Program PWSCF v.5.1.1 starts on 26Aug2015 at 9:57:14 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: ./NbN.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 18 10 3 363 158 28 Max 19 11 4 365 173 32 Sum 889 517 163 17477 7991 1411 bravais-lattice index = 14 lattice parameter (alat) = 6.3471 a.u. unit-cell volume = 180.8079 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.347131 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Nb read from file: /home/autes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1227 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Nb 13.00 92.90640 Nb( 1.00) N 5.00 14.00670 N( 1.00) 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= 441 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 2) = ( 0.0074627 -0.0043086 0.0060933), wk = 0.0022676 k( 3) = ( 0.0149254 -0.0086172 0.0121865), wk = 0.0022676 k( 4) = ( 0.0223881 -0.0129258 0.0182798), wk = 0.0022676 k( 5) = ( 0.0298507 -0.0172343 0.0243730), wk = 0.0022676 k( 6) = ( 0.0373134 -0.0215429 0.0304663), wk = 0.0022676 k( 7) = ( 0.0447761 -0.0258515 0.0365595), wk = 0.0022676 k( 8) = ( 0.0522388 -0.0301601 0.0426528), wk = 0.0022676 k( 9) = ( 0.0597015 -0.0344687 0.0487461), wk = 0.0022676 k( 10) = ( 0.0671642 -0.0387773 0.0548393), wk = 0.0022676 k( 11) = ( 0.0746269 -0.0430858 0.0609326), wk = 0.0022676 k( 12) = ( 0.0820895 -0.0473944 0.0670258), wk = 0.0022676 k( 13) = ( 0.0895522 -0.0517030 0.0731191), wk = 0.0022676 k( 14) = ( 0.0970149 -0.0560116 0.0792124), wk = 0.0022676 k( 15) = ( 0.1044776 -0.0603202 0.0853056), wk = 0.0022676 k( 16) = ( 0.1119403 -0.0646288 0.0913989), wk = 0.0022676 k( 17) = ( 0.1194030 -0.0689373 0.0974921), wk = 0.0022676 k( 18) = ( 0.1268657 -0.0732459 0.1035854), wk = 0.0022676 k( 19) = ( 0.1343284 -0.0775545 0.1096786), wk = 0.0022676 k( 20) = ( 0.1417910 -0.0818631 0.1157719), wk = 0.0022676 k( 21) = ( 0.1492537 -0.0861717 0.1218652), wk = 0.0022676 k( 22) = ( 0.1567164 -0.0904803 0.1279584), wk = 0.0022676 k( 23) = ( 0.1641791 -0.0947888 0.1340517), wk = 0.0022676 k( 24) = ( 0.1716418 -0.0990974 0.1401449), wk = 0.0022676 k( 25) = ( 0.1791045 -0.1034060 0.1462382), wk = 0.0022676 k( 26) = ( 0.1865672 -0.1077146 0.1523314), wk = 0.0022676 k( 27) = ( 0.1940299 -0.1120232 0.1584247), wk = 0.0022676 k( 28) = ( 0.2014925 -0.1163318 0.1645180), wk = 0.0022676 k( 29) = ( 0.2089552 -0.1206404 0.1706112), wk = 0.0022676 k( 30) = ( 0.2164179 -0.1249489 0.1767045), wk = 0.0022676 k( 31) = ( 0.2238806 -0.1292575 0.1827977), wk = 0.0022676 k( 32) = ( 0.2313433 -0.1335661 0.1888910), wk = 0.0022676 k( 33) = ( 0.2388060 -0.1378747 0.1949843), wk = 0.0022676 k( 34) = ( 0.2462687 -0.1421833 0.2010775), wk = 0.0022676 k( 35) = ( 0.2537313 -0.1464919 0.2071708), wk = 0.0022676 k( 36) = ( 0.2611940 -0.1508004 0.2132640), wk = 0.0022676 k( 37) = ( 0.2686567 -0.1551090 0.2193573), wk = 0.0022676 k( 38) = ( 0.2761194 -0.1594176 0.2254505), wk = 0.0022676 k( 39) = ( 0.2835821 -0.1637262 0.2315438), wk = 0.0022676 k( 40) = ( 0.2910448 -0.1680348 0.2376371), wk = 0.0022676 k( 41) = ( 0.2985075 -0.1723434 0.2437303), wk = 0.0022676 k( 42) = ( 0.3059701 -0.1766519 0.2498236), wk = 0.0022676 k( 43) = ( 0.3134328 -0.1809605 0.2559168), wk = 0.0022676 k( 44) = ( 0.3208955 -0.1852691 0.2620101), wk = 0.0022676 k( 45) = ( 0.3283582 -0.1895777 0.2681034), wk = 0.0022676 k( 46) = ( 0.3358209 -0.1938863 0.2741966), wk = 0.0022676 k( 47) = ( 0.3432836 -0.1981949 0.2802899), wk = 0.0022676 k( 48) = ( 0.3507463 -0.2025035 0.2863831), wk = 0.0022676 k( 49) = ( 0.3582090 -0.2068120 0.2924764), wk = 0.0022676 k( 50) = ( 0.3656716 -0.2111206 0.2985696), wk = 0.0022676 k( 51) = ( 0.3731343 -0.2154292 0.3046629), wk = 0.0022676 k( 52) = ( 0.3805970 -0.2197378 0.3107562), wk = 0.0022676 k( 53) = ( 0.3880597 -0.2240464 0.3168494), wk = 0.0022676 k( 54) = ( 0.3955224 -0.2283550 0.3229427), wk = 0.0022676 k( 55) = ( 0.4029851 -0.2326635 0.3290359), wk = 0.0022676 k( 56) = ( 0.4104478 -0.2369721 0.3351292), wk = 0.0022676 k( 57) = ( 0.4179104 -0.2412807 0.3412225), wk = 0.0022676 k( 58) = ( 0.4253731 -0.2455893 0.3473157), wk = 0.0022676 k( 59) = ( 0.4328358 -0.2498979 0.3534090), wk = 0.0022676 k( 60) = ( 0.4402985 -0.2542065 0.3595022), wk = 0.0022676 k( 61) = ( 0.4477612 -0.2585150 0.3655955), wk = 0.0022676 k( 62) = ( 0.4552239 -0.2628236 0.3716887), wk = 0.0022676 k( 63) = ( 0.4626866 -0.2671322 0.3777820), wk = 0.0022676 k( 64) = ( 0.4701493 -0.2714408 0.3838753), wk = 0.0022676 k( 65) = ( 0.4776119 -0.2757494 0.3899685), wk = 0.0022676 k( 66) = ( 0.4850746 -0.2800580 0.3960618), wk = 0.0022676 k( 67) = ( 0.4925373 -0.2843665 0.4021550), wk = 0.0022676 k( 68) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0022676 k( 69) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0022676 k( 70) = ( 0.5000000 -0.2801847 0.4142519), wk = 0.0022676 k( 71) = ( 0.5000000 -0.2716942 0.4202556), wk = 0.0022676 k( 72) = ( 0.5000000 -0.2632038 0.4262592), wk = 0.0022676 k( 73) = ( 0.5000000 -0.2547134 0.4322629), wk = 0.0022676 k( 74) = ( 0.5000000 -0.2462229 0.4382666), wk = 0.0022676 k( 75) = ( 0.5000000 -0.2377325 0.4442702), wk = 0.0022676 k( 76) = ( 0.5000000 -0.2292420 0.4502739), wk = 0.0022676 k( 77) = ( 0.5000000 -0.2207516 0.4562775), wk = 0.0022676 k( 78) = ( 0.5000000 -0.2122611 0.4622812), wk = 0.0022676 k( 79) = ( 0.5000000 -0.2037707 0.4682848), wk = 0.0022676 k( 80) = ( 0.5000000 -0.1952802 0.4742885), wk = 0.0022676 k( 81) = ( 0.5000000 -0.1867898 0.4802921), wk = 0.0022676 k( 82) = ( 0.5000000 -0.1782993 0.4862958), wk = 0.0022676 k( 83) = ( 0.5000000 -0.1698089 0.4922994), wk = 0.0022676 k( 84) = ( 0.5000000 -0.1613185 0.4983031), wk = 0.0022676 k( 85) = ( 0.5000000 -0.1528280 0.5043067), wk = 0.0022676 k( 86) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0022676 k( 87) = ( 0.5000000 -0.1358471 0.5163140), wk = 0.0022676 k( 88) = ( 0.5000000 -0.1273567 0.5223177), wk = 0.0022676 k( 89) = ( 0.5000000 -0.1188662 0.5283213), wk = 0.0022676 k( 90) = ( 0.5000000 -0.1103758 0.5343250), wk = 0.0022676 k( 91) = ( 0.5000000 -0.1018853 0.5403286), wk = 0.0022676 k( 92) = ( 0.5000000 -0.0933949 0.5463323), wk = 0.0022676 k( 93) = ( 0.5000000 -0.0849044 0.5523359), wk = 0.0022676 k( 94) = ( 0.5000000 -0.0764140 0.5583396), wk = 0.0022676 k( 95) = ( 0.5000000 -0.0679236 0.5643432), wk = 0.0022676 k( 96) = ( 0.5000000 -0.0594331 0.5703469), wk = 0.0022676 k( 97) = ( 0.5000000 -0.0509427 0.5763505), wk = 0.0022676 k( 98) = ( 0.5000000 -0.0424522 0.5823542), wk = 0.0022676 k( 99) = ( 0.5000000 -0.0339618 0.5883578), wk = 0.0022676 k( 100) = ( 0.5000000 -0.0254713 0.5943615), wk = 0.0022676 k( 101) = ( 0.5000000 -0.0169809 0.6003651), wk = 0.0022676 k( 102) = ( 0.5000000 -0.0084904 0.6063688), wk = 0.0022676 k( 103) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0022676 k( 104) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0022676 k( 105) = ( 0.4947917 0.0090211 0.6123724), wk = 0.0022676 k( 106) = ( 0.4895833 0.0180422 0.6123724), wk = 0.0022676 k( 107) = ( 0.4843750 0.0270633 0.6123724), wk = 0.0022676 k( 108) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0022676 k( 109) = ( 0.4739583 0.0451055 0.6123724), wk = 0.0022676 k( 110) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0022676 k( 111) = ( 0.4635417 0.0631477 0.6123724), wk = 0.0022676 k( 112) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0022676 k( 113) = ( 0.4531250 0.0811899 0.6123724), wk = 0.0022676 k( 114) = ( 0.4479167 0.0902110 0.6123724), wk = 0.0022676 k( 115) = ( 0.4427083 0.0992321 0.6123724), wk = 0.0022676 k( 116) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0022676 k( 117) = ( 0.4322917 0.1172743 0.6123724), wk = 0.0022676 k( 118) = ( 0.4270833 0.1262954 0.6123724), wk = 0.0022676 k( 119) = ( 0.4218750 0.1353165 0.6123724), wk = 0.0022676 k( 120) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0022676 k( 121) = ( 0.4114583 0.1533587 0.6123724), wk = 0.0022676 k( 122) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0022676 k( 123) = ( 0.4010417 0.1714009 0.6123724), wk = 0.0022676 k( 124) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0022676 k( 125) = ( 0.3906250 0.1894431 0.6123724), wk = 0.0022676 k( 126) = ( 0.3854167 0.1984641 0.6123724), wk = 0.0022676 k( 127) = ( 0.3802083 0.2074853 0.6123724), wk = 0.0022676 k( 128) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0022676 k( 129) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0022676 k( 130) = ( 0.3697183 0.2134570 0.6037475), wk = 0.0022676 k( 131) = ( 0.3644366 0.2104076 0.5951225), wk = 0.0022676 k( 132) = ( 0.3591549 0.2073582 0.5864975), wk = 0.0022676 k( 133) = ( 0.3538732 0.2043088 0.5778726), wk = 0.0022676 k( 134) = ( 0.3485915 0.2012594 0.5692476), wk = 0.0022676 k( 135) = ( 0.3433099 0.1982100 0.5606227), wk = 0.0022676 k( 136) = ( 0.3380282 0.1951607 0.5519977), wk = 0.0022676 k( 137) = ( 0.3327465 0.1921113 0.5433727), wk = 0.0022676 k( 138) = ( 0.3274648 0.1890619 0.5347478), wk = 0.0022676 k( 139) = ( 0.3221831 0.1860125 0.5261228), wk = 0.0022676 k( 140) = ( 0.3169014 0.1829631 0.5174978), wk = 0.0022676 k( 141) = ( 0.3116197 0.1799137 0.5088729), wk = 0.0022676 k( 142) = ( 0.3063380 0.1768643 0.5002479), wk = 0.0022676 k( 143) = ( 0.3010563 0.1738150 0.4916229), wk = 0.0022676 k( 144) = ( 0.2957746 0.1707656 0.4829980), wk = 0.0022676 k( 145) = ( 0.2904930 0.1677162 0.4743730), wk = 0.0022676 k( 146) = ( 0.2852113 0.1646668 0.4657481), wk = 0.0022676 k( 147) = ( 0.2799296 0.1616174 0.4571231), wk = 0.0022676 k( 148) = ( 0.2746479 0.1585680 0.4484981), wk = 0.0022676 k( 149) = ( 0.2693662 0.1555186 0.4398732), wk = 0.0022676 k( 150) = ( 0.2640845 0.1524693 0.4312482), wk = 0.0022676 k( 151) = ( 0.2588028 0.1494199 0.4226232), wk = 0.0022676 k( 152) = ( 0.2535211 0.1463705 0.4139983), wk = 0.0022676 k( 153) = ( 0.2482394 0.1433211 0.4053733), wk = 0.0022676 k( 154) = ( 0.2429578 0.1402717 0.3967483), wk = 0.0022676 k( 155) = ( 0.2376761 0.1372223 0.3881234), wk = 0.0022676 k( 156) = ( 0.2323944 0.1341730 0.3794984), wk = 0.0022676 k( 157) = ( 0.2271127 0.1311236 0.3708734), wk = 0.0022676 k( 158) = ( 0.2218310 0.1280742 0.3622485), wk = 0.0022676 k( 159) = ( 0.2165493 0.1250248 0.3536235), wk = 0.0022676 k( 160) = ( 0.2112676 0.1219754 0.3449986), wk = 0.0022676 k( 161) = ( 0.2059859 0.1189260 0.3363736), wk = 0.0022676 k( 162) = ( 0.2007042 0.1158766 0.3277486), wk = 0.0022676 k( 163) = ( 0.1954225 0.1128273 0.3191237), wk = 0.0022676 k( 164) = ( 0.1901409 0.1097779 0.3104987), wk = 0.0022676 k( 165) = ( 0.1848591 0.1067285 0.3018737), wk = 0.0022676 k( 166) = ( 0.1795775 0.1036791 0.2932488), wk = 0.0022676 k( 167) = ( 0.1742958 0.1006297 0.2846238), wk = 0.0022676 k( 168) = ( 0.1690141 0.0975803 0.2759988), wk = 0.0022676 k( 169) = ( 0.1637324 0.0945309 0.2673739), wk = 0.0022676 k( 170) = ( 0.1584507 0.0914816 0.2587489), wk = 0.0022676 k( 171) = ( 0.1531690 0.0884322 0.2501240), wk = 0.0022676 k( 172) = ( 0.1478873 0.0853828 0.2414990), wk = 0.0022676 k( 173) = ( 0.1426056 0.0823334 0.2328740), wk = 0.0022676 k( 174) = ( 0.1373239 0.0792840 0.2242491), wk = 0.0022676 k( 175) = ( 0.1320422 0.0762346 0.2156241), wk = 0.0022676 k( 176) = ( 0.1267606 0.0731852 0.2069991), wk = 0.0022676 k( 177) = ( 0.1214789 0.0701359 0.1983742), wk = 0.0022676 k( 178) = ( 0.1161972 0.0670865 0.1897492), wk = 0.0022676 k( 179) = ( 0.1109155 0.0640371 0.1811242), wk = 0.0022676 k( 180) = ( 0.1056338 0.0609877 0.1724993), wk = 0.0022676 k( 181) = ( 0.1003521 0.0579383 0.1638743), wk = 0.0022676 k( 182) = ( 0.0950704 0.0548889 0.1552494), wk = 0.0022676 k( 183) = ( 0.0897887 0.0518395 0.1466244), wk = 0.0022676 k( 184) = ( 0.0845070 0.0487902 0.1379994), wk = 0.0022676 k( 185) = ( 0.0792253 0.0457408 0.1293745), wk = 0.0022676 k( 186) = ( 0.0739437 0.0426914 0.1207495), wk = 0.0022676 k( 187) = ( 0.0686620 0.0396420 0.1121245), wk = 0.0022676 k( 188) = ( 0.0633803 0.0365926 0.1034996), wk = 0.0022676 k( 189) = ( 0.0580986 0.0335432 0.0948746), wk = 0.0022676 k( 190) = ( 0.0528169 0.0304939 0.0862496), wk = 0.0022676 k( 191) = ( 0.0475352 0.0274445 0.0776247), wk = 0.0022676 k( 192) = ( 0.0422535 0.0243951 0.0689997), wk = 0.0022676 k( 193) = ( 0.0369718 0.0213457 0.0603747), wk = 0.0022676 k( 194) = ( 0.0316901 0.0182963 0.0517498), wk = 0.0022676 k( 195) = ( 0.0264084 0.0152469 0.0431248), wk = 0.0022676 k( 196) = ( 0.0211268 0.0121975 0.0344999), wk = 0.0022676 k( 197) = ( 0.0158451 0.0091482 0.0258749), wk = 0.0022676 k( 198) = ( 0.0105634 0.0060988 0.0172499), wk = 0.0022676 k( 199) = ( 0.0052817 0.0030494 0.0086250), wk = 0.0022676 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 202) = ( 0.0086207 0.0049772 0.0035194), wk = 0.0022676 k( 203) = ( 0.0172414 0.0099543 0.0070388), wk = 0.0022676 k( 204) = ( 0.0258621 0.0149315 0.0105581), wk = 0.0022676 k( 205) = ( 0.0344828 0.0199086 0.0140775), wk = 0.0022676 k( 206) = ( 0.0431035 0.0248858 0.0175969), wk = 0.0022676 k( 207) = ( 0.0517241 0.0298629 0.0211163), wk = 0.0022676 k( 208) = ( 0.0603448 0.0348401 0.0246357), wk = 0.0022676 k( 209) = ( 0.0689655 0.0398173 0.0281551), wk = 0.0022676 k( 210) = ( 0.0775862 0.0447944 0.0316744), wk = 0.0022676 k( 211) = ( 0.0862069 0.0497716 0.0351938), wk = 0.0022676 k( 212) = ( 0.0948276 0.0547487 0.0387132), wk = 0.0022676 k( 213) = ( 0.1034483 0.0597259 0.0422326), wk = 0.0022676 k( 214) = ( 0.1120690 0.0647030 0.0457520), wk = 0.0022676 k( 215) = ( 0.1206897 0.0696802 0.0492713), wk = 0.0022676 k( 216) = ( 0.1293103 0.0746574 0.0527907), wk = 0.0022676 k( 217) = ( 0.1379310 0.0796345 0.0563101), wk = 0.0022676 k( 218) = ( 0.1465517 0.0846117 0.0598295), wk = 0.0022676 k( 219) = ( 0.1551724 0.0895888 0.0633489), wk = 0.0022676 k( 220) = ( 0.1637931 0.0945660 0.0668683), wk = 0.0022676 k( 221) = ( 0.1724138 0.0995431 0.0703876), wk = 0.0022676 k( 222) = ( 0.1810345 0.1045203 0.0739070), wk = 0.0022676 k( 223) = ( 0.1896552 0.1094975 0.0774264), wk = 0.0022676 k( 224) = ( 0.1982759 0.1144746 0.0809458), wk = 0.0022676 k( 225) = ( 0.2068966 0.1194518 0.0844652), wk = 0.0022676 k( 226) = ( 0.2155172 0.1244289 0.0879845), wk = 0.0022676 k( 227) = ( 0.2241379 0.1294061 0.0915039), wk = 0.0022676 k( 228) = ( 0.2327586 0.1343833 0.0950233), wk = 0.0022676 k( 229) = ( 0.2413793 0.1393604 0.0985427), wk = 0.0022676 k( 230) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0022676 k( 231) = ( 0.2586207 0.1493147 0.1055815), wk = 0.0022676 k( 232) = ( 0.2672414 0.1542919 0.1091008), wk = 0.0022676 k( 233) = ( 0.2758621 0.1592690 0.1126202), wk = 0.0022676 k( 234) = ( 0.2844828 0.1642462 0.1161396), wk = 0.0022676 k( 235) = ( 0.2931034 0.1692234 0.1196590), wk = 0.0022676 k( 236) = ( 0.3017241 0.1742005 0.1231784), wk = 0.0022676 k( 237) = ( 0.3103448 0.1791777 0.1266977), wk = 0.0022676 k( 238) = ( 0.3189655 0.1841548 0.1302171), wk = 0.0022676 k( 239) = ( 0.3275862 0.1891320 0.1337365), wk = 0.0022676 k( 240) = ( 0.3362069 0.1941091 0.1372559), wk = 0.0022676 k( 241) = ( 0.3448276 0.1990863 0.1407753), wk = 0.0022676 k( 242) = ( 0.3534483 0.2040635 0.1442947), wk = 0.0022676 k( 243) = ( 0.3620690 0.2090406 0.1478140), wk = 0.0022676 k( 244) = ( 0.3706897 0.2140178 0.1513334), wk = 0.0022676 k( 245) = ( 0.3793103 0.2189949 0.1548528), wk = 0.0022676 k( 246) = ( 0.3879310 0.2239721 0.1583722), wk = 0.0022676 k( 247) = ( 0.3965517 0.2289492 0.1618916), wk = 0.0022676 k( 248) = ( 0.4051724 0.2339264 0.1654109), wk = 0.0022676 k( 249) = ( 0.4137931 0.2389036 0.1689303), wk = 0.0022676 k( 250) = ( 0.4224138 0.2438807 0.1724497), wk = 0.0022676 k( 251) = ( 0.4310345 0.2488579 0.1759691), wk = 0.0022676 k( 252) = ( 0.4396552 0.2538350 0.1794885), wk = 0.0022676 k( 253) = ( 0.4482759 0.2588122 0.1830079), wk = 0.0022676 k( 254) = ( 0.4568966 0.2637893 0.1865272), wk = 0.0022676 k( 255) = ( 0.4655172 0.2687665 0.1900466), wk = 0.0022676 k( 256) = ( 0.4741379 0.2737437 0.1935660), wk = 0.0022676 k( 257) = ( 0.4827586 0.2787208 0.1970854), wk = 0.0022676 k( 258) = ( 0.4913793 0.2836980 0.2006048), wk = 0.0022676 k( 259) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022676 k( 260) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022676 k( 261) = ( 0.5030488 0.2798741 0.2091028), wk = 0.0022676 k( 262) = ( 0.5060976 0.2710730 0.2140814), wk = 0.0022676 k( 263) = ( 0.5091463 0.2622719 0.2190601), wk = 0.0022676 k( 264) = ( 0.5121951 0.2534709 0.2240387), wk = 0.0022676 k( 265) = ( 0.5152439 0.2446698 0.2290173), wk = 0.0022676 k( 266) = ( 0.5182927 0.2358687 0.2339960), wk = 0.0022676 k( 267) = ( 0.5213415 0.2270676 0.2389746), wk = 0.0022676 k( 268) = ( 0.5243902 0.2182666 0.2439532), wk = 0.0022676 k( 269) = ( 0.5274390 0.2094655 0.2489319), wk = 0.0022676 k( 270) = ( 0.5304878 0.2006644 0.2539105), wk = 0.0022676 k( 271) = ( 0.5335366 0.1918633 0.2588892), wk = 0.0022676 k( 272) = ( 0.5365854 0.1830623 0.2638678), wk = 0.0022676 k( 273) = ( 0.5396342 0.1742612 0.2688464), wk = 0.0022676 k( 274) = ( 0.5426829 0.1654601 0.2738251), wk = 0.0022676 k( 275) = ( 0.5457317 0.1566591 0.2788037), wk = 0.0022676 k( 276) = ( 0.5487805 0.1478580 0.2837824), wk = 0.0022676 k( 277) = ( 0.5518293 0.1390569 0.2887610), wk = 0.0022676 k( 278) = ( 0.5548781 0.1302558 0.2937396), wk = 0.0022676 k( 279) = ( 0.5579268 0.1214548 0.2987183), wk = 0.0022676 k( 280) = ( 0.5609756 0.1126537 0.3036969), wk = 0.0022676 k( 281) = ( 0.5640244 0.1038526 0.3086755), wk = 0.0022676 k( 282) = ( 0.5670732 0.0950516 0.3136542), wk = 0.0022676 k( 283) = ( 0.5701219 0.0862505 0.3186328), wk = 0.0022676 k( 284) = ( 0.5731707 0.0774494 0.3236114), wk = 0.0022676 k( 285) = ( 0.5762195 0.0686484 0.3285901), wk = 0.0022676 k( 286) = ( 0.5792683 0.0598473 0.3335687), wk = 0.0022676 k( 287) = ( 0.5823171 0.0510462 0.3385474), wk = 0.0022676 k( 288) = ( 0.5853658 0.0422451 0.3435260), wk = 0.0022676 k( 289) = ( 0.5884146 0.0334441 0.3485046), wk = 0.0022676 k( 290) = ( 0.5914634 0.0246430 0.3534833), wk = 0.0022676 k( 291) = ( 0.5945122 0.0158419 0.3584619), wk = 0.0022676 k( 292) = ( 0.5975610 0.0070409 0.3634406), wk = 0.0022676 k( 293) = ( 0.6006098 -0.0017602 0.3684192), wk = 0.0022676 k( 294) = ( 0.6036585 -0.0105613 0.3733978), wk = 0.0022676 k( 295) = ( 0.6067073 -0.0193624 0.3783765), wk = 0.0022676 k( 296) = ( 0.6097561 -0.0281634 0.3833551), wk = 0.0022676 k( 297) = ( 0.6128049 -0.0369645 0.3883337), wk = 0.0022676 k( 298) = ( 0.6158537 -0.0457656 0.3933124), wk = 0.0022676 k( 299) = ( 0.6189024 -0.0545666 0.3982910), wk = 0.0022676 k( 300) = ( 0.6219512 -0.0633677 0.4032697), wk = 0.0022676 k( 301) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0022676 k( 302) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0022676 k( 303) = ( 0.6197917 -0.0691618 0.4167535), wk = 0.0022676 k( 304) = ( 0.6145833 -0.0661547 0.4252586), wk = 0.0022676 k( 305) = ( 0.6093750 -0.0631477 0.4337638), wk = 0.0022676 k( 306) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0022676 k( 307) = ( 0.5989583 -0.0571336 0.4507742), wk = 0.0022676 k( 308) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0022676 k( 309) = ( 0.5885417 -0.0511196 0.4677845), wk = 0.0022676 k( 310) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0022676 k( 311) = ( 0.5781250 -0.0451055 0.4847948), wk = 0.0022676 k( 312) = ( 0.5729167 -0.0420985 0.4933000), wk = 0.0022676 k( 313) = ( 0.5677083 -0.0390914 0.5018052), wk = 0.0022676 k( 314) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0022676 k( 315) = ( 0.5572917 -0.0330774 0.5188155), wk = 0.0022676 k( 316) = ( 0.5520833 -0.0300703 0.5273207), wk = 0.0022676 k( 317) = ( 0.5468750 -0.0270633 0.5358259), wk = 0.0022676 k( 318) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0022676 k( 319) = ( 0.5364583 -0.0210492 0.5528362), wk = 0.0022676 k( 320) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0022676 k( 321) = ( 0.5260417 -0.0150352 0.5698466), wk = 0.0022676 k( 322) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0022676 k( 323) = ( 0.5156250 -0.0090211 0.5868569), wk = 0.0022676 k( 324) = ( 0.5104167 -0.0060141 0.5953621), wk = 0.0022676 k( 325) = ( 0.5052083 -0.0030070 0.6038673), wk = 0.0022676 k( 326) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0022676 k( 327) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0022676 k( 328) = ( 0.5000000 0.0061420 0.6036863), wk = 0.0022676 k( 329) = ( 0.5000000 0.0122841 0.5950002), wk = 0.0022676 k( 330) = ( 0.5000000 0.0184261 0.5863140), wk = 0.0022676 k( 331) = ( 0.5000000 0.0245681 0.5776279), wk = 0.0022676 k( 332) = ( 0.5000000 0.0307101 0.5689418), wk = 0.0022676 k( 333) = ( 0.5000000 0.0368521 0.5602556), wk = 0.0022676 k( 334) = ( 0.5000000 0.0429942 0.5515695), wk = 0.0022676 k( 335) = ( 0.5000000 0.0491362 0.5428834), wk = 0.0022676 k( 336) = ( 0.5000000 0.0552782 0.5341972), wk = 0.0022676 k( 337) = ( 0.5000000 0.0614202 0.5255111), wk = 0.0022676 k( 338) = ( 0.5000000 0.0675623 0.5168250), wk = 0.0022676 k( 339) = ( 0.5000000 0.0737043 0.5081388), wk = 0.0022676 k( 340) = ( 0.5000000 0.0798463 0.4994527), wk = 0.0022676 k( 341) = ( 0.5000000 0.0859883 0.4907666), wk = 0.0022676 k( 342) = ( 0.5000000 0.0921304 0.4820804), wk = 0.0022676 k( 343) = ( 0.5000000 0.0982724 0.4733943), wk = 0.0022676 k( 344) = ( 0.5000000 0.1044144 0.4647082), wk = 0.0022676 k( 345) = ( 0.5000000 0.1105564 0.4560220), wk = 0.0022676 k( 346) = ( 0.5000000 0.1166985 0.4473359), wk = 0.0022676 k( 347) = ( 0.5000000 0.1228405 0.4386498), wk = 0.0022676 k( 348) = ( 0.5000000 0.1289825 0.4299636), wk = 0.0022676 k( 349) = ( 0.5000000 0.1351245 0.4212775), wk = 0.0022676 k( 350) = ( 0.5000000 0.1412666 0.4125914), wk = 0.0022676 k( 351) = ( 0.5000000 0.1474086 0.4039052), wk = 0.0022676 k( 352) = ( 0.5000000 0.1535506 0.3952191), wk = 0.0022676 k( 353) = ( 0.5000000 0.1596926 0.3865330), wk = 0.0022676 k( 354) = ( 0.5000000 0.1658347 0.3778468), wk = 0.0022676 k( 355) = ( 0.5000000 0.1719767 0.3691607), wk = 0.0022676 k( 356) = ( 0.5000000 0.1781187 0.3604746), wk = 0.0022676 k( 357) = ( 0.5000000 0.1842607 0.3517884), wk = 0.0022676 k( 358) = ( 0.5000000 0.1904028 0.3431023), wk = 0.0022676 k( 359) = ( 0.5000000 0.1965448 0.3344161), wk = 0.0022676 k( 360) = ( 0.5000000 0.2026868 0.3257300), wk = 0.0022676 k( 361) = ( 0.5000000 0.2088288 0.3170439), wk = 0.0022676 k( 362) = ( 0.5000000 0.2149708 0.3083578), wk = 0.0022676 k( 363) = ( 0.5000000 0.2211129 0.2996716), wk = 0.0022676 k( 364) = ( 0.5000000 0.2272549 0.2909855), wk = 0.0022676 k( 365) = ( 0.5000000 0.2333969 0.2822993), wk = 0.0022676 k( 366) = ( 0.5000000 0.2395389 0.2736132), wk = 0.0022676 k( 367) = ( 0.5000000 0.2456810 0.2649271), wk = 0.0022676 k( 368) = ( 0.5000000 0.2518230 0.2562409), wk = 0.0022676 k( 369) = ( 0.5000000 0.2579650 0.2475548), wk = 0.0022676 k( 370) = ( 0.5000000 0.2641070 0.2388687), wk = 0.0022676 k( 371) = ( 0.5000000 0.2702491 0.2301826), wk = 0.0022676 k( 372) = ( 0.5000000 0.2763911 0.2214964), wk = 0.0022676 k( 373) = ( 0.5000000 0.2825331 0.2128103), wk = 0.0022676 k( 374) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022676 k( 375) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022676 k( 376) = ( 0.4969512 0.2869149 0.2140814), wk = 0.0022676 k( 377) = ( 0.4939024 0.2851547 0.2240387), wk = 0.0022676 k( 378) = ( 0.4908537 0.2833945 0.2339960), wk = 0.0022676 k( 379) = ( 0.4878049 0.2816343 0.2439532), wk = 0.0022676 k( 380) = ( 0.4847561 0.2798741 0.2539105), wk = 0.0022676 k( 381) = ( 0.4817073 0.2781139 0.2638678), wk = 0.0022676 k( 382) = ( 0.4786585 0.2763536 0.2738251), wk = 0.0022676 k( 383) = ( 0.4756098 0.2745934 0.2837823), wk = 0.0022676 k( 384) = ( 0.4725610 0.2728332 0.2937396), wk = 0.0022676 k( 385) = ( 0.4695122 0.2710730 0.3036969), wk = 0.0022676 k( 386) = ( 0.4664634 0.2693128 0.3136542), wk = 0.0022676 k( 387) = ( 0.4634146 0.2675526 0.3236115), wk = 0.0022676 k( 388) = ( 0.4603659 0.2657923 0.3335687), wk = 0.0022676 k( 389) = ( 0.4573171 0.2640321 0.3435260), wk = 0.0022676 k( 390) = ( 0.4542683 0.2622719 0.3534833), wk = 0.0022676 k( 391) = ( 0.4512195 0.2605117 0.3634406), wk = 0.0022676 k( 392) = ( 0.4481707 0.2587515 0.3733978), wk = 0.0022676 k( 393) = ( 0.4451219 0.2569913 0.3833551), wk = 0.0022676 k( 394) = ( 0.4420732 0.2552311 0.3933124), wk = 0.0022676 k( 395) = ( 0.4390244 0.2534708 0.4032697), wk = 0.0022676 k( 396) = ( 0.4359756 0.2517106 0.4132269), wk = 0.0022676 k( 397) = ( 0.4329268 0.2499504 0.4231842), wk = 0.0022676 k( 398) = ( 0.4298781 0.2481902 0.4331415), wk = 0.0022676 k( 399) = ( 0.4268293 0.2464300 0.4430987), wk = 0.0022676 k( 400) = ( 0.4237805 0.2446698 0.4530560), wk = 0.0022676 k( 401) = ( 0.4207317 0.2429096 0.4630133), wk = 0.0022676 k( 402) = ( 0.4176829 0.2411494 0.4729706), wk = 0.0022676 k( 403) = ( 0.4146341 0.2393891 0.4829279), wk = 0.0022676 k( 404) = ( 0.4115854 0.2376289 0.4928851), wk = 0.0022676 k( 405) = ( 0.4085366 0.2358687 0.5028424), wk = 0.0022676 k( 406) = ( 0.4054878 0.2341085 0.5127997), wk = 0.0022676 k( 407) = ( 0.4024390 0.2323483 0.5227570), wk = 0.0022676 k( 408) = ( 0.3993902 0.2305881 0.5327142), wk = 0.0022676 k( 409) = ( 0.3963415 0.2288278 0.5426715), wk = 0.0022676 k( 410) = ( 0.3932927 0.2270676 0.5526288), wk = 0.0022676 k( 411) = ( 0.3902439 0.2253074 0.5625861), wk = 0.0022676 k( 412) = ( 0.3871951 0.2235472 0.5725433), wk = 0.0022676 k( 413) = ( 0.3841463 0.2217870 0.5825006), wk = 0.0022676 k( 414) = ( 0.3810976 0.2200268 0.5924579), wk = 0.0022676 k( 415) = ( 0.3780488 0.2182666 0.6024152), wk = 0.0022676 k( 416) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0022676 k( 417) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0022676 k( 418) = ( 0.6197917 -0.0811899 0.4082483), wk = 0.0022676 k( 419) = ( 0.6145833 -0.0902110 0.4082483), wk = 0.0022676 k( 420) = ( 0.6093750 -0.0992321 0.4082483), wk = 0.0022676 k( 421) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0022676 k( 422) = ( 0.5989583 -0.1172743 0.4082483), wk = 0.0022676 k( 423) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0022676 k( 424) = ( 0.5885417 -0.1353165 0.4082483), wk = 0.0022676 k( 425) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0022676 k( 426) = ( 0.5781250 -0.1533587 0.4082483), wk = 0.0022676 k( 427) = ( 0.5729167 -0.1623798 0.4082483), wk = 0.0022676 k( 428) = ( 0.5677083 -0.1714009 0.4082483), wk = 0.0022676 k( 429) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0022676 k( 430) = ( 0.5572917 -0.1894431 0.4082483), wk = 0.0022676 k( 431) = ( 0.5520833 -0.1984641 0.4082483), wk = 0.0022676 k( 432) = ( 0.5468750 -0.2074853 0.4082483), wk = 0.0022676 k( 433) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0022676 k( 434) = ( 0.5364583 -0.2255274 0.4082483), wk = 0.0022676 k( 435) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0022676 k( 436) = ( 0.5260417 -0.2435697 0.4082483), wk = 0.0022676 k( 437) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0022676 k( 438) = ( 0.5156250 -0.2616118 0.4082483), wk = 0.0022676 k( 439) = ( 0.5104167 -0.2706329 0.4082483), wk = 0.0022676 k( 440) = ( 0.5052083 -0.2796540 0.4082483), wk = 0.0022676 k( 441) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0022676 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 2) = ( 0.0074627 0.0000000 0.0074627), wk = 0.0022676 k( 3) = ( 0.0149254 0.0000000 0.0149254), wk = 0.0022676 k( 4) = ( 0.0223881 -0.0000000 0.0223881), wk = 0.0022676 k( 5) = ( 0.0298507 -0.0000000 0.0298508), wk = 0.0022676 k( 6) = ( 0.0373134 0.0000000 0.0373134), wk = 0.0022676 k( 7) = ( 0.0447761 -0.0000000 0.0447761), wk = 0.0022676 k( 8) = ( 0.0522388 0.0000000 0.0522388), wk = 0.0022676 k( 9) = ( 0.0597015 -0.0000000 0.0597015), wk = 0.0022676 k( 10) = ( 0.0671642 0.0000000 0.0671642), wk = 0.0022676 k( 11) = ( 0.0746269 -0.0000000 0.0746269), wk = 0.0022676 k( 12) = ( 0.0820895 -0.0000000 0.0820896), wk = 0.0022676 k( 13) = ( 0.0895522 -0.0000000 0.0895522), wk = 0.0022676 k( 14) = ( 0.0970149 0.0000000 0.0970149), wk = 0.0022676 k( 15) = ( 0.1044776 0.0000000 0.1044776), wk = 0.0022676 k( 16) = ( 0.1119403 0.0000000 0.1119403), wk = 0.0022676 k( 17) = ( 0.1194030 -0.0000000 0.1194030), wk = 0.0022676 k( 18) = ( 0.1268657 0.0000000 0.1268657), wk = 0.0022676 k( 19) = ( 0.1343284 0.0000000 0.1343284), wk = 0.0022676 k( 20) = ( 0.1417910 -0.0000000 0.1417910), wk = 0.0022676 k( 21) = ( 0.1492537 0.0000000 0.1492537), wk = 0.0022676 k( 22) = ( 0.1567164 0.0000000 0.1567164), wk = 0.0022676 k( 23) = ( 0.1641791 -0.0000000 0.1641791), wk = 0.0022676 k( 24) = ( 0.1716418 0.0000000 0.1716418), wk = 0.0022676 k( 25) = ( 0.1791045 -0.0000000 0.1791045), wk = 0.0022676 k( 26) = ( 0.1865672 -0.0000000 0.1865672), wk = 0.0022676 k( 27) = ( 0.1940299 0.0000000 0.1940298), wk = 0.0022676 k( 28) = ( 0.2014925 0.0000000 0.2014925), wk = 0.0022676 k( 29) = ( 0.2089552 0.0000000 0.2089552), wk = 0.0022676 k( 30) = ( 0.2164179 0.0000000 0.2164179), wk = 0.0022676 k( 31) = ( 0.2238806 0.0000000 0.2238806), wk = 0.0022676 k( 32) = ( 0.2313433 0.0000000 0.2313433), wk = 0.0022676 k( 33) = ( 0.2388060 0.0000000 0.2388060), wk = 0.0022676 k( 34) = ( 0.2462687 -0.0000000 0.2462687), wk = 0.0022676 k( 35) = ( 0.2537313 0.0000000 0.2537313), wk = 0.0022676 k( 36) = ( 0.2611940 0.0000000 0.2611940), wk = 0.0022676 k( 37) = ( 0.2686567 0.0000000 0.2686567), wk = 0.0022676 k( 38) = ( 0.2761194 0.0000000 0.2761194), wk = 0.0022676 k( 39) = ( 0.2835821 0.0000000 0.2835821), wk = 0.0022676 k( 40) = ( 0.2910448 -0.0000000 0.2910448), wk = 0.0022676 k( 41) = ( 0.2985075 0.0000000 0.2985075), wk = 0.0022676 k( 42) = ( 0.3059701 -0.0000000 0.3059701), wk = 0.0022676 k( 43) = ( 0.3134328 0.0000000 0.3134328), wk = 0.0022676 k( 44) = ( 0.3208955 -0.0000000 0.3208955), wk = 0.0022676 k( 45) = ( 0.3283582 0.0000000 0.3283582), wk = 0.0022676 k( 46) = ( 0.3358209 -0.0000000 0.3358209), wk = 0.0022676 k( 47) = ( 0.3432836 0.0000000 0.3432836), wk = 0.0022676 k( 48) = ( 0.3507463 -0.0000000 0.3507463), wk = 0.0022676 k( 49) = ( 0.3582090 -0.0000000 0.3582090), wk = 0.0022676 k( 50) = ( 0.3656716 -0.0000000 0.3656716), wk = 0.0022676 k( 51) = ( 0.3731343 -0.0000000 0.3731343), wk = 0.0022676 k( 52) = ( 0.3805970 0.0000000 0.3805970), wk = 0.0022676 k( 53) = ( 0.3880597 0.0000000 0.3880597), wk = 0.0022676 k( 54) = ( 0.3955224 0.0000000 0.3955224), wk = 0.0022676 k( 55) = ( 0.4029851 0.0000000 0.4029851), wk = 0.0022676 k( 56) = ( 0.4104478 0.0000000 0.4104478), wk = 0.0022676 k( 57) = ( 0.4179104 0.0000000 0.4179104), wk = 0.0022676 k( 58) = ( 0.4253731 0.0000000 0.4253731), wk = 0.0022676 k( 59) = ( 0.4328358 0.0000000 0.4328358), wk = 0.0022676 k( 60) = ( 0.4402985 0.0000000 0.4402985), wk = 0.0022676 k( 61) = ( 0.4477612 0.0000000 0.4477612), wk = 0.0022676 k( 62) = ( 0.4552239 0.0000000 0.4552239), wk = 0.0022676 k( 63) = ( 0.4626866 -0.0000000 0.4626866), wk = 0.0022676 k( 64) = ( 0.4701493 -0.0000000 0.4701493), wk = 0.0022676 k( 65) = ( 0.4776119 0.0000000 0.4776119), wk = 0.0022676 k( 66) = ( 0.4850746 -0.0000000 0.4850746), wk = 0.0022676 k( 67) = ( 0.4925373 -0.0000000 0.4925373), wk = 0.0022676 k( 68) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022676 k( 69) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022676 k( 70) = ( 0.5000000 0.0073529 0.5073529), wk = 0.0022676 k( 71) = ( 0.5000000 0.0147059 0.5147059), wk = 0.0022676 k( 72) = ( 0.5000000 0.0220588 0.5220588), wk = 0.0022676 k( 73) = ( 0.5000000 0.0294118 0.5294118), wk = 0.0022676 k( 74) = ( 0.5000000 0.0367647 0.5367647), wk = 0.0022676 k( 75) = ( 0.5000000 0.0441176 0.5441177), wk = 0.0022676 k( 76) = ( 0.5000000 0.0514706 0.5514706), wk = 0.0022676 k( 77) = ( 0.5000000 0.0588235 0.5588235), wk = 0.0022676 k( 78) = ( 0.5000000 0.0661765 0.5661765), wk = 0.0022676 k( 79) = ( 0.5000000 0.0735294 0.5735294), wk = 0.0022676 k( 80) = ( 0.5000000 0.0808823 0.5808823), wk = 0.0022676 k( 81) = ( 0.5000000 0.0882353 0.5882353), wk = 0.0022676 k( 82) = ( 0.5000000 0.0955882 0.5955882), wk = 0.0022676 k( 83) = ( 0.5000000 0.1029412 0.6029412), wk = 0.0022676 k( 84) = ( 0.5000000 0.1102941 0.6102941), wk = 0.0022676 k( 85) = ( 0.5000000 0.1176471 0.6176471), wk = 0.0022676 k( 86) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0022676 k( 87) = ( 0.5000000 0.1323529 0.6323529), wk = 0.0022676 k( 88) = ( 0.5000000 0.1397059 0.6397059), wk = 0.0022676 k( 89) = ( 0.5000000 0.1470588 0.6470588), wk = 0.0022676 k( 90) = ( 0.5000000 0.1544118 0.6544118), wk = 0.0022676 k( 91) = ( 0.5000000 0.1617647 0.6617647), wk = 0.0022676 k( 92) = ( 0.5000000 0.1691177 0.6691177), wk = 0.0022676 k( 93) = ( 0.5000000 0.1764706 0.6764706), wk = 0.0022676 k( 94) = ( 0.5000000 0.1838235 0.6838235), wk = 0.0022676 k( 95) = ( 0.5000000 0.1911765 0.6911765), wk = 0.0022676 k( 96) = ( 0.5000000 0.1985294 0.6985294), wk = 0.0022676 k( 97) = ( 0.5000000 0.2058823 0.7058823), wk = 0.0022676 k( 98) = ( 0.5000000 0.2132353 0.7132353), wk = 0.0022676 k( 99) = ( 0.5000000 0.2205882 0.7205882), wk = 0.0022676 k( 100) = ( 0.5000000 0.2279412 0.7279412), wk = 0.0022676 k( 101) = ( 0.5000000 0.2352941 0.7352941), wk = 0.0022676 k( 102) = ( 0.5000000 0.2426471 0.7426471), wk = 0.0022676 k( 103) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022676 k( 104) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022676 k( 105) = ( 0.4947917 0.2552083 0.7500000), wk = 0.0022676 k( 106) = ( 0.4895833 0.2604167 0.7500000), wk = 0.0022676 k( 107) = ( 0.4843750 0.2656250 0.7500000), wk = 0.0022676 k( 108) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0022676 k( 109) = ( 0.4739583 0.2760417 0.7500000), wk = 0.0022676 k( 110) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0022676 k( 111) = ( 0.4635417 0.2864583 0.7500000), wk = 0.0022676 k( 112) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0022676 k( 113) = ( 0.4531250 0.2968750 0.7500000), wk = 0.0022676 k( 114) = ( 0.4479167 0.3020833 0.7500000), wk = 0.0022676 k( 115) = ( 0.4427083 0.3072917 0.7500000), wk = 0.0022676 k( 116) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0022676 k( 117) = ( 0.4322917 0.3177083 0.7500000), wk = 0.0022676 k( 118) = ( 0.4270833 0.3229167 0.7500000), wk = 0.0022676 k( 119) = ( 0.4218750 0.3281250 0.7500000), wk = 0.0022676 k( 120) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0022676 k( 121) = ( 0.4114583 0.3385417 0.7500000), wk = 0.0022676 k( 122) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0022676 k( 123) = ( 0.4010417 0.3489583 0.7500000), wk = 0.0022676 k( 124) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0022676 k( 125) = ( 0.3906250 0.3593750 0.7500000), wk = 0.0022676 k( 126) = ( 0.3854167 0.3645833 0.7500000), wk = 0.0022676 k( 127) = ( 0.3802083 0.3697917 0.7500000), wk = 0.0022676 k( 128) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022676 k( 129) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022676 k( 130) = ( 0.3697183 0.3697183 0.7394366), wk = 0.0022676 k( 131) = ( 0.3644366 0.3644366 0.7288732), wk = 0.0022676 k( 132) = ( 0.3591549 0.3591549 0.7183099), wk = 0.0022676 k( 133) = ( 0.3538732 0.3538732 0.7077465), wk = 0.0022676 k( 134) = ( 0.3485915 0.3485915 0.6971831), wk = 0.0022676 k( 135) = ( 0.3433099 0.3433099 0.6866197), wk = 0.0022676 k( 136) = ( 0.3380282 0.3380282 0.6760563), wk = 0.0022676 k( 137) = ( 0.3327465 0.3327465 0.6654930), wk = 0.0022676 k( 138) = ( 0.3274648 0.3274648 0.6549296), wk = 0.0022676 k( 139) = ( 0.3221831 0.3221831 0.6443662), wk = 0.0022676 k( 140) = ( 0.3169014 0.3169014 0.6338028), wk = 0.0022676 k( 141) = ( 0.3116197 0.3116197 0.6232394), wk = 0.0022676 k( 142) = ( 0.3063380 0.3063380 0.6126761), wk = 0.0022676 k( 143) = ( 0.3010563 0.3010563 0.6021127), wk = 0.0022676 k( 144) = ( 0.2957746 0.2957747 0.5915493), wk = 0.0022676 k( 145) = ( 0.2904930 0.2904930 0.5809859), wk = 0.0022676 k( 146) = ( 0.2852113 0.2852113 0.5704225), wk = 0.0022676 k( 147) = ( 0.2799296 0.2799296 0.5598591), wk = 0.0022676 k( 148) = ( 0.2746479 0.2746479 0.5492958), wk = 0.0022676 k( 149) = ( 0.2693662 0.2693662 0.5387324), wk = 0.0022676 k( 150) = ( 0.2640845 0.2640845 0.5281690), wk = 0.0022676 k( 151) = ( 0.2588028 0.2588028 0.5176056), wk = 0.0022676 k( 152) = ( 0.2535211 0.2535211 0.5070423), wk = 0.0022676 k( 153) = ( 0.2482394 0.2482394 0.4964789), wk = 0.0022676 k( 154) = ( 0.2429578 0.2429578 0.4859155), wk = 0.0022676 k( 155) = ( 0.2376761 0.2376761 0.4753521), wk = 0.0022676 k( 156) = ( 0.2323944 0.2323944 0.4647887), wk = 0.0022676 k( 157) = ( 0.2271127 0.2271127 0.4542254), wk = 0.0022676 k( 158) = ( 0.2218310 0.2218310 0.4436620), wk = 0.0022676 k( 159) = ( 0.2165493 0.2165493 0.4330986), wk = 0.0022676 k( 160) = ( 0.2112676 0.2112676 0.4225352), wk = 0.0022676 k( 161) = ( 0.2059859 0.2059859 0.4119718), wk = 0.0022676 k( 162) = ( 0.2007042 0.2007042 0.4014085), wk = 0.0022676 k( 163) = ( 0.1954225 0.1954225 0.3908451), wk = 0.0022676 k( 164) = ( 0.1901409 0.1901409 0.3802817), wk = 0.0022676 k( 165) = ( 0.1848591 0.1848592 0.3697183), wk = 0.0022676 k( 166) = ( 0.1795775 0.1795775 0.3591549), wk = 0.0022676 k( 167) = ( 0.1742958 0.1742958 0.3485915), wk = 0.0022676 k( 168) = ( 0.1690141 0.1690141 0.3380282), wk = 0.0022676 k( 169) = ( 0.1637324 0.1637324 0.3274648), wk = 0.0022676 k( 170) = ( 0.1584507 0.1584507 0.3169014), wk = 0.0022676 k( 171) = ( 0.1531690 0.1531690 0.3063380), wk = 0.0022676 k( 172) = ( 0.1478873 0.1478873 0.2957746), wk = 0.0022676 k( 173) = ( 0.1426056 0.1426056 0.2852113), wk = 0.0022676 k( 174) = ( 0.1373239 0.1373239 0.2746479), wk = 0.0022676 k( 175) = ( 0.1320422 0.1320422 0.2640845), wk = 0.0022676 k( 176) = ( 0.1267606 0.1267606 0.2535211), wk = 0.0022676 k( 177) = ( 0.1214789 0.1214789 0.2429578), wk = 0.0022676 k( 178) = ( 0.1161972 0.1161972 0.2323944), wk = 0.0022676 k( 179) = ( 0.1109155 0.1109155 0.2218310), wk = 0.0022676 k( 180) = ( 0.1056338 0.1056338 0.2112676), wk = 0.0022676 k( 181) = ( 0.1003521 0.1003521 0.2007042), wk = 0.0022676 k( 182) = ( 0.0950704 0.0950704 0.1901409), wk = 0.0022676 k( 183) = ( 0.0897887 0.0897887 0.1795775), wk = 0.0022676 k( 184) = ( 0.0845070 0.0845070 0.1690141), wk = 0.0022676 k( 185) = ( 0.0792253 0.0792253 0.1584507), wk = 0.0022676 k( 186) = ( 0.0739437 0.0739437 0.1478873), wk = 0.0022676 k( 187) = ( 0.0686620 0.0686620 0.1373239), wk = 0.0022676 k( 188) = ( 0.0633803 0.0633803 0.1267606), wk = 0.0022676 k( 189) = ( 0.0580986 0.0580986 0.1161972), wk = 0.0022676 k( 190) = ( 0.0528169 0.0528169 0.1056338), wk = 0.0022676 k( 191) = ( 0.0475352 0.0475352 0.0950704), wk = 0.0022676 k( 192) = ( 0.0422535 0.0422535 0.0845070), wk = 0.0022676 k( 193) = ( 0.0369718 0.0369718 0.0739437), wk = 0.0022676 k( 194) = ( 0.0316901 0.0316901 0.0633803), wk = 0.0022676 k( 195) = ( 0.0264084 0.0264084 0.0528169), wk = 0.0022676 k( 196) = ( 0.0211268 0.0211268 0.0422535), wk = 0.0022676 k( 197) = ( 0.0158451 0.0158451 0.0316901), wk = 0.0022676 k( 198) = ( 0.0105634 0.0105634 0.0211268), wk = 0.0022676 k( 199) = ( 0.0052817 0.0052817 0.0105634), wk = 0.0022676 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022676 k( 202) = ( 0.0086207 0.0086207 0.0086207), wk = 0.0022676 k( 203) = ( 0.0172414 0.0172414 0.0172414), wk = 0.0022676 k( 204) = ( 0.0258621 0.0258621 0.0258621), wk = 0.0022676 k( 205) = ( 0.0344828 0.0344828 0.0344828), wk = 0.0022676 k( 206) = ( 0.0431035 0.0431035 0.0431035), wk = 0.0022676 k( 207) = ( 0.0517241 0.0517241 0.0517241), wk = 0.0022676 k( 208) = ( 0.0603448 0.0603448 0.0603448), wk = 0.0022676 k( 209) = ( 0.0689655 0.0689655 0.0689655), wk = 0.0022676 k( 210) = ( 0.0775862 0.0775862 0.0775862), wk = 0.0022676 k( 211) = ( 0.0862069 0.0862069 0.0862069), wk = 0.0022676 k( 212) = ( 0.0948276 0.0948276 0.0948276), wk = 0.0022676 k( 213) = ( 0.1034483 0.1034483 0.1034483), wk = 0.0022676 k( 214) = ( 0.1120690 0.1120690 0.1120690), wk = 0.0022676 k( 215) = ( 0.1206897 0.1206897 0.1206897), wk = 0.0022676 k( 216) = ( 0.1293103 0.1293103 0.1293103), wk = 0.0022676 k( 217) = ( 0.1379310 0.1379310 0.1379310), wk = 0.0022676 k( 218) = ( 0.1465517 0.1465517 0.1465517), wk = 0.0022676 k( 219) = ( 0.1551724 0.1551724 0.1551724), wk = 0.0022676 k( 220) = ( 0.1637931 0.1637931 0.1637931), wk = 0.0022676 k( 221) = ( 0.1724138 0.1724138 0.1724138), wk = 0.0022676 k( 222) = ( 0.1810345 0.1810345 0.1810345), wk = 0.0022676 k( 223) = ( 0.1896552 0.1896552 0.1896552), wk = 0.0022676 k( 224) = ( 0.1982759 0.1982759 0.1982759), wk = 0.0022676 k( 225) = ( 0.2068966 0.2068966 0.2068966), wk = 0.0022676 k( 226) = ( 0.2155172 0.2155172 0.2155172), wk = 0.0022676 k( 227) = ( 0.2241379 0.2241379 0.2241379), wk = 0.0022676 k( 228) = ( 0.2327586 0.2327586 0.2327586), wk = 0.0022676 k( 229) = ( 0.2413793 0.2413793 0.2413793), wk = 0.0022676 k( 230) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022676 k( 231) = ( 0.2586207 0.2586207 0.2586207), wk = 0.0022676 k( 232) = ( 0.2672414 0.2672414 0.2672414), wk = 0.0022676 k( 233) = ( 0.2758621 0.2758621 0.2758621), wk = 0.0022676 k( 234) = ( 0.2844828 0.2844828 0.2844828), wk = 0.0022676 k( 235) = ( 0.2931034 0.2931035 0.2931034), wk = 0.0022676 k( 236) = ( 0.3017241 0.3017241 0.3017241), wk = 0.0022676 k( 237) = ( 0.3103448 0.3103448 0.3103448), wk = 0.0022676 k( 238) = ( 0.3189655 0.3189655 0.3189655), wk = 0.0022676 k( 239) = ( 0.3275862 0.3275862 0.3275862), wk = 0.0022676 k( 240) = ( 0.3362069 0.3362069 0.3362069), wk = 0.0022676 k( 241) = ( 0.3448276 0.3448276 0.3448276), wk = 0.0022676 k( 242) = ( 0.3534483 0.3534483 0.3534483), wk = 0.0022676 k( 243) = ( 0.3620690 0.3620690 0.3620690), wk = 0.0022676 k( 244) = ( 0.3706897 0.3706897 0.3706897), wk = 0.0022676 k( 245) = ( 0.3793103 0.3793103 0.3793103), wk = 0.0022676 k( 246) = ( 0.3879310 0.3879310 0.3879310), wk = 0.0022676 k( 247) = ( 0.3965517 0.3965517 0.3965517), wk = 0.0022676 k( 248) = ( 0.4051724 0.4051724 0.4051724), wk = 0.0022676 k( 249) = ( 0.4137931 0.4137931 0.4137931), wk = 0.0022676 k( 250) = ( 0.4224138 0.4224138 0.4224138), wk = 0.0022676 k( 251) = ( 0.4310345 0.4310345 0.4310345), wk = 0.0022676 k( 252) = ( 0.4396552 0.4396552 0.4396552), wk = 0.0022676 k( 253) = ( 0.4482759 0.4482759 0.4482759), wk = 0.0022676 k( 254) = ( 0.4568966 0.4568966 0.4568966), wk = 0.0022676 k( 255) = ( 0.4655172 0.4655172 0.4655172), wk = 0.0022676 k( 256) = ( 0.4741379 0.4741379 0.4741379), wk = 0.0022676 k( 257) = ( 0.4827586 0.4827586 0.4827586), wk = 0.0022676 k( 258) = ( 0.4913793 0.4913793 0.4913793), wk = 0.0022676 k( 259) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022676 k( 260) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022676 k( 261) = ( 0.5030488 0.4939024 0.5030488), wk = 0.0022676 k( 262) = ( 0.5060976 0.4878049 0.5060976), wk = 0.0022676 k( 263) = ( 0.5091463 0.4817073 0.5091463), wk = 0.0022676 k( 264) = ( 0.5121951 0.4756098 0.5121951), wk = 0.0022676 k( 265) = ( 0.5152439 0.4695122 0.5152439), wk = 0.0022676 k( 266) = ( 0.5182927 0.4634146 0.5182927), wk = 0.0022676 k( 267) = ( 0.5213415 0.4573171 0.5213415), wk = 0.0022676 k( 268) = ( 0.5243902 0.4512195 0.5243902), wk = 0.0022676 k( 269) = ( 0.5274390 0.4451220 0.5274390), wk = 0.0022676 k( 270) = ( 0.5304878 0.4390244 0.5304878), wk = 0.0022676 k( 271) = ( 0.5335366 0.4329268 0.5335366), wk = 0.0022676 k( 272) = ( 0.5365854 0.4268293 0.5365854), wk = 0.0022676 k( 273) = ( 0.5396342 0.4207317 0.5396341), wk = 0.0022676 k( 274) = ( 0.5426829 0.4146341 0.5426829), wk = 0.0022676 k( 275) = ( 0.5457317 0.4085366 0.5457317), wk = 0.0022676 k( 276) = ( 0.5487805 0.4024390 0.5487805), wk = 0.0022676 k( 277) = ( 0.5518293 0.3963415 0.5518293), wk = 0.0022676 k( 278) = ( 0.5548781 0.3902439 0.5548781), wk = 0.0022676 k( 279) = ( 0.5579268 0.3841463 0.5579268), wk = 0.0022676 k( 280) = ( 0.5609756 0.3780488 0.5609756), wk = 0.0022676 k( 281) = ( 0.5640244 0.3719512 0.5640244), wk = 0.0022676 k( 282) = ( 0.5670732 0.3658537 0.5670732), wk = 0.0022676 k( 283) = ( 0.5701219 0.3597561 0.5701220), wk = 0.0022676 k( 284) = ( 0.5731707 0.3536585 0.5731707), wk = 0.0022676 k( 285) = ( 0.5762195 0.3475610 0.5762195), wk = 0.0022676 k( 286) = ( 0.5792683 0.3414634 0.5792683), wk = 0.0022676 k( 287) = ( 0.5823171 0.3353659 0.5823171), wk = 0.0022676 k( 288) = ( 0.5853658 0.3292683 0.5853659), wk = 0.0022676 k( 289) = ( 0.5884146 0.3231707 0.5884146), wk = 0.0022676 k( 290) = ( 0.5914634 0.3170732 0.5914634), wk = 0.0022676 k( 291) = ( 0.5945122 0.3109756 0.5945122), wk = 0.0022676 k( 292) = ( 0.5975610 0.3048781 0.5975610), wk = 0.0022676 k( 293) = ( 0.6006098 0.2987805 0.6006098), wk = 0.0022676 k( 294) = ( 0.6036585 0.2926829 0.6036585), wk = 0.0022676 k( 295) = ( 0.6067073 0.2865854 0.6067073), wk = 0.0022676 k( 296) = ( 0.6097561 0.2804878 0.6097561), wk = 0.0022676 k( 297) = ( 0.6128049 0.2743902 0.6128049), wk = 0.0022676 k( 298) = ( 0.6158537 0.2682927 0.6158537), wk = 0.0022676 k( 299) = ( 0.6189024 0.2621951 0.6189024), wk = 0.0022676 k( 300) = ( 0.6219512 0.2560976 0.6219512), wk = 0.0022676 k( 301) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022676 k( 302) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022676 k( 303) = ( 0.6197917 0.2500000 0.6302083), wk = 0.0022676 k( 304) = ( 0.6145833 0.2500000 0.6354167), wk = 0.0022676 k( 305) = ( 0.6093750 0.2500000 0.6406250), wk = 0.0022676 k( 306) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0022676 k( 307) = ( 0.5989583 0.2500000 0.6510417), wk = 0.0022676 k( 308) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0022676 k( 309) = ( 0.5885417 0.2500000 0.6614583), wk = 0.0022676 k( 310) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0022676 k( 311) = ( 0.5781250 0.2500000 0.6718750), wk = 0.0022676 k( 312) = ( 0.5729167 0.2500000 0.6770833), wk = 0.0022676 k( 313) = ( 0.5677083 0.2500000 0.6822917), wk = 0.0022676 k( 314) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0022676 k( 315) = ( 0.5572917 0.2500000 0.6927083), wk = 0.0022676 k( 316) = ( 0.5520833 0.2500000 0.6979167), wk = 0.0022676 k( 317) = ( 0.5468750 0.2500000 0.7031250), wk = 0.0022676 k( 318) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0022676 k( 319) = ( 0.5364583 0.2500000 0.7135417), wk = 0.0022676 k( 320) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0022676 k( 321) = ( 0.5260417 0.2500000 0.7239583), wk = 0.0022676 k( 322) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0022676 k( 323) = ( 0.5156250 0.2500000 0.7343750), wk = 0.0022676 k( 324) = ( 0.5104167 0.2500000 0.7395833), wk = 0.0022676 k( 325) = ( 0.5052083 0.2500000 0.7447917), wk = 0.0022676 k( 326) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022676 k( 327) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022676 k( 328) = ( 0.5000000 0.2553191 0.7446808), wk = 0.0022676 k( 329) = ( 0.5000000 0.2606383 0.7393617), wk = 0.0022676 k( 330) = ( 0.5000000 0.2659574 0.7340425), wk = 0.0022676 k( 331) = ( 0.5000000 0.2712766 0.7287234), wk = 0.0022676 k( 332) = ( 0.5000000 0.2765957 0.7234043), wk = 0.0022676 k( 333) = ( 0.5000000 0.2819149 0.7180851), wk = 0.0022676 k( 334) = ( 0.5000000 0.2872340 0.7127660), wk = 0.0022676 k( 335) = ( 0.5000000 0.2925532 0.7074468), wk = 0.0022676 k( 336) = ( 0.5000000 0.2978723 0.7021277), wk = 0.0022676 k( 337) = ( 0.5000000 0.3031915 0.6968085), wk = 0.0022676 k( 338) = ( 0.5000000 0.3085106 0.6914894), wk = 0.0022676 k( 339) = ( 0.5000000 0.3138298 0.6861702), wk = 0.0022676 k( 340) = ( 0.5000000 0.3191489 0.6808511), wk = 0.0022676 k( 341) = ( 0.5000000 0.3244681 0.6755319), wk = 0.0022676 k( 342) = ( 0.5000000 0.3297872 0.6702128), wk = 0.0022676 k( 343) = ( 0.5000000 0.3351064 0.6648936), wk = 0.0022676 k( 344) = ( 0.5000000 0.3404255 0.6595745), wk = 0.0022676 k( 345) = ( 0.5000000 0.3457447 0.6542553), wk = 0.0022676 k( 346) = ( 0.5000000 0.3510638 0.6489362), wk = 0.0022676 k( 347) = ( 0.5000000 0.3563830 0.6436170), wk = 0.0022676 k( 348) = ( 0.5000000 0.3617021 0.6382979), wk = 0.0022676 k( 349) = ( 0.5000000 0.3670213 0.6329787), wk = 0.0022676 k( 350) = ( 0.5000000 0.3723404 0.6276596), wk = 0.0022676 k( 351) = ( 0.5000000 0.3776596 0.6223404), wk = 0.0022676 k( 352) = ( 0.5000000 0.3829787 0.6170213), wk = 0.0022676 k( 353) = ( 0.5000000 0.3882979 0.6117021), wk = 0.0022676 k( 354) = ( 0.5000000 0.3936170 0.6063830), wk = 0.0022676 k( 355) = ( 0.5000000 0.3989362 0.6010638), wk = 0.0022676 k( 356) = ( 0.5000000 0.4042553 0.5957447), wk = 0.0022676 k( 357) = ( 0.5000000 0.4095745 0.5904255), wk = 0.0022676 k( 358) = ( 0.5000000 0.4148936 0.5851064), wk = 0.0022676 k( 359) = ( 0.5000000 0.4202128 0.5797872), wk = 0.0022676 k( 360) = ( 0.5000000 0.4255319 0.5744681), wk = 0.0022676 k( 361) = ( 0.5000000 0.4308511 0.5691489), wk = 0.0022676 k( 362) = ( 0.5000000 0.4361702 0.5638298), wk = 0.0022676 k( 363) = ( 0.5000000 0.4414894 0.5585106), wk = 0.0022676 k( 364) = ( 0.5000000 0.4468085 0.5531915), wk = 0.0022676 k( 365) = ( 0.5000000 0.4521277 0.5478723), wk = 0.0022676 k( 366) = ( 0.5000000 0.4574468 0.5425532), wk = 0.0022676 k( 367) = ( 0.5000000 0.4627660 0.5372340), wk = 0.0022676 k( 368) = ( 0.5000000 0.4680851 0.5319149), wk = 0.0022676 k( 369) = ( 0.5000000 0.4734043 0.5265957), wk = 0.0022676 k( 370) = ( 0.5000000 0.4787234 0.5212766), wk = 0.0022676 k( 371) = ( 0.5000000 0.4840426 0.5159575), wk = 0.0022676 k( 372) = ( 0.5000000 0.4893617 0.5106383), wk = 0.0022676 k( 373) = ( 0.5000000 0.4946809 0.5053192), wk = 0.0022676 k( 374) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022676 k( 375) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022676 k( 376) = ( 0.4969512 0.4969512 0.5060976), wk = 0.0022676 k( 377) = ( 0.4939024 0.4939024 0.5121951), wk = 0.0022676 k( 378) = ( 0.4908537 0.4908537 0.5182927), wk = 0.0022676 k( 379) = ( 0.4878049 0.4878049 0.5243902), wk = 0.0022676 k( 380) = ( 0.4847561 0.4847561 0.5304878), wk = 0.0022676 k( 381) = ( 0.4817073 0.4817073 0.5365854), wk = 0.0022676 k( 382) = ( 0.4786585 0.4786585 0.5426829), wk = 0.0022676 k( 383) = ( 0.4756098 0.4756098 0.5487805), wk = 0.0022676 k( 384) = ( 0.4725610 0.4725610 0.5548781), wk = 0.0022676 k( 385) = ( 0.4695122 0.4695122 0.5609756), wk = 0.0022676 k( 386) = ( 0.4664634 0.4664634 0.5670732), wk = 0.0022676 k( 387) = ( 0.4634146 0.4634146 0.5731707), wk = 0.0022676 k( 388) = ( 0.4603659 0.4603659 0.5792683), wk = 0.0022676 k( 389) = ( 0.4573171 0.4573171 0.5853658), wk = 0.0022676 k( 390) = ( 0.4542683 0.4542683 0.5914634), wk = 0.0022676 k( 391) = ( 0.4512195 0.4512195 0.5975610), wk = 0.0022676 k( 392) = ( 0.4481707 0.4481707 0.6036585), wk = 0.0022676 k( 393) = ( 0.4451219 0.4451220 0.6097561), wk = 0.0022676 k( 394) = ( 0.4420732 0.4420732 0.6158537), wk = 0.0022676 k( 395) = ( 0.4390244 0.4390244 0.6219512), wk = 0.0022676 k( 396) = ( 0.4359756 0.4359756 0.6280488), wk = 0.0022676 k( 397) = ( 0.4329268 0.4329268 0.6341463), wk = 0.0022676 k( 398) = ( 0.4298781 0.4298781 0.6402439), wk = 0.0022676 k( 399) = ( 0.4268293 0.4268293 0.6463415), wk = 0.0022676 k( 400) = ( 0.4237805 0.4237805 0.6524390), wk = 0.0022676 k( 401) = ( 0.4207317 0.4207317 0.6585366), wk = 0.0022676 k( 402) = ( 0.4176829 0.4176829 0.6646342), wk = 0.0022676 k( 403) = ( 0.4146341 0.4146341 0.6707317), wk = 0.0022676 k( 404) = ( 0.4115854 0.4115854 0.6768293), wk = 0.0022676 k( 405) = ( 0.4085366 0.4085366 0.6829268), wk = 0.0022676 k( 406) = ( 0.4054878 0.4054878 0.6890244), wk = 0.0022676 k( 407) = ( 0.4024390 0.4024390 0.6951220), wk = 0.0022676 k( 408) = ( 0.3993902 0.3993902 0.7012195), wk = 0.0022676 k( 409) = ( 0.3963415 0.3963415 0.7073171), wk = 0.0022676 k( 410) = ( 0.3932927 0.3932927 0.7134146), wk = 0.0022676 k( 411) = ( 0.3902439 0.3902439 0.7195122), wk = 0.0022676 k( 412) = ( 0.3871951 0.3871951 0.7256098), wk = 0.0022676 k( 413) = ( 0.3841463 0.3841463 0.7317073), wk = 0.0022676 k( 414) = ( 0.3810976 0.3810976 0.7378049), wk = 0.0022676 k( 415) = ( 0.3780488 0.3780488 0.7439024), wk = 0.0022676 k( 416) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022676 k( 417) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022676 k( 418) = ( 0.6197917 0.2395833 0.6197917), wk = 0.0022676 k( 419) = ( 0.6145833 0.2291667 0.6145833), wk = 0.0022676 k( 420) = ( 0.6093750 0.2187500 0.6093750), wk = 0.0022676 k( 421) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0022676 k( 422) = ( 0.5989583 0.1979167 0.5989583), wk = 0.0022676 k( 423) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0022676 k( 424) = ( 0.5885417 0.1770833 0.5885417), wk = 0.0022676 k( 425) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0022676 k( 426) = ( 0.5781250 0.1562500 0.5781250), wk = 0.0022676 k( 427) = ( 0.5729167 0.1458333 0.5729167), wk = 0.0022676 k( 428) = ( 0.5677083 0.1354167 0.5677083), wk = 0.0022676 k( 429) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0022676 k( 430) = ( 0.5572917 0.1145833 0.5572917), wk = 0.0022676 k( 431) = ( 0.5520833 0.1041667 0.5520833), wk = 0.0022676 k( 432) = ( 0.5468750 0.0937500 0.5468750), wk = 0.0022676 k( 433) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0022676 k( 434) = ( 0.5364583 0.0729167 0.5364583), wk = 0.0022676 k( 435) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0022676 k( 436) = ( 0.5260417 0.0520833 0.5260417), wk = 0.0022676 k( 437) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0022676 k( 438) = ( 0.5156250 0.0312500 0.5156250), wk = 0.0022676 k( 439) = ( 0.5104167 0.0208333 0.5104167), wk = 0.0022676 k( 440) = ( 0.5052083 0.0104167 0.5052083), wk = 0.0022676 k( 441) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022676 Dense grid: 17477 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 7991 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 44, 26) NL pseudopotentials 0.02 Mb ( 22, 48) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 365) G-vector shells 0.00 Mb ( 163) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.07 Mb ( 44, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.04 Mb ( 48, 2, 26) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./NbN.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.7 secs Computing kpt #: 2 total cpu time spent up to now is 41.3 secs Computing kpt #: 3 total cpu time spent up to now is 42.1 secs Computing kpt #: 4 total cpu time spent up to now is 42.6 secs Computing kpt #: 5 total cpu time spent up to now is 42.9 secs Computing kpt #: 6 total cpu time spent up to now is 43.2 secs Computing kpt #: 7 total cpu time spent up to now is 43.6 secs Computing kpt #: 8 total cpu time spent up to now is 44.0 secs Computing kpt #: 9 total cpu time spent up to now is 44.3 secs Computing kpt #: 10 total cpu time spent up to now is 44.6 secs Computing kpt #: 11 total cpu time spent up to now is 44.8 secs Computing kpt #: 12 total cpu time spent up to now is 45.1 secs Computing kpt #: 13 total cpu time spent up to now is 45.4 secs Computing kpt #: 14 total cpu time spent up to now is 45.7 secs Computing kpt #: 15 total cpu time spent up to now is 46.0 secs Computing kpt #: 16 total cpu time spent up to now is 46.3 secs Computing kpt #: 17 total cpu time spent up to now is 46.6 secs Computing kpt #: 18 total cpu time spent up to now is 46.9 secs Computing kpt #: 19 total cpu time spent up to now is 47.3 secs Computing kpt #: 20 total cpu time spent up to now is 47.6 secs Computing kpt #: 21 total cpu time spent up to now is 47.9 secs Computing kpt #: 22 total cpu time spent up to now is 48.2 secs Computing kpt #: 23 total cpu time spent up to now is 48.5 secs Computing kpt #: 24 total cpu time spent up to now is 48.9 secs Computing kpt #: 25 total cpu time spent up to now is 49.2 secs Computing kpt #: 26 total cpu time spent up to now is 49.5 secs Computing kpt #: 27 total cpu time spent up to now is 49.9 secs Computing kpt #: 28 total cpu time spent up to now is 50.3 secs Computing kpt #: 29 total cpu time spent up to now is 50.6 secs Computing kpt #: 30 total cpu time spent up to now is 50.9 secs Computing kpt #: 31 total cpu time spent up to now is 51.1 secs Computing kpt #: 32 total cpu time spent up to now is 51.4 secs Computing kpt #: 33 total cpu time spent up to now is 51.7 secs Computing kpt #: 34 total cpu time spent up to now is 51.9 secs Computing kpt #: 35 total cpu time spent up to now is 52.2 secs Computing kpt #: 36 total cpu time spent up to now is 52.5 secs Computing kpt #: 37 total cpu time spent up to now is 52.7 secs Computing kpt #: 38 total cpu time spent up to now is 53.0 secs Computing kpt #: 39 total cpu time spent up to now is 53.4 secs Computing kpt #: 40 total cpu time spent up to now is 53.8 secs Computing kpt #: 41 total cpu time spent up to now is 54.2 secs Computing kpt #: 42 total cpu time spent up to now is 54.8 secs Computing kpt #: 43 total cpu time spent up to now is 55.5 secs Computing kpt #: 44 total cpu time spent up to now is 55.8 secs Computing kpt #: 45 total cpu time spent up to now is 56.0 secs Computing kpt #: 46 total cpu time spent up to now is 56.6 secs Computing kpt #: 47 total cpu time spent up to now is 57.1 secs Computing kpt #: 48 total cpu time spent up to now is 57.4 secs Computing kpt #: 49 total cpu time spent up to now is 57.8 secs Computing kpt #: 50 total cpu time spent up to now is 58.0 secs Computing kpt #: 51 total cpu time spent up to now is 58.2 secs Computing kpt #: 52 total cpu time spent up to now is 58.4 secs Computing kpt #: 53 total cpu time spent up to now is 58.6 secs Computing kpt #: 54 total cpu time spent up to now is 58.9 secs Computing kpt #: 55 total cpu time spent up to now is 59.1 secs Computing kpt #: 56 total cpu time spent up to now is 59.3 secs Computing kpt #: 57 total cpu time spent up to now is 59.5 secs Computing kpt #: 58 total cpu time spent up to now is 59.7 secs Computing kpt #: 59 total cpu time spent up to now is 59.9 secs Computing kpt #: 60 total cpu time spent up to now is 60.1 secs Computing kpt #: 61 total cpu time spent up to now is 60.3 secs Computing kpt #: 62 total cpu time spent up to now is 60.5 secs Computing kpt #: 63 total cpu time spent up to now is 60.7 secs Computing kpt #: 64 total cpu time spent up to now is 60.9 secs Computing kpt #: 65 total cpu time spent up to now is 61.2 secs Computing kpt #: 66 total cpu time spent up to now is 61.4 secs Computing kpt #: 67 total cpu time spent up to now is 61.7 secs Computing kpt #: 68 total cpu time spent up to now is 61.9 secs Computing kpt #: 69 total cpu time spent up to now is 62.1 secs Computing kpt #: 70 total cpu time spent up to now is 62.3 secs Computing kpt #: 71 total cpu time spent up to now is 62.6 secs Computing kpt #: 72 total cpu time spent up to now is 62.8 secs Computing kpt #: 73 total cpu time spent up to now is 63.0 secs Computing kpt #: 74 total cpu time spent up to now is 63.2 secs Computing kpt #: 75 total cpu time spent up to now is 63.4 secs Computing kpt #: 76 total cpu time spent up to now is 63.6 secs Computing kpt #: 77 total cpu time spent up to now is 63.8 secs Computing kpt #: 78 total cpu time spent up to now is 64.0 secs Computing kpt #: 79 total cpu time spent up to now is 64.2 secs Computing kpt #: 80 total cpu time spent up to now is 64.4 secs Computing kpt #: 81 total cpu time spent up to now is 64.6 secs Computing kpt #: 82 total cpu time spent up to now is 64.8 secs Computing kpt #: 83 total cpu time spent up to now is 65.0 secs Computing kpt #: 84 total cpu time spent up to now is 65.2 secs Computing kpt #: 85 total cpu time spent up to now is 65.5 secs Computing kpt #: 86 total cpu time spent up to now is 65.7 secs Computing kpt #: 87 total cpu time spent up to now is 65.9 secs Computing kpt #: 88 total cpu time spent up to now is 66.2 secs Computing kpt #: 89 total cpu time spent up to now is 66.5 secs Computing kpt #: 90 total cpu time spent up to now is 66.7 secs Computing kpt #: 91 total cpu time spent up to now is 66.9 secs Computing kpt #: 92 total cpu time spent up to now is 67.2 secs Computing kpt #: 93 total cpu time spent up to now is 67.4 secs Computing kpt #: 94 total cpu time spent up to now is 67.7 secs Computing kpt #: 95 total cpu time spent up to now is 67.9 secs Computing kpt #: 96 total cpu time spent up to now is 68.0 secs Computing kpt #: 97 total cpu time spent up to now is 68.2 secs Computing kpt #: 98 total cpu time spent up to now is 68.4 secs Computing kpt #: 99 total cpu time spent up to now is 68.6 secs Computing kpt #: 100 total cpu time spent up to now is 68.8 secs Computing kpt #: 101 total cpu time spent up to now is 69.0 secs Computing kpt #: 102 total cpu time spent up to now is 69.2 secs Computing kpt #: 103 total cpu time spent up to now is 69.4 secs Computing kpt #: 104 total cpu time spent up to now is 69.6 secs Computing kpt #: 105 total cpu time spent up to now is 69.8 secs Computing kpt #: 106 total cpu time spent up to now is 69.9 secs Computing kpt #: 107 total cpu time spent up to now is 70.1 secs Computing kpt #: 108 total cpu time spent up to now is 70.3 secs Computing kpt #: 109 total cpu time spent up to now is 70.5 secs Computing kpt #: 110 total cpu time spent up to now is 71.2 secs Computing kpt #: 111 total cpu time spent up to now is 71.4 secs Computing kpt #: 112 total cpu time spent up to now is 71.7 secs Computing kpt #: 113 total cpu time spent up to now is 72.0 secs Computing kpt #: 114 total cpu time spent up to now is 72.3 secs Computing kpt #: 115 total cpu time spent up to now is 72.6 secs Computing kpt #: 116 total cpu time spent up to now is 72.8 secs Computing kpt #: 117 total cpu time spent up to now is 73.1 secs Computing kpt #: 118 total cpu time spent up to now is 73.4 secs Computing kpt #: 119 total cpu time spent up to now is 73.6 secs Computing kpt #: 120 total cpu time spent up to now is 73.9 secs Computing kpt #: 121 total cpu time spent up to now is 74.1 secs Computing kpt #: 122 total cpu time spent up to now is 74.3 secs Computing kpt #: 123 total cpu time spent up to now is 74.5 secs Computing kpt #: 124 total cpu time spent up to now is 74.8 secs Computing kpt #: 125 total cpu time spent up to now is 75.0 secs Computing kpt #: 126 total cpu time spent up to now is 75.2 secs Computing kpt #: 127 total cpu time spent up to now is 75.4 secs Computing kpt #: 128 total cpu time spent up to now is 75.6 secs Computing kpt #: 129 total cpu time spent up to now is 75.8 secs Computing kpt #: 130 total cpu time spent up to now is 76.0 secs Computing kpt #: 131 total cpu time spent up to now is 76.2 secs Computing kpt #: 132 total cpu time spent up to now is 76.4 secs Computing kpt #: 133 total cpu time spent up to now is 76.6 secs Computing kpt #: 134 total cpu time spent up to now is 76.9 secs Computing kpt #: 135 total cpu time spent up to now is 77.1 secs Computing kpt #: 136 total cpu time spent up to now is 77.3 secs Computing kpt #: 137 total cpu time spent up to now is 77.5 secs Computing kpt #: 138 total cpu time spent up to now is 77.8 secs Computing kpt #: 139 total cpu time spent up to now is 78.2 secs Computing kpt #: 140 total cpu time spent up to now is 78.7 secs Computing kpt #: 141 total cpu time spent up to now is 79.0 secs Computing kpt #: 142 total cpu time spent up to now is 79.3 secs Computing kpt #: 143 total cpu time spent up to now is 79.6 secs Computing kpt #: 144 total cpu time spent up to now is 79.9 secs Computing kpt #: 145 total cpu time spent up to now is 80.1 secs Computing kpt #: 146 total cpu time spent up to now is 80.4 secs Computing kpt #: 147 total cpu time spent up to now is 80.6 secs Computing kpt #: 148 total cpu time spent up to now is 80.8 secs Computing kpt #: 149 total cpu time spent up to now is 81.0 secs Computing kpt #: 150 total cpu time spent up to now is 81.3 secs Computing kpt #: 151 total cpu time spent up to now is 81.5 secs Computing kpt #: 152 total cpu time spent up to now is 81.7 secs Computing kpt #: 153 total cpu time spent up to now is 81.9 secs Computing kpt #: 154 total cpu time spent up to now is 82.2 secs Computing kpt #: 155 total cpu time spent up to now is 82.4 secs Computing kpt #: 156 total cpu time spent up to now is 82.6 secs Computing kpt #: 157 total cpu time spent up to now is 82.9 secs Computing kpt #: 158 total cpu time spent up to now is 83.1 secs Computing kpt #: 159 total cpu time spent up to now is 83.5 secs Computing kpt #: 160 total cpu time spent up to now is 83.9 secs Computing kpt #: 161 total cpu time spent up to now is 84.3 secs Computing kpt #: 162 total cpu time spent up to now is 84.6 secs Computing kpt #: 163 total cpu time spent up to now is 85.3 secs Computing kpt #: 164 total cpu time spent up to now is 85.7 secs Computing kpt #: 165 total cpu time spent up to now is 86.3 secs Computing kpt #: 166 total cpu time spent up to now is 86.6 secs Computing kpt #: 167 total cpu time spent up to now is 86.9 secs Computing kpt #: 168 total cpu time spent up to now is 87.1 secs Computing kpt #: 169 total cpu time spent up to now is 87.4 secs Computing kpt #: 170 total cpu time spent up to now is 87.7 secs Computing kpt #: 171 total cpu time spent up to now is 87.9 secs Computing kpt #: 172 total cpu time spent up to now is 88.1 secs Computing kpt #: 173 total cpu time spent up to now is 88.4 secs Computing kpt #: 174 total cpu time spent up to now is 88.6 secs Computing kpt #: 175 total cpu time spent up to now is 88.9 secs Computing kpt #: 176 total cpu time spent up to now is 89.7 secs Computing kpt #: 177 total cpu time spent up to now is 90.3 secs Computing kpt #: 178 total cpu time spent up to now is 90.6 secs Computing kpt #: 179 total cpu time spent up to now is 90.9 secs Computing kpt #: 180 total cpu time spent up to now is 91.2 secs Computing kpt #: 181 total cpu time spent up to now is 92.1 secs Computing kpt #: 182 total cpu time spent up to now is 92.5 secs Computing kpt #: 183 total cpu time spent up to now is 92.9 secs Computing kpt #: 184 total cpu time spent up to now is 93.2 secs Computing kpt #: 185 total cpu time spent up to now is 93.6 secs Computing kpt #: 186 total cpu time spent up to now is 93.9 secs Computing kpt #: 187 total cpu time spent up to now is 94.2 secs Computing kpt #: 188 total cpu time spent up to now is 94.4 secs Computing kpt #: 189 total cpu time spent up to now is 94.7 secs Computing kpt #: 190 total cpu time spent up to now is 95.0 secs Computing kpt #: 191 total cpu time spent up to now is 95.3 secs Computing kpt #: 192 total cpu time spent up to now is 95.7 secs Computing kpt #: 193 total cpu time spent up to now is 96.0 secs Computing kpt #: 194 total cpu time spent up to now is 96.4 secs Computing kpt #: 195 total cpu time spent up to now is 96.7 secs Computing kpt #: 196 total cpu time spent up to now is 97.0 secs Computing kpt #: 197 total cpu time spent up to now is 97.4 secs Computing kpt #: 198 total cpu time spent up to now is 97.7 secs Computing kpt #: 199 total cpu time spent up to now is 98.0 secs Computing kpt #: 200 total cpu time spent up to now is 98.3 secs Computing kpt #: 201 total cpu time spent up to now is 98.5 secs Computing kpt #: 202 total cpu time spent up to now is 98.9 secs Computing kpt #: 203 total cpu time spent up to now is 99.2 secs Computing kpt #: 204 total cpu time spent up to now is 99.6 secs Computing kpt #: 205 total cpu time spent up to now is 99.9 secs Computing kpt #: 206 total cpu time spent up to now is 100.2 secs Computing kpt #: 207 total cpu time spent up to now is 100.5 secs Computing kpt #: 208 total cpu time spent up to now is 100.9 secs Computing kpt #: 209 total cpu time spent up to now is 101.4 secs Computing kpt #: 210 total cpu time spent up to now is 102.1 secs Computing kpt #: 211 total cpu time spent up to now is 102.6 secs Computing kpt #: 212 total cpu time spent up to now is 102.9 secs Computing kpt #: 213 total cpu time spent up to now is 103.2 secs Computing kpt #: 214 total cpu time spent up to now is 103.6 secs Computing kpt #: 215 total cpu time spent up to now is 103.9 secs Computing kpt #: 216 total cpu time spent up to now is 104.2 secs Computing kpt #: 217 total cpu time spent up to now is 104.5 secs Computing kpt #: 218 total cpu time spent up to now is 104.8 secs Computing kpt #: 219 total cpu time spent up to now is 105.1 secs Computing kpt #: 220 total cpu time spent up to now is 105.7 secs Computing kpt #: 221 total cpu time spent up to now is 106.0 secs Computing kpt #: 222 total cpu time spent up to now is 106.3 secs Computing kpt #: 223 total cpu time spent up to now is 106.6 secs Computing kpt #: 224 total cpu time spent up to now is 107.0 secs Computing kpt #: 225 total cpu time spent up to now is 107.3 secs Computing kpt #: 226 total cpu time spent up to now is 107.6 secs Computing kpt #: 227 total cpu time spent up to now is 108.0 secs Computing kpt #: 228 total cpu time spent up to now is 108.3 secs Computing kpt #: 229 total cpu time spent up to now is 108.7 secs Computing kpt #: 230 total cpu time spent up to now is 109.1 secs Computing kpt #: 231 total cpu time spent up to now is 109.4 secs Computing kpt #: 232 total cpu time spent up to now is 109.7 secs Computing kpt #: 233 total cpu time spent up to now is 110.0 secs Computing kpt #: 234 total cpu time spent up to now is 110.3 secs Computing kpt #: 235 total cpu time spent up to now is 110.6 secs Computing kpt #: 236 total cpu time spent up to now is 110.9 secs Computing kpt #: 237 total cpu time spent up to now is 111.2 secs Computing kpt #: 238 total cpu time spent up to now is 111.6 secs Computing kpt #: 239 total cpu time spent up to now is 111.8 secs Computing kpt #: 240 total cpu time spent up to now is 112.0 secs Computing kpt #: 241 total cpu time spent up to now is 112.5 secs Computing kpt #: 242 total cpu time spent up to now is 112.7 secs Computing kpt #: 243 total cpu time spent up to now is 113.0 secs Computing kpt #: 244 total cpu time spent up to now is 113.3 secs Computing kpt #: 245 total cpu time spent up to now is 113.6 secs Computing kpt #: 246 total cpu time spent up to now is 113.9 secs Computing kpt #: 247 total cpu time spent up to now is 114.2 secs Computing kpt #: 248 total cpu time spent up to now is 114.6 secs Computing kpt #: 249 total cpu time spent up to now is 114.9 secs Computing kpt #: 250 total cpu time spent up to now is 115.1 secs Computing kpt #: 251 total cpu time spent up to now is 115.4 secs Computing kpt #: 252 total cpu time spent up to now is 115.6 secs Computing kpt #: 253 total cpu time spent up to now is 116.0 secs Computing kpt #: 254 total cpu time spent up to now is 116.2 secs Computing kpt #: 255 total cpu time spent up to now is 116.5 secs Computing kpt #: 256 total cpu time spent up to now is 116.7 secs Computing kpt #: 257 total cpu time spent up to now is 116.9 secs Computing kpt #: 258 total cpu time spent up to now is 117.1 secs Computing kpt #: 259 total cpu time spent up to now is 117.3 secs Computing kpt #: 260 total cpu time spent up to now is 117.5 secs Computing kpt #: 261 total cpu time spent up to now is 117.7 secs Computing kpt #: 262 total cpu time spent up to now is 118.0 secs Computing kpt #: 263 total cpu time spent up to now is 118.2 secs Computing kpt #: 264 total cpu time spent up to now is 118.4 secs Computing kpt #: 265 total cpu time spent up to now is 118.6 secs Computing kpt #: 266 total cpu time spent up to now is 119.0 secs Computing kpt #: 267 total cpu time spent up to now is 119.2 secs Computing kpt #: 268 total cpu time spent up to now is 119.5 secs Computing kpt #: 269 total cpu time spent up to now is 119.8 secs Computing kpt #: 270 total cpu time spent up to now is 120.0 secs Computing kpt #: 271 total cpu time spent up to now is 120.3 secs Computing kpt #: 272 total cpu time spent up to now is 120.5 secs Computing kpt #: 273 total cpu time spent up to now is 120.7 secs Computing kpt #: 274 total cpu time spent up to now is 121.0 secs Computing kpt #: 275 total cpu time spent up to now is 121.2 secs Computing kpt #: 276 total cpu time spent up to now is 121.4 secs Computing kpt #: 277 total cpu time spent up to now is 121.6 secs Computing kpt #: 278 total cpu time spent up to now is 121.9 secs Computing kpt #: 279 total cpu time spent up to now is 122.1 secs Computing kpt #: 280 total cpu time spent up to now is 122.3 secs Computing kpt #: 281 total cpu time spent up to now is 122.6 secs Computing kpt #: 282 total cpu time spent up to now is 122.8 secs Computing kpt #: 283 total cpu time spent up to now is 123.1 secs Computing kpt #: 284 total cpu time spent up to now is 123.3 secs Computing kpt #: 285 total cpu time spent up to now is 123.5 secs Computing kpt #: 286 total cpu time spent up to now is 123.7 secs Computing kpt #: 287 total cpu time spent up to now is 123.9 secs Computing kpt #: 288 total cpu time spent up to now is 124.1 secs Computing kpt #: 289 total cpu time spent up to now is 124.3 secs Computing kpt #: 290 total cpu time spent up to now is 124.6 secs Computing kpt #: 291 total cpu time spent up to now is 124.8 secs Computing kpt #: 292 total cpu time spent up to now is 125.0 secs Computing kpt #: 293 total cpu time spent up to now is 125.3 secs Computing kpt #: 294 total cpu time spent up to now is 125.5 secs Computing kpt #: 295 total cpu time spent up to now is 125.7 secs Computing kpt #: 296 total cpu time spent up to now is 125.9 secs Computing kpt #: 297 total cpu time spent up to now is 126.2 secs Computing kpt #: 298 total cpu time spent up to now is 126.4 secs Computing kpt #: 299 total cpu time spent up to now is 126.7 secs Computing kpt #: 300 total cpu time spent up to now is 127.0 secs Computing kpt #: 301 total cpu time spent up to now is 127.2 secs Computing kpt #: 302 total cpu time spent up to now is 127.4 secs Computing kpt #: 303 total cpu time spent up to now is 127.6 secs Computing kpt #: 304 total cpu time spent up to now is 127.8 secs Computing kpt #: 305 total cpu time spent up to now is 128.0 secs Computing kpt #: 306 total cpu time spent up to now is 128.2 secs Computing kpt #: 307 total cpu time spent up to now is 128.4 secs Computing kpt #: 308 total cpu time spent up to now is 128.6 secs Computing kpt #: 309 total cpu time spent up to now is 128.8 secs Computing kpt #: 310 total cpu time spent up to now is 129.0 secs Computing kpt #: 311 total cpu time spent up to now is 129.2 secs Computing kpt #: 312 total cpu time spent up to now is 129.4 secs Computing kpt #: 313 total cpu time spent up to now is 129.6 secs Computing kpt #: 314 total cpu time spent up to now is 129.8 secs Computing kpt #: 315 total cpu time spent up to now is 130.0 secs Computing kpt #: 316 total cpu time spent up to now is 130.2 secs Computing kpt #: 317 total cpu time spent up to now is 130.4 secs Computing kpt #: 318 total cpu time spent up to now is 130.6 secs Computing kpt #: 319 total cpu time spent up to now is 130.9 secs Computing kpt #: 320 total cpu time spent up to now is 131.1 secs Computing kpt #: 321 total cpu time spent up to now is 131.3 secs Computing kpt #: 322 total cpu time spent up to now is 131.5 secs Computing kpt #: 323 total cpu time spent up to now is 131.7 secs Computing kpt #: 324 total cpu time spent up to now is 132.0 secs Computing kpt #: 325 total cpu time spent up to now is 132.2 secs Computing kpt #: 326 total cpu time spent up to now is 132.5 secs Computing kpt #: 327 total cpu time spent up to now is 132.8 secs Computing kpt #: 328 total cpu time spent up to now is 133.1 secs Computing kpt #: 329 total cpu time spent up to now is 133.3 secs Computing kpt #: 330 total cpu time spent up to now is 133.5 secs Computing kpt #: 331 total cpu time spent up to now is 133.8 secs Computing kpt #: 332 total cpu time spent up to now is 134.0 secs Computing kpt #: 333 total cpu time spent up to now is 134.2 secs Computing kpt #: 334 total cpu time spent up to now is 134.4 secs Computing kpt #: 335 total cpu time spent up to now is 134.6 secs Computing kpt #: 336 total cpu time spent up to now is 134.9 secs Computing kpt #: 337 total cpu time spent up to now is 135.1 secs Computing kpt #: 338 total cpu time spent up to now is 135.3 secs Computing kpt #: 339 total cpu time spent up to now is 135.5 secs Computing kpt #: 340 total cpu time spent up to now is 135.7 secs Computing kpt #: 341 total cpu time spent up to now is 135.9 secs Computing kpt #: 342 total cpu time spent up to now is 136.1 secs Computing kpt #: 343 total cpu time spent up to now is 136.3 secs Computing kpt #: 344 total cpu time spent up to now is 136.5 secs Computing kpt #: 345 total cpu time spent up to now is 136.7 secs Computing kpt #: 346 total cpu time spent up to now is 137.0 secs Computing kpt #: 347 total cpu time spent up to now is 137.6 secs Computing kpt #: 348 total cpu time spent up to now is 138.1 secs Computing kpt #: 349 total cpu time spent up to now is 138.3 secs Computing kpt #: 350 total cpu time spent up to now is 138.6 secs Computing kpt #: 351 total cpu time spent up to now is 138.9 secs Computing kpt #: 352 total cpu time spent up to now is 139.1 secs Computing kpt #: 353 total cpu time spent up to now is 139.4 secs Computing kpt #: 354 total cpu time spent up to now is 139.6 secs Computing kpt #: 355 total cpu time spent up to now is 139.9 secs Computing kpt #: 356 total cpu time spent up to now is 140.1 secs Computing kpt #: 357 total cpu time spent up to now is 140.4 secs Computing kpt #: 358 total cpu time spent up to now is 140.6 secs Computing kpt #: 359 total cpu time spent up to now is 140.9 secs Computing kpt #: 360 total cpu time spent up to now is 141.1 secs Computing kpt #: 361 total cpu time spent up to now is 141.3 secs Computing kpt #: 362 total cpu time spent up to now is 141.5 secs Computing kpt #: 363 total cpu time spent up to now is 141.8 secs Computing kpt #: 364 total cpu time spent up to now is 142.0 secs Computing kpt #: 365 total cpu time spent up to now is 142.2 secs Computing kpt #: 366 total cpu time spent up to now is 142.4 secs Computing kpt #: 367 total cpu time spent up to now is 142.7 secs Computing kpt #: 368 total cpu time spent up to now is 142.9 secs Computing kpt #: 369 total cpu time spent up to now is 143.2 secs Computing kpt #: 370 total cpu time spent up to now is 143.4 secs Computing kpt #: 371 total cpu time spent up to now is 143.7 secs Computing kpt #: 372 total cpu time spent up to now is 143.9 secs Computing kpt #: 373 total cpu time spent up to now is 144.2 secs Computing kpt #: 374 total cpu time spent up to now is 144.5 secs Computing kpt #: 375 total cpu time spent up to now is 144.7 secs Computing kpt #: 376 total cpu time spent up to now is 145.3 secs Computing kpt #: 377 total cpu time spent up to now is 146.0 secs Computing kpt #: 378 total cpu time spent up to now is 146.5 secs Computing kpt #: 379 total cpu time spent up to now is 146.8 secs Computing kpt #: 380 total cpu time spent up to now is 147.0 secs Computing kpt #: 381 total cpu time spent up to now is 147.3 secs Computing kpt #: 382 total cpu time spent up to now is 147.5 secs Computing kpt #: 383 total cpu time spent up to now is 147.7 secs Computing kpt #: 384 total cpu time spent up to now is 147.9 secs Computing kpt #: 385 total cpu time spent up to now is 148.1 secs Computing kpt #: 386 total cpu time spent up to now is 148.4 secs Computing kpt #: 387 total cpu time spent up to now is 148.6 secs Computing kpt #: 388 total cpu time spent up to now is 148.9 secs Computing kpt #: 389 total cpu time spent up to now is 149.3 secs Computing kpt #: 390 total cpu time spent up to now is 149.7 secs Computing kpt #: 391 total cpu time spent up to now is 150.0 secs Computing kpt #: 392 total cpu time spent up to now is 150.6 secs Computing kpt #: 393 total cpu time spent up to now is 150.9 secs Computing kpt #: 394 total cpu time spent up to now is 151.2 secs Computing kpt #: 395 total cpu time spent up to now is 151.4 secs Computing kpt #: 396 total cpu time spent up to now is 151.6 secs Computing kpt #: 397 total cpu time spent up to now is 151.8 secs Computing kpt #: 398 total cpu time spent up to now is 152.1 secs Computing kpt #: 399 total cpu time spent up to now is 152.3 secs Computing kpt #: 400 total cpu time spent up to now is 152.5 secs Computing kpt #: 401 total cpu time spent up to now is 152.7 secs Computing kpt #: 402 total cpu time spent up to now is 152.9 secs Computing kpt #: 403 total cpu time spent up to now is 153.1 secs Computing kpt #: 404 total cpu time spent up to now is 153.4 secs Computing kpt #: 405 total cpu time spent up to now is 153.6 secs Computing kpt #: 406 total cpu time spent up to now is 153.8 secs Computing kpt #: 407 total cpu time spent up to now is 154.0 secs Computing kpt #: 408 total cpu time spent up to now is 154.2 secs Computing kpt #: 409 total cpu time spent up to now is 154.4 secs Computing kpt #: 410 total cpu time spent up to now is 154.6 secs Computing kpt #: 411 total cpu time spent up to now is 154.8 secs Computing kpt #: 412 total cpu time spent up to now is 155.1 secs Computing kpt #: 413 total cpu time spent up to now is 155.4 secs Computing kpt #: 414 total cpu time spent up to now is 155.6 secs Computing kpt #: 415 total cpu time spent up to now is 155.8 secs Computing kpt #: 416 total cpu time spent up to now is 156.1 secs Computing kpt #: 417 total cpu time spent up to now is 156.3 secs Computing kpt #: 418 total cpu time spent up to now is 156.6 secs Computing kpt #: 419 total cpu time spent up to now is 156.9 secs Computing kpt #: 420 total cpu time spent up to now is 157.1 secs Computing kpt #: 421 total cpu time spent up to now is 157.8 secs Computing kpt #: 422 total cpu time spent up to now is 158.5 secs Computing kpt #: 423 total cpu time spent up to now is 158.9 secs Computing kpt #: 424 total cpu time spent up to now is 159.2 secs Computing kpt #: 425 total cpu time spent up to now is 159.4 secs Computing kpt #: 426 total cpu time spent up to now is 159.6 secs Computing kpt #: 427 total cpu time spent up to now is 159.8 secs Computing kpt #: 428 total cpu time spent up to now is 160.0 secs Computing kpt #: 429 total cpu time spent up to now is 160.2 secs Computing kpt #: 430 total cpu time spent up to now is 160.4 secs Computing kpt #: 431 total cpu time spent up to now is 160.6 secs Computing kpt #: 432 total cpu time spent up to now is 160.8 secs Computing kpt #: 433 total cpu time spent up to now is 161.0 secs Computing kpt #: 434 total cpu time spent up to now is 161.2 secs Computing kpt #: 435 total cpu time spent up to now is 161.4 secs Computing kpt #: 436 total cpu time spent up to now is 161.6 secs Computing kpt #: 437 total cpu time spent up to now is 161.8 secs Computing kpt #: 438 total cpu time spent up to now is 162.1 secs Computing kpt #: 439 total cpu time spent up to now is 162.4 secs Computing kpt #: 440 total cpu time spent up to now is 162.9 secs Computing kpt #: 441 total cpu time spent up to now is 163.1 secs ethr = 5.56E-11, avg # of iterations = 15.7 total cpu time spent up to now is 163.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 965 PWs) bands (ev): -40.2452 -40.2452 -17.6518 -17.6518 -15.5272 -15.5272 -15.5272 -15.5272 -0.8201 -0.8201 9.1691 9.1691 9.1691 9.1691 9.1774 9.1774 15.5392 15.5392 15.9866 15.9866 15.9866 15.9866 21.0492 21.0492 21.0492 21.0492 k = 0.0075-0.0043 0.0061 ( 965 PWs) bands (ev): -40.2452 -40.2452 -17.6520 -17.6520 -15.5275 -15.5275 -15.5273 -15.5273 -0.8193 -0.8193 9.1683 9.1683 9.1700 9.1700 9.1777 9.1777 15.5429 15.5429 15.9835 15.9835 15.9878 15.9878 21.0473 21.0473 21.0511 21.0511 k = 0.0149-0.0086 0.0122 ( 965 PWs) bands (ev): -40.2451 -40.2451 -17.6525 -17.6525 -15.5284 -15.5284 -15.5277 -15.5277 -0.8169 -0.8169 9.1648 9.1648 9.1725 9.1725 9.1795 9.1795 15.5539 15.5539 15.9757 15.9757 15.9899 15.9899 21.0454 21.0454 21.0530 21.0530 k = 0.0224-0.0129 0.0183 ( 965 PWs) bands (ev): -40.2449 -40.2449 -17.6532 -17.6532 -15.5298 -15.5298 -15.5283 -15.5283 -0.8128 -0.8128 9.1581 9.1581 9.1767 9.1767 9.1837 9.1837 15.5722 15.5722 15.9629 15.9629 15.9932 15.9932 21.0435 21.0435 21.0548 21.0548 k = 0.0299-0.0172 0.0244 ( 969 PWs) bands (ev): -40.2447 -40.2447 -17.6543 -17.6543 -15.5318 -15.5318 -15.5291 -15.5291 -0.8071 -0.8071 9.1483 9.1483 9.1825 9.1825 9.1899 9.1899 15.5977 15.5977 15.9452 15.9452 15.9979 15.9979 21.0414 21.0414 21.0566 21.0566 k = 0.0373-0.0215 0.0305 ( 981 PWs) bands (ev): -40.2447 -40.2447 -17.6557 -17.6557 -15.5344 -15.5344 -15.5301 -15.5301 -0.7998 -0.7998 9.1357 9.1357 9.1901 9.1901 9.1980 9.1980 15.6302 15.6302 15.9227 15.9227 16.0039 16.0039 21.0392 21.0392 21.0581 21.0581 k = 0.0448-0.0259 0.0366 ( 981 PWs) bands (ev): -40.2443 -40.2443 -17.6574 -17.6574 -15.5374 -15.5374 -15.5314 -15.5314 -0.7909 -0.7909 9.1205 9.1205 9.1993 9.1993 9.2079 9.2079 15.6694 15.6694 15.8957 15.8957 16.0113 16.0113 21.0368 21.0368 21.0594 21.0594 k = 0.0522-0.0302 0.0427 ( 982 PWs) bands (ev): -40.2438 -40.2438 -17.6594 -17.6594 -15.5411 -15.5411 -15.5328 -15.5328 -0.7804 -0.7804 9.1028 9.1028 9.2103 9.2103 9.2197 9.2197 15.7145 15.7145 15.8650 15.8650 16.0200 16.0200 21.0341 21.0341 21.0603 21.0603 k = 0.0597-0.0345 0.0487 ( 990 PWs) bands (ev): -40.2435 -40.2435 -17.6617 -17.6617 -15.5452 -15.5452 -15.5345 -15.5345 -0.7685 -0.7685 9.0829 9.0829 9.2229 9.2229 9.2332 9.2332 15.7617 15.7617 15.8343 15.8343 16.0300 16.0300 21.0310 21.0310 21.0607 21.0607 k = 0.0672-0.0388 0.0548 ( 990 PWs) bands (ev): -40.2428 -40.2428 -17.6642 -17.6642 -15.5499 -15.5499 -15.5364 -15.5364 -0.7550 -0.7550 9.0610 9.0610 9.2373 9.2373 9.2485 9.2485 15.7720 15.7720 15.8427 15.8427 16.0413 16.0413 21.0274 21.0274 21.0606 21.0606 k = 0.0746-0.0431 0.0609 ( 990 PWs) bands (ev): -40.2421 -40.2421 -17.6671 -17.6671 -15.5550 -15.5550 -15.5386 -15.5386 -0.7402 -0.7402 9.0371 9.0371 9.2533 9.2533 9.2656 9.2656 15.7340 15.7340 15.9015 15.9015 16.0540 16.0540 21.0231 21.0231 21.0596 21.0596 k = 0.0821-0.0474 0.0670 ( 990 PWs) bands (ev): -40.2412 -40.2412 -17.6702 -17.6702 -15.5607 -15.5607 -15.5409 -15.5409 -0.7239 -0.7239 9.0117 9.0117 9.2710 9.2710 9.2843 9.2843 15.6870 15.6870 15.9712 15.9712 16.0682 16.0682 21.0180 21.0180 21.0577 21.0577 k = 0.0896-0.0517 0.0731 ( 1002 PWs) bands (ev): -40.2407 -40.2407 -17.6736 -17.6736 -15.5668 -15.5668 -15.5434 -15.5434 -0.7063 -0.7063 8.9847 8.9847 9.2904 9.2904 9.3048 9.3048 15.6355 15.6355 16.0460 16.0460 16.0849 16.0849 21.0118 21.0118 21.0545 21.0545 k = 0.0970-0.0560 0.0792 ( 1002 PWs) bands (ev): -40.2398 -40.2398 -17.6772 -17.6772 -15.5734 -15.5734 -15.5461 -15.5461 -0.6874 -0.6874 8.9565 8.9565 9.3115 9.3115 9.3270 9.3270 15.5805 15.5805 16.0951 16.0951 16.1345 16.1345 21.0046 21.0046 21.0502 21.0502 k = 0.1045-0.0603 0.0853 ( 1002 PWs) bands (ev): -40.2388 -40.2388 -17.6811 -17.6811 -15.5804 -15.5804 -15.5490 -15.5490 -0.6673 -0.6673 8.9273 8.9273 9.3341 9.3341 9.3509 9.3509 15.5224 15.5224 16.1144 16.1144 16.2201 16.2201 20.9961 20.9961 21.0443 21.0443 k = 0.1119-0.0646 0.0914 ( 1002 PWs) bands (ev): -40.2377 -40.2377 -17.6852 -17.6852 -15.5878 -15.5878 -15.5521 -15.5521 -0.6461 -0.6461 8.8973 8.8973 9.3584 9.3584 9.3764 9.3764 15.4615 15.4615 16.1334 16.1334 16.3122 16.3122 20.9861 20.9861 21.0368 21.0368 k = 0.1194-0.0689 0.0975 ( 994 PWs) bands (ev): -40.2363 -40.2363 -17.6896 -17.6896 -15.5956 -15.5956 -15.5553 -15.5553 -0.6237 -0.6237 8.8667 8.8667 9.3844 9.3844 9.4036 9.4036 15.3983 15.3983 16.1534 16.1534 16.4090 16.4090 20.9744 20.9744 21.0275 21.0275 k = 0.1269-0.0732 0.1036 ( 994 PWs) bands (ev): -40.2351 -40.2351 -17.6942 -17.6942 -15.6038 -15.6038 -15.5587 -15.5587 -0.6004 -0.6004 8.8356 8.8356 9.4118 9.4118 9.4323 9.4323 15.3330 15.3330 16.1743 16.1743 16.5100 16.5100 20.9609 20.9609 21.0161 21.0161 k = 0.1343-0.0776 0.1097 ( 994 PWs) bands (ev): -40.2338 -40.2338 -17.6990 -17.6990 -15.6124 -15.6124 -15.5623 -15.5623 -0.5760 -0.5760 8.8043 8.8043 9.4409 9.4409 9.4627 9.4627 15.2659 15.2659 16.1963 16.1963 16.6149 16.6149 20.9453 20.9453 21.0025 21.0025 k = 0.1418-0.0819 0.1158 ( 994 PWs) bands (ev): -40.2325 -40.2325 -17.7040 -17.7040 -15.6212 -15.6212 -15.5660 -15.5660 -0.5508 -0.5508 8.7730 8.7730 9.4715 9.4715 9.4947 9.4947 15.1973 15.1973 16.2193 16.2193 16.7233 16.7233 20.9274 20.9274 20.9865 20.9865 k = 0.1493-0.0862 0.1219 ( 994 PWs) bands (ev): -40.2312 -40.2312 -17.7092 -17.7092 -15.6304 -15.6304 -15.5699 -15.5699 -0.5248 -0.5248 8.7417 8.7417 9.5036 9.5036 9.5282 9.5282 15.1276 15.1276 16.2433 16.2433 16.8347 16.8347 20.9072 20.9072 20.9679 20.9679 k = 0.1567-0.0905 0.1280 ( 998 PWs) bands (ev): -40.2299 -40.2299 -17.7146 -17.7146 -15.6399 -15.6399 -15.5738 -15.5738 -0.4981 -0.4981 8.7107 8.7107 9.5371 9.5371 9.5632 9.5632 15.0568 15.0568 16.2683 16.2683 16.9489 16.9489 20.8843 20.8843 20.9466 20.9466 k = 0.1642-0.0948 0.1341 ( 998 PWs) bands (ev): -40.2284 -40.2284 -17.7202 -17.7202 -15.6496 -15.6496 -15.5780 -15.5780 -0.4708 -0.4708 8.6801 8.6801 9.5722 9.5722 9.5997 9.5997 14.9856 14.9856 16.2943 16.2943 17.0653 17.0653 20.8587 20.8587 20.9224 20.9224 k = 0.1716-0.0991 0.1401 ( 998 PWs) bands (ev): -40.2269 -40.2269 -17.7259 -17.7259 -15.6595 -15.6595 -15.5822 -15.5822 -0.4429 -0.4429 8.6501 8.6501 9.6086 9.6086 9.6376 9.6376 14.9141 14.9141 16.3211 16.3211 17.1834 17.1834 20.8302 20.8302 20.8952 20.8952 k = 0.1791-0.1034 0.1462 ( 998 PWs) bands (ev): -40.2254 -40.2254 -17.7318 -17.7318 -15.6696 -15.6696 -15.5865 -15.5865 -0.4145 -0.4145 8.6207 8.6207 9.6464 9.6464 9.6770 9.6770 14.8426 14.8426 16.3488 16.3488 17.3027 17.3027 20.7987 20.7987 20.8648 20.8648 k = 0.1866-0.1077 0.1523 ( 998 PWs) bands (ev): -40.2238 -40.2238 -17.7378 -17.7378 -15.6799 -15.6799 -15.5909 -15.5909 -0.3858 -0.3858 8.5921 8.5921 9.6856 9.6856 9.7177 9.7177 14.7713 14.7713 16.3773 16.3773 17.4227 17.4227 20.7641 20.7641 20.8312 20.8312 k = 0.1940-0.1120 0.1584 ( 998 PWs) bands (ev): -40.2222 -40.2222 -17.7439 -17.7439 -15.6904 -15.6904 -15.5955 -15.5955 -0.3567 -0.3567 8.5644 8.5644 9.7260 9.7260 9.7597 9.7597 14.7007 14.7007 16.4066 16.4066 17.5427 17.5427 20.7262 20.7262 20.7942 20.7942 k = 0.2015-0.1163 0.1645 ( 998 PWs) bands (ev): -40.2206 -40.2206 -17.7502 -17.7502 -15.7010 -15.7010 -15.6001 -15.6001 -0.3274 -0.3274 8.5376 8.5376 9.7678 9.7678 9.8031 9.8031 14.6307 14.6307 16.4366 16.4366 17.6617 17.6617 20.6852 20.6852 20.7539 20.7539 k = 0.2090-0.1206 0.1706 ( 998 PWs) bands (ev): -40.2189 -40.2189 -17.7565 -17.7565 -15.7117 -15.7117 -15.6047 -15.6047 -0.2980 -0.2980 8.5119 8.5119 9.8107 9.8107 9.8476 9.8476 14.5618 14.5618 16.4672 16.4672 17.7791 17.7791 20.6408 20.6408 20.7101 20.7101 k = 0.2164-0.1249 0.1767 ( 998 PWs) bands (ev): -40.2173 -40.2173 -17.7629 -17.7629 -15.7224 -15.7224 -15.6094 -15.6094 -0.2685 -0.2685 8.4872 8.4872 9.8548 9.8548 9.8934 9.8934 14.4941 14.4941 16.4985 16.4985 17.8937 17.8937 20.5931 20.5931 20.6630 20.6630 k = 0.2239-0.1293 0.1828 ( 998 PWs) bands (ev): -40.2156 -40.2156 -17.7694 -17.7694 -15.7333 -15.7333 -15.6142 -15.6142 -0.2391 -0.2391 8.4636 8.4636 9.9000 9.9000 9.9403 9.9403 14.4279 14.4279 16.5303 16.5303 18.0042 18.0042 20.5422 20.5422 20.6124 20.6124 k = 0.2313-0.1336 0.1889 ( 998 PWs) bands (ev): -40.2139 -40.2139 -17.7759 -17.7759 -15.7441 -15.7441 -15.6190 -15.6190 -0.2098 -0.2098 8.4413 8.4413 9.9463 9.9463 9.9882 9.9882 14.3635 14.3635 16.5627 16.5627 18.1093 18.1093 20.4880 20.4880 20.5585 20.5585 k = 0.2388-0.1379 0.1950 ( 998 PWs) bands (ev): -40.2122 -40.2122 -17.7825 -17.7825 -15.7550 -15.7550 -15.6238 -15.6238 -0.1806 -0.1806 8.4201 8.4201 9.9935 9.9935 10.0372 10.0372 14.3010 14.3010 16.5954 16.5954 18.2075 18.2075 20.4307 20.4307 20.5014 20.5014 k = 0.2463-0.1422 0.2011 ( 998 PWs) bands (ev): -40.2104 -40.2104 -17.7891 -17.7891 -15.7658 -15.7658 -15.6286 -15.6286 -0.1517 -0.1517 8.4002 8.4002 10.0417 10.0417 10.0870 10.0870 14.2407 14.2407 16.6286 16.6286 18.2970 18.2970 20.3703 20.3703 20.4411 20.4411 k = 0.2537-0.1465 0.2072 ( 998 PWs) bands (ev): -40.2087 -40.2087 -17.7957 -17.7957 -15.7766 -15.7766 -15.6334 -15.6334 -0.1231 -0.1231 8.3814 8.3814 10.0907 10.0907 10.1378 10.1378 14.1826 14.1826 16.6620 16.6620 18.3760 18.3760 20.3070 20.3070 20.3779 20.3779 k = 0.2612-0.1508 0.2133 ( 1010 PWs) bands (ev): -40.2074 -40.2074 -17.8023 -17.8023 -15.7873 -15.7873 -15.6382 -15.6382 -0.0949 -0.0949 8.3639 8.3639 10.1405 10.1405 10.1893 10.1893 14.1271 14.1271 16.6957 16.6957 18.4428 18.4428 20.2409 20.2409 20.3118 20.3118 k = 0.2687-0.1551 0.2194 ( 1018 PWs) bands (ev): -40.2059 -40.2059 -17.8089 -17.8089 -15.7980 -15.7980 -15.6430 -15.6430 -0.0672 -0.0672 8.3476 8.3476 10.1910 10.1910 10.2415 10.2415 14.0743 14.0743 16.7294 16.7294 18.4960 18.4960 20.1722 20.1722 20.2430 20.2430 k = 0.2761-0.1594 0.2255 ( 1018 PWs) bands (ev): -40.2042 -40.2042 -17.8154 -17.8154 -15.8085 -15.8085 -15.6478 -15.6478 -0.0400 -0.0400 8.3324 8.3324 10.2421 10.2421 10.2943 10.2943 14.0243 14.0243 16.7634 16.7634 18.5344 18.5344 20.1013 20.1013 20.1720 20.1720 k = 0.2836-0.1637 0.2315 ( 1018 PWs) bands (ev): -40.2025 -40.2025 -17.8219 -17.8219 -15.8189 -15.8189 -15.6525 -15.6525 -0.0133 -0.0133 8.3184 8.3184 10.2937 10.2937 10.3477 10.3477 13.9773 13.9773 16.7973 16.7973 18.5576 18.5576 20.0283 20.0283 20.0988 20.0988 k = 0.2910-0.1680 0.2376 ( 1018 PWs) bands (ev): -40.2008 -40.2008 -17.8283 -17.8283 -15.8291 -15.8291 -15.6572 -15.6572 0.0127 0.0127 8.3055 8.3055 10.3457 10.3457 10.4015 10.4015 13.9334 13.9334 16.8312 16.8312 18.5656 18.5656 19.9534 19.9534 20.0238 20.0238 k = 0.2985-0.1723 0.2437 ( 1018 PWs) bands (ev): -40.1992 -40.1992 -17.8347 -17.8347 -15.8391 -15.8391 -15.6618 -15.6618 0.0380 0.0380 8.2937 8.2937 10.3981 10.3981 10.4555 10.4555 13.8927 13.8927 16.8650 16.8650 18.5590 18.5590 19.8770 19.8770 19.9471 19.9471 k = 0.3060-0.1767 0.2498 ( 1018 PWs) bands (ev): -40.1976 -40.1976 -17.8409 -17.8409 -15.8490 -15.8490 -15.6663 -15.6663 0.0626 0.0626 8.2829 8.2829 10.4506 10.4506 10.5098 10.5098 13.8553 13.8553 16.8985 16.8985 18.5391 18.5391 19.7993 19.7993 19.8692 19.8692 k = 0.3134-0.1810 0.2559 ( 1018 PWs) bands (ev): -40.1960 -40.1960 -17.8471 -17.8471 -15.8586 -15.8586 -15.6708 -15.6708 0.0864 0.0864 8.2731 8.2731 10.5033 10.5033 10.5641 10.5641 13.8212 13.8212 16.9318 16.9318 18.5071 18.5071 19.7207 19.7207 19.7902 19.7902 k = 0.3209-0.1853 0.2620 ( 1018 PWs) bands (ev): -40.1944 -40.1944 -17.8531 -17.8531 -15.8680 -15.8680 -15.6752 -15.6752 0.1095 0.1095 8.2641 8.2641 10.5559 10.5559 10.6184 10.6184 13.7906 13.7906 16.9646 16.9646 18.4647 18.4647 19.6415 19.6415 19.7105 19.7105 k = 0.3284-0.1896 0.2681 ( 1018 PWs) bands (ev): -40.1928 -40.1928 -17.8590 -17.8590 -15.8772 -15.8772 -15.6794 -15.6794 0.1317 0.1317 8.2561 8.2561 10.6083 10.6083 10.6725 10.6725 13.7635 13.7635 16.9970 16.9970 18.4133 18.4133 19.5620 19.5620 19.6305 19.6305 k = 0.3358-0.1939 0.2742 ( 1018 PWs) bands (ev): -40.1913 -40.1913 -17.8647 -17.8647 -15.8860 -15.8860 -15.6836 -15.6836 0.1530 0.1530 8.2488 8.2488 10.6604 10.6604 10.7263 10.7263 13.7398 13.7398 17.0289 17.0289 18.3545 18.3545 19.4825 19.4825 19.5504 19.5504 k = 0.3433-0.1982 0.2803 ( 1026 PWs) bands (ev): -40.1901 -40.1901 -17.8703 -17.8703 -15.8947 -15.8947 -15.6877 -15.6877 0.1734 0.1734 8.2422 8.2422 10.7120 10.7120 10.7795 10.7795 13.7195 13.7195 17.0601 17.0601 18.2896 18.2896 19.4033 19.4033 19.4705 19.4705 k = 0.3507-0.2025 0.2864 ( 1026 PWs) bands (ev): -40.1887 -40.1887 -17.8757 -17.8757 -15.9030 -15.9030 -15.6916 -15.6916 0.1930 0.1930 8.2363 8.2363 10.7631 10.7631 10.8321 10.8321 13.7026 13.7026 17.0906 17.0906 18.2199 18.2199 19.3250 19.3250 19.3913 19.3913 k = 0.3582-0.2068 0.2925 ( 1026 PWs) bands (ev): -40.1874 -40.1874 -17.8810 -17.8810 -15.9110 -15.9110 -15.6954 -15.6954 0.2116 0.2116 8.2311 8.2311 10.8133 10.8133 10.8839 10.8839 13.6891 13.6891 17.1202 17.1202 18.1464 18.1464 19.2477 19.2477 19.3130 19.3130 k = 0.3657-0.2111 0.2986 ( 1026 PWs) bands (ev): -40.1860 -40.1860 -17.8860 -17.8860 -15.9186 -15.9186 -15.6990 -15.6990 0.2292 0.2292 8.2263 8.2263 10.8627 10.8627 10.9348 10.9348 13.6788 13.6788 17.1490 17.1490 18.0704 18.0704 19.1717 19.1717 19.2361 19.2361 k = 0.3731-0.2154 0.3047 ( 1026 PWs) bands (ev): -40.1848 -40.1848 -17.8908 -17.8908 -15.9259 -15.9259 -15.7025 -15.7025 0.2459 0.2459 8.2221 8.2221 10.9109 10.9109 10.9844 10.9844 13.6715 13.6715 17.1768 17.1768 17.9926 17.9926 19.0976 19.0976 19.1607 19.1607 k = 0.3806-0.2197 0.3108 ( 1026 PWs) bands (ev): -40.1836 -40.1836 -17.8954 -17.8954 -15.9329 -15.9329 -15.7058 -15.7058 0.2617 0.2617 8.2184 8.2184 10.9578 10.9578 11.0327 11.0327 13.6672 13.6672 17.2035 17.2035 17.9141 17.9141 19.0255 19.0255 19.0873 19.0873 k = 0.3881-0.2240 0.3168 ( 1026 PWs) bands (ev): -40.1824 -40.1824 -17.8998 -17.8998 -15.9395 -15.9395 -15.7090 -15.7090 0.2764 0.2764 8.2150 8.2150 11.0032 11.0032 11.0795 11.0795 13.6657 13.6657 17.2290 17.2290 17.8355 17.8355 18.9558 18.9558 19.0161 19.0161 k = 0.3955-0.2284 0.3229 ( 1018 PWs) bands (ev): -40.1811 -40.1811 -17.9040 -17.9040 -15.9457 -15.9457 -15.7120 -15.7120 0.2903 0.2903 8.2121 8.2121 11.0470 11.0470 11.1246 11.1246 13.6666 13.6666 17.2533 17.2533 17.7577 17.7577 18.8889 18.8889 18.9477 18.9477 k = 0.4030-0.2327 0.3290 ( 1014 PWs) bands (ev): -40.1799 -40.1799 -17.9078 -17.9078 -15.9515 -15.9515 -15.7148 -15.7148 0.3031 0.3031 8.2094 8.2094 11.0888 11.0888 11.1676 11.1676 13.6698 13.6698 17.2763 17.2763 17.6813 17.6813 18.8250 18.8250 18.8822 18.8822 k = 0.4104-0.2370 0.3351 ( 1014 PWs) bands (ev): -40.1790 -40.1790 -17.9115 -17.9115 -15.9570 -15.9570 -15.7174 -15.7174 0.3149 0.3149 8.2071 8.2071 11.1286 11.1286 11.2086 11.2086 13.6750 13.6750 17.2979 17.2979 17.6072 17.6072 18.7644 18.7644 18.8199 18.8199 k = 0.4179-0.2413 0.3412 ( 1006 PWs) bands (ev): -40.1778 -40.1778 -17.9148 -17.9148 -15.9620 -15.9620 -15.7198 -15.7198 0.3258 0.3258 8.2050 8.2050 11.1662 11.1662 11.2472 11.2472 13.6817 13.6817 17.3179 17.3179 17.5360 17.5360 18.7076 18.7076 18.7612 18.7612 k = 0.4254-0.2456 0.3473 ( 1006 PWs) bands (ev): -40.1770 -40.1770 -17.9180 -17.9180 -15.9666 -15.9666 -15.7221 -15.7221 0.3358 0.3358 8.2032 8.2032 11.2012 11.2012 11.2833 11.2833 13.6898 13.6898 17.3361 17.3361 17.4685 17.4685 18.6546 18.6546 18.7064 18.7064 k = 0.4328-0.2499 0.3534 ( 1006 PWs) bands (ev): -40.1763 -40.1763 -17.9208 -17.9208 -15.9708 -15.9708 -15.7241 -15.7241 0.3447 0.3447 8.2016 8.2016 11.2336 11.2336 11.3166 11.3166 13.6987 13.6987 17.3513 17.3513 17.4064 17.4064 18.6058 18.6058 18.6557 18.6557 k = 0.4403-0.2542 0.3595 ( 1006 PWs) bands (ev): -40.1756 -40.1756 -17.9234 -17.9234 -15.9746 -15.9746 -15.7260 -15.7260 0.3527 0.3527 8.2002 8.2002 11.2632 11.2632 11.3470 11.3470 13.7082 13.7082 17.3392 17.3392 17.3749 17.3749 18.5614 18.5614 18.6095 18.6095 k = 0.4478-0.2585 0.3656 ( 1006 PWs) bands (ev): -40.1750 -40.1750 -17.9256 -17.9256 -15.9780 -15.9780 -15.7276 -15.7276 0.3598 0.3598 8.1989 8.1989 11.2898 11.2898 11.3743 11.3743 13.7178 13.7178 17.2888 17.2888 17.3852 17.3852 18.5218 18.5218 18.5681 18.5681 k = 0.4552-0.2628 0.3717 ( 1010 PWs) bands (ev): -40.1746 -40.1746 -17.9276 -17.9276 -15.9809 -15.9809 -15.7290 -15.7290 0.3659 0.3659 8.1979 8.1979 11.3131 11.3131 11.3984 11.3984 13.7271 13.7271 17.2415 17.2415 17.3966 17.3966 18.4870 18.4870 18.5316 18.5316 k = 0.4627-0.2671 0.3778 ( 1010 PWs) bands (ev): -40.1742 -40.1742 -17.9293 -17.9293 -15.9834 -15.9834 -15.7303 -15.7303 0.3710 0.3710 8.1970 8.1970 11.3332 11.3332 11.4190 11.4190 13.7357 13.7357 17.2002 17.2002 17.4065 17.4065 18.4572 18.4572 18.5003 18.5003 k = 0.4701-0.2714 0.3839 ( 1010 PWs) bands (ev): -40.1738 -40.1738 -17.9307 -17.9307 -15.9854 -15.9854 -15.7313 -15.7313 0.3752 0.3752 8.1963 8.1963 11.3498 11.3498 11.4360 11.4360 13.7433 13.7433 17.1656 17.1656 17.4148 17.4148 18.4327 18.4327 18.4744 18.4744 k = 0.4776-0.2757 0.3900 ( 1014 PWs) bands (ev): -40.1736 -40.1736 -17.9318 -17.9318 -15.9870 -15.9870 -15.7320 -15.7320 0.3785 0.3785 8.1957 8.1957 11.3628 11.3628 11.4494 11.4494 13.7496 13.7496 17.1382 17.1382 17.4213 17.4213 18.4135 18.4135 18.4540 18.4540 k = 0.4851-0.2801 0.3961 ( 1014 PWs) bands (ev): -40.1734 -40.1734 -17.9326 -17.9326 -15.9882 -15.9882 -15.7326 -15.7326 0.3808 0.3808 8.1954 8.1954 11.3722 11.3722 11.4590 11.4590 13.7543 13.7543 17.1184 17.1184 17.4260 17.4260 18.3997 18.3997 18.4394 18.4394 k = 0.4925-0.2844 0.4022 ( 1014 PWs) bands (ev): -40.1733 -40.1733 -17.9330 -17.9330 -15.9888 -15.9888 -15.7329 -15.7329 0.3822 0.3822 8.1951 8.1951 11.3779 11.3779 11.4649 11.4649 13.7572 13.7572 17.1064 17.1064 17.4288 17.4288 18.3914 18.3914 18.4306 18.4306 k = 0.5000-0.2887 0.4082 ( 998 PWs) bands (ev): -40.1728 -40.1728 -17.9331 -17.9331 -15.9890 -15.9890 -15.7330 -15.7330 0.3827 0.3827 8.1951 8.1951 11.3798 11.3798 11.4668 11.4668 13.7582 13.7582 17.1025 17.1025 17.4298 17.4298 18.3887 18.3887 18.4277 18.4277 k = 0.5000-0.2887 0.4082 ( 998 PWs) bands (ev): -40.1728 -40.1728 -17.9331 -17.9331 -15.9890 -15.9890 -15.7330 -15.7330 0.3827 0.3827 8.1951 8.1951 11.3798 11.3798 11.4668 11.4668 13.7582 13.7582 17.1025 17.1025 17.4298 17.4298 18.3887 18.3887 18.4277 18.4277 k = 0.5000-0.2802 0.4143 ( 1012 PWs) bands (ev): -40.1732 -40.1732 -17.9352 -17.9312 -15.9918 -15.9862 -15.7331 -15.7331 0.3799 0.3856 8.1963 8.1966 11.3779 11.3801 11.4658 11.4662 13.7554 13.7601 17.0888 17.1041 17.4216 17.4318 18.3858 18.3988 18.4285 18.4408 k = 0.5000-0.2717 0.4203 ( 1016 PWs) bands (ev): -40.1733 -40.1733 -17.9371 -17.9291 -15.9944 -15.9833 -15.7334 -15.7334 0.3772 0.3887 8.2003 8.2010 11.3747 11.3789 11.4636 11.4642 13.7518 13.7612 17.0629 17.0938 17.4097 17.4273 18.3938 18.4071 18.4401 18.4752 k = 0.5000-0.2632 0.4263 ( 1016 PWs) bands (ev): -40.1733 -40.1733 -17.9390 -17.9271 -15.9969 -15.9802 -15.7339 -15.7339 0.3746 0.3918 8.2071 8.2082 11.3700 11.3757 11.4602 11.4607 13.7474 13.7614 17.0249 17.0717 17.3970 17.4180 18.4064 18.4137 18.4671 18.5274 k = 0.5000-0.2547 0.4323 ( 1016 PWs) bands (ev): -40.1733 -40.1733 -17.9409 -17.9250 -15.9993 -15.9770 -15.7346 -15.7345 0.3721 0.3951 8.2167 8.2182 11.3635 11.3703 11.4560 11.4563 13.7422 13.7608 16.9758 17.0378 17.3856 17.4068 18.4184 18.4210 18.5118 18.5920 k = 0.5000-0.2462 0.4383 ( 1016 PWs) bands (ev): -40.1733 -40.1733 -17.9427 -17.9229 -16.0015 -15.9737 -15.7356 -15.7353 0.3698 0.3984 8.2291 8.2309 11.3549 11.3619 11.4505 11.4523 13.7362 13.7594 16.9175 16.9929 17.3765 17.3959 18.4296 18.4300 18.5705 18.6653 k = 0.5000-0.2377 0.4443 ( 1012 PWs) bands (ev): -40.1732 -40.1732 -17.9445 -17.9207 -16.0036 -15.9703 -15.7367 -15.7363 0.3677 0.4018 8.2442 8.2464 11.3438 11.3504 11.4446 11.4487 13.7295 13.7572 16.8521 16.9387 17.3699 17.3869 18.4399 18.4425 18.6389 18.7446 k = 0.5000-0.2292 0.4503 ( 1012 PWs) bands (ev): -40.1732 -40.1732 -17.9462 -17.9186 -16.0056 -15.9668 -15.7380 -15.7374 0.3656 0.4053 8.2620 8.2645 11.3299 11.3353 11.4387 11.4457 13.7222 13.7543 16.7817 16.8772 17.3653 17.3801 18.4518 18.4561 18.7142 18.8281 k = 0.5000-0.2208 0.4563 ( 1012 PWs) bands (ev): -40.1732 -40.1732 -17.9478 -17.9165 -16.0076 -15.9631 -15.7395 -15.7387 0.3637 0.4088 8.2825 8.2853 11.3128 11.3167 11.4331 11.4433 13.7142 13.7508 16.7082 16.8105 17.3623 17.3753 18.4651 18.4711 18.7940 18.9143 k = 0.5000-0.2123 0.4623 ( 1010 PWs) bands (ev): -40.1731 -40.1731 -17.9494 -17.9144 -16.0093 -15.9594 -15.7413 -15.7401 0.3619 0.4124 8.3055 8.3088 11.2924 11.2946 11.4279 11.4416 13.7058 13.7466 16.6329 16.7405 17.3607 17.3722 18.4799 18.4874 18.8767 19.0022 k = 0.5000-0.2038 0.4683 ( 1010 PWs) bands (ev): -40.1731 -40.1731 -17.9510 -17.9123 -16.0110 -15.9556 -15.7433 -15.7416 0.3603 0.4159 8.3311 8.3347 11.2688 11.2692 11.4232 11.4403 13.6969 13.7418 16.5570 16.6685 17.3601 17.3705 18.4959 18.5049 18.9610 19.0907 k = 0.5000-0.1953 0.4743 ( 1012 PWs) bands (ev): -40.1732 -40.1732 -17.9525 -17.9102 -16.0126 -15.9516 -15.7454 -15.7432 0.3588 0.4195 8.3592 8.3632 11.2408 11.2419 11.4190 11.4394 13.6875 13.7366 16.4813 16.5959 17.3602 17.3697 18.5131 18.5235 19.0460 19.1792 k = 0.5000-0.1868 0.4803 ( 1012 PWs) bands (ev): -40.1732 -40.1732 -17.9539 -17.9082 -16.0140 -15.9476 -15.7478 -15.7449 0.3574 0.4231 8.3897 8.3941 11.2093 11.2119 11.4152 11.4388 13.6779 13.7309 16.4065 16.5234 17.3609 17.3698 18.5313 18.5432 19.1309 19.2670 k = 0.5000-0.1783 0.4863 ( 1012 PWs) bands (ev): -40.1732 -40.1732 -17.9552 -17.9061 -16.0154 -15.9434 -15.7504 -15.7466 0.3561 0.4267 8.4226 8.4273 11.1751 11.1790 11.4117 11.4383 13.6681 13.7249 16.3332 16.4519 17.3622 17.3706 18.5504 18.5636 19.2151 19.3537 k = 0.5000-0.1698 0.4923 ( 1016 PWs) bands (ev): -40.1733 -40.1733 -17.9566 -17.9042 -16.0166 -15.9392 -15.7531 -15.7485 0.3549 0.4302 8.4576 8.4628 11.1383 11.1433 11.4085 11.4380 13.6580 13.7186 16.2618 16.3819 17.3638 17.3718 18.5700 18.5848 19.2980 19.4388 k = 0.5000-0.1613 0.4983 ( 1012 PWs) bands (ev): -40.1732 -40.1732 -17.9578 -17.9022 -16.0178 -15.9349 -15.7561 -15.7503 0.3539 0.4337 8.4948 8.5003 11.0989 11.1049 11.4056 11.4377 13.6480 13.7121 16.1928 16.3139 17.3659 17.3735 18.5902 18.6064 19.3791 19.5220 k = 0.5000-0.1528 0.5043 ( 1012 PWs) bands (ev): -40.1732 -40.1732 -17.9590 -17.9003 -16.0188 -15.9305 -15.7592 -15.7522 0.3529 0.4372 8.5340 8.5399 11.0573 11.0642 11.4029 11.4375 13.6379 13.7055 16.1263 16.2482 17.3680 17.3754 18.6107 18.6284 19.4581 19.6027 k = 0.5000-0.1443 0.5103 ( 1012 PWs) bands (ev): -40.1732 -40.1732 -17.9601 -17.8985 -16.0198 -15.9260 -15.7625 -15.7541 0.3521 0.4405 8.5750 8.5813 11.0135 11.0211 11.4004 11.4374 13.6279 13.6988 16.0627 16.1852 17.3704 17.3776 18.6314 18.6505 19.5347 19.6808 k = 0.5000-0.1358 0.5163 ( 1020 PWs) bands (ev): -40.1734 -40.1734 -17.9611 -17.8968 -16.0206 -15.9215 -15.7660 -15.7561 0.3514 0.4438 8.6177 8.6245 10.9678 10.9760 11.3979 11.4372 13.6180 13.6921 16.0021 16.1250 17.3729 17.3798 18.6519 18.6724 19.6083 19.7559 k = 0.5000-0.1274 0.5223 ( 1016 PWs) bands (ev): -40.1733 -40.1733 -17.9621 -17.8951 -16.0214 -15.9168 -15.7696 -15.7580 0.3507 0.4470 8.6620 8.6691 10.9203 10.9291 11.3957 11.4371 13.6084 13.6855 15.9448 16.0679 17.3754 17.3822 18.6723 18.6943 19.6789 19.8278 k = 0.5000-0.1189 0.5283 ( 1016 PWs) bands (ev): -40.1733 -40.1733 -17.9630 -17.8935 -16.0221 -15.9121 -15.7734 -15.7599 0.3501 0.4500 8.7075 8.7151 10.8715 10.8806 11.3936 11.4369 13.5991 13.6790 15.8909 16.0141 17.3780 17.3847 18.6923 18.7157 19.7461 19.8962 k = 0.5000-0.1104 0.5343 ( 1016 PWs) bands (ev): -40.1733 -40.1733 -17.9638 -17.8919 -16.0227 -15.9073 -15.7773 -15.7617 0.3496 0.4529 8.7541 8.7621 10.8214 10.8309 11.3916 11.4367 13.5901 13.6727 15.8404 15.9637 17.3806 17.3872 18.7118 18.7365 19.8096 19.9609 k = 0.5000-0.1019 0.5403 ( 1016 PWs) bands (ev): -40.1733 -40.1733 -17.9646 -17.8905 -16.0233 -15.9025 -15.7813 -15.7634 0.3492 0.4556 8.8015 8.8099 10.7706 10.7802 11.3897 11.4366 13.5816 13.6666 15.7936 15.9168 17.3831 17.3896 18.7305 18.7566 19.8694 20.0217 k = 0.5000-0.0934 0.5463 ( 1016 PWs) bands (ev): -40.1733 -40.1733 -17.9653 -17.8891 -16.0237 -15.8977 -15.7855 -15.7651 0.3488 0.4582 8.8493 8.8582 10.7193 10.7291 11.3880 11.4364 13.5735 13.6609 15.7503 15.8735 17.3855 17.3919 18.7484 18.7757 19.9251 20.0783 k = 0.5000-0.0849 0.5523 ( 1016 PWs) bands (ev): -40.1733 -40.1733 -17.9660 -17.8879 -16.0242 -15.8928 -15.7898 -15.7667 0.3485 0.4606 8.8971 8.9064 10.6680 10.6779 11.3864 11.4362 13.5660 13.6554 15.7108 15.8339 17.3879 17.3942 18.7652 18.7937 19.9765 20.1307 k = 0.5000-0.0764 0.5583 ( 1020 PWs) bands (ev): -40.1734 -40.1734 -17.9666 -17.8868 -16.0245 -15.8879 -15.7942 -15.7682 0.3482 0.4628 8.9444 8.9542 10.6174 10.6272 11.3849 11.4360 13.5591 13.6504 15.6749 15.7979 17.3900 17.3962 18.7809 18.8104 20.0236 20.1785 k = 0.5000-0.0679 0.5643 ( 1020 PWs) bands (ev): -40.1734 -40.1734 -17.9671 -17.8857 -16.0248 -15.8829 -15.7986 -15.7696 0.3480 0.4648 8.9907 9.0010 10.5679 10.5776 11.3835 11.4359 13.5527 13.6458 15.6429 15.7657 17.3920 17.3982 18.7953 18.8258 20.0662 20.2217 k = 0.5000-0.0594 0.5703 ( 1020 PWs) bands (ev): -40.1734 -40.1734 -17.9676 -17.8848 -16.0251 -15.8780 -15.8031 -15.7708 0.3478 0.4666 9.0354 9.0461 10.5203 10.5299 11.3823 11.4357 13.5470 13.6417 15.6145 15.7372 17.3939 17.4000 18.8082 18.8397 20.1040 20.2602 k = 0.5000-0.0509 0.5764 ( 1028 PWs) bands (ev): -40.1737 -40.1737 -17.9680 -17.8840 -16.0253 -15.8732 -15.8076 -15.7720 0.3477 0.4682 9.0774 9.0887 10.4756 10.4850 11.3813 11.4356 13.5420 13.6380 15.5900 15.7125 17.3955 17.4016 18.8197 18.8519 20.1370 20.2937 k = 0.5000-0.0425 0.5824 ( 1028 PWs) bands (ev): -40.1737 -40.1737 -17.9684 -17.8833 -16.0255 -15.8684 -15.8121 -15.7729 0.3476 0.4695 9.1160 9.1277 10.4346 10.4438 11.3804 11.4354 13.5378 13.6349 15.5692 15.6916 17.3969 17.4029 18.8295 18.8625 20.1651 20.3223 k = 0.5000-0.0340 0.5884 ( 1026 PWs) bands (ev): -40.1736 -40.1736 -17.9686 -17.8827 -16.0256 -15.8638 -15.8165 -15.7737 0.3475 0.4707 9.1500 9.1621 10.3987 10.4076 11.3797 11.4353 13.5343 13.6323 15.5522 15.6745 17.3982 17.4041 18.8377 18.8713 20.1883 20.3458 k = 0.5000-0.0255 0.5944 ( 1030 PWs) bands (ev): -40.1737 -40.1737 -17.9689 -17.8823 -16.0257 -15.8594 -15.8207 -15.7743 0.3474 0.4715 9.1782 9.1907 10.3689 10.3776 11.3791 11.4352 13.5315 13.6302 15.5390 15.6612 17.3991 17.4050 18.8441 18.8781 20.2063 20.3642 k = 0.5000-0.0170 0.6004 ( 1036 PWs) bands (ev): -40.1739 -40.1739 -17.9690 -17.8820 -16.0258 -15.8556 -15.8244 -15.7748 0.3473 0.4722 9.1995 9.2123 10.3464 10.3550 11.3786 11.4351 13.5295 13.6288 15.5296 15.6517 17.3997 17.4056 18.8487 18.8830 20.2193 20.3773 k = 0.5000-0.0085 0.6064 ( 1036 PWs) bands (ev): -40.1739 -40.1739 -17.9691 -17.8818 -16.0258 -15.8527 -15.8272 -15.7751 0.3473 0.4725 9.2128 9.2257 10.3325 10.3409 11.3784 11.4351 13.5283 13.6279 15.5240 15.6460 17.4001 17.4060 18.8515 18.8860 20.2271 20.3852 k = 0.5000-0.0000 0.6124 ( 1036 PWs) bands (ev): -40.1739 -40.1739 -17.9692 -17.8817 -16.0259 -15.8516 -15.8282 -15.7752 0.3473 0.4727 9.2173 9.2303 10.3277 10.3361 11.3783 11.4351 13.5279 13.6276 15.5221 15.6441 17.4003 17.4062 18.8524 18.8870 20.2297 20.3879 k = 0.5000-0.0000 0.6124 ( 1036 PWs) bands (ev): -40.1739 -40.1739 -17.9692 -17.8817 -16.0259 -15.8516 -15.8282 -15.7752 0.3473 0.4727 9.2173 9.2303 10.3277 10.3361 11.3783 11.4351 13.5279 13.6276 15.5221 15.6441 17.4003 17.4062 18.8524 18.8870 20.2297 20.3879 k = 0.4948 0.0090 0.6124 ( 1036 PWs) bands (ev): -40.1739 -40.1739 -17.9691 -17.8818 -16.0258 -15.8522 -15.8276 -15.7750 0.3472 0.4724 9.2153 9.2283 10.3293 10.3377 11.3780 11.4349 13.5284 13.6277 15.5240 15.6459 17.3986 17.4060 18.8531 18.8885 20.2280 20.3861 k = 0.4896 0.0180 0.6124 ( 1036 PWs) bands (ev): -40.1739 -40.1739 -17.9690 -17.8818 -16.0258 -15.8538 -15.8259 -15.7746 0.3468 0.4718 9.2093 9.2224 10.3340 10.3426 11.3773 11.4345 13.5297 13.6279 15.5300 15.6515 17.3938 17.4048 18.8553 18.8932 20.2228 20.3807 k = 0.4844 0.0271 0.6124 ( 1031 PWs) bands (ev): -40.1738 -40.1738 -17.9687 -17.8818 -16.0258 -15.8560 -15.8235 -15.7738 0.3462 0.4709 9.1995 9.2127 10.3420 10.3510 11.3760 11.4338 13.5313 13.6275 15.5405 15.6612 17.3864 17.4019 18.8592 18.9010 20.2140 20.3716 k = 0.4792 0.0361 0.6124 ( 1027 PWs) bands (ev): -40.1738 -40.1738 -17.9684 -17.8819 -16.0257 -15.8585 -15.8206 -15.7728 0.3455 0.4695 9.1863 9.1995 10.3534 10.3630 11.3741 11.4326 13.5327 13.6263 15.5556 15.6753 17.3761 17.3967 18.8651 18.9119 20.2016 20.3586 k = 0.4740 0.0451 0.6124 ( 1028 PWs) bands (ev): -40.1739 -40.1739 -17.9681 -17.8819 -16.0257 -15.8611 -15.8176 -15.7715 0.3445 0.4679 9.1700 9.1832 10.3680 10.3787 11.3713 11.4309 13.5337 13.6239 15.5755 15.6938 17.3631 17.3889 18.8733 18.9256 20.1854 20.3419 k = 0.4688 0.0541 0.6124 ( 1030 PWs) bands (ev): -40.1740 -40.1740 -17.9677 -17.8821 -16.0258 -15.8638 -15.8145 -15.7700 0.3435 0.4660 9.1511 9.1643 10.3857 10.3978 11.3677 11.4284 13.5340 13.6202 15.6001 15.7169 17.3473 17.3784 18.8837 18.9421 20.1656 20.3213 k = 0.4635 0.0631 0.6124 ( 1024 PWs) bands (ev): -40.1739 -40.1739 -17.9672 -17.8822 -16.0258 -15.8665 -15.8113 -15.7683 0.3423 0.4639 9.1301 9.1432 10.4064 10.4201 11.3630 11.4249 13.5335 13.6152 15.6295 15.7445 17.3287 17.3650 18.8966 18.9612 20.1422 20.2971 k = 0.4583 0.0722 0.6124 ( 1024 PWs) bands (ev): -40.1740 -40.1740 -17.9667 -17.8823 -16.0259 -15.8691 -15.8082 -15.7665 0.3410 0.4616 9.1075 9.1204 10.4297 10.4454 11.3570 11.4203 13.5321 13.6089 15.6633 15.7764 17.3074 17.3487 18.9119 18.9827 20.1153 20.2694 k = 0.4531 0.0812 0.6124 ( 1024 PWs) bands (ev): -40.1741 -40.1741 -17.9662 -17.8825 -16.0260 -15.8716 -15.8051 -15.7646 0.3396 0.4592 9.0839 9.0965 10.4555 10.4733 11.3497 11.4144 13.5299 13.6014 15.7015 15.8126 17.2834 17.3294 18.9296 19.0065 20.0852 20.2383 k = 0.4479 0.0902 0.6124 ( 1014 PWs) bands (ev): -40.1739 -40.1739 -17.9656 -17.8826 -16.0262 -15.8740 -15.8020 -15.7625 0.3382 0.4566 9.0597 9.0721 10.4835 10.5035 11.3409 11.4070 13.5268 13.5929 15.7436 15.8527 17.2568 17.3072 18.9497 19.0325 20.0521 20.2041 k = 0.4427 0.0992 0.6124 ( 1014 PWs) bands (ev): -40.1740 -40.1740 -17.9650 -17.8828 -16.0264 -15.8763 -15.7991 -15.7605 0.3368 0.4540 9.0354 9.0474 10.5133 10.5357 11.3303 11.3980 13.5230 13.5836 15.7893 15.8963 17.2278 17.2822 18.9720 19.0604 20.0161 20.1671 k = 0.4375 0.1083 0.6124 ( 1012 PWs) bands (ev): -40.1740 -40.1740 -17.9645 -17.8831 -16.0266 -15.8785 -15.7963 -15.7585 0.3354 0.4514 9.0114 9.0231 10.5448 10.5695 11.3181 11.3871 13.5187 13.5738 15.8380 15.9431 17.1964 17.2544 18.9964 19.0902 19.9776 20.1275 k = 0.4323 0.1173 0.6124 ( 1012 PWs) bands (ev): -40.1741 -40.1741 -17.9639 -17.8833 -16.0268 -15.8805 -15.7936 -15.7565 0.3340 0.4488 8.9881 8.9995 10.5777 10.6046 11.3040 11.3744 13.5140 13.5638 15.8893 15.9926 17.1628 17.2239 19.0228 19.1217 19.9369 20.0857 k = 0.4271 0.1263 0.6124 ( 1010 PWs) bands (ev): -40.1741 -40.1741 -17.9634 -17.8835 -16.0270 -15.8823 -15.7910 -15.7545 0.3327 0.4462 8.9658 8.9769 10.6116 10.6407 11.2881 11.3597 13.5091 13.5539 15.9428 16.0443 17.1272 17.1910 19.0512 19.1549 19.8943 20.0419 k = 0.4219 0.1353 0.6124 ( 1010 PWs) bands (ev): -40.1742 -40.1742 -17.9629 -17.8837 -16.0273 -15.8840 -15.7886 -15.7527 0.3315 0.4438 8.9449 8.9556 10.6464 10.6775 11.2704 11.3432 13.5041 13.5441 15.9978 16.0976 17.0899 17.1556 19.0815 19.1896 19.8502 19.9965 k = 0.4167 0.1443 0.6124 ( 1016 PWs) bands (ev): -40.1745 -40.1745 -17.9624 -17.8839 -16.0276 -15.8855 -15.7864 -15.7511 0.3303 0.4415 8.9255 8.9360 10.6817 10.7145 11.2510 11.3248 13.4993 13.5349 16.0537 16.1520 17.0511 17.1182 19.1134 19.2257 19.8049 19.9498 k = 0.4115 0.1534 0.6124 ( 1010 PWs) bands (ev): -40.1744 -40.1744 -17.9620 -17.8841 -16.0278 -15.8869 -15.7844 -15.7495 0.3292 0.4393 8.9080 8.9181 10.7171 10.7513 11.2300 11.3047 13.4947 13.5264 16.1099 16.2066 17.0114 17.0790 19.1470 19.2632 19.7589 19.9023 k = 0.4062 0.1624 0.6124 ( 1010 PWs) bands (ev): -40.1745 -40.1745 -17.9616 -17.8843 -16.0280 -15.8881 -15.7826 -15.7481 0.3283 0.4374 8.8924 8.9023 10.7524 10.7873 11.2078 11.2832 13.4904 13.5188 16.1656 16.2607 16.9712 17.0384 19.1822 19.3019 19.7124 19.8541 k = 0.4010 0.1714 0.6124 ( 1012 PWs) bands (ev): -40.1746 -40.1746 -17.9612 -17.8845 -16.0282 -15.8891 -15.7811 -15.7470 0.3274 0.4357 8.8790 8.8886 10.7871 10.8219 11.1848 11.2608 13.4867 13.5121 16.2199 16.3131 16.9315 16.9970 19.2188 19.3417 19.6658 19.8055 k = 0.3958 0.1804 0.6124 ( 1012 PWs) bands (ev): -40.1746 -40.1746 -17.9609 -17.8846 -16.0284 -15.8899 -15.7798 -15.7460 0.3267 0.4343 8.8679 8.8773 10.8206 10.8540 11.1617 11.2382 13.4835 13.5065 16.2715 16.3623 16.8938 16.9556 19.2567 19.3825 19.6199 19.7570 k = 0.3906 0.1894 0.6124 ( 1014 PWs) bands (ev): -40.1747 -40.1747 -17.9607 -17.8847 -16.0285 -15.8905 -15.7788 -15.7452 0.3262 0.4332 8.8591 8.8684 10.8518 10.8820 11.1397 11.2165 13.4809 13.5021 16.3184 16.4059 16.8604 16.9158 19.2956 19.4234 19.5756 19.7087 k = 0.3854 0.1985 0.6124 ( 1014 PWs) bands (ev): -40.1748 -40.1748 -17.9605 -17.8848 -16.0286 -15.8910 -15.7780 -15.7447 0.3258 0.4324 8.8528 8.8619 10.8796 10.9035 11.1207 11.1975 13.4790 13.4989 16.3578 16.4410 16.8346 16.8797 19.3349 19.4608 19.5372 19.6611 k = 0.3802 0.2075 0.6124 ( 1012 PWs) bands (ev): -40.1747 -40.1747 -17.9604 -17.8848 -16.0287 -15.8913 -15.7776 -15.7443 0.3256 0.4319 8.8490 8.8581 10.9014 10.9153 11.1073 11.1840 13.4779 13.4970 16.3853 16.4638 16.8202 16.8517 19.3722 19.4688 19.5327 19.6146 k = 0.3750 0.2165 0.6124 ( 1011 PWs) bands (ev): -40.1747 -40.1747 -17.9604 -17.8849 -16.0287 -15.8914 -15.7774 -15.7442 0.3255 0.4317 8.8477 8.8568 10.9129 10.9158 11.1025 11.1790 13.4775 13.4964 16.3953 16.4716 16.8169 16.8396 19.3938 19.4530 19.5653 19.5742 k = 0.3750 0.2165 0.6124 ( 1011 PWs) bands (ev): -40.1747 -40.1747 -17.9604 -17.8849 -16.0287 -15.8914 -15.7774 -15.7442 0.3255 0.4317 8.8477 8.8568 10.9129 10.9158 11.1025 11.1790 13.4775 13.4964 16.3953 16.4716 16.8169 16.8396 19.3938 19.4530 19.5653 19.5742 k = 0.3697 0.2135 0.6037 ( 1011 PWs) bands (ev): -40.1749 -40.1749 -17.9601 -17.8831 -16.0289 -15.8869 -15.7789 -15.7430 0.3214 0.4296 8.8907 8.9004 10.8774 10.8805 11.0615 11.1393 13.4881 13.5115 16.3397 16.4156 16.8564 16.8742 19.4109 19.5167 19.5841 19.6212 k = 0.3644 0.2104 0.5951 ( 1015 PWs) bands (ev): -40.1754 -40.1754 -17.9596 -17.8813 -16.0289 -15.8827 -15.7800 -15.7416 0.3169 0.4268 8.9334 8.9439 10.8411 10.8447 11.0168 11.0950 13.5070 13.5344 16.2840 16.3594 16.8979 16.9107 19.4215 19.5799 19.5904 19.6798 k = 0.3592 0.2074 0.5865 ( 1015 PWs) bands (ev): -40.1757 -40.1757 -17.9589 -17.8795 -16.0287 -15.8787 -15.7807 -15.7400 0.3120 0.4233 8.9759 8.9872 10.8041 10.8086 10.9684 11.0461 13.5346 13.5655 16.2283 16.3032 16.9406 16.9485 19.4270 19.5911 19.6452 19.7402 k = 0.3539 0.2043 0.5779 ( 1015 PWs) bands (ev): -40.1761 -40.1761 -17.9580 -17.8778 -16.0283 -15.8751 -15.7808 -15.7381 0.3067 0.4192 9.0178 9.0300 10.7664 10.7722 10.9168 10.9928 13.5710 13.6050 16.1729 16.2473 16.9838 16.9868 19.4284 19.5895 19.7094 19.8016 k = 0.3486 0.2013 0.5692 ( 1025 PWs) bands (ev): -40.1768 -40.1768 -17.9570 -17.8760 -16.0276 -15.8717 -15.7803 -15.7359 0.3010 0.4144 9.0592 9.0723 10.7276 10.7357 10.8624 10.9353 13.6164 13.6531 16.1177 16.1915 17.0248 17.0266 19.4268 19.5850 19.7736 19.8638 k = 0.3433 0.1982 0.5606 ( 1025 PWs) bands (ev): -40.1772 -40.1772 -17.9557 -17.8742 -16.0266 -15.8688 -15.7792 -15.7336 0.2949 0.4089 9.0998 9.1139 10.6875 10.6990 10.8059 10.8740 13.6707 13.7097 16.0631 16.1363 17.0617 17.0683 19.4230 19.5783 19.8378 19.9263 k = 0.3380 0.1952 0.5520 ( 1015 PWs) bands (ev): -40.1774 -40.1774 -17.9542 -17.8724 -16.0252 -15.8661 -15.7775 -15.7310 0.2882 0.4027 9.1396 9.1548 10.6451 10.6622 10.7487 10.8092 13.7338 13.7748 16.0091 16.0818 17.0968 17.1083 19.4181 19.5703 19.9020 19.9891 k = 0.3327 0.1921 0.5434 ( 1015 PWs) bands (ev): -40.1779 -40.1779 -17.9525 -17.8706 -16.0236 -15.8639 -15.7751 -15.7282 0.2811 0.3957 9.1785 9.1948 10.5992 10.6255 10.6925 10.7416 13.8053 13.8481 15.9557 16.0279 17.1291 17.1455 19.4127 19.5616 19.9659 20.0518 k = 0.3275 0.1891 0.5347 ( 1019 PWs) bands (ev): -40.1786 -40.1786 -17.9506 -17.8687 -16.0216 -15.8619 -15.7721 -15.7252 0.2735 0.3880 9.2164 9.2339 10.5478 10.5887 10.6396 10.6714 13.8848 13.9292 15.9032 15.9748 17.1580 17.1793 19.4076 19.5529 20.0295 20.1144 k = 0.3222 0.1860 0.5261 ( 1019 PWs) bands (ev): -40.1792 -40.1792 -17.9485 -17.8669 -16.0193 -15.8602 -15.7686 -15.7220 0.2653 0.3796 9.2532 9.2720 10.4901 10.5521 10.5913 10.5993 13.9721 14.0179 15.8517 15.9227 17.1825 17.2088 19.4040 19.5452 20.0928 20.1767 k = 0.3169 0.1830 0.5175 ( 1015 PWs) bands (ev): -40.1797 -40.1797 -17.9462 -17.8649 -16.0166 -15.8587 -15.7646 -15.7186 0.2567 0.3703 9.2889 9.3090 10.4270 10.5149 10.5262 10.5474 14.0667 14.1139 15.8012 15.8717 17.2020 17.2334 19.4025 19.5393 20.1557 20.2388 k = 0.3116 0.1799 0.5089 ( 1015 PWs) bands (ev): -40.1803 -40.1803 -17.9436 -17.8629 -16.0135 -15.8574 -15.7601 -15.7150 0.2474 0.3603 9.3234 9.3449 10.3603 10.4502 10.4798 10.5063 14.1682 14.2166 15.7518 15.8218 17.2158 17.2525 19.4038 19.5359 20.2180 20.3003 k = 0.3063 0.1769 0.5002 ( 1015 PWs) bands (ev): -40.1811 -40.1811 -17.9408 -17.8608 -16.0100 -15.8561 -15.7552 -15.7113 0.2376 0.3496 9.3566 9.3796 10.2913 10.3747 10.4436 10.4671 14.2760 14.3257 15.7038 15.7733 17.2235 17.2653 19.4086 19.5356 20.2798 20.3614 k = 0.3011 0.1738 0.4916 ( 1011 PWs) bands (ev): -40.1817 -40.1817 -17.9377 -17.8587 -16.0061 -15.8548 -15.7500 -15.7075 0.2273 0.3380 9.3885 9.4131 10.2213 10.2988 10.4077 10.4292 14.3898 14.4407 15.6572 15.7262 17.2246 17.2716 19.4174 19.5390 20.3410 20.4219 k = 0.2958 0.1708 0.4830 ( 1015 PWs) bands (ev): -40.1827 -40.1827 -17.9344 -17.8564 -16.0019 -15.8534 -15.7445 -15.7035 0.2163 0.3256 9.4189 9.4453 10.1508 10.2229 10.3721 10.3922 14.5088 14.5611 15.6120 15.6806 17.2189 17.2711 19.4305 19.5465 20.4015 20.4816 k = 0.2905 0.1677 0.4744 ( 1015 PWs) bands (ev): -40.1835 -40.1835 -17.9309 -17.8541 -15.9972 -15.8519 -15.7389 -15.6994 0.2048 0.3125 9.4477 9.4762 10.0806 10.1473 10.3369 10.3558 14.6328 14.6865 15.5685 15.6367 17.2065 17.2636 19.4480 19.5582 20.4611 20.5406 k = 0.2852 0.1647 0.4657 ( 1015 PWs) bands (ev): -40.1844 -40.1844 -17.9271 -17.8517 -15.9921 -15.8503 -15.7330 -15.6952 0.1926 0.2985 9.4748 9.5056 10.0113 10.0724 10.3020 10.3200 14.7611 14.8164 15.5267 15.5946 17.1874 17.2494 19.4698 19.5742 20.5198 20.5987 k = 0.2799 0.1616 0.4571 ( 1015 PWs) bands (ev): -40.1854 -40.1854 -17.9231 -17.8491 -15.9866 -15.8485 -15.7270 -15.6909 0.1799 0.2838 9.4999 9.5336 9.9433 9.9985 10.2674 10.2848 14.8930 14.9500 15.4869 15.5547 17.1622 17.2286 19.4957 19.5943 20.5776 20.6558 k = 0.2746 0.1586 0.4485 ( 1015 PWs) bands (ev): -40.1864 -40.1864 -17.9188 -17.8465 -15.9807 -15.8464 -15.7209 -15.6865 0.1665 0.2682 9.5225 9.5600 9.8774 9.9258 10.2331 10.2500 15.0277 15.0868 15.4492 15.5172 17.1312 17.2019 19.5253 19.6181 20.6345 20.7120 k = 0.2694 0.1555 0.4399 ( 1015 PWs) bands (ev): -40.1874 -40.1874 -17.9143 -17.8437 -15.9744 -15.8441 -15.7147 -15.6820 0.1525 0.2519 9.5415 9.5846 9.8149 9.8547 10.1993 10.2156 15.1637 15.2253 15.4147 15.4832 17.0952 17.1698 19.5580 19.6451 20.6901 20.7670 k = 0.2641 0.1525 0.4312 ( 1019 PWs) bands (ev): -40.1886 -40.1886 -17.9096 -17.8408 -15.9677 -15.8416 -15.7085 -15.6775 0.1378 0.2348 9.5547 9.6072 9.7581 9.7857 10.1658 10.1817 15.2953 15.3479 15.4004 15.4577 17.0547 17.1329 19.5932 19.6747 20.7446 20.8208 k = 0.2588 0.1494 0.4226 ( 1019 PWs) bands (ev): -40.1898 -40.1898 -17.9046 -17.8378 -15.9605 -15.8387 -15.7023 -15.6729 0.1225 0.2169 9.5567 9.6263 9.7127 9.7204 10.1327 10.1482 15.3407 15.3755 15.4874 15.5195 17.0107 17.0922 19.6302 19.7062 20.7978 20.8733 k = 0.2535 0.1464 0.4140 ( 1019 PWs) bands (ev): -40.1910 -40.1910 -17.8994 -17.8346 -15.9530 -15.8355 -15.6960 -15.6683 0.1066 0.1983 9.5393 9.6280 9.6727 9.6870 10.1000 10.1152 15.3128 15.3659 15.6097 15.6626 16.9638 17.0485 19.6682 19.7387 20.8496 20.9245 k = 0.2482 0.1433 0.4054 ( 1019 PWs) bands (ev): -40.1922 -40.1922 -17.8940 -17.8313 -15.9451 -15.8320 -15.6898 -15.6636 0.0900 0.1789 9.5022 9.5791 9.6759 9.6813 10.0678 10.0825 15.2859 15.3422 15.7482 15.8068 16.9151 17.0028 19.7066 19.7715 20.9000 20.9741 k = 0.2430 0.1403 0.3967 ( 1019 PWs) bands (ev): -40.1934 -40.1934 -17.8884 -17.8278 -15.9368 -15.8282 -15.6835 -15.6589 0.0728 0.1587 9.4553 9.5198 9.6860 9.6900 10.0359 10.0503 15.2610 15.3183 15.8880 15.9503 16.8655 16.9563 19.7446 19.8038 20.9488 21.0223 k = 0.2377 0.1372 0.3881 ( 1023 PWs) bands (ev): -40.1949 -40.1949 -17.8826 -17.8242 -15.9281 -15.8240 -15.6774 -15.6542 0.0549 0.1378 9.4053 9.4614 9.6942 9.7037 10.0046 10.0185 15.2384 15.2958 16.0256 16.0912 16.8166 16.9106 19.7813 19.8345 20.9960 21.0687 k = 0.2324 0.1342 0.3795 ( 1015 PWs) bands (ev): -40.1959 -40.1959 -17.8765 -17.8204 -15.9191 -15.8195 -15.6712 -15.6495 0.0364 0.1162 9.3555 9.4051 9.7029 9.7158 9.9737 9.9871 15.2183 15.2756 16.1581 16.2267 16.7707 16.8678 19.8162 19.8631 21.0414 21.1135 k = 0.2271 0.1311 0.3709 ( 1015 PWs) bands (ev): -40.1973 -40.1973 -17.8703 -17.8165 -15.9097 -15.8147 -15.6651 -15.6448 0.0173 0.0939 9.3069 9.3512 9.7110 9.7261 9.9433 9.9561 15.2006 15.2576 16.2808 16.3510 16.7334 16.8323 19.8483 19.8886 21.0850 21.1563 k = 0.2218 0.1281 0.3622 ( 1015 PWs) bands (ev): -40.1987 -40.1987 -17.8639 -17.8125 -15.9000 -15.8095 -15.6591 -15.6402 -0.0025 0.0709 9.2602 9.3000 9.7179 9.7343 9.9134 9.9256 15.1855 15.2420 16.3848 16.4475 16.7206 16.8125 19.8771 19.9101 21.1265 21.1972 k = 0.2165 0.1250 0.3536 ( 1009 PWs) bands (ev): -40.1999 -40.1999 -17.8574 -17.8083 -15.8900 -15.8040 -15.6531 -15.6355 -0.0229 0.0473 9.2159 9.2515 9.7232 9.7403 9.8842 9.8955 15.1730 15.2290 16.4543 16.4862 16.7617 16.8232 19.9021 19.9272 21.1658 21.2359 k = 0.2113 0.1220 0.3450 ( 1009 PWs) bands (ev): -40.2014 -40.2014 -17.8507 -17.8040 -15.8797 -15.7982 -15.6473 -15.6309 -0.0439 0.0230 9.1741 9.2059 9.7267 9.7438 9.8558 9.8658 15.1631 15.2185 16.4723 16.4781 16.8505 16.8750 19.9228 19.9391 21.2021 21.2716 k = 0.2060 0.1189 0.3364 ( 1013 PWs) bands (ev): -40.2030 -40.2030 -17.8439 -17.7996 -15.8692 -15.7921 -15.6416 -15.6264 -0.0654 -0.0019 9.1350 9.1633 9.7284 9.7445 9.8285 9.8366 15.1557 15.2106 16.4378 16.4672 16.9540 16.9559 19.9390 19.9458 21.2297 21.2859 k = 0.2007 0.1159 0.3277 ( 1015 PWs) bands (ev): -40.2046 -40.2046 -17.8370 -17.7950 -15.8583 -15.7856 -15.6359 -15.6218 -0.0876 -0.0274 9.0986 9.1236 9.7279 9.7416 9.8031 9.8080 15.1511 15.2053 16.3972 16.4393 17.0469 17.0566 19.9477 19.9511 21.2009 21.2355 k = 0.1954 0.1128 0.3191 ( 1009 PWs) bands (ev): -40.2059 -40.2059 -17.8300 -17.7903 -15.8473 -15.7788 -15.6304 -15.6174 -0.1103 -0.0534 9.0651 9.0870 9.7253 9.7335 9.7802 9.7813 15.1492 15.2027 16.3553 16.4044 17.1368 17.1520 19.9457 19.9596 21.1486 21.1740 k = 0.1901 0.1098 0.3105 ( 1009 PWs) bands (ev): -40.2075 -40.2075 -17.8229 -17.7856 -15.8360 -15.7718 -15.6249 -15.6130 -0.1335 -0.0798 9.0346 9.0535 9.7185 9.7197 9.7537 9.7648 15.1498 15.2027 16.3140 16.3672 17.2194 17.2370 19.9411 19.9658 21.1042 21.1224 k = 0.1849 0.1067 0.3019 ( 1009 PWs) bands (ev): -40.2090 -40.2090 -17.8157 -17.7807 -15.8245 -15.7644 -15.6196 -15.6086 -0.1572 -0.1068 9.0069 9.0230 9.6977 9.7090 9.7309 9.7524 15.1531 15.2053 16.2742 16.3297 17.2911 17.3091 19.9360 19.9713 21.0691 21.0807 k = 0.1796 0.1037 0.2932 ( 1009 PWs) bands (ev): -40.2106 -40.2106 -17.8085 -17.7758 -15.8129 -15.7568 -15.6145 -15.6044 -0.1813 -0.1341 8.9823 8.9956 9.6741 9.6895 9.7155 9.7414 15.1590 15.2105 16.2364 16.2932 17.3492 17.3664 19.9328 19.9781 21.0426 21.0482 k = 0.1743 0.1006 0.2846 ( 1009 PWs) bands (ev): -40.2122 -40.2122 -17.8013 -17.7707 -15.8011 -15.7490 -15.6094 -15.6002 -0.2059 -0.1618 8.9605 8.9714 9.6495 9.6651 9.7036 9.7299 15.1675 15.2182 16.2009 16.2584 17.3919 17.4076 19.9337 19.9882 21.0236 21.0239 k = 0.1690 0.0976 0.2760 ( 1009 PWs) bands (ev): -40.2138 -40.2138 -17.7940 -17.7657 -15.7892 -15.7409 -15.6045 -15.5961 -0.2308 -0.1898 8.9418 8.9502 9.6246 9.6397 9.6913 9.7172 15.1785 15.2284 16.1679 16.2255 17.4180 17.4318 19.9406 20.0032 21.0066 21.0106 k = 0.1637 0.0945 0.2674 ( 1007 PWs) bands (ev): -40.2153 -40.2153 -17.7868 -17.7605 -15.7772 -15.7326 -15.5997 -15.5921 -0.2560 -0.2181 8.9259 8.9321 9.5999 9.6144 9.6778 9.7031 15.1919 15.2410 16.1376 16.1949 17.4271 17.4389 19.9551 20.0245 20.9951 21.0026 k = 0.1585 0.0915 0.2587 ( 1007 PWs) bands (ev): -40.2169 -40.2169 -17.7796 -17.7554 -15.7652 -15.7241 -15.5951 -15.5882 -0.2816 -0.2465 8.9129 8.9169 9.5755 9.5894 9.6628 9.6876 15.2077 15.2560 16.1098 16.1665 17.4193 17.4292 19.9775 20.0525 20.9881 20.9984 k = 0.1532 0.0884 0.2501 ( 999 PWs) bands (ev): -40.2182 -40.2182 -17.7724 -17.7502 -15.7531 -15.7154 -15.5906 -15.5843 -0.3073 -0.2751 8.9028 8.9048 9.5515 9.5649 9.6465 9.6706 15.2259 15.2734 16.0847 16.1407 17.3956 17.4038 20.0081 20.0873 20.9847 20.9972 k = 0.1479 0.0854 0.2415 ( 995 PWs) bands (ev): -40.2197 -40.2197 -17.7653 -17.7450 -15.7411 -15.7066 -15.5862 -15.5806 -0.3332 -0.3037 8.8954 8.8955 9.5280 9.5408 9.6289 9.6524 15.2463 15.2929 16.0621 16.1172 17.3574 17.3641 20.0458 20.1282 20.9840 20.9981 k = 0.1426 0.0823 0.2329 ( 995 PWs) bands (ev): -40.2212 -40.2212 -17.7583 -17.7398 -15.7290 -15.6977 -15.5821 -15.5770 -0.3591 -0.3322 8.8890 8.8907 9.5050 9.5173 9.6101 9.6329 15.2687 15.3145 16.0421 16.0960 17.3064 17.3119 20.0897 20.1741 20.9854 21.0005 k = 0.1373 0.0793 0.2242 ( 999 PWs) bands (ev): -40.2229 -40.2229 -17.7514 -17.7346 -15.7170 -15.6887 -15.5780 -15.5735 -0.3851 -0.3607 8.8853 8.8885 9.4825 9.4944 9.5902 9.6123 15.2932 15.3379 16.0245 16.0772 17.2445 17.2490 20.1385 20.2240 20.9882 21.0040 k = 0.1320 0.0762 0.2156 ( 999 PWs) bands (ev): -40.2244 -40.2244 -17.7446 -17.7295 -15.7052 -15.6797 -15.5741 -15.5701 -0.4111 -0.3891 8.8841 8.8889 9.4606 9.4720 9.5694 9.5908 15.3195 15.3633 16.0092 16.0606 17.1735 17.1773 20.1909 20.2766 20.9921 21.0082 k = 0.1268 0.0732 0.2070 ( 997 PWs) bands (ev): -40.2258 -40.2258 -17.7380 -17.7244 -15.6934 -15.6705 -15.5704 -15.5669 -0.4369 -0.4172 8.8855 8.8916 9.4393 9.4502 9.5478 9.5685 15.3476 15.3904 15.9962 16.0461 17.0954 17.0984 20.2456 20.3309 20.9968 21.0129 k = 0.1215 0.0701 0.1984 ( 997 PWs) bands (ev): -40.2273 -40.2273 -17.7315 -17.7194 -15.6818 -15.6614 -15.5668 -15.5637 -0.4625 -0.4449 8.8893 8.8965 9.4186 9.4291 9.5256 9.5456 15.3773 15.4190 15.9852 16.0336 17.0116 17.0141 20.3015 20.3857 21.0020 21.0179 k = 0.1162 0.0671 0.1897 ( 997 PWs) bands (ev): -40.2287 -40.2287 -17.7252 -17.7145 -15.6704 -15.6524 -15.5634 -15.5607 -0.4879 -0.4723 8.8952 8.9035 9.3986 9.4087 9.5030 9.5222 15.4083 15.4490 15.9762 16.0229 16.9236 16.9256 20.3578 20.4404 21.0075 21.0228 k = 0.1109 0.0640 0.1811 ( 1001 PWs) bands (ev): -40.2303 -40.2303 -17.7191 -17.7097 -15.6592 -15.6433 -15.5602 -15.5578 -0.5129 -0.4992 8.9033 8.9125 9.3793 9.3889 9.4800 9.4985 15.4406 15.4802 15.9689 16.0139 16.8328 16.8343 20.4136 20.4942 21.0130 21.0277 k = 0.1056 0.0610 0.1725 ( 997 PWs) bands (ev): -40.2315 -40.2315 -17.7132 -17.7049 -15.6482 -15.6344 -15.5571 -15.5550 -0.5375 -0.5255 8.9132 8.9232 9.3607 9.3699 9.4570 9.4747 15.4740 15.5123 15.9633 16.0064 16.7402 16.7413 20.4684 20.5465 21.0186 21.0324 k = 0.1004 0.0579 0.1639 ( 997 PWs) bands (ev): -40.2328 -40.2328 -17.7074 -17.7003 -15.6376 -15.6256 -15.5541 -15.5524 -0.5616 -0.5511 8.9248 8.9355 9.3428 9.3516 9.4340 9.4509 15.5082 15.5453 15.9591 16.0003 16.6469 16.6475 20.5217 20.5971 21.0241 21.0368 k = 0.0951 0.0549 0.1552 ( 997 PWs) bands (ev): -40.2341 -40.2341 -17.7020 -17.6958 -15.6272 -15.6170 -15.5513 -15.5498 -0.5850 -0.5761 8.9380 8.9491 9.3257 9.3341 9.4111 9.4272 15.5430 15.5788 15.9562 15.9954 16.5537 16.5539 20.5732 20.6455 21.0294 21.0409 k = 0.0898 0.0518 0.1466 ( 997 PWs) bands (ev): -40.2353 -40.2353 -17.6967 -17.6915 -15.6173 -15.6085 -15.5487 -15.5474 -0.6078 -0.6002 8.9525 8.9640 9.3094 9.3174 9.3886 9.4039 15.5783 15.6127 15.9545 15.9915 16.4613 16.4616 20.6226 20.6916 21.0344 21.0447 k = 0.0845 0.0488 0.1380 ( 993 PWs) bands (ev): -40.2364 -40.2364 -17.6917 -17.6874 -15.6077 -15.6003 -15.5462 -15.5452 -0.6298 -0.6234 8.9681 8.9797 9.2939 9.3015 9.3666 9.3811 15.6137 15.6467 15.9537 15.9884 16.3703 16.3711 20.6698 20.7353 21.0392 21.0480 k = 0.0792 0.0457 0.1294 ( 993 PWs) bands (ev): -40.2375 -40.2375 -17.6870 -17.6834 -15.5985 -15.5924 -15.5439 -15.5430 -0.6510 -0.6456 8.9845 8.9963 9.2793 9.2865 9.3453 9.3589 15.6490 15.6805 15.9538 15.9860 16.2816 16.2831 20.7146 20.7763 21.0436 21.0509 k = 0.0739 0.0427 0.1207 ( 993 PWs) bands (ev): -40.2385 -40.2385 -17.6826 -17.6796 -15.5898 -15.5848 -15.5417 -15.5410 -0.6712 -0.6668 9.0016 9.0132 9.2654 9.2723 9.3246 9.3375 15.6839 15.7139 15.9545 15.9839 16.1959 16.1984 20.7569 20.8147 21.0478 21.0534 k = 0.0687 0.0396 0.1121 ( 993 PWs) bands (ev): -40.2395 -40.2395 -17.6784 -17.6760 -15.5815 -15.5775 -15.5397 -15.5391 -0.6904 -0.6869 9.0190 9.0305 9.2525 9.2589 9.3049 9.3169 15.7182 15.7465 15.9557 15.9814 16.1137 16.1180 20.7966 20.8504 21.0516 21.0554 k = 0.0634 0.0366 0.1035 ( 989 PWs) bands (ev): -40.2404 -40.2404 -17.6745 -17.6726 -15.5738 -15.5706 -15.5378 -15.5374 -0.7086 -0.7058 9.0366 9.0477 9.2404 9.2465 9.2862 9.2974 15.7516 15.7782 15.9568 15.9751 16.0361 16.0457 20.8337 20.8833 21.0552 21.0570 k = 0.0581 0.0335 0.0949 ( 991 PWs) bands (ev): -40.2413 -40.2413 -17.6709 -17.6694 -15.5666 -15.5641 -15.5361 -15.5358 -0.7256 -0.7234 9.0541 9.0647 9.2293 9.2350 9.2686 9.2790 15.7838 15.8086 15.9450 15.9490 15.9721 16.0020 20.8682 20.9134 21.0581 21.0585 k = 0.0528 0.0305 0.0862 ( 991 PWs) bands (ev): -40.2421 -40.2421 -17.6676 -17.6665 -15.5599 -15.5580 -15.5346 -15.5343 -0.7414 -0.7397 9.0711 9.0812 9.2190 9.2244 9.2522 9.2618 15.8145 15.8373 15.8855 15.8894 15.9651 15.9928 20.8999 20.9405 21.0587 21.0615 k = 0.0475 0.0274 0.0776 ( 989 PWs) bands (ev): -40.2428 -40.2428 -17.6646 -17.6638 -15.5538 -15.5524 -15.5332 -15.5330 -0.7559 -0.7547 9.0876 9.0970 9.2097 9.2148 9.2371 9.2460 15.8236 15.8249 15.8449 15.8650 15.9670 15.9908 20.9287 20.9647 21.0588 21.0643 k = 0.0423 0.0244 0.0690 ( 979 PWs) bands (ev): -40.2431 -40.2431 -17.6619 -17.6614 -15.5483 -15.5473 -15.5319 -15.5318 -0.7690 -0.7682 9.1031 9.1117 9.2013 9.2061 9.2235 9.2316 15.7666 15.7678 15.8711 15.8898 15.9695 15.9902 20.9547 20.9858 21.0584 21.0669 k = 0.0370 0.0213 0.0604 ( 983 PWs) bands (ev): -40.2438 -40.2438 -17.6596 -17.6592 -15.5434 -15.5428 -15.5308 -15.5307 -0.7808 -0.7802 9.1176 9.1252 9.1939 9.1984 9.2113 9.2187 15.7149 15.7157 15.8957 15.9123 15.9721 15.9901 20.9776 21.0036 21.0574 21.0690 k = 0.0317 0.0183 0.0517 ( 977 PWs) bands (ev): -40.2442 -40.2442 -17.6575 -17.6573 -15.5392 -15.5387 -15.5298 -15.5298 -0.7911 -0.7907 9.1306 9.1373 9.1874 9.1917 9.2008 9.2074 15.6693 15.6697 15.9178 15.9322 15.9748 15.9900 20.9975 21.0182 21.0557 21.0704 k = 0.0264 0.0152 0.0431 ( 977 PWs) bands (ev): -40.2446 -40.2446 -17.6558 -17.6557 -15.5355 -15.5353 -15.5290 -15.5290 -0.7999 -0.7996 9.1422 9.1477 9.1819 9.1858 9.1919 9.1977 15.6301 15.6304 15.9372 15.9493 15.9773 15.9900 21.0140 21.0295 21.0536 21.0703 k = 0.0211 0.0122 0.0345 ( 967 PWs) bands (ev): -40.2446 -40.2446 -17.6543 -17.6543 -15.5325 -15.5324 -15.5284 -15.5284 -0.8071 -0.8070 9.1520 9.1563 9.1773 9.1807 9.1851 9.1898 15.5977 15.5978 15.9536 15.9634 15.9797 15.9898 21.0272 21.0378 21.0511 21.0679 k = 0.0158 0.0091 0.0259 ( 965 PWs) bands (ev): -40.2449 -40.2449 -17.6532 -17.6532 -15.5302 -15.5302 -15.5279 -15.5279 -0.8128 -0.8127 9.1597 9.1628 9.1737 9.1762 9.1806 9.1838 15.5722 15.5723 15.9668 15.9742 15.9819 15.9895 21.0370 21.0436 21.0490 21.0632 k = 0.0106 0.0061 0.0172 ( 965 PWs) bands (ev): -40.2451 -40.2451 -17.6525 -17.6525 -15.5286 -15.5285 -15.5275 -15.5275 -0.8169 -0.8169 9.1653 9.1669 9.1711 9.1725 9.1782 9.1797 15.5539 15.5539 15.9768 15.9817 15.9838 15.9888 21.0437 21.0472 21.0476 21.0577 k = 0.0053 0.0030 0.0086 ( 965 PWs) bands (ev): -40.2452 -40.2452 -17.6520 -17.6520 -15.5276 -15.5276 -15.5273 -15.5273 -0.8193 -0.8193 9.1683 9.1687 9.1695 9.1701 9.1775 9.1777 15.5429 15.5429 15.9833 15.9854 15.9858 15.9880 21.0475 21.0476 21.0490 21.0527 k = 0.0000 0.0000 0.0000 ( 965 PWs) bands (ev): -40.2452 -40.2452 -17.6518 -17.6518 -15.5272 -15.5272 -15.5272 -15.5272 -0.8201 -0.8201 9.1691 9.1691 9.1691 9.1691 9.1774 9.1774 15.5392 15.5392 15.9866 15.9866 15.9866 15.9866 21.0492 21.0492 21.0492 21.0492 k = 0.0000 0.0000 0.0000 ( 965 PWs) bands (ev): -40.2452 -40.2452 -17.6518 -17.6518 -15.5272 -15.5272 -15.5272 -15.5272 -0.8201 -0.8201 9.1691 9.1691 9.1691 9.1691 9.1774 9.1774 15.5392 15.5392 15.9866 15.9866 15.9866 15.9866 21.0492 21.0492 21.0492 21.0492 k = 0.0086 0.0050 0.0035 ( 965 PWs) bands (ev): -40.2452 -40.2452 -17.6520 -17.6520 -15.5276 -15.5276 -15.5273 -15.5273 -0.8193 -0.8193 9.1686 9.1686 9.1694 9.1701 9.1776 9.1776 15.5429 15.5429 15.9836 15.9856 15.9856 15.9877 21.0476 21.0481 21.0481 21.0530 k = 0.0172 0.0100 0.0070 ( 965 PWs) bands (ev): -40.2451 -40.2451 -17.6525 -17.6525 -15.5286 -15.5286 -15.5275 -15.5275 -0.8169 -0.8169 9.1664 9.1664 9.1710 9.1723 9.1788 9.1788 15.5539 15.5539 15.9788 15.9827 15.9827 15.9869 21.0446 21.0446 21.0480 21.0588 k = 0.0259 0.0149 0.0106 ( 965 PWs) bands (ev): -40.2449 -40.2449 -17.6532 -17.6532 -15.5303 -15.5303 -15.5278 -15.5278 -0.8128 -0.8128 9.1621 9.1621 9.1739 9.1758 9.1814 9.1814 15.5722 15.5722 15.9722 15.9780 15.9780 15.9843 21.0377 21.0377 21.0505 21.0665 k = 0.0345 0.0199 0.0141 ( 968 PWs) bands (ev): -40.2447 -40.2447 -17.6543 -17.6543 -15.5327 -15.5327 -15.5282 -15.5282 -0.8071 -0.8071 9.1558 9.1558 9.1780 9.1806 9.1855 9.1855 15.5977 15.5977 15.9638 15.9715 15.9715 15.9800 21.0267 21.0267 21.0549 21.0762 k = 0.0431 0.0249 0.0176 ( 977 PWs) bands (ev): -40.2446 -40.2446 -17.6557 -17.6557 -15.5357 -15.5357 -15.5287 -15.5287 -0.7998 -0.7998 9.1478 9.1478 9.1833 9.1865 9.1909 9.1909 15.6301 15.6301 15.9538 15.9632 15.9632 15.9739 21.0112 21.0112 21.0610 21.0875 k = 0.0517 0.0299 0.0211 ( 977 PWs) bands (ev): -40.2442 -40.2442 -17.6574 -17.6574 -15.5394 -15.5394 -15.5294 -15.5294 -0.7909 -0.7909 9.1381 9.1381 9.1898 9.1937 9.1977 9.1977 15.6693 15.6693 15.9424 15.9534 15.9534 15.9663 20.9916 20.9916 21.0688 21.1004 k = 0.0603 0.0348 0.0246 ( 983 PWs) bands (ev): -40.2438 -40.2438 -17.6594 -17.6594 -15.5437 -15.5437 -15.5302 -15.5302 -0.7806 -0.7806 9.1271 9.1271 9.1975 9.2021 9.2056 9.2056 15.7149 15.7149 15.9296 15.9421 15.9421 15.9572 20.9680 20.9680 21.0780 21.1145 k = 0.0690 0.0398 0.0282 ( 980 PWs) bands (ev): -40.2432 -40.2432 -17.6616 -17.6616 -15.5486 -15.5486 -15.5310 -15.5310 -0.7687 -0.7687 9.1150 9.1150 9.2064 9.2116 9.2146 9.2146 15.7667 15.7667 15.9157 15.9297 15.9297 15.9469 20.9409 20.9409 21.0883 21.1297 k = 0.0776 0.0448 0.0317 ( 992 PWs) bands (ev): -40.2429 -40.2429 -17.6642 -17.6642 -15.5541 -15.5541 -15.5320 -15.5320 -0.7555 -0.7555 9.1018 9.1018 9.2163 9.2221 9.2247 9.2247 15.8242 15.8242 15.9007 15.9163 15.9163 15.9354 20.9105 20.9105 21.0995 21.1456 k = 0.0862 0.0498 0.0352 ( 992 PWs) bands (ev): -40.2421 -40.2421 -17.6671 -17.6671 -15.5602 -15.5602 -15.5331 -15.5331 -0.7408 -0.7408 9.0880 9.0880 9.2273 9.2338 9.2360 9.2360 15.8847 15.8847 15.8850 15.9043 15.9043 15.9231 20.8772 20.8772 21.1113 21.1620 k = 0.0948 0.0547 0.0387 ( 992 PWs) bands (ev): -40.2413 -40.2413 -17.6702 -17.6702 -15.5668 -15.5668 -15.5343 -15.5343 -0.7249 -0.7249 9.0736 9.0736 9.2394 9.2464 9.2482 9.2482 15.8687 15.8852 15.8852 15.9101 15.9567 15.9567 20.8415 20.8415 21.1234 21.1785 k = 0.1034 0.0597 0.0422 ( 995 PWs) bands (ev): -40.2406 -40.2406 -17.6735 -17.6735 -15.5740 -15.5740 -15.5356 -15.5356 -0.7077 -0.7077 9.0591 9.0591 9.2524 9.2601 9.2614 9.2614 15.8521 15.8699 15.8699 15.8965 16.0290 16.0290 20.8036 20.8036 21.1354 21.1947 k = 0.1121 0.0647 0.0458 ( 995 PWs) bands (ev): -40.2396 -40.2396 -17.6772 -17.6772 -15.5816 -15.5816 -15.5370 -15.5370 -0.6894 -0.6894 9.0445 9.0445 9.2663 9.2746 9.2756 9.2756 15.8353 15.8540 15.8540 15.8827 16.1055 16.1055 20.7641 20.7641 21.1471 21.2104 k = 0.1207 0.0697 0.0493 ( 989 PWs) bands (ev): -40.2384 -40.2384 -17.6810 -17.6810 -15.5897 -15.5897 -15.5385 -15.5385 -0.6700 -0.6700 9.0302 9.0302 9.2811 9.2899 9.2905 9.2905 15.8186 15.8381 15.8381 15.8689 16.1856 16.1856 20.7233 20.7233 21.1580 21.2251 k = 0.1293 0.0747 0.0528 ( 989 PWs) bands (ev): -40.2374 -40.2374 -17.6851 -17.6851 -15.5983 -15.5983 -15.5400 -15.5400 -0.6495 -0.6495 9.0163 9.0163 9.2967 9.3061 9.3063 9.3063 15.8022 15.8223 15.8223 15.8552 16.2686 16.2686 20.6816 20.6816 21.1677 21.2385 k = 0.1379 0.0796 0.0563 ( 989 PWs) bands (ev): -40.2363 -40.2363 -17.6895 -17.6895 -15.6073 -15.6073 -15.5417 -15.5417 -0.6282 -0.6282 9.0032 9.0032 9.3129 9.3227 9.3227 9.3229 15.7863 15.8069 15.8069 15.8419 16.3537 16.3537 20.6397 20.6397 21.1759 21.2502 k = 0.1466 0.0846 0.0598 ( 989 PWs) bands (ev): -40.2351 -40.2351 -17.6941 -17.6941 -15.6166 -15.6166 -15.5434 -15.5434 -0.6060 -0.6060 8.9911 8.9911 9.3299 9.3398 9.3398 9.3404 15.7712 15.7921 15.7921 15.8293 16.4404 16.4404 20.5980 20.5980 21.1824 21.2599 k = 0.1552 0.0896 0.0633 ( 989 PWs) bands (ev): -40.2339 -40.2339 -17.6988 -17.6988 -15.6263 -15.6263 -15.5452 -15.5452 -0.5831 -0.5831 8.9801 8.9801 9.3474 9.3575 9.3575 9.3584 15.7570 15.7782 15.7782 15.8174 16.5279 16.5279 20.5570 20.5570 21.1866 21.2673 k = 0.1638 0.0946 0.0669 ( 989 PWs) bands (ev): -40.2326 -40.2326 -17.7038 -17.7038 -15.6363 -15.6363 -15.5470 -15.5470 -0.5595 -0.5595 8.9704 8.9704 9.3654 9.3757 9.3757 9.3769 15.7441 15.7653 15.7653 15.8066 16.6152 16.6152 20.5174 20.5174 21.1884 21.2699 k = 0.1724 0.0995 0.0704 ( 989 PWs) bands (ev): -40.2313 -40.2313 -17.7090 -17.7090 -15.6466 -15.6466 -15.5489 -15.5489 -0.5353 -0.5353 8.9623 8.9623 9.3838 9.3943 9.3943 9.3958 15.7325 15.7537 15.7537 15.7971 16.7016 16.7016 20.4799 20.4799 21.1874 21.2692 k = 0.1810 0.1045 0.0739 ( 989 PWs) bands (ev): -40.2300 -40.2300 -17.7143 -17.7143 -15.6571 -15.6571 -15.5509 -15.5509 -0.5107 -0.5107 8.9560 8.9560 9.4026 9.4132 9.4132 9.4150 15.7224 15.7436 15.7436 15.7890 16.7860 16.7860 20.4452 20.4452 21.1834 21.2652 k = 0.1897 0.1095 0.0774 ( 989 PWs) bands (ev): -40.2286 -40.2286 -17.7198 -17.7198 -15.6678 -15.6678 -15.5529 -15.5529 -0.4858 -0.4858 8.9515 8.9515 9.4216 9.4324 9.4324 9.4344 15.7142 15.7350 15.7350 15.7825 16.8675 16.8675 20.4139 20.4139 21.1760 21.2577 k = 0.1983 0.1145 0.0809 ( 1001 PWs) bands (ev): -40.2276 -40.2276 -17.7255 -17.7255 -15.6788 -15.6788 -15.5550 -15.5550 -0.4606 -0.4606 8.9490 8.9490 9.4408 9.4517 9.4517 9.4540 15.7078 15.7283 15.7283 15.7778 16.9450 16.9450 20.3868 20.3868 21.1651 21.2464 k = 0.2069 0.1195 0.0845 ( 1001 PWs) bands (ev): -40.2262 -40.2262 -17.7312 -17.7312 -15.6898 -15.6898 -15.5571 -15.5571 -0.4351 -0.4351 8.9487 8.9487 9.4601 9.4711 9.4711 9.4736 15.7036 15.7236 15.7236 15.7751 17.0173 17.0173 20.3648 20.3648 21.1505 21.2313 k = 0.2155 0.1244 0.0880 ( 1001 PWs) bands (ev): -40.2248 -40.2248 -17.7371 -17.7371 -15.7009 -15.7009 -15.5593 -15.5593 -0.4097 -0.4097 8.9507 8.9507 9.4794 9.4906 9.4906 9.4932 15.7016 15.7210 15.7210 15.7745 17.0834 17.0834 20.3485 20.3485 21.1320 21.2121 k = 0.2241 0.1294 0.0915 ( 1001 PWs) bands (ev): -40.2233 -40.2233 -17.7430 -17.7430 -15.7121 -15.7121 -15.5614 -15.5614 -0.3842 -0.3842 8.9551 8.9551 9.4987 9.5100 9.5100 9.5128 15.7020 15.7207 15.7207 15.7762 17.1422 17.1422 20.3387 20.3387 21.1096 21.1888 k = 0.2328 0.1344 0.0950 ( 1001 PWs) bands (ev): -40.2218 -40.2218 -17.7491 -17.7491 -15.7233 -15.7233 -15.5636 -15.5636 -0.3588 -0.3588 8.9618 8.9618 9.5178 9.5293 9.5293 9.5322 15.7049 15.7227 15.7227 15.7803 17.1926 17.1926 20.3357 20.3357 21.0830 21.1613 k = 0.2414 0.1394 0.0985 ( 1001 PWs) bands (ev): -40.2203 -40.2203 -17.7552 -17.7552 -15.7345 -15.7345 -15.5658 -15.5658 -0.3336 -0.3336 8.9711 8.9711 9.5368 9.5484 9.5484 9.5513 15.7104 15.7273 15.7273 15.7868 17.2339 17.2339 20.3401 20.3401 21.0524 21.1295 k = 0.2500 0.1443 0.1021 ( 1001 PWs) bands (ev): -40.2188 -40.2188 -17.7613 -17.7613 -15.7457 -15.7457 -15.5679 -15.5679 -0.3087 -0.3087 8.9828 8.9828 9.5554 9.5672 9.5672 9.5701 15.7186 15.7344 15.7344 15.7959 17.2653 17.2653 20.3518 20.3518 21.0176 21.0935 k = 0.2586 0.1493 0.1056 ( 1001 PWs) bands (ev): -40.2173 -40.2173 -17.7675 -17.7675 -15.7568 -15.7568 -15.5701 -15.5701 -0.2841 -0.2841 8.9971 8.9971 9.5738 9.5857 9.5857 9.5885 15.7295 15.7441 15.7441 15.8076 17.2864 17.2864 20.3707 20.3707 20.9788 21.0533 k = 0.2672 0.1543 0.1091 ( 1007 PWs) bands (ev): -40.2160 -40.2160 -17.7737 -17.7737 -15.7678 -15.7678 -15.5723 -15.5723 -0.2600 -0.2600 9.0138 9.0138 9.5917 9.6037 9.6037 9.6065 15.7432 15.7565 15.7565 15.8220 17.2971 17.2971 20.3962 20.3962 20.9359 21.0090 k = 0.2759 0.1593 0.1126 ( 1010 PWs) bands (ev): -40.2146 -40.2146 -17.7799 -17.7799 -15.7786 -15.7786 -15.5745 -15.5745 -0.2363 -0.2363 9.0330 9.0330 9.6092 9.6213 9.6213 9.6240 15.7598 15.7717 15.7717 15.8391 17.2975 17.2975 20.4274 20.4274 20.8891 20.9607 k = 0.2845 0.1642 0.1161 ( 1010 PWs) bands (ev): -40.2132 -40.2132 -17.7860 -17.7860 -15.7893 -15.7893 -15.5766 -15.5766 -0.2132 -0.2132 9.0546 9.0546 9.6261 9.6384 9.6384 9.6409 15.7793 15.7895 15.7895 15.8590 17.2878 17.2878 20.4632 20.4632 20.8387 20.9087 k = 0.2931 0.1692 0.1197 ( 1011 PWs) bands (ev): -40.2118 -40.2118 -17.7921 -17.7921 -15.7998 -15.7998 -15.5788 -15.5788 -0.1907 -0.1907 9.0785 9.0785 9.6425 9.6550 9.6550 9.6572 15.8016 15.8101 15.8101 15.8815 17.2688 17.2688 20.5022 20.5022 20.7846 20.8531 k = 0.3017 0.1742 0.1232 ( 1011 PWs) bands (ev): -40.2103 -40.2103 -17.7981 -17.7981 -15.8101 -15.8101 -15.5808 -15.5808 -0.1689 -0.1689 9.1046 9.1046 9.6584 9.6709 9.6709 9.6729 15.8268 15.8334 15.8334 15.9067 17.2411 17.2411 20.5427 20.5427 20.7273 20.7943 k = 0.3103 0.1792 0.1267 ( 1002 PWs) bands (ev): -40.2086 -40.2086 -17.8040 -17.8040 -15.8201 -15.8201 -15.5829 -15.5829 -0.1478 -0.1478 9.1328 9.1328 9.6736 9.6862 9.6862 9.6879 15.8547 15.8593 15.8593 15.9346 17.2056 17.2056 20.5829 20.5829 20.6669 20.7326 k = 0.3190 0.1842 0.1302 ( 1008 PWs) bands (ev): -40.2074 -40.2074 -17.8099 -17.8099 -15.8298 -15.8298 -15.5849 -15.5849 -0.1275 -0.1275 9.1629 9.1629 9.6881 9.7008 9.7008 9.7021 15.8852 15.8876 15.8876 15.9649 17.1631 17.1631 20.6037 20.6196 20.6196 20.6698 k = 0.3276 0.1891 0.1337 ( 1008 PWs) bands (ev): -40.2061 -40.2061 -17.8156 -17.8156 -15.8393 -15.8393 -15.5868 -15.5868 -0.1080 -0.1080 9.1947 9.1947 9.7019 9.7148 9.7148 9.7157 15.9183 15.9183 15.9184 15.9976 17.1148 17.1148 20.5381 20.5970 20.5970 20.6347 k = 0.3362 0.1941 0.1373 ( 1008 PWs) bands (ev): -40.2048 -40.2048 -17.8212 -17.8212 -15.8484 -15.8484 -15.5887 -15.5887 -0.0894 -0.0894 9.2281 9.2281 9.7151 9.7280 9.7280 9.7285 15.9513 15.9513 15.9539 16.0325 17.0614 17.0614 20.4703 20.5291 20.5291 20.5655 k = 0.3448 0.1991 0.1408 ( 1008 PWs) bands (ev): -40.2035 -40.2035 -17.8266 -17.8266 -15.8572 -15.8572 -15.5906 -15.5906 -0.0716 -0.0716 9.2627 9.2627 9.7275 9.7405 9.7405 9.7405 15.9863 15.9863 15.9917 16.0695 17.0041 17.0041 20.4009 20.4583 20.4583 20.4944 k = 0.3534 0.2041 0.1443 ( 1008 PWs) bands (ev): -40.2023 -40.2023 -17.8318 -17.8318 -15.8656 -15.8656 -15.5923 -15.5923 -0.0548 -0.0548 9.2983 9.2983 9.7392 9.7517 9.7524 9.7524 16.0231 16.0231 16.0316 16.1083 16.9438 16.9438 20.3301 20.3860 20.3860 20.4218 k = 0.3621 0.2090 0.1478 ( 1008 PWs) bands (ev): -40.2011 -40.2011 -17.8368 -17.8368 -15.8737 -15.8737 -15.5940 -15.5940 -0.0388 -0.0388 9.3347 9.3347 9.7502 9.7622 9.7635 9.7635 16.0613 16.0613 16.0732 16.1486 16.8814 16.8814 20.2586 20.3129 20.3129 20.3480 k = 0.3707 0.2140 0.1513 ( 1014 PWs) bands (ev): -40.2002 -40.2002 -17.8417 -17.8417 -15.8813 -15.8813 -15.5956 -15.5956 -0.0238 -0.0238 9.3715 9.3715 9.7604 9.7719 9.7738 9.7738 16.1006 16.1006 16.1164 16.1902 16.8178 16.8178 20.1866 20.2394 20.2394 20.2736 k = 0.3793 0.2190 0.1549 ( 1017 PWs) bands (ev): -40.1992 -40.1992 -17.8463 -17.8463 -15.8885 -15.8885 -15.5972 -15.5972 -0.0098 -0.0098 9.4084 9.4084 9.7700 9.7809 9.7835 9.7835 16.1407 16.1407 16.1607 16.2327 16.7541 16.7541 20.1148 20.1660 20.1660 20.1991 k = 0.3879 0.2240 0.1584 ( 1017 PWs) bands (ev): -40.1982 -40.1982 -17.8506 -17.8506 -15.8953 -15.8953 -15.5986 -15.5986 0.0033 0.0033 9.4450 9.4450 9.7788 9.7891 9.7926 9.7926 16.1809 16.1809 16.2060 16.2758 16.6912 16.6912 20.0438 20.0934 20.0934 20.1250 k = 0.3966 0.2289 0.1619 ( 1017 PWs) bands (ev): -40.1973 -40.1973 -17.8547 -17.8547 -15.9017 -15.9017 -15.6000 -15.6000 0.0154 0.0154 9.4810 9.4810 9.7869 9.7966 9.8009 9.8009 16.2205 16.2205 16.2517 16.3189 16.6303 16.6303 19.9742 20.0221 20.0221 20.0519 k = 0.4052 0.2339 0.1654 ( 1017 PWs) bands (ev): -40.1964 -40.1964 -17.8585 -17.8585 -15.9076 -15.9076 -15.6013 -15.6013 0.0265 0.0265 9.5160 9.5160 9.7944 9.8033 9.8086 9.8086 16.2580 16.2580 16.2975 16.3617 16.5731 16.5731 19.9065 19.9526 19.9526 19.9803 k = 0.4138 0.2389 0.1689 ( 1023 PWs) bands (ev): -40.1958 -40.1958 -17.8621 -17.8621 -15.9130 -15.9130 -15.6024 -15.6024 0.0367 0.0367 9.5495 9.5495 9.8011 9.8094 9.8157 9.8157 16.2911 16.2911 16.3427 16.4035 16.5221 16.5221 19.8414 19.8857 19.8857 19.9110 k = 0.4224 0.2439 0.1724 ( 1023 PWs) bands (ev): -40.1951 -40.1951 -17.8653 -17.8653 -15.9179 -15.9179 -15.6035 -15.6035 0.0459 0.0459 9.5812 9.5812 9.8072 9.8147 9.8222 9.8222 16.3143 16.3143 16.3869 16.4439 16.4831 16.4831 19.7797 19.8221 19.8221 19.8445 k = 0.4310 0.2489 0.1760 ( 1023 PWs) bands (ev): -40.1944 -40.1944 -17.8682 -17.8682 -15.9224 -15.9224 -15.6045 -15.6045 0.0541 0.0541 9.6107 9.6107 9.8127 9.8194 9.8282 9.8282 16.3176 16.3176 16.4294 16.4662 16.4662 16.4821 19.7221 19.7624 19.7624 19.7817 k = 0.4397 0.2538 0.1795 ( 1026 PWs) bands (ev): -40.1939 -40.1939 -17.8709 -17.8709 -15.9263 -15.9263 -15.6053 -15.6053 0.0613 0.0613 9.6376 9.6376 9.8175 9.8234 9.8336 9.8336 16.2984 16.2984 16.4697 16.4737 16.4737 16.5175 19.6694 19.7074 19.7074 19.7232 k = 0.4483 0.2588 0.1830 ( 1026 PWs) bands (ev): -40.1934 -40.1934 -17.8731 -17.8731 -15.9297 -15.9297 -15.6061 -15.6061 0.0676 0.0676 9.6615 9.6615 9.8217 9.8268 9.8385 9.8385 16.2688 16.2688 16.4938 16.4938 16.5071 16.5494 19.6224 19.6577 19.6577 19.6698 k = 0.4569 0.2638 0.1865 ( 1020 PWs) bands (ev): -40.1927 -40.1927 -17.8751 -17.8751 -15.9326 -15.9326 -15.6067 -15.6067 0.0729 0.0729 9.6821 9.6821 9.8253 9.8296 9.8429 9.8429 16.2384 16.2384 16.5167 16.5167 16.5410 16.5773 19.5817 19.6142 19.6142 19.6223 k = 0.4655 0.2688 0.1900 ( 1020 PWs) bands (ev): -40.1924 -40.1924 -17.8767 -17.8767 -15.9350 -15.9350 -15.6072 -15.6072 0.0772 0.0772 9.6992 9.6992 9.8283 9.8318 9.8467 9.8467 16.2111 16.2111 16.5380 16.5380 16.5706 16.6003 19.5481 19.5775 19.5775 19.5813 k = 0.4741 0.2737 0.1936 ( 1020 PWs) bands (ev): -40.1921 -40.1921 -17.8779 -17.8779 -15.9369 -15.9369 -15.6076 -15.6076 0.0805 0.0805 9.7126 9.7126 9.8307 9.8333 9.8498 9.8498 16.1888 16.1888 16.5560 16.5560 16.5952 16.6180 19.5223 19.5477 19.5483 19.5483 k = 0.4828 0.2787 0.1971 ( 1008 PWs) bands (ev): -40.1915 -40.1915 -17.8788 -17.8788 -15.9382 -15.9382 -15.6079 -15.6079 0.0830 0.0830 9.7222 9.7222 9.8326 9.8343 9.8522 9.8522 16.1726 16.1726 16.5695 16.5695 16.6145 16.6299 19.5047 19.5219 19.5270 19.5270 k = 0.4914 0.2837 0.2006 ( 1008 PWs) bands (ev): -40.1914 -40.1914 -17.8793 -17.8793 -15.9390 -15.9390 -15.6081 -15.6081 0.0844 0.0844 9.7280 9.7280 9.8339 9.8348 9.8536 9.8536 16.1625 16.1625 16.5779 16.5779 16.6278 16.6356 19.4958 19.5044 19.5140 19.5140 k = 0.5000 0.2887 0.2041 ( 1008 PWs) bands (ev): -40.1913 -40.1913 -17.8795 -17.8795 -15.9392 -15.9392 -15.6081 -15.6081 0.0849 0.0849 9.7299 9.7299 9.8346 9.8346 9.8542 9.8542 16.1592 16.1592 16.5807 16.5807 16.6349 16.6349 19.4957 19.4957 19.5096 19.5096 k = 0.5000 0.2887 0.2041 ( 1008 PWs) bands (ev): -40.1913 -40.1913 -17.8795 -17.8795 -15.9392 -15.9392 -15.6081 -15.6081 0.0849 0.0849 9.7299 9.7299 9.8346 9.8346 9.8542 9.8542 16.1592 16.1592 16.5807 16.5807 16.6349 16.6349 19.4957 19.4957 19.5096 19.5096 k = 0.5030 0.2799 0.2091 ( 1008 PWs) bands (ev): -40.1913 -40.1913 -17.8813 -17.8777 -15.9417 -15.9367 -15.6084 -15.6084 0.0828 0.0878 9.7279 9.7327 9.8348 9.8348 9.8540 9.8549 16.1526 16.1596 16.5753 16.5837 16.6338 16.6338 19.4960 19.4961 19.5096 19.5144 k = 0.5061 0.2711 0.2141 ( 1008 PWs) bands (ev): -40.1913 -40.1913 -17.8832 -17.8761 -15.9443 -15.9343 -15.6090 -15.6090 0.0815 0.0916 9.7266 9.7361 9.8351 9.8353 9.8549 9.8568 16.1400 16.1539 16.5678 16.5844 16.6308 16.6308 19.4975 19.4979 19.5139 19.5231 k = 0.5091 0.2623 0.2191 ( 1010 PWs) bands (ev): -40.1912 -40.1912 -17.8852 -17.8745 -15.9468 -15.9319 -15.6101 -15.6101 0.0810 0.0962 9.7257 9.7399 9.8349 9.8353 9.8577 9.8606 16.1208 16.1414 16.5584 16.5830 16.6260 16.6262 19.5011 19.5015 19.5214 19.5351 k = 0.5122 0.2535 0.2240 ( 1014 PWs) bands (ev): -40.1912 -40.1912 -17.8873 -17.8730 -15.9495 -15.9295 -15.6117 -15.6116 0.0815 0.1017 9.7249 9.7434 9.8340 9.8347 9.8632 9.8669 16.0948 16.1217 16.5475 16.5798 16.6201 16.6207 19.5071 19.5072 19.5316 19.5499 k = 0.5152 0.2447 0.2290 ( 1011 PWs) bands (ev): -40.1909 -40.1909 -17.8894 -17.8716 -15.9521 -15.9271 -15.6137 -15.6134 0.0827 0.1079 9.7234 9.7456 9.8331 9.8348 9.8714 9.8759 16.0615 16.0942 16.5359 16.5748 16.6137 16.6151 19.5146 19.5158 19.5442 19.5673 k = 0.5183 0.2359 0.2340 ( 1011 PWs) bands (ev): -40.1907 -40.1907 -17.8915 -17.8703 -15.9547 -15.9248 -15.6161 -15.6157 0.0847 0.1148 9.7205 9.7451 9.8334 9.8370 9.8820 9.8873 16.0207 16.0583 16.5238 16.5679 16.6074 16.6104 19.5240 19.5266 19.5588 19.5867 k = 0.5213 0.2271 0.2390 ( 1013 PWs) bands (ev): -40.1905 -40.1905 -17.8938 -17.8691 -15.9574 -15.9225 -15.6189 -15.6183 0.0875 0.1225 9.7152 9.7408 9.8358 9.8429 9.8950 9.9009 15.9724 16.0139 16.5114 16.5589 16.6020 16.6077 19.5351 19.5394 19.5754 19.6078 k = 0.5244 0.2183 0.2440 ( 1011 PWs) bands (ev): -40.1902 -40.1902 -17.8960 -17.8680 -15.9601 -15.9202 -15.6222 -15.6213 0.0911 0.1308 9.7069 9.7323 9.8411 9.8528 9.9100 9.9167 15.9168 15.9612 16.4986 16.5478 16.5984 16.6075 19.5477 19.5538 19.5936 19.6303 k = 0.5274 0.2095 0.2489 ( 1009 PWs) bands (ev): -40.1898 -40.1898 -17.8984 -17.8670 -15.9629 -15.9179 -15.6258 -15.6245 0.0954 0.1398 9.6955 9.7201 9.8498 9.8666 9.9272 9.9346 15.8544 15.9007 16.4848 16.5348 16.5971 16.6099 19.5616 19.5695 19.6132 19.6537 k = 0.5305 0.2007 0.2539 ( 1007 PWs) bands (ev): -40.1894 -40.1894 -17.9007 -17.8661 -15.9656 -15.9157 -15.6299 -15.6281 0.1003 0.1494 9.6812 9.7048 9.8617 9.8837 9.9462 9.9544 15.7856 15.8332 16.4700 16.5202 16.5986 16.6149 19.5766 19.5859 19.6338 19.6777 k = 0.5335 0.1919 0.2589 ( 1009 PWs) bands (ev): -40.1890 -40.1890 -17.9031 -17.8653 -15.9684 -15.9135 -15.6343 -15.6320 0.1060 0.1595 9.6642 9.6869 9.8768 9.9038 9.9672 9.9762 15.7112 15.7594 16.4539 16.5044 16.6030 16.6221 19.5925 19.6027 19.6550 19.7016 k = 0.5366 0.1831 0.2639 ( 1015 PWs) bands (ev): -40.1888 -40.1888 -17.9056 -17.8646 -15.9712 -15.9113 -15.6391 -15.6361 0.1122 0.1701 9.6450 9.6670 9.8947 9.9265 9.9899 9.9997 15.6318 15.6801 16.4368 16.4876 16.6100 16.6314 19.6089 19.6196 19.6765 19.7252 k = 0.5396 0.1743 0.2688 ( 1013 PWs) bands (ev): -40.1883 -40.1883 -17.9080 -17.8641 -15.9739 -15.9091 -15.6442 -15.6404 0.1189 0.1811 9.6238 9.6453 9.9153 9.9517 10.0144 10.0250 15.5482 15.5962 16.4188 16.4703 16.6194 16.6425 19.6257 19.6363 19.6980 19.7480 k = 0.5427 0.1655 0.2738 ( 1013 PWs) bands (ev): -40.1878 -40.1878 -17.9105 -17.8636 -15.9767 -15.9070 -15.6497 -15.6450 0.1262 0.1925 9.6010 9.6220 9.9384 9.9792 10.0406 10.0520 15.4610 15.5085 16.4002 16.4524 16.6310 16.6553 19.6426 19.6522 19.7191 19.7696 k = 0.5457 0.1567 0.2788 ( 1013 PWs) bands (ev): -40.1873 -40.1873 -17.9130 -17.8633 -15.9795 -15.9049 -15.6554 -15.6496 0.1340 0.2042 9.5768 9.5974 9.9640 10.0090 10.0683 10.0806 15.3709 15.4176 16.3813 16.4344 16.6443 16.6694 19.6592 19.6671 19.7394 19.7895 k = 0.5488 0.1479 0.2838 ( 1013 PWs) bands (ev): -40.1868 -40.1868 -17.9155 -17.8631 -15.9823 -15.9027 -15.6614 -15.6545 0.1421 0.2161 9.5514 9.5716 9.9919 10.0411 10.0975 10.1108 15.2783 15.3242 16.3622 16.4165 16.6592 16.6847 19.6755 19.6805 19.7587 19.8074 k = 0.5518 0.1391 0.2888 ( 1012 PWs) bands (ev): -40.1862 -40.1862 -17.9181 -17.8630 -15.9851 -15.9007 -15.6676 -15.6594 0.1506 0.2283 9.5250 9.5448 10.0220 10.0753 10.1281 10.1423 15.1838 15.2288 16.3434 16.3987 16.6754 16.7010 19.6910 19.6922 19.7767 19.8230 k = 0.5549 0.1303 0.2937 ( 1014 PWs) bands (ev): -40.1857 -40.1857 -17.9206 -17.8630 -15.9879 -15.8986 -15.6740 -15.6644 0.1593 0.2405 9.4977 9.5172 10.0544 10.1117 10.1600 10.1752 15.0880 15.1320 16.3249 16.3814 16.6926 16.7180 19.7017 19.7056 19.7934 19.8360 k = 0.5579 0.1215 0.2987 ( 1014 PWs) bands (ev): -40.1852 -40.1852 -17.9231 -17.8632 -15.9906 -15.8966 -15.6806 -15.6695 0.1684 0.2529 9.4697 9.4888 10.0890 10.1501 10.1931 10.2094 14.9912 15.0342 16.3071 16.3647 16.7105 16.7356 19.7088 19.7190 19.8084 19.8462 k = 0.5610 0.1127 0.3037 ( 1014 PWs) bands (ev): -40.1846 -40.1846 -17.9256 -17.8634 -15.9933 -15.8946 -15.6873 -15.6745 0.1775 0.2652 9.4411 9.4599 10.1255 10.1905 10.2274 10.2447 14.8940 14.9360 16.2901 16.3489 16.7290 16.7536 19.7132 19.7310 19.8217 19.8534 k = 0.5640 0.1039 0.3087 ( 1014 PWs) bands (ev): -40.1840 -40.1840 -17.9281 -17.8638 -15.9960 -15.8926 -15.6941 -15.6796 0.1868 0.2774 9.4120 9.4304 10.1641 10.2327 10.2628 10.2810 14.7968 14.8377 16.2741 16.3341 16.7479 16.7717 19.7147 19.7413 19.8331 19.8574 k = 0.5671 0.0951 0.3137 ( 1014 PWs) bands (ev): -40.1834 -40.1834 -17.9305 -17.8643 -15.9987 -15.8907 -15.7010 -15.6846 0.1962 0.2895 9.3826 9.4006 10.2044 10.2763 10.2995 10.3184 14.6998 14.7398 16.2593 16.3206 16.7669 16.7897 19.7132 19.7499 19.8426 19.8583 k = 0.5701 0.0863 0.3186 ( 1014 PWs) bands (ev): -40.1828 -40.1828 -17.9330 -17.8648 -16.0013 -15.8889 -15.7079 -15.6896 0.2056 0.3015 9.3529 9.3705 10.2464 10.3203 10.3383 10.3567 14.6036 14.6426 16.2460 16.3084 16.7857 16.8074 19.7087 19.7564 19.8499 19.8561 k = 0.5732 0.0774 0.3236 ( 1014 PWs) bands (ev): -40.1822 -40.1822 -17.9353 -17.8655 -16.0039 -15.8871 -15.7148 -15.6944 0.2149 0.3131 9.3230 9.3402 10.2899 10.3626 10.3812 10.3959 14.5085 14.5466 16.2342 16.2978 16.8042 16.8246 19.7011 19.7606 19.8509 19.8550 k = 0.5762 0.0686 0.3286 ( 1014 PWs) bands (ev): -40.1816 -40.1816 -17.9377 -17.8663 -16.0063 -15.8854 -15.7216 -15.6992 0.2241 0.3245 9.2931 9.3099 10.3345 10.4023 10.4285 10.4360 14.4149 14.4521 16.2242 16.2888 16.8221 16.8409 19.6908 19.7626 19.8428 19.8578 k = 0.5793 0.0598 0.3336 ( 1016 PWs) bands (ev): -40.1811 -40.1811 -17.9399 -17.8671 -16.0088 -15.8838 -15.7282 -15.7037 0.2332 0.3355 9.2632 9.2795 10.3799 10.4408 10.4770 10.4788 14.3231 14.3595 16.2161 16.2818 16.8391 16.8562 19.6777 19.7620 19.8320 19.8581 k = 0.5823 0.0510 0.3385 ( 1016 PWs) bands (ev): -40.1805 -40.1805 -17.9421 -17.8681 -16.0111 -15.8824 -15.7347 -15.7082 0.2421 0.3462 9.2334 9.2492 10.4257 10.4786 10.5190 10.5309 14.2336 14.2692 16.2101 16.2768 16.8550 16.8702 19.6621 19.7587 19.8188 19.8558 k = 0.5854 0.0422 0.3435 ( 1016 PWs) bands (ev): -40.1799 -40.1799 -17.9442 -17.8691 -16.0134 -15.8811 -15.7410 -15.7124 0.2508 0.3563 9.2037 9.2190 10.4714 10.5161 10.5620 10.5843 14.1468 14.1816 16.2062 16.2740 16.8696 16.8827 19.6444 19.7528 19.8035 19.8509 k = 0.5884 0.0334 0.3485 ( 1017 PWs) bands (ev): -40.1794 -40.1794 -17.9463 -17.8702 -16.0155 -15.8800 -15.7470 -15.7164 0.2591 0.3660 9.1743 9.1890 10.5163 10.5532 10.6063 10.6386 14.0630 14.0971 16.2047 16.2734 16.8825 16.8934 19.6249 19.7440 19.7864 19.8434 k = 0.5915 0.0246 0.3535 ( 1017 PWs) bands (ev): -40.1789 -40.1789 -17.9482 -17.8714 -16.0175 -15.8792 -15.7526 -15.7202 0.2672 0.3751 9.1450 9.1593 10.5601 10.5898 10.6519 10.6933 13.9827 14.0161 16.2056 16.2752 16.8934 16.9020 19.6039 19.7325 19.7679 19.8331 k = 0.5945 0.0158 0.3585 ( 1015 PWs) bands (ev): -40.1783 -40.1783 -17.9500 -17.8725 -16.0194 -15.8786 -15.7578 -15.7238 0.2749 0.3837 9.1161 9.1299 10.6021 10.6257 10.6987 10.7481 13.9064 13.9390 16.2091 16.2796 16.9023 16.9083 19.5820 19.7183 19.7482 19.8201 k = 0.5976 0.0070 0.3634 ( 1015 PWs) bands (ev): -40.1778 -40.1778 -17.9518 -17.8738 -16.0212 -15.8783 -15.7625 -15.7271 0.2822 0.3916 9.0875 9.1007 10.6423 10.6608 10.7463 10.8025 13.8345 13.8665 16.2152 16.2865 16.9087 16.9121 19.5595 19.7018 19.7275 19.8043 k = 0.6006-0.0018 0.3684 ( 1015 PWs) bands (ev): -40.1773 -40.1773 -17.9533 -17.8751 -16.0228 -15.8783 -15.7667 -15.7301 0.2890 0.3989 9.0593 9.0720 10.6805 10.6949 10.7941 10.8560 13.7677 13.7989 16.2240 16.2962 16.9125 16.9132 19.5368 19.6832 19.7059 19.7860 k = 0.6037-0.0106 0.3734 ( 1009 PWs) bands (ev): -40.1767 -40.1767 -17.9548 -17.8763 -16.0242 -15.8787 -15.7703 -15.7329 0.2954 0.4056 9.0314 9.0436 10.7168 10.7279 10.8416 10.9080 13.7064 13.7367 16.2357 16.3086 16.9114 16.9136 19.5145 19.6630 19.6837 19.7651 k = 0.6067-0.0194 0.3784 ( 1013 PWs) bands (ev): -40.1764 -40.1764 -17.9561 -17.8776 -16.0255 -15.8795 -15.7732 -15.7354 0.3013 0.4115 9.0039 9.0156 10.7510 10.7597 10.8879 10.9580 13.6511 13.6805 16.2501 16.3237 16.9066 16.9117 19.4929 19.6406 19.6617 19.7417 k = 0.6098-0.0282 0.3834 ( 1013 PWs) bands (ev): -40.1760 -40.1760 -17.9573 -17.8789 -16.0266 -15.8807 -15.7755 -15.7376 0.3068 0.4167 8.9769 8.9881 10.7832 10.7900 10.9323 11.0053 13.6026 13.6309 16.2674 16.3416 16.8987 16.9067 19.4724 19.6155 19.6412 19.7161 k = 0.6128-0.0370 0.3883 ( 1013 PWs) bands (ev): -40.1757 -40.1757 -17.9583 -17.8802 -16.0275 -15.8823 -15.7771 -15.7395 0.3116 0.4212 8.9502 8.9610 10.8135 10.8188 10.9742 11.0493 13.5613 13.5883 16.2875 16.3623 16.8878 16.8988 19.4533 19.5874 19.6229 19.6884 k = 0.6159-0.0458 0.3933 ( 1013 PWs) bands (ev): -40.1754 -40.1754 -17.9591 -17.8814 -16.0281 -15.8842 -15.7780 -15.7411 0.3160 0.4250 8.9240 8.9343 10.8416 10.8459 11.0127 11.0892 13.5278 13.5532 16.3105 16.3857 16.8739 16.8879 19.4359 19.5566 19.6070 19.6590 k = 0.6189-0.0546 0.3983 ( 1013 PWs) bands (ev): -40.1751 -40.1751 -17.9597 -17.8826 -16.0286 -15.8864 -15.7784 -15.7424 0.3197 0.4280 8.8981 8.9080 10.8676 10.8712 11.0473 11.1244 13.5025 13.5261 16.3362 16.4119 16.8572 16.8742 19.4203 19.5237 19.5935 19.6283 k = 0.6220-0.0634 0.4033 ( 1013 PWs) bands (ev): -40.1749 -40.1749 -17.9602 -17.8838 -16.0287 -15.8888 -15.7782 -15.7435 0.3229 0.4303 8.8727 8.8822 10.8914 10.8945 11.0773 11.1545 13.4857 13.5071 16.3645 16.4405 16.8381 16.8579 19.4064 19.4891 19.5825 19.5968 k = 0.6250-0.0722 0.4082 ( 1011 PWs) bands (ev): -40.1747 -40.1747 -17.9604 -17.8849 -16.0287 -15.8914 -15.7774 -15.7442 0.3255 0.4317 8.8477 8.8568 10.9129 10.9158 11.1025 11.1790 13.4775 13.4964 16.3953 16.4716 16.8169 16.8396 19.3938 19.4530 19.5653 19.5742 k = 0.6250-0.0722 0.4082 ( 1011 PWs) bands (ev): -40.1747 -40.1747 -17.9604 -17.8849 -16.0287 -15.8914 -15.7774 -15.7442 0.3255 0.4317 8.8477 8.8568 10.9129 10.9158 11.1025 11.1790 13.4775 13.4964 16.3953 16.4716 16.8169 16.8396 19.3938 19.4530 19.5653 19.5742 k = 0.6198-0.0692 0.4168 ( 1012 PWs) bands (ev): -40.1747 -40.1747 -17.9604 -17.8848 -16.0287 -15.8913 -15.7776 -15.7443 0.3256 0.4319 8.8490 8.8581 10.9014 10.9153 11.1073 11.1840 13.4779 13.4970 16.3853 16.4638 16.8202 16.8517 19.3722 19.4688 19.5327 19.6146 k = 0.6146-0.0662 0.4253 ( 1014 PWs) bands (ev): -40.1748 -40.1748 -17.9605 -17.8848 -16.0286 -15.8910 -15.7780 -15.7447 0.3258 0.4324 8.8528 8.8619 10.8796 10.9035 11.1207 11.1975 13.4790 13.4989 16.3578 16.4410 16.8346 16.8797 19.3349 19.4608 19.5372 19.6611 k = 0.6094-0.0631 0.4338 ( 1014 PWs) bands (ev): -40.1747 -40.1747 -17.9607 -17.8847 -16.0285 -15.8905 -15.7788 -15.7452 0.3262 0.4332 8.8591 8.8684 10.8518 10.8820 11.1397 11.2165 13.4809 13.5021 16.3184 16.4059 16.8604 16.9158 19.2956 19.4234 19.5756 19.7087 k = 0.6042-0.0601 0.4423 ( 1012 PWs) bands (ev): -40.1746 -40.1746 -17.9609 -17.8846 -16.0284 -15.8899 -15.7798 -15.7460 0.3267 0.4343 8.8679 8.8773 10.8206 10.8540 11.1617 11.2382 13.4835 13.5065 16.2715 16.3623 16.8938 16.9556 19.2567 19.3825 19.6199 19.7570 k = 0.5990-0.0571 0.4508 ( 1012 PWs) bands (ev): -40.1746 -40.1746 -17.9612 -17.8845 -16.0282 -15.8891 -15.7811 -15.7470 0.3274 0.4357 8.8790 8.8886 10.7871 10.8219 11.1848 11.2608 13.4867 13.5121 16.2199 16.3131 16.9315 16.9970 19.2188 19.3417 19.6658 19.8055 k = 0.5938-0.0541 0.4593 ( 1010 PWs) bands (ev): -40.1745 -40.1745 -17.9616 -17.8843 -16.0280 -15.8881 -15.7826 -15.7481 0.3283 0.4374 8.8924 8.9023 10.7524 10.7873 11.2078 11.2832 13.4904 13.5188 16.1656 16.2607 16.9712 17.0384 19.1822 19.3019 19.7124 19.8541 k = 0.5885-0.0511 0.4678 ( 1010 PWs) bands (ev): -40.1744 -40.1744 -17.9620 -17.8841 -16.0278 -15.8869 -15.7844 -15.7495 0.3292 0.4393 8.9080 8.9181 10.7171 10.7513 11.2300 11.3047 13.4947 13.5264 16.1099 16.2066 17.0114 17.0790 19.1470 19.2632 19.7589 19.9023 k = 0.5833-0.0481 0.4763 ( 1016 PWs) bands (ev): -40.1745 -40.1745 -17.9624 -17.8839 -16.0276 -15.8855 -15.7864 -15.7511 0.3303 0.4415 8.9255 8.9360 10.6817 10.7145 11.2510 11.3248 13.4993 13.5349 16.0537 16.1520 17.0511 17.1182 19.1134 19.2257 19.8049 19.9498 k = 0.5781-0.0451 0.4848 ( 1010 PWs) bands (ev): -40.1742 -40.1742 -17.9629 -17.8837 -16.0273 -15.8840 -15.7886 -15.7527 0.3315 0.4438 8.9449 8.9556 10.6464 10.6775 11.2704 11.3432 13.5041 13.5441 15.9978 16.0976 17.0899 17.1556 19.0815 19.1896 19.8502 19.9965 k = 0.5729-0.0421 0.4933 ( 1010 PWs) bands (ev): -40.1741 -40.1741 -17.9634 -17.8835 -16.0270 -15.8823 -15.7910 -15.7545 0.3327 0.4462 8.9658 8.9769 10.6116 10.6407 11.2881 11.3597 13.5091 13.5539 15.9428 16.0443 17.1272 17.1910 19.0512 19.1549 19.8943 20.0419 k = 0.5677-0.0391 0.5018 ( 1012 PWs) bands (ev): -40.1741 -40.1741 -17.9639 -17.8833 -16.0268 -15.8805 -15.7936 -15.7565 0.3340 0.4488 8.9881 8.9995 10.5777 10.6046 11.3040 11.3744 13.5140 13.5638 15.8893 15.9926 17.1628 17.2239 19.0228 19.1217 19.9369 20.0857 k = 0.5625-0.0361 0.5103 ( 1012 PWs) bands (ev): -40.1740 -40.1740 -17.9645 -17.8831 -16.0266 -15.8785 -15.7963 -15.7585 0.3354 0.4514 9.0114 9.0231 10.5448 10.5695 11.3181 11.3871 13.5187 13.5738 15.8380 15.9431 17.1964 17.2544 18.9964 19.0902 19.9776 20.1275 k = 0.5573-0.0331 0.5188 ( 1014 PWs) bands (ev): -40.1740 -40.1740 -17.9650 -17.8828 -16.0264 -15.8763 -15.7991 -15.7605 0.3368 0.4540 9.0354 9.0474 10.5133 10.5357 11.3303 11.3980 13.5230 13.5836 15.7893 15.8963 17.2278 17.2822 18.9720 19.0604 20.0161 20.1671 k = 0.5521-0.0301 0.5273 ( 1014 PWs) bands (ev): -40.1739 -40.1739 -17.9656 -17.8826 -16.0262 -15.8740 -15.8020 -15.7625 0.3382 0.4566 9.0597 9.0721 10.4835 10.5035 11.3409 11.4070 13.5268 13.5929 15.7436 15.8527 17.2568 17.3072 18.9497 19.0325 20.0521 20.2041 k = 0.5469-0.0271 0.5358 ( 1024 PWs) bands (ev): -40.1741 -40.1741 -17.9662 -17.8825 -16.0260 -15.8716 -15.8051 -15.7646 0.3396 0.4592 9.0839 9.0965 10.4555 10.4733 11.3497 11.4144 13.5299 13.6014 15.7015 15.8126 17.2834 17.3294 18.9296 19.0065 20.0852 20.2383 k = 0.5417-0.0241 0.5443 ( 1024 PWs) bands (ev): -40.1740 -40.1740 -17.9667 -17.8823 -16.0259 -15.8691 -15.8082 -15.7665 0.3410 0.4616 9.1075 9.1204 10.4297 10.4454 11.3570 11.4203 13.5321 13.6089 15.6633 15.7764 17.3074 17.3487 18.9119 18.9827 20.1153 20.2694 k = 0.5365-0.0210 0.5528 ( 1024 PWs) bands (ev): -40.1739 -40.1739 -17.9672 -17.8822 -16.0258 -15.8665 -15.8113 -15.7683 0.3423 0.4639 9.1301 9.1432 10.4064 10.4201 11.3630 11.4249 13.5335 13.6152 15.6295 15.7445 17.3287 17.3650 18.8966 18.9612 20.1422 20.2971 k = 0.5312-0.0180 0.5613 ( 1030 PWs) bands (ev): -40.1740 -40.1740 -17.9677 -17.8821 -16.0258 -15.8638 -15.8145 -15.7700 0.3435 0.4660 9.1511 9.1643 10.3857 10.3978 11.3677 11.4284 13.5340 13.6202 15.6001 15.7169 17.3473 17.3784 18.8837 18.9421 20.1656 20.3213 k = 0.5260-0.0150 0.5698 ( 1028 PWs) bands (ev): -40.1739 -40.1739 -17.9681 -17.8819 -16.0257 -15.8611 -15.8176 -15.7715 0.3445 0.4679 9.1700 9.1832 10.3680 10.3787 11.3713 11.4309 13.5337 13.6239 15.5755 15.6938 17.3631 17.3889 18.8733 18.9256 20.1854 20.3419 k = 0.5208-0.0120 0.5784 ( 1027 PWs) bands (ev): -40.1738 -40.1738 -17.9684 -17.8819 -16.0257 -15.8585 -15.8206 -15.7728 0.3455 0.4695 9.1863 9.1995 10.3534 10.3630 11.3741 11.4326 13.5327 13.6263 15.5556 15.6753 17.3761 17.3967 18.8651 18.9119 20.2016 20.3586 k = 0.5156-0.0090 0.5869 ( 1031 PWs) bands (ev): -40.1738 -40.1738 -17.9687 -17.8818 -16.0258 -15.8560 -15.8235 -15.7738 0.3462 0.4709 9.1995 9.2127 10.3420 10.3510 11.3760 11.4338 13.5313 13.6275 15.5405 15.6612 17.3864 17.4019 18.8592 18.9010 20.2140 20.3716 k = 0.5104-0.0060 0.5954 ( 1036 PWs) bands (ev): -40.1739 -40.1739 -17.9690 -17.8818 -16.0258 -15.8538 -15.8259 -15.7746 0.3468 0.4718 9.2093 9.2224 10.3340 10.3426 11.3773 11.4345 13.5297 13.6279 15.5300 15.6515 17.3938 17.4048 18.8553 18.8932 20.2228 20.3807 k = 0.5052-0.0030 0.6039 ( 1036 PWs) bands (ev): -40.1739 -40.1739 -17.9691 -17.8818 -16.0258 -15.8522 -15.8276 -15.7750 0.3472 0.4724 9.2153 9.2283 10.3293 10.3377 11.3780 11.4349 13.5284 13.6277 15.5240 15.6459 17.3986 17.4060 18.8531 18.8885 20.2280 20.3861 k = 0.5000-0.0000 0.6124 ( 1036 PWs) bands (ev): -40.1739 -40.1739 -17.9692 -17.8817 -16.0259 -15.8516 -15.8282 -15.7752 0.3473 0.4727 9.2173 9.2303 10.3277 10.3361 11.3783 11.4351 13.5279 13.6276 15.5221 15.6441 17.4003 17.4062 18.8524 18.8870 20.2297 20.3879 k = 0.5000-0.0000 0.6124 ( 1036 PWs) bands (ev): -40.1739 -40.1739 -17.9692 -17.8817 -16.0259 -15.8516 -15.8282 -15.7752 0.3473 0.4727 9.2173 9.2303 10.3277 10.3361 11.3783 11.4351 13.5279 13.6276 15.5221 15.6441 17.4003 17.4062 18.8524 18.8870 20.2297 20.3879 k = 0.5000 0.0061 0.6037 ( 1036 PWs) bands (ev): -40.1739 -40.1739 -17.9691 -17.8817 -16.0258 -15.8517 -15.8280 -15.7749 0.3470 0.4723 9.2178 9.2309 10.3259 10.3342 11.3777 11.4348 13.5288 13.6278 15.5240 15.6458 17.3973 17.4058 18.8548 18.8911 20.2289 20.3870 k = 0.5000 0.0123 0.5950 ( 1036 PWs) bands (ev): -40.1740 -40.1740 -17.9689 -17.8815 -16.0258 -15.8519 -15.8274 -15.7743 0.3462 0.4714 9.2194 9.2330 10.3202 10.3286 11.3757 11.4338 13.5316 13.6286 15.5297 15.6506 17.3900 17.4032 18.8621 18.9032 20.2268 20.3845 k = 0.5000 0.0184 0.5863 ( 1032 PWs) bands (ev): -40.1740 -40.1740 -17.9685 -17.8813 -16.0256 -15.8523 -15.8263 -15.7732 0.3448 0.4698 9.2220 9.2364 10.3110 10.3194 11.3722 11.4318 13.5365 13.6304 15.5391 15.6586 17.3793 17.3977 18.8748 18.9224 20.2232 20.3803 k = 0.5000 0.0246 0.5776 ( 1028 PWs) bands (ev): -40.1740 -40.1740 -17.9680 -17.8809 -16.0255 -15.8528 -15.8247 -15.7716 0.3428 0.4676 9.2257 9.2411 10.2986 10.3069 11.3668 11.4284 13.5439 13.6335 15.5519 15.6695 17.3658 17.3891 18.8930 18.9479 20.2181 20.3744 k = 0.5000 0.0307 0.5689 ( 1026 PWs) bands (ev): -40.1741 -40.1741 -17.9673 -17.8804 -16.0252 -15.8536 -15.8226 -15.7697 0.3403 0.4648 9.2304 9.2471 10.2832 10.2915 11.3590 11.4229 13.5544 13.6388 15.5678 15.6831 17.3498 17.3775 18.9164 18.9789 20.2116 20.3668 k = 0.5000 0.0369 0.5603 ( 1026 PWs) bands (ev): -40.1743 -40.1743 -17.9665 -17.8798 -16.0249 -15.8545 -15.8200 -15.7675 0.3373 0.4613 9.2363 9.2543 10.2652 10.2736 11.3482 11.4148 13.5683 13.6469 15.5864 15.6992 17.3317 17.3633 18.9449 19.0146 20.2037 20.3576 k = 0.5000 0.0430 0.5516 ( 1022 PWs) bands (ev): -40.1744 -40.1744 -17.9656 -17.8792 -16.0246 -15.8557 -15.8168 -15.7649 0.3337 0.4573 9.2432 9.2627 10.2451 10.2535 11.3340 11.4035 13.5862 13.6586 15.6074 15.7175 17.3117 17.3467 18.9778 19.0544 20.1944 20.3468 k = 0.5000 0.0491 0.5429 ( 1022 PWs) bands (ev): -40.1747 -40.1747 -17.9645 -17.8785 -16.0241 -15.8570 -15.8131 -15.7621 0.3296 0.4526 9.2512 9.2723 10.2233 10.2317 11.3160 11.3883 13.6087 13.6747 15.6304 15.7376 17.2902 17.3279 19.0147 19.0976 20.1837 20.3344 k = 0.5000 0.0553 0.5342 ( 1022 PWs) bands (ev): -40.1751 -40.1751 -17.9634 -17.8777 -16.0235 -15.8585 -15.8090 -15.7589 0.3249 0.4473 9.2602 9.2829 10.2002 10.2086 11.2939 11.3687 13.6360 13.6959 15.6551 15.7594 17.2673 17.3074 19.0549 19.1435 20.1718 20.3205 k = 0.5000 0.0614 0.5255 ( 1020 PWs) bands (ev): -40.1754 -40.1754 -17.9620 -17.8768 -16.0229 -15.8601 -15.8044 -15.7556 0.3198 0.4414 9.2702 9.2946 10.1762 10.1846 11.2673 11.3446 13.6687 13.7227 15.6811 15.7826 17.2433 17.2853 19.0977 19.1915 20.1585 20.3051 k = 0.5000 0.0676 0.5168 ( 1020 PWs) bands (ev): -40.1758 -40.1758 -17.9606 -17.8759 -16.0221 -15.8619 -15.7993 -15.7519 0.3142 0.4349 9.2812 9.3074 10.1516 10.1601 11.2364 11.3156 13.7068 13.7555 15.7081 15.8068 17.2185 17.2620 19.1425 19.2408 20.1440 20.2882 k = 0.5000 0.0737 0.5081 ( 1020 PWs) bands (ev): -40.1762 -40.1762 -17.9591 -17.8750 -16.0212 -15.8637 -15.7939 -15.7481 0.3081 0.4278 9.2931 9.3211 10.1267 10.1354 11.2010 11.2818 13.7503 13.7945 15.7358 15.8320 17.1929 17.2376 19.1886 19.2908 20.1283 20.2700 k = 0.5000 0.0798 0.4995 ( 1022 PWs) bands (ev): -40.1767 -40.1767 -17.9574 -17.8740 -16.0202 -15.8655 -15.7882 -15.7441 0.3016 0.4202 9.3060 9.3357 10.1019 10.1107 11.1616 11.2434 13.7993 13.8399 15.7641 15.8579 17.1668 17.2124 19.2354 19.3410 20.1115 20.2504 k = 0.5000 0.0860 0.4908 ( 1018 PWs) bands (ev): -40.1771 -40.1771 -17.9557 -17.8730 -16.0191 -15.8674 -15.7821 -15.7399 0.2946 0.4120 9.3197 9.3512 10.0774 10.0863 11.1182 11.2006 13.8535 13.8915 15.7928 15.8843 17.1402 17.1865 19.2823 19.3908 20.0936 20.2295 k = 0.5000 0.0921 0.4821 ( 1020 PWs) bands (ev): -40.1776 -40.1776 -17.9538 -17.8721 -16.0178 -15.8694 -15.7757 -15.7356 0.2872 0.4033 9.3341 9.3674 10.0533 10.0625 11.0714 11.1538 13.9128 13.9491 15.8217 15.9112 17.1132 17.1600 19.3287 19.4396 20.0747 20.2075 k = 0.5000 0.0983 0.4734 ( 1020 PWs) bands (ev): -40.1782 -40.1782 -17.9518 -17.8711 -16.0164 -15.8714 -15.7691 -15.7311 0.2794 0.3941 9.3494 9.3844 10.0299 10.0393 11.0215 11.1035 13.9770 14.0123 15.8508 15.9384 17.0860 17.1332 19.3740 19.4868 20.0549 20.1843 k = 0.5000 0.1044 0.4647 ( 1020 PWs) bands (ev): -40.1787 -40.1787 -17.9498 -17.8701 -16.0148 -15.8734 -15.7623 -15.7265 0.2713 0.3844 9.3653 9.4021 10.0073 10.0171 10.9690 11.0501 14.0457 14.0808 15.8800 15.9658 17.0587 17.1061 19.4177 19.5320 20.0343 20.1601 k = 0.5000 0.1106 0.4560 ( 1024 PWs) bands (ev): -40.1794 -40.1794 -17.9477 -17.8692 -16.0132 -15.8754 -15.7553 -15.7217 0.2629 0.3742 9.3818 9.4203 9.9856 9.9959 10.9144 10.9942 14.1186 14.1541 15.9091 15.9934 17.0312 17.0788 19.4593 19.5746 20.0129 20.1350 k = 0.5000 0.1167 0.4473 ( 1024 PWs) bands (ev): -40.1800 -40.1800 -17.9455 -17.8683 -16.0114 -15.8775 -15.7482 -15.7168 0.2541 0.3636 9.3989 9.4391 9.9649 9.9757 10.8581 10.9363 14.1954 14.2316 15.9383 16.0212 17.0036 17.0514 19.4984 19.6143 19.9909 20.1091 k = 0.5000 0.1228 0.4386 ( 1024 PWs) bands (ev): -40.1806 -40.1806 -17.9433 -17.8674 -16.0094 -15.8795 -15.7410 -15.7118 0.2452 0.3526 9.4165 9.4583 9.9454 9.9568 10.8007 10.8769 14.2757 14.3129 15.9674 16.0491 16.9761 17.0240 19.5346 19.6506 19.9684 20.0824 k = 0.5000 0.1290 0.4300 ( 1024 PWs) bands (ev): -40.1812 -40.1812 -17.9409 -17.8666 -16.0074 -15.8816 -15.7336 -15.7068 0.2360 0.3413 9.4345 9.4779 9.9270 9.9391 10.7426 10.8165 14.3593 14.3976 15.9965 16.0770 16.9488 16.9967 19.5675 19.6833 19.9455 20.0551 k = 0.5000 0.1351 0.4213 ( 1026 PWs) bands (ev): -40.1818 -40.1818 -17.9386 -17.8658 -16.0053 -15.8836 -15.7262 -15.7016 0.2267 0.3296 9.4529 9.4977 9.9098 9.9227 10.6841 10.7556 14.4456 14.4852 16.0255 16.1051 16.9215 16.9695 19.5968 19.7118 19.9224 20.0272 k = 0.5000 0.1413 0.4126 ( 1028 PWs) bands (ev): -40.1825 -40.1825 -17.9362 -17.8652 -16.0030 -15.8857 -15.7189 -15.6964 0.2172 0.3176 9.4715 9.5177 9.8938 9.9076 10.6257 10.6945 14.5344 14.5751 16.0545 16.1331 16.8945 16.9425 19.6222 19.7358 19.8994 19.9990 k = 0.5000 0.1474 0.4039 ( 1028 PWs) bands (ev): -40.1831 -40.1831 -17.9337 -17.8646 -16.0007 -15.8878 -15.7115 -15.6912 0.2076 0.3054 9.4902 9.5379 9.8790 9.8938 10.5677 10.6338 14.6251 14.6671 16.0835 16.1613 16.8678 16.9159 19.6436 19.7549 19.8770 19.9705 k = 0.5000 0.1536 0.3952 ( 1026 PWs) bands (ev): -40.1837 -40.1837 -17.9312 -17.8640 -15.9983 -15.8898 -15.7041 -15.6859 0.1981 0.2930 9.5091 9.5580 9.8655 9.8813 10.5105 10.5736 14.7174 14.7607 16.1124 16.1894 16.8416 16.8896 19.6608 19.7684 19.8558 19.9418 k = 0.5000 0.1597 0.3865 ( 1026 PWs) bands (ev): -40.1843 -40.1843 -17.9287 -17.8636 -15.9958 -15.8919 -15.6969 -15.6806 0.1885 0.2805 9.5279 9.5781 9.8532 9.8701 10.4544 10.5144 14.8109 14.8554 16.1413 16.2176 16.8158 16.8638 19.6735 19.7748 19.8373 19.9131 k = 0.5000 0.1658 0.3778 ( 1022 PWs) bands (ev): -40.1848 -40.1848 -17.9261 -17.8633 -15.9932 -15.8940 -15.6897 -15.6754 0.1791 0.2679 9.5466 9.5979 9.8420 9.8601 10.3996 10.4564 14.9052 14.9508 16.1701 16.2457 16.7906 16.8386 19.6819 19.7719 19.8242 19.8844 k = 0.5000 0.1720 0.3692 ( 1018 PWs) bands (ev): -40.1852 -40.1852 -17.9236 -17.8630 -15.9906 -15.8961 -15.6827 -15.6701 0.1698 0.2553 9.5651 9.6175 9.8320 9.8514 10.3465 10.4000 14.9998 15.0465 16.1988 16.2737 16.7661 16.8141 19.6856 19.7599 19.8164 19.8560 k = 0.5000 0.1781 0.3605 ( 1020 PWs) bands (ev): -40.1859 -40.1859 -17.9210 -17.8629 -15.9879 -15.8982 -15.6758 -15.6649 0.1606 0.2427 9.5832 9.6366 9.8231 9.8438 10.2952 10.3453 15.0942 15.1419 16.2274 16.3016 16.7424 16.7903 19.6847 19.7432 19.8101 19.8279 k = 0.5000 0.1843 0.3518 ( 1020 PWs) bands (ev): -40.1864 -40.1864 -17.9185 -17.8629 -15.9852 -15.9003 -15.6692 -15.6598 0.1517 0.2302 9.6009 9.6552 9.8153 9.8374 10.2459 10.2927 15.1880 15.2367 16.2557 16.3293 16.7197 16.7674 19.6789 19.7255 19.7995 19.8030 k = 0.5000 0.1904 0.3431 ( 1016 PWs) bands (ev): -40.1868 -40.1868 -17.9159 -17.8630 -15.9825 -15.9025 -15.6628 -15.6548 0.1431 0.2178 9.6180 9.6731 9.8086 9.8321 10.1989 10.2422 15.2808 15.3303 16.2838 16.3567 16.6980 16.7456 19.6685 19.7084 19.7730 19.7919 k = 0.5000 0.1965 0.3344 ( 1016 PWs) bands (ev): -40.1874 -40.1874 -17.9133 -17.8632 -15.9797 -15.9046 -15.6566 -15.6499 0.1349 0.2057 9.6343 9.6902 9.8028 9.8278 10.1543 10.1941 15.3720 15.4221 16.3115 16.3837 16.6775 16.7250 19.6543 19.6920 19.7466 19.7785 k = 0.5000 0.2027 0.3257 ( 1018 PWs) bands (ev): -40.1879 -40.1879 -17.9108 -17.8636 -15.9769 -15.9068 -15.6507 -15.6452 0.1270 0.1938 9.6498 9.7062 9.7981 9.8245 10.1123 10.1485 15.4610 15.5115 16.3387 16.4102 16.6585 16.7058 19.6378 19.6755 19.7210 19.7623 k = 0.5000 0.2088 0.3170 ( 1018 PWs) bands (ev): -40.1884 -40.1884 -17.9083 -17.8640 -15.9741 -15.9089 -15.6451 -15.6407 0.1196 0.1823 9.6641 9.7210 9.7946 9.8223 10.0731 10.1057 15.5472 15.5980 16.3652 16.4361 16.6411 16.6880 19.6204 19.6584 19.6964 19.7438 k = 0.5000 0.2150 0.3084 ( 1018 PWs) bands (ev): -40.1889 -40.1889 -17.9058 -17.8646 -15.9714 -15.9111 -15.6399 -15.6363 0.1127 0.1711 9.6773 9.7339 9.7925 9.8211 10.0367 10.0658 15.6301 15.6808 16.3909 16.4611 16.6255 16.6721 19.6031 19.6404 19.6727 19.7233 k = 0.5000 0.2211 0.2997 ( 1018 PWs) bands (ev): -40.1893 -40.1893 -17.9033 -17.8652 -15.9686 -15.9133 -15.6349 -15.6322 0.1064 0.1603 9.6890 9.7443 9.7923 9.8208 10.0035 10.0289 15.7090 15.7592 16.4157 16.4852 16.6121 16.6580 19.5862 19.6217 19.6502 19.7013 k = 0.5000 0.2273 0.2910 ( 1018 PWs) bands (ev): -40.1897 -40.1897 -17.9009 -17.8660 -15.9658 -15.9156 -15.6304 -15.6283 0.1007 0.1501 9.6991 9.7513 9.7947 9.8214 9.9733 9.9952 15.7831 15.8323 16.4392 16.5080 16.6010 16.6461 19.5703 19.6027 19.6288 19.6784 k = 0.5000 0.2334 0.2823 ( 1010 PWs) bands (ev): -40.1898 -40.1898 -17.8985 -17.8669 -15.9630 -15.9178 -15.6262 -15.6247 0.0957 0.1404 9.7074 9.7547 9.7997 9.8229 9.9465 9.9649 15.8519 15.8995 16.4614 16.5292 16.5928 16.6366 19.5555 19.5839 19.6088 19.6551 k = 0.5000 0.2395 0.2736 ( 1010 PWs) bands (ev): -40.1901 -40.1901 -17.8962 -17.8679 -15.9603 -15.9201 -15.6225 -15.6214 0.0913 0.1313 9.7140 9.7552 9.8064 9.8251 9.9230 9.9381 15.9145 15.9598 16.4819 16.5483 16.5878 16.6296 19.5420 19.5658 19.5900 19.6319 k = 0.5000 0.2457 0.2649 ( 1010 PWs) bands (ev): -40.1904 -40.1904 -17.8939 -17.8690 -15.9576 -15.9224 -15.6191 -15.6184 0.0877 0.1229 9.7187 9.7539 9.8136 9.8278 9.9029 9.9150 15.9704 16.0125 16.5008 16.5639 16.5872 16.6250 19.5300 19.5490 19.5728 19.6093 k = 0.5000 0.2518 0.2562 ( 1006 PWs) bands (ev): -40.1905 -40.1905 -17.8916 -17.8702 -15.9548 -15.9247 -15.6162 -15.6158 0.0848 0.1151 9.7219 9.7514 9.8203 9.8307 9.8863 9.8958 16.0191 16.0571 16.5178 16.5731 16.5936 16.6230 19.5197 19.5340 19.5571 19.5880 k = 0.5000 0.2580 0.2476 ( 1010 PWs) bands (ev): -40.1909 -40.1909 -17.8894 -17.8715 -15.9522 -15.9270 -15.6138 -15.6135 0.0827 0.1081 9.7239 9.7481 9.8261 9.8333 9.8732 9.8805 16.0603 16.0933 16.5329 16.5774 16.6045 16.6232 19.5112 19.5211 19.5432 19.5682 k = 0.5000 0.2641 0.2389 ( 1012 PWs) bands (ev): -40.1911 -40.1911 -17.8873 -17.8729 -15.9495 -15.9294 -15.6117 -15.6116 0.0815 0.1018 9.7250 9.7442 9.8306 9.8352 9.8636 9.8690 16.0939 16.1211 16.5463 16.5807 16.6151 16.6251 19.5045 19.5107 19.5312 19.5506 k = 0.5000 0.2702 0.2302 ( 1010 PWs) bands (ev): -40.1912 -40.1912 -17.8852 -17.8744 -15.9469 -15.9318 -15.6102 -15.6101 0.0810 0.0964 9.7257 9.7401 9.8336 9.8359 9.8577 9.8612 16.1203 16.1411 16.5579 16.5832 16.6238 16.6282 19.4998 19.5032 19.5213 19.5355 k = 0.5000 0.2764 0.2215 ( 1008 PWs) bands (ev): -40.1913 -40.1912 -17.8832 -17.8760 -15.9443 -15.9343 -15.6090 -15.6090 0.0815 0.0917 9.7266 9.7362 9.8348 9.8356 9.8549 9.8569 16.1397 16.1537 16.5676 16.5844 16.6301 16.6314 19.4971 19.4985 19.5139 19.5233 k = 0.5000 0.2825 0.2128 ( 1008 PWs) bands (ev): -40.1913 -40.1913 -17.8813 -17.8777 -15.9417 -15.9367 -15.6084 -15.6084 0.0827 0.0879 9.7279 9.7327 9.8348 9.8349 9.8540 9.8549 16.1526 16.1596 16.5753 16.5837 16.6337 16.6339 19.4960 19.4962 19.5096 19.5144 k = 0.5000 0.2887 0.2041 ( 1008 PWs) bands (ev): -40.1913 -40.1913 -17.8795 -17.8795 -15.9392 -15.9392 -15.6081 -15.6081 0.0849 0.0849 9.7299 9.7299 9.8346 9.8346 9.8542 9.8542 16.1592 16.1592 16.5807 16.5807 16.6349 16.6349 19.4957 19.4957 19.5096 19.5096 k = 0.5000 0.2887 0.2041 ( 1008 PWs) bands (ev): -40.1913 -40.1913 -17.8795 -17.8795 -15.9392 -15.9392 -15.6081 -15.6081 0.0849 0.0849 9.7299 9.7299 9.8346 9.8346 9.8542 9.8542 16.1592 16.1592 16.5807 16.5807 16.6349 16.6349 19.4957 19.4957 19.5096 19.5096 k = 0.4970 0.2869 0.2141 ( 1008 PWs) bands (ev): -40.1913 -40.1913 -17.8813 -17.8777 -15.9417 -15.9367 -15.6084 -15.6084 0.0828 0.0878 9.7279 9.7327 9.8348 9.8348 9.8540 9.8549 16.1526 16.1596 16.5753 16.5837 16.6338 16.6338 19.4960 19.4961 19.5096 19.5144 k = 0.4939 0.2852 0.2240 ( 1008 PWs) bands (ev): -40.1913 -40.1913 -17.8832 -17.8761 -15.9443 -15.9343 -15.6090 -15.6090 0.0815 0.0916 9.7266 9.7361 9.8351 9.8353 9.8549 9.8568 16.1400 16.1539 16.5678 16.5844 16.6308 16.6308 19.4975 19.4979 19.5139 19.5231 k = 0.4909 0.2834 0.2340 ( 1010 PWs) bands (ev): -40.1912 -40.1912 -17.8852 -17.8745 -15.9468 -15.9319 -15.6101 -15.6101 0.0810 0.0962 9.7257 9.7399 9.8349 9.8353 9.8577 9.8606 16.1208 16.1414 16.5584 16.5830 16.6260 16.6262 19.5011 19.5015 19.5214 19.5351 k = 0.4878 0.2816 0.2440 ( 1014 PWs) bands (ev): -40.1912 -40.1912 -17.8873 -17.8730 -15.9495 -15.9295 -15.6117 -15.6116 0.0815 0.1017 9.7249 9.7434 9.8340 9.8347 9.8632 9.8669 16.0948 16.1217 16.5475 16.5798 16.6201 16.6207 19.5071 19.5072 19.5316 19.5499 k = 0.4848 0.2799 0.2539 ( 1011 PWs) bands (ev): -40.1909 -40.1909 -17.8894 -17.8716 -15.9521 -15.9271 -15.6137 -15.6134 0.0827 0.1079 9.7234 9.7456 9.8331 9.8348 9.8714 9.8759 16.0615 16.0942 16.5359 16.5748 16.6137 16.6151 19.5146 19.5158 19.5442 19.5673 k = 0.4817 0.2781 0.2639 ( 1011 PWs) bands (ev): -40.1907 -40.1907 -17.8915 -17.8703 -15.9547 -15.9248 -15.6161 -15.6157 0.0847 0.1148 9.7205 9.7451 9.8334 9.8370 9.8820 9.8873 16.0207 16.0583 16.5238 16.5679 16.6074 16.6104 19.5240 19.5266 19.5588 19.5867 k = 0.4787 0.2764 0.2738 ( 1013 PWs) bands (ev): -40.1905 -40.1905 -17.8938 -17.8691 -15.9574 -15.9225 -15.6189 -15.6183 0.0875 0.1225 9.7152 9.7408 9.8358 9.8429 9.8950 9.9009 15.9724 16.0139 16.5114 16.5589 16.6020 16.6077 19.5351 19.5394 19.5754 19.6078 k = 0.4756 0.2746 0.2838 ( 1011 PWs) bands (ev): -40.1902 -40.1902 -17.8960 -17.8680 -15.9601 -15.9202 -15.6222 -15.6213 0.0911 0.1308 9.7069 9.7323 9.8411 9.8528 9.9100 9.9167 15.9168 15.9612 16.4986 16.5478 16.5984 16.6075 19.5477 19.5538 19.5936 19.6303 k = 0.4726 0.2728 0.2937 ( 1009 PWs) bands (ev): -40.1898 -40.1898 -17.8984 -17.8670 -15.9629 -15.9179 -15.6258 -15.6245 0.0954 0.1398 9.6955 9.7201 9.8498 9.8666 9.9272 9.9346 15.8544 15.9007 16.4848 16.5348 16.5971 16.6099 19.5616 19.5695 19.6132 19.6537 k = 0.4695 0.2711 0.3037 ( 1007 PWs) bands (ev): -40.1894 -40.1894 -17.9007 -17.8661 -15.9656 -15.9157 -15.6299 -15.6281 0.1003 0.1494 9.6812 9.7048 9.8617 9.8837 9.9462 9.9544 15.7856 15.8332 16.4700 16.5202 16.5986 16.6149 19.5766 19.5859 19.6338 19.6777 k = 0.4665 0.2693 0.3137 ( 1009 PWs) bands (ev): -40.1890 -40.1890 -17.9031 -17.8653 -15.9684 -15.9135 -15.6343 -15.6320 0.1060 0.1595 9.6642 9.6869 9.8768 9.9038 9.9672 9.9762 15.7112 15.7594 16.4539 16.5044 16.6030 16.6221 19.5925 19.6027 19.6550 19.7016 k = 0.4634 0.2676 0.3236 ( 1015 PWs) bands (ev): -40.1888 -40.1888 -17.9056 -17.8646 -15.9712 -15.9113 -15.6391 -15.6361 0.1122 0.1701 9.6450 9.6670 9.8947 9.9265 9.9899 9.9997 15.6318 15.6801 16.4368 16.4876 16.6100 16.6314 19.6089 19.6196 19.6765 19.7252 k = 0.4604 0.2658 0.3336 ( 1013 PWs) bands (ev): -40.1883 -40.1883 -17.9080 -17.8641 -15.9739 -15.9091 -15.6442 -15.6404 0.1189 0.1811 9.6238 9.6453 9.9153 9.9517 10.0144 10.0250 15.5482 15.5962 16.4188 16.4703 16.6194 16.6425 19.6257 19.6363 19.6980 19.7480 k = 0.4573 0.2640 0.3435 ( 1013 PWs) bands (ev): -40.1878 -40.1878 -17.9105 -17.8636 -15.9767 -15.9070 -15.6497 -15.6450 0.1262 0.1925 9.6010 9.6220 9.9384 9.9792 10.0406 10.0520 15.4610 15.5085 16.4002 16.4524 16.6310 16.6553 19.6426 19.6522 19.7191 19.7696 k = 0.4543 0.2623 0.3535 ( 1013 PWs) bands (ev): -40.1873 -40.1873 -17.9130 -17.8633 -15.9795 -15.9049 -15.6554 -15.6496 0.1340 0.2042 9.5768 9.5974 9.9640 10.0090 10.0683 10.0806 15.3709 15.4176 16.3813 16.4344 16.6443 16.6694 19.6592 19.6671 19.7394 19.7895 k = 0.4512 0.2605 0.3634 ( 1013 PWs) bands (ev): -40.1868 -40.1868 -17.9155 -17.8631 -15.9823 -15.9027 -15.6614 -15.6545 0.1421 0.2161 9.5514 9.5716 9.9919 10.0411 10.0975 10.1108 15.2783 15.3242 16.3622 16.4165 16.6592 16.6847 19.6755 19.6805 19.7587 19.8074 k = 0.4482 0.2588 0.3734 ( 1012 PWs) bands (ev): -40.1862 -40.1862 -17.9181 -17.8630 -15.9851 -15.9007 -15.6676 -15.6594 0.1506 0.2283 9.5250 9.5448 10.0220 10.0753 10.1281 10.1423 15.1838 15.2288 16.3434 16.3987 16.6754 16.7010 19.6910 19.6922 19.7767 19.8230 k = 0.4451 0.2570 0.3834 ( 1014 PWs) bands (ev): -40.1857 -40.1857 -17.9206 -17.8630 -15.9879 -15.8986 -15.6740 -15.6644 0.1593 0.2405 9.4977 9.5172 10.0544 10.1117 10.1600 10.1752 15.0880 15.1320 16.3249 16.3814 16.6926 16.7180 19.7017 19.7056 19.7934 19.8360 k = 0.4421 0.2552 0.3933 ( 1014 PWs) bands (ev): -40.1852 -40.1852 -17.9231 -17.8632 -15.9906 -15.8966 -15.6806 -15.6695 0.1684 0.2529 9.4697 9.4888 10.0890 10.1501 10.1931 10.2094 14.9912 15.0342 16.3071 16.3647 16.7105 16.7356 19.7088 19.7190 19.8084 19.8462 k = 0.4390 0.2535 0.4033 ( 1014 PWs) bands (ev): -40.1846 -40.1846 -17.9256 -17.8634 -15.9933 -15.8946 -15.6873 -15.6745 0.1775 0.2652 9.4411 9.4599 10.1255 10.1905 10.2274 10.2447 14.8940 14.9360 16.2900 16.3489 16.7290 16.7536 19.7132 19.7310 19.8217 19.8534 k = 0.4360 0.2517 0.4132 ( 1014 PWs) bands (ev): -40.1840 -40.1840 -17.9281 -17.8638 -15.9960 -15.8926 -15.6941 -15.6796 0.1868 0.2774 9.4120 9.4304 10.1641 10.2327 10.2628 10.2810 14.7968 14.8377 16.2741 16.3341 16.7479 16.7717 19.7147 19.7413 19.8331 19.8574 k = 0.4329 0.2500 0.4232 ( 1014 PWs) bands (ev): -40.1834 -40.1834 -17.9305 -17.8643 -15.9987 -15.8907 -15.7010 -15.6846 0.1962 0.2895 9.3826 9.4006 10.2044 10.2763 10.2995 10.3184 14.6998 14.7398 16.2593 16.3206 16.7669 16.7897 19.7132 19.7499 19.8426 19.8583 k = 0.4299 0.2482 0.4331 ( 1014 PWs) bands (ev): -40.1828 -40.1828 -17.9330 -17.8648 -16.0013 -15.8889 -15.7079 -15.6896 0.2056 0.3015 9.3529 9.3705 10.2464 10.3203 10.3383 10.3567 14.6036 14.6426 16.2460 16.3084 16.7857 16.8074 19.7087 19.7564 19.8499 19.8561 k = 0.4268 0.2464 0.4431 ( 1014 PWs) bands (ev): -40.1822 -40.1822 -17.9353 -17.8655 -16.0039 -15.8871 -15.7148 -15.6944 0.2149 0.3131 9.3230 9.3402 10.2899 10.3626 10.3812 10.3959 14.5085 14.5466 16.2342 16.2978 16.8042 16.8246 19.7011 19.7606 19.8509 19.8550 k = 0.4238 0.2447 0.4531 ( 1014 PWs) bands (ev): -40.1816 -40.1816 -17.9377 -17.8663 -16.0063 -15.8854 -15.7216 -15.6992 0.2241 0.3245 9.2931 9.3099 10.3345 10.4023 10.4285 10.4360 14.4149 14.4521 16.2242 16.2888 16.8221 16.8409 19.6908 19.7626 19.8428 19.8578 k = 0.4207 0.2429 0.4630 ( 1016 PWs) bands (ev): -40.1811 -40.1811 -17.9399 -17.8671 -16.0088 -15.8838 -15.7282 -15.7037 0.2332 0.3355 9.2632 9.2795 10.3799 10.4408 10.4770 10.4788 14.3231 14.3595 16.2161 16.2818 16.8391 16.8562 19.6777 19.7620 19.8320 19.8581 k = 0.4177 0.2411 0.4730 ( 1016 PWs) bands (ev): -40.1805 -40.1805 -17.9421 -17.8681 -16.0111 -15.8824 -15.7347 -15.7082 0.2421 0.3462 9.2334 9.2492 10.4257 10.4786 10.5190 10.5309 14.2336 14.2692 16.2101 16.2768 16.8550 16.8702 19.6621 19.7587 19.8188 19.8558 k = 0.4146 0.2394 0.4829 ( 1016 PWs) bands (ev): -40.1799 -40.1799 -17.9442 -17.8691 -16.0134 -15.8811 -15.7410 -15.7124 0.2508 0.3563 9.2037 9.2190 10.4714 10.5161 10.5620 10.5843 14.1468 14.1816 16.2062 16.2740 16.8696 16.8827 19.6444 19.7528 19.8035 19.8509 k = 0.4116 0.2376 0.4929 ( 1017 PWs) bands (ev): -40.1794 -40.1794 -17.9463 -17.8702 -16.0155 -15.8800 -15.7470 -15.7164 0.2591 0.3660 9.1743 9.1890 10.5163 10.5532 10.6063 10.6386 14.0630 14.0971 16.2047 16.2734 16.8825 16.8934 19.6249 19.7440 19.7864 19.8434 k = 0.4085 0.2359 0.5028 ( 1017 PWs) bands (ev): -40.1789 -40.1789 -17.9482 -17.8714 -16.0175 -15.8792 -15.7526 -15.7202 0.2672 0.3751 9.1450 9.1593 10.5601 10.5898 10.6519 10.6933 13.9827 14.0161 16.2056 16.2752 16.8934 16.9020 19.6039 19.7325 19.7679 19.8331 k = 0.4055 0.2341 0.5128 ( 1015 PWs) bands (ev): -40.1783 -40.1783 -17.9500 -17.8725 -16.0194 -15.8786 -15.7578 -15.7238 0.2749 0.3837 9.1161 9.1299 10.6021 10.6257 10.6987 10.7481 13.9064 13.9390 16.2091 16.2796 16.9023 16.9083 19.5820 19.7183 19.7482 19.8201 k = 0.4024 0.2323 0.5228 ( 1015 PWs) bands (ev): -40.1778 -40.1778 -17.9518 -17.8738 -16.0212 -15.8783 -15.7625 -15.7271 0.2822 0.3916 9.0875 9.1007 10.6423 10.6608 10.7463 10.8025 13.8345 13.8665 16.2152 16.2865 16.9087 16.9121 19.5595 19.7018 19.7275 19.8043 k = 0.3994 0.2306 0.5327 ( 1015 PWs) bands (ev): -40.1773 -40.1773 -17.9533 -17.8751 -16.0228 -15.8783 -15.7667 -15.7301 0.2890 0.3989 9.0593 9.0720 10.6805 10.6949 10.7941 10.8560 13.7677 13.7989 16.2240 16.2962 16.9125 16.9132 19.5368 19.6832 19.7059 19.7860 k = 0.3963 0.2288 0.5427 ( 1009 PWs) bands (ev): -40.1767 -40.1767 -17.9548 -17.8763 -16.0242 -15.8787 -15.7703 -15.7329 0.2954 0.4056 9.0314 9.0436 10.7168 10.7279 10.8416 10.9080 13.7064 13.7367 16.2357 16.3086 16.9114 16.9136 19.5145 19.6630 19.6837 19.7651 k = 0.3933 0.2271 0.5526 ( 1013 PWs) bands (ev): -40.1764 -40.1764 -17.9561 -17.8776 -16.0255 -15.8795 -15.7732 -15.7354 0.3013 0.4115 9.0039 9.0156 10.7510 10.7597 10.8879 10.9580 13.6511 13.6805 16.2501 16.3237 16.9066 16.9117 19.4929 19.6406 19.6617 19.7417 k = 0.3902 0.2253 0.5626 ( 1013 PWs) bands (ev): -40.1760 -40.1760 -17.9573 -17.8789 -16.0266 -15.8807 -15.7755 -15.7376 0.3068 0.4167 8.9769 8.9881 10.7832 10.7900 10.9323 11.0053 13.6026 13.6309 16.2674 16.3416 16.8987 16.9067 19.4724 19.6155 19.6412 19.7161 k = 0.3872 0.2235 0.5725 ( 1013 PWs) bands (ev): -40.1757 -40.1757 -17.9583 -17.8802 -16.0275 -15.8823 -15.7771 -15.7395 0.3116 0.4212 8.9502 8.9610 10.8135 10.8188 10.9742 11.0493 13.5613 13.5883 16.2875 16.3623 16.8878 16.8988 19.4533 19.5874 19.6229 19.6884 k = 0.3841 0.2218 0.5825 ( 1013 PWs) bands (ev): -40.1754 -40.1754 -17.9591 -17.8814 -16.0281 -15.8842 -15.7780 -15.7411 0.3160 0.4250 8.9240 8.9343 10.8416 10.8459 11.0127 11.0892 13.5278 13.5532 16.3105 16.3857 16.8739 16.8879 19.4359 19.5566 19.6070 19.6590 k = 0.3811 0.2200 0.5925 ( 1013 PWs) bands (ev): -40.1751 -40.1751 -17.9597 -17.8826 -16.0286 -15.8864 -15.7784 -15.7424 0.3197 0.4280 8.8981 8.9080 10.8676 10.8712 11.0473 11.1244 13.5025 13.5261 16.3362 16.4119 16.8572 16.8742 19.4203 19.5237 19.5935 19.6283 k = 0.3780 0.2183 0.6024 ( 1013 PWs) bands (ev): -40.1749 -40.1749 -17.9602 -17.8838 -16.0287 -15.8888 -15.7782 -15.7435 0.3229 0.4303 8.8727 8.8822 10.8914 10.8945 11.0773 11.1545 13.4857 13.5071 16.3645 16.4405 16.8381 16.8579 19.4064 19.4891 19.5825 19.5968 k = 0.3750 0.2165 0.6124 ( 1011 PWs) bands (ev): -40.1747 -40.1747 -17.9604 -17.8849 -16.0287 -15.8914 -15.7774 -15.7442 0.3255 0.4317 8.8477 8.8568 10.9129 10.9158 11.1025 11.1790 13.4775 13.4964 16.3953 16.4716 16.8169 16.8396 19.3938 19.4530 19.5653 19.5742 k = 0.6250-0.0722 0.4082 ( 1011 PWs) bands (ev): -40.1747 -40.1747 -17.9604 -17.8849 -16.0287 -15.8914 -15.7774 -15.7442 0.3255 0.4317 8.8477 8.8568 10.9129 10.9158 11.1025 11.1790 13.4775 13.4964 16.3953 16.4716 16.8169 16.8396 19.3938 19.4530 19.5653 19.5742 k = 0.6198-0.0812 0.4082 ( 1015 PWs) bands (ev): -40.1746 -40.1746 -17.9606 -17.8867 -16.0283 -15.8959 -15.7756 -15.7452 0.3292 0.4333 8.8053 8.8137 10.9473 10.9502 11.1392 11.2136 13.4745 13.4887 16.4498 16.5262 16.7808 16.8083 19.3690 19.3904 19.5143 19.5598 k = 0.6146-0.0902 0.4082 ( 1015 PWs) bands (ev): -40.1744 -40.1744 -17.9606 -17.8885 -16.0277 -15.9005 -15.7735 -15.7458 0.3326 0.4343 8.7630 8.7709 10.9810 10.9840 11.1724 11.2441 13.4783 13.4874 16.5036 16.5794 16.7491 16.7806 19.3283 19.3351 19.4683 19.5407 k = 0.6094-0.0992 0.4082 ( 1015 PWs) bands (ev): -40.1742 -40.1742 -17.9604 -17.8903 -16.0269 -15.9052 -15.7712 -15.7463 0.3358 0.4347 8.7211 8.7284 11.0139 11.0171 11.2023 11.2706 13.4880 13.4919 16.5560 16.6280 16.7253 16.7578 19.2667 19.2925 19.4267 19.5167 k = 0.6042-0.1083 0.4082 ( 1015 PWs) bands (ev): -40.1740 -40.1740 -17.9602 -17.8922 -16.0260 -15.9100 -15.7688 -15.7466 0.3386 0.4347 8.6796 8.6864 11.0458 11.0495 11.2290 11.2935 13.5012 13.5026 16.6052 16.6559 16.7259 16.7420 19.2057 19.2435 19.3874 19.4876 k = 0.5990-0.1173 0.4082 ( 1015 PWs) bands (ev): -40.1739 -40.1739 -17.9597 -17.8941 -16.0250 -15.9147 -15.7662 -15.7466 0.3413 0.4342 8.6387 8.6451 11.0768 11.0810 11.2530 11.3133 13.5146 13.5212 16.6456 16.6510 16.7392 16.7637 19.1454 19.1906 19.3477 19.4534 k = 0.5938-0.1263 0.4082 ( 1019 PWs) bands (ev): -40.1739 -40.1739 -17.9592 -17.8960 -16.0239 -15.9195 -15.7635 -15.7464 0.3438 0.4333 8.5987 8.6047 11.1068 11.1115 11.2746 11.3304 13.5310 13.5426 16.6390 16.6671 16.7600 16.8132 19.0858 19.1356 19.3060 19.4141 k = 0.5885-0.1353 0.4082 ( 1019 PWs) bands (ev): -40.1738 -40.1738 -17.9585 -17.8979 -16.0227 -15.9242 -15.7608 -15.7461 0.3460 0.4320 8.5597 8.5653 11.1355 11.1410 11.2941 11.3452 13.5496 13.5660 16.6301 16.6738 16.8005 16.8646 19.0272 19.0797 19.2614 19.3700 k = 0.5833-0.1443 0.4082 ( 1019 PWs) bands (ev): -40.1737 -40.1737 -17.9577 -17.8999 -16.0214 -15.9288 -15.7581 -15.7456 0.3482 0.4303 8.5219 8.5272 11.1630 11.1692 11.3119 11.3581 13.5695 13.5902 16.6263 16.6786 16.8480 16.9161 18.9696 19.0236 19.2133 19.3211 k = 0.5781-0.1534 0.4082 ( 1023 PWs) bands (ev): -40.1738 -40.1738 -17.9568 -17.9019 -16.0200 -15.9334 -15.7555 -15.7449 0.3502 0.4283 8.4855 8.4904 11.1890 11.1961 11.3283 11.3695 13.5900 13.6144 16.6285 16.6867 16.8974 16.9670 18.9132 18.9677 19.1618 19.2677 k = 0.5729-0.1624 0.4082 ( 1015 PWs) bands (ev): -40.1735 -40.1735 -17.9558 -17.9039 -16.0185 -15.9379 -15.7529 -15.7441 0.3522 0.4261 8.4506 8.4552 11.2135 11.2216 11.3436 11.3798 13.6105 13.6379 16.6370 16.6997 16.9470 17.0171 18.8582 18.9124 19.1071 19.2103 k = 0.5677-0.1714 0.4082 ( 1013 PWs) bands (ev): -40.1734 -40.1734 -17.9547 -17.9060 -16.0169 -15.9424 -15.7503 -15.7432 0.3540 0.4235 8.4174 8.4217 11.2365 11.2455 11.3579 11.3893 13.6302 13.6601 16.6518 16.7181 16.9962 17.0660 18.8046 18.8578 19.0493 19.1490 k = 0.5625-0.1804 0.4082 ( 1013 PWs) bands (ev): -40.1733 -40.1733 -17.9535 -17.9081 -16.0153 -15.9467 -15.7479 -15.7422 0.3559 0.4208 8.3861 8.3901 11.2577 11.2677 11.3715 11.3980 13.6489 13.6803 16.6729 16.7419 17.0444 17.1135 18.7528 18.8042 18.9891 19.0845 k = 0.5573-0.1894 0.4082 ( 1017 PWs) bands (ev): -40.1734 -40.1734 -17.9522 -17.9102 -16.0136 -15.9509 -15.7456 -15.7412 0.3577 0.4178 8.3567 8.3604 11.2771 11.2880 11.3844 11.4064 13.6661 13.6984 16.7000 16.7709 17.0915 17.1592 18.7029 18.7517 18.9268 19.0173 k = 0.5521-0.1985 0.4082 ( 1013 PWs) bands (ev): -40.1733 -40.1733 -17.9508 -17.9123 -16.0118 -15.9550 -15.7435 -15.7401 0.3596 0.4147 8.3295 8.3329 11.2947 11.3063 11.3967 11.4145 13.6818 13.7140 16.7328 16.8045 17.1372 17.2030 18.6554 18.7006 18.8635 18.9481 k = 0.5469-0.2075 0.4082 ( 1013 PWs) bands (ev): -40.1733 -40.1733 -17.9493 -17.9144 -16.0099 -15.9590 -15.7415 -15.7390 0.3615 0.4116 8.3045 8.3076 11.3105 11.3225 11.4084 11.4223 13.6957 13.7272 16.7703 16.8420 17.1812 17.2445 18.6104 18.6511 18.8000 18.8777 k = 0.5417-0.2165 0.4082 ( 1013 PWs) bands (ev): -40.1732 -40.1732 -17.9478 -17.9165 -16.0080 -15.9628 -15.7397 -15.7380 0.3634 0.4083 8.2819 8.2847 11.3245 11.3366 11.4194 11.4300 13.7080 13.7379 16.8119 16.8823 17.2231 17.2832 18.5685 18.6034 18.7374 18.8070 k = 0.5365-0.2255 0.4082 ( 1013 PWs) bands (ev): -40.1732 -40.1732 -17.9461 -17.9186 -16.0059 -15.9665 -15.7382 -15.7370 0.3655 0.4050 8.2618 8.2642 11.3368 11.3485 11.4296 11.4373 13.7186 13.7463 16.8563 16.9243 17.2626 17.3188 18.5302 18.5579 18.6771 18.7371 k = 0.5312-0.2345 0.4082 ( 1013 PWs) bands (ev): -40.1732 -40.1732 -17.9444 -17.9207 -16.0038 -15.9701 -15.7368 -15.7360 0.3676 0.4017 8.2441 8.2462 11.3474 11.3584 11.4388 11.4443 13.7277 13.7526 16.9023 16.9663 17.2993 17.3505 18.4959 18.5149 18.6206 18.6692 k = 0.5260-0.2436 0.4082 ( 1013 PWs) bands (ev): -40.1732 -40.1732 -17.9427 -17.9228 -16.0016 -15.9736 -15.7356 -15.7352 0.3698 0.3983 8.2291 8.2309 11.3565 11.3662 11.4469 11.4507 13.7354 13.7570 16.9482 17.0065 17.3326 17.3779 18.4664 18.4754 18.5693 18.6049 k = 0.5208-0.2526 0.4082 ( 1013 PWs) bands (ev): -40.1732 -40.1732 -17.9409 -17.9250 -15.9993 -15.9769 -15.7347 -15.7344 0.3721 0.3951 8.2168 8.2182 11.3640 11.3722 11.4538 11.4563 13.7419 13.7597 16.9920 17.0427 17.3620 17.4002 18.4406 18.4422 18.5246 18.5461 k = 0.5156-0.2616 0.4082 ( 1015 PWs) bands (ev): -40.1733 -40.1733 -17.9390 -17.9271 -15.9969 -15.9802 -15.7340 -15.7339 0.3746 0.3918 8.2072 8.2082 11.3701 11.3764 11.4593 11.4609 13.7474 13.7610 17.0316 17.0725 17.3869 17.4170 18.4126 18.4237 18.4875 18.4949 k = 0.5104-0.2706 0.4082 ( 1015 PWs) bands (ev): -40.1733 -40.1733 -17.9371 -17.9291 -15.9944 -15.9833 -15.7334 -15.7334 0.3772 0.3887 8.2003 8.2010 11.3747 11.3790 11.4633 11.4643 13.7518 13.7611 17.0647 17.0936 17.4068 17.4276 18.3935 18.4105 18.4547 18.4585 k = 0.5052-0.2797 0.4082 ( 1015 PWs) bands (ev): -40.1733 -40.1733 -17.9352 -17.9312 -15.9918 -15.9862 -15.7331 -15.7331 0.3799 0.3856 8.1963 8.1966 11.3779 11.3801 11.4658 11.4663 13.7555 13.7601 17.0890 17.1040 17.4212 17.4319 18.3854 18.3994 18.4310 18.4381 k = 0.5000-0.2887 0.4082 ( 998 PWs) bands (ev): -40.1728 -40.1728 -17.9331 -17.9331 -15.9890 -15.9890 -15.7330 -15.7330 0.3827 0.3827 8.1951 8.1951 11.3798 11.3798 11.4668 11.4668 13.7582 13.7582 17.1025 17.1025 17.4298 17.4298 18.3887 18.3887 18.4277 18.4277 Writing output data file NbN.save init_run : 2.56s CPU 12.99s WALL ( 1 calls) electrons : 121.92s CPU 125.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.19s CPU 1.31s WALL ( 1 calls) Called by electrons: c_bands : 121.84s CPU 125.38s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.63s WALL ( 1 calls) v_h : 0.00s CPU 0.03s WALL ( 1 calls) v_xc : 0.03s CPU 0.44s WALL ( 1 calls) newd : 0.28s CPU 0.44s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 441 calls) cegterg : 94.44s CPU 95.21s WALL ( 543 calls) Called by sum_band: Called by *egterg: h_psi : 48.58s CPU 52.35s WALL ( 7898 calls) s_psi : 2.60s CPU 3.38s WALL ( 7898 calls) g_psi : 0.02s CPU 0.08s WALL ( 6914 calls) cdiaghg : 32.46s CPU 31.59s WALL ( 7355 calls) cegterg:over : 9.36s CPU 7.49s WALL ( 6914 calls) cegterg:upda : 0.13s CPU 0.77s WALL ( 6914 calls) cegterg:last : 0.15s CPU 0.59s WALL ( 1595 calls) Called by h_psi: h_psi:vloc : 41.53s CPU 45.29s WALL ( 7898 calls) h_psi:vnl : 7.03s CPU 6.89s WALL ( 7898 calls) add_vuspsi : 0.74s CPU 2.21s WALL ( 7898 calls) General routines calbec : 6.27s CPU 4.56s WALL ( 7898 calls) fft : 0.17s CPU 1.16s WALL ( 19 calls) ffts : 0.01s CPU 0.06s WALL ( 4 calls) fftw : 40.28s CPU 43.30s WALL ( 549028 calls) interpolate : 0.07s CPU 0.26s WALL ( 4 calls) davcio : 0.02s CPU 1.22s WALL ( 882 calls) Parallel routines fft_scatter : 29.95s CPU 31.11s WALL ( 549051 calls) PWSCF : 2m31.68s CPU 3m45.93s WALL This run was terminated on: 10: 0:59 26Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=