5852 19.7364 k = 0.5938-0.0541 0.4593 ( 1041 PWs) bands (ev): -46.1333 -46.1333 -22.0683 -22.0418 -19.6695 -19.6191 -19.5431 -19.5291 4.7859 4.8796 9.6638 9.6816 12.0693 12.1297 12.8786 12.9699 13.2447 13.3194 15.5375 15.6366 17.0802 17.1249 18.8985 19.0466 19.6459 19.7990 k = 0.5885-0.0511 0.4678 ( 1043 PWs) bands (ev): -46.1333 -46.1333 -22.0685 -22.0418 -19.6692 -19.6184 -19.5442 -19.5300 4.7877 4.8823 9.6786 9.6971 12.0275 12.0881 12.9053 12.9731 13.2640 13.3366 15.5348 15.6346 17.0618 17.1108 18.8527 18.9965 19.7056 19.8602 k = 0.5833-0.0481 0.4763 ( 1043 PWs) bands (ev): -46.1332 -46.1332 -22.0688 -22.0418 -19.6688 -19.6176 -19.5454 -19.5311 4.7898 4.8853 9.6952 9.7145 11.9867 12.0467 12.9217 12.9636 13.2895 13.3691 15.5300 15.6307 17.0431 17.0954 18.8100 18.9490 19.7637 19.9195 k = 0.5781-0.0451 0.4848 ( 1043 PWs) bands (ev): -46.1332 -46.1332 -22.0691 -22.0418 -19.6684 -19.6167 -19.5467 -19.5322 4.7921 4.8886 9.7134 9.7337 11.9476 12.0061 12.9258 12.9441 13.3216 13.4147 15.5227 15.6244 17.0246 17.0795 18.7707 18.9043 19.8196 19.9765 k = 0.5729-0.0421 0.4933 ( 1043 PWs) bands (ev): -46.1331 -46.1331 -22.0693 -22.0419 -19.6679 -19.6158 -19.5482 -19.5334 4.7945 4.8920 9.7331 9.7542 11.9107 11.9673 12.9162 12.9195 13.3609 13.4690 15.5123 15.6152 17.0071 17.0634 18.7348 18.8624 19.8729 20.0308 k = 0.5677-0.0391 0.5018 ( 1041 PWs) bands (ev): -46.1330 -46.1330 -22.0696 -22.0419 -19.6675 -19.6147 -19.5497 -19.5347 4.7970 4.8956 9.7538 9.7759 11.8765 11.9308 12.8859 12.9011 13.4065 13.5281 15.4987 15.6029 16.9910 17.0477 18.7024 18.8235 19.9231 20.0820 k = 0.5625-0.0361 0.5103 ( 1041 PWs) bands (ev): -46.1329 -46.1329 -22.0699 -22.0419 -19.6670 -19.6136 -19.5513 -19.5360 4.7997 4.8993 9.7753 9.7985 11.8452 11.8969 12.8513 12.8767 13.4564 13.5899 15.4816 15.5872 16.9769 17.0329 18.6735 18.7874 19.9699 20.1297 k = 0.5573-0.0331 0.5188 ( 1045 PWs) bands (ev): -46.1330 -46.1330 -22.0703 -22.0420 -19.6666 -19.6125 -19.5530 -19.5374 4.8023 4.9030 9.7973 9.8214 11.8174 11.8661 12.8145 12.8474 13.5086 13.6527 15.4610 15.5684 16.9649 17.0191 18.6481 18.7543 20.0130 20.1738 k = 0.5521-0.0301 0.5273 ( 1043 PWs) bands (ev): -46.1329 -46.1329 -22.0706 -22.0420 -19.6661 -19.6112 -19.5547 -19.5388 4.8049 4.9067 9.8193 9.8445 11.7932 11.8387 12.7765 12.8149 13.5616 13.7154 15.4372 15.5465 16.9553 17.0068 18.6261 18.7241 20.0523 20.2140 k = 0.5469-0.0271 0.5358 ( 1047 PWs) bands (ev): -46.1329 -46.1329 -22.0709 -22.0421 -19.6657 -19.6100 -19.5565 -19.5402 4.8075 4.9103 9.8410 9.8671 11.7728 11.8148 12.7380 12.7807 13.6139 13.7770 15.4105 15.5223 16.9481 16.9959 18.6074 18.6968 20.0874 20.2501 k = 0.5417-0.0241 0.5443 ( 1041 PWs) bands (ev): -46.1327 -46.1327 -22.0712 -22.0421 -19.6652 -19.6086 -19.5582 -19.5414 4.8100 4.9138 9.8618 9.8889 11.7564 11.7948 12.6998 12.7457 13.6645 13.8365 15.3816 15.4963 16.9430 16.9864 18.5920 18.6723 20.1185 20.2820 k = 0.5365-0.0210 0.5528 ( 1042 PWs) bands (ev): -46.1327 -46.1327 -22.0714 -22.0422 -19.6648 -19.6074 -19.5599 -19.5427 4.8124 4.9170 9.8815 9.9095 11.7441 11.7786 12.6626 12.7111 13.7123 13.8929 15.3515 15.4695 16.9399 16.9783 18.5797 18.6506 20.1453 20.3097 k = 0.5312-0.0180 0.5613 ( 1042 PWs) bands (ev): -46.1326 -46.1326 -22.0717 -22.0422 -19.6645 -19.6061 -19.5615 -19.5439 4.8146 4.9200 9.8995 9.9283 11.7358 11.7661 12.6273 12.6777 13.7561 13.9452 15.3212 15.4429 16.9383 16.9714 18.5704 18.6316 20.1678 20.3330 k = 0.5260-0.0150 0.5698 ( 1042 PWs) bands (ev): -46.1326 -46.1326 -22.0719 -22.0423 -19.6642 -19.6050 -19.5630 -19.5449 4.8165 4.9226 9.9155 9.9450 11.7311 11.7571 12.5947 12.6466 13.7950 13.9923 15.2920 15.4178 16.9380 16.9656 18.5639 18.6152 20.1863 20.3522 k = 0.5208-0.0120 0.5784 ( 1042 PWs) bands (ev): -46.1325 -46.1325 -22.0722 -22.0423 -19.6640 -19.6039 -19.5644 -19.5457 4.8182 4.9249 9.9291 9.9591 11.7298 11.7511 12.5657 12.6188 13.8282 14.0330 15.2654 15.3953 16.9385 16.9606 18.5599 18.6015 20.2008 20.3673 k = 0.5156-0.0090 0.5869 ( 1042 PWs) bands (ev): -46.1325 -46.1325 -22.0723 -22.0424 -19.6638 -19.6030 -19.5655 -19.5465 4.8196 4.9268 9.9399 9.9704 11.7310 11.7476 12.5413 12.5953 13.8547 14.0660 15.2427 15.3766 16.9396 16.9565 18.5583 18.5902 20.2115 20.3785 k = 0.5104-0.0060 0.5954 ( 1044 PWs) bands (ev): -46.1325 -46.1325 -22.0725 -22.0424 -19.6637 -19.6023 -19.5664 -19.5470 4.8206 4.9282 9.9478 9.9787 11.7340 11.7456 12.5226 12.5772 13.8739 14.0903 15.2255 15.3625 16.9409 16.9533 18.5586 18.5813 20.2186 20.3861 k = 0.5052-0.0030 0.6039 ( 1048 PWs) bands (ev): -46.1326 -46.1326 -22.0726 -22.0425 -19.6637 -19.6019 -19.5671 -19.5474 4.8213 4.9290 9.9526 9.9837 11.7373 11.7444 12.5107 12.5657 13.8853 14.1050 15.2147 15.3538 16.9419 16.9511 18.5601 18.5750 20.2226 20.3903 k = 0.5000 0.0000 0.6124 ( 1048 PWs) bands (ev): -46.1326 -46.1326 -22.0726 -22.0425 -19.6636 -19.6017 -19.5673 -19.5475 4.8215 4.9293 9.9542 9.9853 11.7391 11.7438 12.5065 12.5617 13.8891 14.1099 15.2111 15.3509 16.9422 16.9503 18.5612 18.5724 20.2239 20.3917 k = 0.5000 0.0000 0.6124 ( 1048 PWs) bands (ev): -46.1326 -46.1326 -22.0726 -22.0425 -19.6636 -19.6017 -19.5673 -19.5475 4.8215 4.9293 9.9542 9.9853 11.7391 11.7438 12.5065 12.5617 13.8891 14.1099 15.2111 15.3509 16.9422 16.9503 18.5612 18.5724 20.2239 20.3917 k = 0.5000 0.0060 0.6039 ( 1046 PWs) bands (ev): -46.1326 -46.1326 -22.0726 -22.0424 -19.6636 -19.6017 -19.5671 -19.5473 4.8210 4.9288 9.9550 9.9861 11.7309 11.7394 12.5142 12.5690 13.8821 14.1007 15.2168 15.3551 16.9417 16.9516 18.5609 18.5785 20.2242 20.3919 k = 0.5000 0.0120 0.5954 ( 1046 PWs) bands (ev): -46.1326 -46.1326 -22.0724 -22.0423 -19.6636 -19.6018 -19.5667 -19.5469 4.8197 4.9275 9.9572 9.9885 11.7098 11.7243 12.5363 12.5900 13.8614 14.0741 15.2333 15.3676 16.9408 16.9549 18.5639 18.5930 20.2253 20.3925 k = 0.5000 0.0180 0.5869 ( 1044 PWs) bands (ev): -46.1326 -46.1326 -22.0722 -22.0421 -19.6636 -19.6020 -19.5660 -19.5461 4.8176 4.9251 9.9609 9.9925 11.6792 11.6990 12.5707 12.6224 13.8286 14.0324 15.2585 15.3871 16.9400 16.9592 18.5723 18.6137 20.2271 20.3935 k = 0.5000 0.0241 0.5784 ( 1042 PWs) bands (ev): -46.1326 -46.1326 -22.0718 -22.0418 -19.6636 -19.6023 -19.5650 -19.5451 4.8145 4.9219 9.9661 9.9980 11.6414 11.6657 12.6145 12.6633 13.7859 13.9787 15.2902 15.4122 16.9396 16.9639 18.5866 18.6402 20.2295 20.3948 k = 0.5000 0.0301 0.5698 ( 1042 PWs) bands (ev): -46.1327 -46.1327 -22.0714 -22.0415 -19.6636 -19.6026 -19.5638 -19.5439 4.8107 4.9178 9.9727 10.0051 11.5989 11.6266 12.6647 12.7093 13.7362 13.9166 15.3257 15.4414 16.9392 16.9688 18.6072 18.6724 20.2325 20.3965 k = 0.5000 0.0361 0.5613 ( 1042 PWs) bands (ev): -46.1329 -46.1329 -22.0710 -22.0411 -19.6637 -19.6031 -19.5622 -19.5424 4.8059 4.9127 9.9808 10.0137 11.5535 11.5838 12.7182 12.7567 13.6831 13.8499 15.3629 15.4730 16.9386 16.9732 18.6339 18.7100 20.2361 20.3985 k = 0.5000 0.0421 0.5528 ( 1044 PWs) bands (ev): -46.1331 -46.1331 -22.0704 -22.0407 -19.6637 -19.6037 -19.5604 -19.5407 4.8003 4.9067 9.9903 10.0237 11.5064 11.5389 12.7715 12.8013 13.6310 13.7827 15.4003 15.5058 16.9376 16.9769 18.6670 18.7530 20.2402 20.4007 k = 0.5000 0.0481 0.5443 ( 1046 PWs) bands (ev): -46.1333 -46.1333 -22.0698 -22.0401 -19.6637 -19.6043 -19.5583 -19.5389 4.7939 4.8997 10.0012 10.0353 11.4587 11.4928 12.8204 12.8376 13.5855 13.7200 15.4366 15.5386 16.9356 16.9794 18.7061 18.8011 20.2448 20.4031 k = 0.5000 0.0541 0.5358 ( 1042 PWs) bands (ev): -46.1334 -46.1334 -22.0690 -22.0395 -19.6636 -19.6049 -19.5558 -19.5367 4.7866 4.8919 10.0135 10.0483 11.4112 11.4466 12.8564 12.8622 13.5529 13.6685 15.4710 15.5705 16.9326 16.9803 18.7513 18.8541 20.2496 20.4055 k = 0.5000 0.0601 0.5273 ( 1046 PWs) bands (ev): -46.1337 -46.1337 -22.0683 -22.0389 -19.6636 -19.6057 -19.5532 -19.5345 4.7785 4.8832 10.0270 10.0626 11.3645 11.4008 12.8586 12.8829 13.5394 13.6360 15.5032 15.6010 16.9281 16.9795 18.8020 18.9116 20.2548 20.4081 k = 0.5000 0.0662 0.5188 ( 1046 PWs) bands (ev): -46.1340 -46.1340 -22.0674 -22.0382 -19.6636 -19.6065 -19.5503 -19.5320 4.7697 4.8736 10.0419 10.0783 11.3189 11.3559 12.8352 12.8821 13.5478 13.6300 15.5328 15.6297 16.9220 16.9766 18.8578 18.9731 20.2601 20.4105 k = 0.5000 0.0722 0.5103 ( 1044 PWs) bands (ev): -46.1342 -46.1342 -22.0664 -22.0375 -19.6635 -19.6074 -19.5471 -19.5294 4.7600 4.8631 10.0580 10.0953 11.2747 11.3123 12.7900 12.8555 13.5771 13.6528 15.5597 15.6563 16.9142 16.9716 18.9182 19.0383 20.2655 20.4129 k = 0.5000 0.0782 0.5018 ( 1046 PWs) bands (ev): -46.1345 -46.1345 -22.0654 -22.0367 -19.6634 -19.6083 -19.5437 -19.5267 4.7496 4.8518 10.0753 10.1136 11.2322 11.2702 12.7282 12.8061 13.6246 13.6995 15.5840 15.6808 16.9045 16.9645 18.9826 19.1064 20.2710 20.4152 k = 0.5000 0.0842 0.4933 ( 1046 PWs) bands (ev): -46.1348 -46.1348 -22.0644 -22.0359 -19.6632 -19.6093 -19.5402 -19.5238 4.7385 4.8396 10.0937 10.1329 11.1916 11.2299 12.6550 12.7398 13.6867 13.7631 15.6057 15.7032 16.8929 16.9553 19.0502 19.1770 20.2764 20.4172 k = 0.5000 0.0902 0.4848 ( 1044 PWs) bands (ev): -46.1350 -46.1350 -22.0632 -22.0350 -19.6630 -19.6102 -19.5364 -19.5208 4.7267 4.8266 10.1133 10.1534 11.1529 11.1914 12.5745 12.6624 13.7595 13.8379 15.6252 15.7234 16.8794 16.9442 19.1203 19.2492 20.2817 20.4190 k = 0.5000 0.0962 0.4763 ( 1042 PWs) bands (ev): -46.1353 -46.1353 -22.0620 -22.0341 -19.6627 -19.6112 -19.5325 -19.5177 4.7142 4.8129 10.1338 10.1750 11.1163 11.1550 12.4897 12.5781 13.8400 13.9202 15.6424 15.7417 16.8642 16.9312 19.1922 19.3226 20.2868 20.4204 k = 0.5000 0.1022 0.4678 ( 1048 PWs) bands (ev): -46.1358 -46.1358 -22.0608 -22.0333 -19.6625 -19.6122 -19.5285 -19.5145 4.7011 4.7983 10.1553 10.1974 11.0818 11.1206 12.4024 12.4899 13.9259 14.0079 15.6576 15.7581 16.8474 16.9166 19.2651 19.3964 20.2916 20.4214 k = 0.5000 0.1083 0.4593 ( 1048 PWs) bands (ev): -46.1361 -46.1361 -22.0595 -22.0324 -19.6622 -19.6133 -19.5243 -19.5112 4.6874 4.7831 10.1776 10.2208 11.0495 11.0884 12.3140 12.3997 14.0155 14.0992 15.6711 15.7727 16.8290 16.9005 19.3384 19.4700 20.2962 20.4221 k = 0.5000 0.1143 0.4508 ( 1046 PWs) bands (ev): -46.1364 -46.1364 -22.0582 -22.0315 -19.6619 -19.6143 -19.5200 -19.5077 4.6732 4.7673 10.2008 10.2449 11.0193 11.0583 12.2256 12.3089 14.1078 14.1931 15.6830 15.7858 16.8094 16.8832 19.4113 19.5428 20.3004 20.4223 k = 0.5000 0.1203 0.4423 ( 1046 PWs) bands (ev): -46.1368 -46.1368 -22.0568 -22.0306 -19.6615 -19.6153 -19.5156 -19.5043 4.6585 4.7508 10.2246 10.2698 10.9914 11.0304 12.1377 12.2183 14.2019 14.2889 15.6935 15.7975 16.7887 16.8649 19.4833 19.6143 20.3042 20.4220 k = 0.5000 0.1263 0.4338 ( 1044 PWs) bands (ev): -46.1371 -46.1371 -22.0554 -22.0296 -19.6611 -19.6164 -19.5112 -19.5007 4.6434 4.7338 10.2491 10.2952 10.9655 11.0046 12.0510 12.1287 14.2972 14.3858 15.7027 15.8079 16.7672 16.8458 19.5538 19.6838 20.3076 20.4213 k = 0.5000 0.1323 0.4253 ( 1046 PWs) bands (ev): -46.1375 -46.1375 -22.0540 -22.0288 -19.6607 -19.6175 -19.5068 -19.4971 4.6279 4.7162 10.2741 10.3212 10.9418 10.9810 11.9659 12.0405 14.3930 14.4835 15.7109 15.8172 16.7451 16.8262 19.6223 19.7509 20.3107 20.4201 k = 0.5000 0.1383 0.4168 ( 1042 PWs) bands (ev): -46.1378 -46.1378 -22.0525 -22.0278 -19.6602 -19.6185 -19.5022 -19.4934 4.6121 4.6983 10.2995 10.3475 10.9201 10.9594 11.8827 11.9542 14.4890 14.5813 15.7181 15.8254 16.7226 16.8062 19.6883 19.8152 20.3132 20.4184 k = 0.5000 0.1443 0.4082 ( 1042 PWs) bands (ev): -46.1381 -46.1381 -22.0510 -22.0270 -19.6597 -19.6196 -19.4977 -19.4898 4.5961 4.6800 10.3252 10.3742 10.9005 10.9399 11.8018 11.8701 14.5847 14.6789 15.7245 15.8328 16.7001 16.7862 19.7514 19.8764 20.3154 20.4162 k = 0.5000 0.1504 0.3997 ( 1042 PWs) bands (ev): -46.1385 -46.1385 -22.0495 -22.0261 -19.6592 -19.6206 -19.4933 -19.4861 4.5800 4.6614 10.3512 10.4010 10.8828 10.9223 11.7233 11.7884 14.6796 14.7758 15.7303 15.8394 16.6777 16.7663 19.8114 19.9339 20.3172 20.4136 k = 0.5000 0.1564 0.3912 ( 1044 PWs) bands (ev): -46.1389 -46.1389 -22.0481 -22.0253 -19.6587 -19.6217 -19.4889 -19.4824 4.5637 4.6426 10.3773 10.4278 10.8669 10.9067 11.6474 11.7093 14.7733 14.8717 15.7356 15.8452 16.6559 16.7468 19.8678 19.9877 20.3185 20.4106 k = 0.5000 0.1624 0.3827 ( 1042 PWs) bands (ev): -46.1393 -46.1393 -22.0466 -22.0245 -19.6581 -19.6227 -19.4845 -19.4787 4.5475 4.6238 10.4033 10.4547 10.8528 10.8929 11.5744 11.6332 14.8654 14.9660 15.7404 15.8505 16.6348 16.7280 19.9207 20.0375 20.3195 20.4071 k = 0.5000 0.1684 0.3742 ( 1040 PWs) bands (ev): -46.1396 -46.1396 -22.0450 -22.0238 -19.6575 -19.6237 -19.4801 -19.4751 4.5314 4.6048 10.4292 10.4813 10.8404 10.8808 11.5043 11.5599 14.9555 15.0583 15.7449 15.8553 16.6148 16.7101 19.9696 20.0831 20.3202 20.4033 k = 0.5000 0.1744 0.3657 ( 1040 PWs) bands (ev): -46.1399 -46.1399 -22.0436 -22.0231 -19.6569 -19.6248 -19.4759 -19.4715 4.5155 4.5860 10.4549 10.5076 10.8296 10.8704 11.4373 11.4898 15.0431 15.1481 15.7491 15.8596 16.5963 16.6934 20.0147 20.1245 20.3206 20.3992 k = 0.5000 0.1804 0.3572 ( 1036 PWs) bands (ev): -46.1401 -46.1401 -22.0420 -22.0224 -19.6563 -19.6258 -19.4717 -19.4679 4.4998 4.5673 10.4801 10.5335 10.8202 10.8615 11.3735 11.4230 15.1276 15.2349 15.7532 15.8635 16.5796 16.6782 20.0557 20.1615 20.3208 20.3948 k = 0.5000 0.1864 0.3487 ( 1036 PWs) bands (ev): -46.1405 -46.1405 -22.0406 -22.0218 -19.6557 -19.6268 -19.4677 -19.4645 4.4845 4.5488 10.5049 10.5587 10.8122 10.8540 11.3130 11.3594 15.2086 15.3179 15.7573 15.8670 16.5651 16.6647 20.0928 20.1941 20.3208 20.3902 k = 0.5000 0.1925 0.3402 ( 1042 PWs) bands (ev): -46.1410 -46.1410 -22.0392 -22.0214 -19.6551 -19.6279 -19.4639 -19.4611 4.4696 4.5307 10.5289 10.5833 10.8055 10.8479 11.2558 11.2993 15.2856 15.3966 15.7615 15.8703 16.5532 16.6534 20.1260 20.2223 20.3208 20.3854 k = 0.5000 0.1985 0.3317 ( 1040 PWs) bands (ev): -46.1412 -46.1412 -22.0378 -22.0209 -19.6544 -19.6289 -19.4601 -19.4578 4.4552 4.5130 10.5522 10.6070 10.7999 10.8429 11.2021 11.2426 15.3579 15.4702 15.7659 15.8733 16.5444 16.6443 20.1554 20.2462 20.3209 20.3805 k = 0.5000 0.2045 0.3232 ( 1040 PWs) bands (ev): -46.1415 -46.1415 -22.0364 -22.0204 -19.6537 -19.6299 -19.4566 -19.4547 4.4415 4.4958 10.5746 10.6296 10.7954 10.8389 11.1519 11.1896 15.4251 15.5378 15.7707 15.8761 16.5391 16.6379 20.1811 20.2658 20.3213 20.3756 k = 0.5000 0.2105 0.3147 ( 1036 PWs) bands (ev): -46.1417 -46.1417 -22.0350 -22.0200 -19.6530 -19.6309 -19.4532 -19.4517 4.4284 4.4792 10.5959 10.6510 10.7918 10.8359 11.1052 11.1402 15.4865 15.5987 15.7764 15.8788 16.5377 16.6343 20.2035 20.2809 20.3224 20.3706 k = 0.5000 0.2165 0.3062 ( 1040 PWs) bands (ev): -46.1421 -46.1421 -22.0337 -22.0198 -19.6523 -19.6319 -19.4501 -19.4488 4.4161 4.4633 10.6160 10.6711 10.7891 10.8335 11.0623 11.0946 15.5419 15.6516 15.7833 15.8812 16.5404 16.6337 20.2226 20.2915 20.3244 20.3657 k = 0.5000 0.2225 0.2977 ( 1038 PWs) bands (ev): -46.1423 -46.1423 -22.0324 -22.0195 -19.6516 -19.6329 -19.4471 -19.4461 4.4047 4.4481 10.6348 10.6895 10.7872 10.8317 11.0230 11.0529 15.5909 15.6953 15.7927 15.8836 16.5473 16.6359 20.2389 20.2979 20.3274 20.3609 k = 0.5000 0.2285 0.2892 ( 1042 PWs) bands (ev): -46.1427 -46.1427 -22.0312 -22.0194 -19.6509 -19.6339 -19.4444 -19.4437 4.3941 4.4338 10.6522 10.7059 10.7862 10.8302 10.9876 11.0153 15.6332 15.7281 15.8059 15.8859 16.5583 16.6410 20.2525 20.3014 20.3307 20.3563 k = 0.5000 0.2345 0.2807 ( 1042 PWs) bands (ev): -46.1429 -46.1429 -22.0300 -22.0194 -19.6502 -19.6348 -19.4419 -19.4414 4.3845 4.4205 10.6680 10.7202 10.7860 10.8286 10.9563 10.9819 15.6689 15.7499 15.8232 15.8881 16.5728 16.6485 20.2638 20.3032 20.3332 20.3518 k = 0.5000 0.2406 0.2722 ( 1048 PWs) bands (ev): -46.1433 -46.1433 -22.0290 -22.0194 -19.6495 -19.6359 -19.4397 -19.4393 4.3760 4.4081 10.6821 10.7317 10.7868 10.8266 10.9293 10.9530 15.6982 15.7636 15.8421 15.8904 16.5900 16.6578 20.2732 20.3041 20.3344 20.3474 k = 0.5000 0.2466 0.2637 ( 1046 PWs) bands (ev): -46.1434 -46.1434 -22.0279 -22.0195 -19.6487 -19.6368 -19.4376 -19.4374 4.3686 4.3968 10.6946 10.7401 10.7885 10.8235 10.9070 10.9288 15.7217 15.7729 15.8595 15.8926 16.6091 16.6684 20.2810 20.3048 20.3343 20.3433 k = 0.5000 0.2526 0.2552 ( 1046 PWs) bands (ev): -46.1435 -46.1435 -22.0268 -22.0196 -19.6479 -19.6377 -19.4359 -19.4357 4.3623 4.3866 10.7053 10.7454 10.7908 10.8189 10.8899 10.9095 15.7400 15.7798 15.8740 15.8949 16.6289 16.6794 20.2874 20.3055 20.3331 20.3393 k = 0.5000 0.2586 0.2467 ( 1050 PWs) bands (ev): -46.1438 -46.1438 -22.0259 -22.0199 -19.6472 -19.6387 -19.4344 -19.4343 4.3573 4.3775 10.7142 10.7480 10.7930 10.8128 10.8780 10.8951 15.7539 15.7849 15.8852 15.8973 16.6483 16.6900 20.2929 20.3063 20.3310 20.3354 k = 0.5000 0.2646 0.2381 ( 1052 PWs) bands (ev): -46.1440 -46.1440 -22.0250 -22.0202 -19.6464 -19.6396 -19.4332 -19.4332 4.3535 4.3697 10.7213 10.7484 10.7944 10.8061 10.8709 10.8850 15.7646 15.7885 15.8934 15.8996 16.6663 16.6993 20.2976 20.3074 20.3284 20.3316 k = 0.5000 0.2706 0.2296 ( 1052 PWs) bands (ev): -46.1440 -46.1440 -22.0242 -22.0205 -19.6456 -19.6405 -19.4322 -19.4322 4.3509 4.3631 10.7270 10.7472 10.7947 10.8000 10.8674 10.8784 15.7728 15.7905 15.8991 15.9017 16.6821 16.7066 20.3018 20.3087 20.3256 20.3277 k = 0.5000 0.2766 0.2211 ( 1056 PWs) bands (ev): -46.1442 -46.1442 -22.0235 -22.0210 -19.6448 -19.6414 -19.4316 -19.4316 4.3497 4.3578 10.7314 10.7449 10.7941 10.7958 10.8665 10.8740 15.7791 15.7910 15.9027 15.9034 16.6949 16.7111 20.3056 20.3102 20.3229 20.3240 k = 0.5000 0.2827 0.2126 ( 1056 PWs) bands (ev): -46.1443 -46.1443 -22.0227 -22.0215 -19.6440 -19.6423 -19.4312 -19.4312 4.3497 4.3538 10.7352 10.7419 10.7933 10.7935 10.8671 10.8709 15.7840 15.7900 15.9046 15.9047 16.7044 16.7125 20.3090 20.3115 20.3206 20.3208 k = 0.5000 0.2887 0.2041 ( 1056 PWs) bands (ev): -46.1443 -46.1443 -22.0221 -22.0221 -19.6431 -19.6431 -19.4311 -19.4311 4.3511 4.3511 10.7386 10.7386 10.7929 10.7929 10.8687 10.8687 15.7877 15.7877 15.9051 15.9051 16.7103 16.7103 20.3113 20.3113 20.3194 20.3194 k = 0.5000 0.2887 0.2041 ( 1056 PWs) bands (ev): -46.1443 -46.1443 -22.0221 -22.0221 -19.6431 -19.6431 -19.4311 -19.4311 4.3511 4.3511 10.7386 10.7386 10.7929 10.7929 10.8687 10.8687 15.7877 15.7877 15.9051 15.9051 16.7103 16.7103 20.3113 20.3113 20.3194 20.3194 k = 0.4970 0.2870 0.2138 ( 1056 PWs) bands (ev): -46.1443 -46.1443 -22.0227 -22.0215 -19.6440 -19.6423 -19.4312 -19.4312 4.3497 4.3537 10.7352 10.7419 10.7934 10.7934 10.8671 10.8709 15.7841 15.7900 15.9046 15.9046 16.7045 16.7125 20.3090 20.3115 20.3206 20.3208 k = 0.4940 0.2852 0.2236 ( 1056 PWs) bands (ev): -46.1442 -46.1442 -22.0234 -22.0210 -19.6448 -19.6414 -19.4316 -19.4316 4.3496 4.3577 10.7315 10.7448 10.7948 10.7950 10.8665 10.8739 15.7793 15.7910 15.9030 15.9032 16.6952 16.7112 20.3057 20.3102 20.3229 20.3238 k = 0.4911 0.2835 0.2333 ( 1054 PWs) bands (ev): -46.1441 -46.1441 -22.0242 -22.0206 -19.6456 -19.6405 -19.4322 -19.4322 4.3509 4.3629 10.7271 10.7467 10.7974 10.7978 10.8674 10.8780 15.7731 15.7905 15.9001 15.9008 16.6825 16.7067 20.3020 20.3086 20.3258 20.3274 k = 0.4881 0.2818 0.2430 ( 1048 PWs) bands (ev): -46.1438 -46.1438 -22.0250 -22.0201 -19.6463 -19.6396 -19.4331 -19.4331 4.3533 4.3694 10.7215 10.7465 10.8015 10.8018 10.8705 10.8839 15.7654 15.7883 15.8959 15.8973 16.6670 16.6997 20.2982 20.3069 20.3289 20.3309 k = 0.4851 0.2801 0.2527 ( 1050 PWs) bands (ev): -46.1438 -46.1438 -22.0259 -22.0199 -19.6472 -19.6387 -19.4343 -19.4343 4.3571 4.3771 10.7139 10.7428 10.8073 10.8077 10.8766 10.8919 15.7559 15.7843 15.8900 15.8924 16.6494 16.6906 20.2940 20.3052 20.3321 20.3342 k = 0.4821 0.2784 0.2624 ( 1052 PWs) bands (ev): -46.1437 -46.1437 -22.0268 -22.0197 -19.6479 -19.6378 -19.4358 -19.4357 4.3620 4.3860 10.7040 10.7349 10.8143 10.8167 10.8861 10.9025 15.7441 15.7782 15.8824 15.8856 16.6304 16.6804 20.2895 20.3035 20.3353 20.3370 k = 0.4792 0.2766 0.2722 ( 1050 PWs) bands (ev): -46.1435 -46.1435 -22.0278 -22.0195 -19.6487 -19.6369 -19.4375 -19.4373 4.3681 4.3960 10.6914 10.7230 10.8233 10.8283 10.8988 10.9160 15.7298 15.7701 15.8728 15.8762 16.6113 16.6700 20.2843 20.3016 20.3384 20.3391 k = 0.4762 0.2749 0.2819 ( 1048 PWs) bands (ev): -46.1433 -46.1433 -22.0289 -22.0194 -19.6494 -19.6359 -19.4395 -19.4392 4.3754 4.4071 10.6759 10.7074 10.8342 10.8425 10.9146 10.9323 15.7122 15.7597 15.8611 15.8632 16.5932 16.6602 20.2784 20.2995 20.3403 20.3411 k = 0.4732 0.2732 0.2916 ( 1048 PWs) bands (ev): -46.1431 -46.1431 -22.0300 -22.0194 -19.6502 -19.6350 -19.4417 -19.4413 4.3837 4.4193 10.6578 10.6888 10.8472 10.8590 10.9334 10.9515 15.6907 15.7471 15.8458 15.8473 16.5776 16.6522 20.2715 20.2969 20.3403 20.3434 k = 0.4702 0.2715 0.3013 ( 1042 PWs) bands (ev): -46.1427 -46.1427 -22.0311 -22.0194 -19.6508 -19.6340 -19.4441 -19.4435 4.3931 4.4324 10.6371 10.6674 10.8624 10.8779 10.9549 10.9735 15.6646 15.7318 15.8234 15.8317 16.5657 16.6468 20.2632 20.2937 20.3389 20.3451 k = 0.4673 0.2698 0.3110 ( 1040 PWs) bands (ev): -46.1424 -46.1424 -22.0323 -22.0196 -19.6515 -19.6330 -19.4467 -19.4460 4.4034 4.4464 10.6140 10.6437 10.8798 10.8990 10.9791 10.9982 15.6332 15.7131 15.7960 15.8144 16.5586 16.6448 20.2535 20.2897 20.3360 20.3461 k = 0.4643 0.2681 0.3208 ( 1041 PWs) bands (ev): -46.1422 -46.1422 -22.0336 -22.0198 -19.6523 -19.6320 -19.4496 -19.4486 4.4146 4.4613 10.5889 10.6179 10.8995 10.9223 11.0056 11.0253 15.5958 15.6891 15.7651 15.7961 16.5570 16.6466 20.2419 20.2845 20.3314 20.3461 k = 0.4613 0.2663 0.3305 ( 1043 PWs) bands (ev): -46.1420 -46.1420 -22.0349 -22.0201 -19.6530 -19.6311 -19.4527 -19.4515 4.4267 4.4769 10.5618 10.5902 10.9216 10.9480 11.0346 11.0549 15.5521 15.6567 15.7341 15.7771 16.5611 16.6526 20.2284 20.2779 20.3250 20.3451 k = 0.4583 0.2646 0.3402 ( 1045 PWs) bands (ev): -46.1417 -46.1417 -22.0362 -22.0204 -19.6537 -19.6301 -19.4560 -19.4545 4.4395 4.4932 10.5331 10.5610 10.9462 10.9760 11.0658 11.0869 15.5019 15.6128 15.7064 15.7577 16.5709 16.6629 20.2125 20.2695 20.3168 20.3428 k = 0.4554 0.2629 0.3499 ( 1043 PWs) bands (ev): -46.1414 -46.1414 -22.0376 -22.0208 -19.6544 -19.6291 -19.4594 -19.4575 4.4530 4.5100 10.5030 10.5303 10.9732 11.0065 11.0991 11.1210 15.4455 15.5579 15.6822 15.7383 16.5861 16.6773 20.1942 20.2589 20.3070 20.3392 k = 0.4524 0.2612 0.3596 ( 1043 PWs) bands (ev): -46.1411 -46.1411 -22.0390 -22.0213 -19.6551 -19.6281 -19.4630 -19.4607 4.4671 4.5274 10.4715 10.4984 11.0028 11.0395 11.1345 11.1573 15.3832 15.4943 15.6601 15.7190 16.6060 16.6956 20.1732 20.2454 20.2956 20.3340 k = 0.4494 0.2595 0.3694 ( 1041 PWs) bands (ev): -46.1407 -46.1407 -22.0404 -22.0218 -19.6557 -19.6271 -19.4667 -19.4640 4.4817 4.5452 10.4390 10.4655 11.0350 11.0751 11.1718 11.1956 15.3157 15.4240 15.6390 15.6998 16.6302 16.7175 20.1493 20.2287 20.2830 20.3272 k = 0.4464 0.2577 0.3791 ( 1043 PWs) bands (ev): -46.1404 -46.1404 -22.0418 -22.0224 -19.6564 -19.6262 -19.4706 -19.4674 4.4967 4.5632 10.4055 10.4316 11.0699 11.1134 11.2109 11.2358 15.2435 15.3482 15.6186 15.6809 16.6580 16.7425 20.1224 20.2083 20.2691 20.3185 k = 0.4435 0.2560 0.3888 ( 1043 PWs) bands (ev): -46.1401 -46.1401 -22.0433 -22.0230 -19.6571 -19.6252 -19.4746 -19.4708 4.5120 4.5815 10.3713 10.3970 11.1076 11.1544 11.2517 11.2777 15.1671 15.2680 15.5986 15.6624 16.6889 16.7704 20.0925 20.1841 20.2539 20.3079 k = 0.4405 0.2543 0.3985 ( 1043 PWs) bands (ev): -46.1397 -46.1397 -22.0447 -22.0237 -19.6578 -19.6242 -19.4786 -19.4743 4.5276 4.5999 10.3365 10.3618 11.1481 11.1982 11.2941 11.3214 15.0872 15.1843 15.5790 15.6443 16.7223 16.8006 20.0594 20.1561 20.2373 20.2953 k = 0.4375 0.2526 0.4082 ( 1045 PWs) bands (ev): -46.1394 -46.1394 -22.0462 -22.0245 -19.6584 -19.6233 -19.4827 -19.4778 4.5433 4.6182 10.3012 10.3262 11.1915 11.2450 11.3379 11.3666 15.0042 15.0975 15.5599 15.6267 16.7579 16.8328 20.0231 20.1244 20.2191 20.2804 k = 0.4345 0.2509 0.4180 ( 1045 PWs) bands (ev): -46.1391 -46.1391 -22.0476 -22.0253 -19.6591 -19.6223 -19.4869 -19.4813 4.5591 4.6365 10.2656 10.2902 11.2378 11.2947 11.3830 11.4133 14.9187 15.0084 15.5415 15.6098 16.7951 16.8665 19.9838 20.0891 20.1991 20.2633 k = 0.4315 0.2492 0.4277 ( 1045 PWs) bands (ev): -46.1387 -46.1387 -22.0491 -22.0261 -19.6598 -19.6214 -19.4911 -19.4848 4.5749 4.6547 10.2299 10.2540 11.2871 11.3475 11.4294 11.4613 14.8311 14.9173 15.5237 15.5938 16.8336 16.9014 19.9415 20.0505 20.1770 20.2438 k = 0.4286 0.2474 0.4374 ( 1049 PWs) bands (ev): -46.1385 -46.1385 -22.0506 -22.0270 -19.6604 -19.6205 -19.4953 -19.4883 4.5906 4.6725 10.1940 10.2178 11.3393 11.4034 11.4767 11.5105 14.7418 14.8247 15.5068 15.5786 16.8729 16.9371 19.8963 20.0088 20.1528 20.2218 k = 0.4256 0.2457 0.4471 ( 1046 PWs) bands (ev): -46.1380 -46.1380 -22.0520 -22.0278 -19.6611 -19.6196 -19.4995 -19.4916 4.6061 4.6901 10.1583 10.1816 11.3945 11.4623 11.5249 11.5608 14.6512 14.7311 15.4909 15.5645 16.9127 16.9731 19.8485 19.9642 20.1264 20.1974 k = 0.4226 0.2440 0.4568 ( 1044 PWs) bands (ev): -46.1376 -46.1376 -22.0533 -22.0287 -19.6617 -19.6188 -19.5036 -19.4949 4.6213 4.7071 10.1226 10.1456 11.4525 11.5243 11.5740 11.6121 14.5595 14.6366 15.4763 15.5516 16.9525 17.0090 19.7983 19.9171 20.0976 20.1704 k = 0.4196 0.2423 0.4666 ( 1044 PWs) bands (ev): -46.1372 -46.1372 -22.0547 -22.0296 -19.6624 -19.6180 -19.5076 -19.4982 4.6361 4.7237 10.0872 10.1097 11.5132 11.5890 11.6239 11.6644 14.4672 14.5417 15.4630 15.5401 16.9919 17.0445 19.7461 19.8679 20.0665 20.1408 k = 0.4167 0.2406 0.4763 ( 1040 PWs) bands (ev): -46.1367 -46.1367 -22.0560 -22.0305 -19.6630 -19.6173 -19.5115 -19.5012 4.6506 4.7397 10.0521 10.0742 11.5763 11.6552 11.6759 11.7178 14.3745 14.4467 15.4512 15.5302 17.0305 17.0789 19.6923 19.8169 20.0330 20.1087 k = 0.4137 0.2388 0.4860 ( 1044 PWs) bands (ev): -46.1365 -46.1365 -22.0573 -22.0315 -19.6637 -19.6167 -19.5153 -19.5042 4.6646 4.7550 10.0174 10.0391 11.6414 11.7156 11.7369 11.7724 14.2816 14.3517 15.4412 15.5219 17.0677 17.1118 19.6374 19.7649 19.9972 20.0741 k = 0.4107 0.2371 0.4957 ( 1044 PWs) bands (ev): -46.1362 -46.1362 -22.0585 -22.0324 -19.6644 -19.6162 -19.5189 -19.5071 4.6780 4.7696 9.9832 10.0044 11.7077 11.7676 11.8092 11.8287 14.1889 14.2572 15.4330 15.5156 17.1031 17.1426 19.5820 19.7123 19.9590 20.0370 k = 0.4077 0.2354 0.5055 ( 1040 PWs) bands (ev): -46.1357 -46.1357 -22.0597 -22.0333 -19.6650 -19.6157 -19.5223 -19.5097 4.6908 4.7833 9.9495 9.9702 11.7740 11.8172 11.8866 11.8876 14.0966 14.1634 15.4269 15.5112 17.1361 17.1708 19.5268 19.6599 19.9186 19.9975 k = 0.4048 0.2337 0.5152 ( 1040 PWs) bands (ev): -46.1354 -46.1354 -22.0608 -22.0342 -19.6656 -19.6155 -19.5254 -19.5123 4.7030 4.7963 9.9163 9.9366 11.8387 11.8658 11.9503 11.9675 14.0050 14.0706 15.4230 15.5091 17.1660 17.1958 19.4725 19.6083 19.8760 19.9557 k = 0.4018 0.2320 0.5249 ( 1042 PWs) bands (ev): -46.1352 -46.1352 -22.0619 -22.0352 -19.6663 -19.6154 -19.5283 -19.5146 4.7145 4.8084 9.8838 9.9036 11.9000 11.9132 12.0181 12.0515 13.9142 13.9790 15.4216 15.5093 17.1922 17.2169 19.4199 19.5585 19.8314 19.9117 k = 0.3988 0.2303 0.5346 ( 1042 PWs) bands (ev): -46.1349 -46.1349 -22.0629 -22.0361 -19.6670 -19.6154 -19.5310 -19.5167 4.7252 4.8195 9.8519 9.8712 11.9570 11.9595 12.0916 12.1382 13.8246 13.8891 15.4227 15.5120 17.2140 17.2334 19.3701 19.5112 19.7849 19.8657 k = 0.3958 0.2285 0.5443 ( 1042 PWs) bands (ev): -46.1347 -46.1346 -22.0638 -22.0369 -19.6676 -19.6156 -19.5333 -19.5187 4.7352 4.8296 9.8206 9.8395 12.0043 12.0096 12.1701 12.2275 13.7365 13.8011 15.4265 15.5173 17.2306 17.2447 19.3238 19.4674 19.7367 19.8179 k = 0.3929 0.2268 0.5541 ( 1041 PWs) bands (ev): -46.1344 -46.1344 -22.0646 -22.0378 -19.6682 -19.6159 -19.5352 -19.5204 4.7443 4.8388 9.7900 9.8084 12.0474 12.0583 12.2523 12.3189 13.6502 13.7156 15.4332 15.5253 17.2415 17.2502 19.2822 19.4278 19.6871 19.7684 k = 0.3899 0.2251 0.5638 ( 1043 PWs) bands (ev): -46.1342 -46.1342 -22.0654 -22.0386 -19.6687 -19.6164 -19.5369 -19.5220 4.7525 4.8469 9.7601 9.7781 12.0887 12.1036 12.3370 12.4120 13.5662 13.6333 15.4428 15.5362 17.2459 17.2494 19.2460 19.3933 19.6364 19.7176 k = 0.3869 0.2234 0.5735 ( 1043 PWs) bands (ev): -46.1340 -46.1340 -22.0661 -22.0393 -19.6692 -19.6171 -19.5382 -19.5233 4.7599 4.8540 9.7309 9.7484 12.1278 12.1456 12.4227 12.5061 13.4851 13.5550 15.4555 15.5500 17.2419 17.2435 19.2161 19.3645 19.5849 19.6656 k = 0.3839 0.2217 0.5832 ( 1041 PWs) bands (ev): -46.1338 -46.1338 -22.0666 -22.0400 -19.6697 -19.6179 -19.5391 -19.5244 4.7665 4.8601 9.7024 9.7194 12.1645 12.1845 12.5074 12.5998 13.4082 13.4822 15.4713 15.5667 17.2275 17.2341 19.1931 19.3415 19.5333 19.6129 k = 0.3810 0.2199 0.5929 ( 1037 PWs) bands (ev): -46.1335 -46.1335 -22.0670 -22.0406 -19.6700 -19.6188 -19.5396 -19.5252 4.7720 4.8650 9.6746 9.6911 12.1987 12.2202 12.5887 12.6911 13.3373 13.4170 15.4902 15.5863 17.2065 17.2175 19.1774 19.3243 19.4824 19.5597 k = 0.3780 0.2182 0.6027 ( 1043 PWs) bands (ev): -46.1335 -46.1335 -22.0674 -22.0412 -19.6704 -19.6199 -19.5399 -19.5260 4.7767 4.8688 9.6475 9.6635 12.2302 12.2526 12.6625 12.7752 13.2769 13.3631 15.5122 15.6088 17.1790 17.1943 19.1690 19.3112 19.4342 19.5066 k = 0.3750 0.2165 0.6124 ( 1043 PWs) bands (ev): -46.1334 -46.1334 -22.0677 -22.0418 -19.6706 -19.6210 -19.5399 -19.5264 4.7804 4.8716 9.6210 9.6366 12.2587 12.2817 12.7224 12.8426 13.2363 13.3266 15.5372 15.6341 17.1458 17.1649 19.1676 19.2975 19.3938 19.4542 k = 0.6250-0.0722 0.4082 ( 1043 PWs) bands (ev): -46.1334 -46.1334 -22.0677 -22.0418 -19.6706 -19.6210 -19.5399 -19.5264 4.7804 4.8716 9.6210 9.6366 12.2587 12.2817 12.7224 12.8426 13.2363 13.3266 15.5372 15.6341 17.1458 17.1649 19.1676 19.2975 19.3938 19.4542 k = 0.6198-0.0812 0.4082 ( 1043 PWs) bands (ev): -46.1333 -46.1333 -22.0679 -22.0426 -19.6709 -19.6231 -19.5394 -19.5270 4.7858 4.8751 9.5752 9.5900 12.3058 12.3293 12.8063 12.9293 13.2007 13.2880 15.5835 15.6806 17.0850 17.1106 19.1666 19.2421 19.3588 19.3656 k = 0.6146-0.0902 0.4082 ( 1033 PWs) bands (ev): -46.1329 -46.1329 -22.0680 -22.0432 -19.6710 -19.6251 -19.5387 -19.5273 4.7906 4.8778 9.5296 9.5437 12.3526 12.3766 12.8787 12.9898 13.1941 13.2640 15.6295 15.7269 17.0281 17.0606 19.1530 19.1594 19.2851 19.3465 k = 0.6094-0.0992 0.4082 ( 1037 PWs) bands (ev): -46.1329 -46.1329 -22.0682 -22.0441 -19.6712 -19.6273 -19.5379 -19.5276 4.7949 4.8797 9.4845 9.4979 12.3989 12.4232 12.9333 13.0068 13.2331 13.2600 15.6753 15.7727 16.9762 17.0158 19.0710 19.1142 19.2251 19.3350 k = 0.6042-0.1083 0.4082 ( 1037 PWs) bands (ev): -46.1328 -46.1328 -22.0682 -22.0448 -19.6714 -19.6296 -19.5369 -19.5277 4.7987 4.8810 9.4399 9.4526 12.4447 12.4693 12.9650 12.9953 13.2803 13.3020 15.7208 15.8181 16.9302 16.9770 18.9818 19.0460 19.1896 19.3192 k = 0.5990-0.1173 0.4082 ( 1037 PWs) bands (ev): -46.1327 -46.1327 -22.0682 -22.0456 -19.6715 -19.6319 -19.5357 -19.5276 4.8021 4.8817 9.3960 9.4081 12.4896 12.5145 12.9762 12.9763 13.3215 13.3788 15.7660 15.8631 16.8908 16.9451 18.8932 18.9649 19.1622 19.2980 k = 0.5938-0.1263 0.4082 ( 1037 PWs) bands (ev): -46.1326 -46.1326 -22.0681 -22.0463 -19.6716 -19.6342 -19.5345 -19.5274 4.8050 4.8817 9.3532 9.3645 12.5336 12.5589 12.9575 12.9759 13.3741 13.4547 15.8107 15.9074 16.8591 16.9207 18.8058 18.8804 19.1331 19.2707 k = 0.5885-0.1353 0.4082 ( 1037 PWs) bands (ev): -46.1326 -46.1326 -22.0679 -22.0470 -19.6717 -19.6364 -19.5332 -19.5271 4.8077 4.8812 9.3114 9.3221 12.5764 12.6022 12.9416 12.9709 13.4302 13.5263 15.8550 15.9510 16.8357 16.9046 18.7198 18.7957 19.0996 19.2372 k = 0.5833-0.1443 0.4082 ( 1037 PWs) bands (ev): -46.1325 -46.1325 -22.0677 -22.0477 -19.6718 -19.6387 -19.5319 -19.5266 4.8100 4.8802 9.2710 9.2811 12.6178 12.6443 12.9295 12.9651 13.4849 13.5918 15.8988 15.9939 16.8214 16.8974 18.6357 18.7119 19.0606 19.1973 k = 0.5781-0.1534 0.4082 ( 1037 PWs) bands (ev): -46.1325 -46.1325 -22.0674 -22.0485 -19.6718 -19.6410 -19.5305 -19.5261 4.8121 4.8788 9.2321 9.2416 12.6576 12.6850 12.9216 12.9607 13.5357 13.6501 15.9420 16.0359 16.8168 16.8995 18.5538 18.6296 19.0158 19.1512 k = 0.5729-0.1624 0.4082 ( 1037 PWs) bands (ev): -46.1324 -46.1324 -22.0671 -22.0492 -19.6718 -19.6432 -19.5291 -19.5255 4.8139 4.8770 9.1949 9.2038 12.6953 12.7241 12.9178 12.9583 13.5812 13.7007 15.9846 16.0769 16.8224 16.9113 18.4743 18.5493 18.9652 19.0990 k = 0.5677-0.1714 0.4082 ( 1037 PWs) bands (ev): -46.1324 -46.1324 -22.0667 -22.0499 -19.6718 -19.6453 -19.5278 -19.5248 4.8156 4.8749 9.1596 9.1678 12.7308 12.7614 12.9182 12.9583 13.6207 13.7431 16.0264 16.1168 16.8385 16.9329 18.3975 18.4714 18.9087 19.0408 k = 0.5625-0.1804 0.4082 ( 1033 PWs) bands (ev): -46.1322 -46.1322 -22.0662 -22.0505 -19.6716 -19.6473 -19.5265 -19.5241 4.8171 4.8724 9.1262 9.1339 12.7636 12.7967 12.9226 12.9607 13.6538 13.7771 16.0675 16.1554 16.8651 16.9642 18.3238 18.3960 18.8466 18.9769 k = 0.5573-0.1894 0.4082 ( 1033 PWs) bands (ev): -46.1322 -46.1322 -22.0658 -22.0512 -19.6715 -19.6494 -19.5252 -19.5233 4.8185 4.8698 9.0951 9.1021 12.7936 12.8298 12.9309 12.9654 13.6808 13.8031 16.1076 16.1925 16.9019 17.0051 18.2536 18.3236 18.7791 18.9075 k = 0.5521-0.1985 0.4082 ( 1033 PWs) bands (ev): -46.1322 -46.1322 -22.0653 -22.0519 -19.6714 -19.6513 -19.5240 -19.5226 4.8199 4.8669 9.0662 9.0726 12.8205 12.8605 12.9426 12.9720 13.7020 13.8214 16.1465 16.2279 16.9486 17.0551 18.1873 18.2545 18.7065 18.8330 k = 0.5469-0.2075 0.4082 ( 1035 PWs) bands (ev): -46.1323 -46.1323 -22.0648 -22.0527 -19.6712 -19.6532 -19.5229 -19.5219 4.8213 4.8639 9.0398 9.0456 12.8447 12.8883 12.9569 12.9803 13.7181 13.8327 16.1841 16.2613 17.0045 17.1136 18.1253 18.1891 18.6292 18.7538 k = 0.5417-0.2165 0.4082 ( 1041 PWs) bands (ev): -46.1324 -46.1324 -22.0643 -22.0535 -19.6710 -19.6551 -19.5219 -19.5212 4.8226 4.8609 9.0158 9.0210 12.8663 12.9131 12.9730 12.9900 13.7298 13.8378 16.2201 16.2922 17.0689 17.1799 18.0682 18.1279 18.5475 18.6702 k = 0.5365-0.2255 0.4082 ( 1037 PWs) bands (ev): -46.1323 -46.1323 -22.0637 -22.0541 -19.6706 -19.6567 -19.5210 -19.5205 4.8241 4.8577 8.9946 8.9991 12.8861 12.9344 12.9895 13.0008 13.7380 13.8377 16.2542 16.3204 17.1409 17.2534 18.0166 18.0711 18.4618 18.5828 k = 0.5312-0.2345 0.4082 ( 1037 PWs) bands (ev): -46.1323 -46.1323 -22.0631 -22.0548 -19.6702 -19.6584 -19.5202 -19.5199 4.8256 4.8546 8.9760 8.9799 12.9043 12.9519 13.0056 13.0121 13.7437 13.8333 16.2859 16.3454 17.2195 17.3330 17.9709 18.0194 18.3728 18.4919 k = 0.5260-0.2436 0.4082 ( 1034 PWs) bands (ev): -46.1322 -46.1322 -22.0624 -22.0555 -19.6697 -19.6598 -19.5195 -19.5193 4.8272 4.8515 8.9602 8.9635 12.9211 12.9655 13.0204 13.0235 13.7480 13.8258 16.3149 16.3666 17.3036 17.4178 17.9319 17.9733 18.2809 18.3981 k = 0.5208-0.2526 0.4082 ( 1034 PWs) bands (ev): -46.1322 -46.1322 -22.0618 -22.0562 -19.6691 -19.6613 -19.5189 -19.5188 4.8290 4.8485 8.9473 8.9499 12.9364 12.9752 13.0332 13.0342 13.7517 13.8161 16.3407 16.3836 17.3922 17.5069 17.9001 17.9331 18.1869 18.3021 k = 0.5156-0.2616 0.4082 ( 1034 PWs) bands (ev): -46.1322 -46.1322 -22.0611 -22.0569 -19.6684 -19.6626 -19.5185 -19.5184 4.8309 4.8456 8.9372 8.9392 12.9502 12.9812 13.0435 13.0436 13.7557 13.8054 16.3629 16.3961 17.4842 17.5989 17.8763 17.8994 18.0920 18.2044 k = 0.5104-0.2706 0.4082 ( 1034 PWs) bands (ev): -46.1322 -46.1322 -22.0604 -22.0577 -19.6677 -19.6638 -19.5181 -19.5181 4.8329 4.8427 8.9301 8.9315 12.9620 12.9836 13.0508 13.0510 13.7606 13.7944 16.3809 16.4035 17.5781 17.6916 17.8608 17.8721 17.9989 18.1060 k = 0.5052-0.2797 0.4082 ( 1034 PWs) bands (ev): -46.1322 -46.1322 -22.0598 -22.0584 -19.6669 -19.6649 -19.5180 -19.5180 4.8351 4.8400 8.9260 8.9267 12.9716 12.9826 13.0553 13.0556 13.7669 13.7840 16.3942 16.4057 17.6716 17.7725 17.8527 17.8547 17.9187 18.0086 k = 0.5000-0.2887 0.4082 ( 1034 PWs) bands (ev): -46.1322 -46.1322 -22.0591 -22.0591 -19.6659 -19.6659 -19.5179 -19.5179 4.8375 4.8375 8.9248 8.9248 12.9786 12.9786 13.0570 13.0570 13.7747 13.7747 16.4026 16.4026 17.7561 17.7561 17.8581 17.8581 17.9204 17.9204 Writing output data file MoC.save init_run : 3.16s CPU 12.86s WALL ( 1 calls) electrons : 109.11s CPU 112.46s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.21s CPU 1.33s WALL ( 1 calls) Called by electrons: c_bands : 109.08s CPU 112.07s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.85s WALL ( 1 calls) v_h : 0.01s CPU 0.20s WALL ( 1 calls) v_xc : 0.04s CPU 0.45s WALL ( 1 calls) newd : 0.29s CPU 0.46s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 446 calls) cegterg : 95.04s CPU 95.61s WALL ( 525 calls) Called by sum_band: Called by *egterg: h_psi : 48.76s CPU 52.33s WALL ( 7704 calls) s_psi : 2.61s CPU 3.37s WALL ( 7704 calls) g_psi : 0.04s CPU 0.09s WALL ( 6733 calls) cdiaghg : 32.11s CPU 31.37s WALL ( 7179 calls) cegterg:over : 8.81s CPU 6.90s WALL ( 6733 calls) cegterg:upda : 0.18s CPU 0.87s WALL ( 6733 calls) cegterg:last : 0.20s CPU 0.66s WALL ( 1570 calls) Called by h_psi: h_psi:vloc : 41.93s CPU 45.58s WALL ( 7704 calls) h_psi:vnl : 6.80s CPU 6.65s WALL ( 7704 calls) add_vuspsi : 0.81s CPU 2.28s WALL ( 7704 calls) General routines calbec : 5.96s CPU 4.28s WALL ( 7704 calls) fft : 0.14s CPU 1.05s WALL ( 19 calls) ffts : 0.03s CPU 0.10s WALL ( 4 calls) fftw : 40.08s CPU 43.45s WALL ( 529528 calls) interpolate : 0.03s CPU 0.11s WALL ( 4 calls) davcio : 0.02s CPU 0.33s WALL ( 892 calls) Parallel routines fft_scatter : 27.07s CPU 30.29s WALL ( 529551 calls) PWSCF : 2m18.73s CPU 3m23.27s WALL This run was terminated on: 7:56:44 27Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=