Program PWSCF v.5.1.1 starts on 26Aug2015 at 13: 9: 4 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: ./TaN.save/ 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 3 363 145 24 Max 19 11 4 365 154 27 Sum 889 499 151 17477 7119 1243 bravais-lattice index = 14 lattice parameter (alat) = 6.3338 a.u. unit-cell volume = 179.6683 (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 = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.333768 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 Ta read from file: /home/autes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf 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 1273 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 Ta 13.00 180.94790 Ta( 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 0.1940299), 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 0.4701492), 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 0.1691176 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 0.2957746 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 0.2429577 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 0.1848591 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 0.2429577), 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 0.2068965), 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 0.2931034 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 0.4568965 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 0.4451219 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 0.5396342), 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 0.5701219), 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 0.3353658 0.5823171), wk = 0.0022676 k( 288) = ( 0.5853658 0.3292683 0.5853658), 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 0.3048780 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 0.4840425 0.5159575), wk = 0.0022676 k( 372) = ( 0.5000000 0.4893617 0.5106383), wk = 0.0022676 k( 373) = ( 0.5000000 0.4946808 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 0.4451219 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 0.6951219), 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: 7119 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 ( 162) 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) The potential is recalculated from file : ./TaN.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.2 secs Computing kpt #: 2 total cpu time spent up to now is 40.4 secs Computing kpt #: 3 total cpu time spent up to now is 40.7 secs Computing kpt #: 4 total cpu time spent up to now is 40.9 secs Computing kpt #: 5 total cpu time spent up to now is 41.1 secs Computing kpt #: 6 total cpu time spent up to now is 41.3 secs Computing kpt #: 7 total cpu time spent up to now is 41.6 secs Computing kpt #: 8 total cpu time spent up to now is 41.8 secs Computing kpt #: 9 total cpu time spent up to now is 42.1 secs Computing kpt #: 10 total cpu time spent up to now is 42.3 secs Computing kpt #: 11 total cpu time spent up to now is 42.5 secs Computing kpt #: 12 total cpu time spent up to now is 42.8 secs Computing kpt #: 13 total cpu time spent up to now is 43.0 secs Computing kpt #: 14 total cpu time spent up to now is 43.2 secs Computing kpt #: 15 total cpu time spent up to now is 43.5 secs Computing kpt #: 16 total cpu time spent up to now is 43.8 secs Computing kpt #: 17 total cpu time spent up to now is 44.0 secs Computing kpt #: 18 total cpu time spent up to now is 44.3 secs Computing kpt #: 19 total cpu time spent up to now is 44.5 secs Computing kpt #: 20 total cpu time spent up to now is 44.8 secs Computing kpt #: 21 total cpu time spent up to now is 45.0 secs Computing kpt #: 22 total cpu time spent up to now is 45.3 secs Computing kpt #: 23 total cpu time spent up to now is 45.5 secs Computing kpt #: 24 total cpu time spent up to now is 45.8 secs Computing kpt #: 25 total cpu time spent up to now is 46.1 secs Computing kpt #: 26 total cpu time spent up to now is 46.4 secs Computing kpt #: 27 total cpu time spent up to now is 46.6 secs Computing kpt #: 28 total cpu time spent up to now is 46.9 secs Computing kpt #: 29 total cpu time spent up to now is 47.2 secs Computing kpt #: 30 total cpu time spent up to now is 47.4 secs Computing kpt #: 31 total cpu time spent up to now is 47.6 secs Computing kpt #: 32 total cpu time spent up to now is 47.8 secs Computing kpt #: 33 total cpu time spent up to now is 48.1 secs Computing kpt #: 34 total cpu time spent up to now is 48.3 secs Computing kpt #: 35 total cpu time spent up to now is 48.5 secs Computing kpt #: 36 total cpu time spent up to now is 48.7 secs Computing kpt #: 37 total cpu time spent up to now is 48.9 secs Computing kpt #: 38 total cpu time spent up to now is 49.2 secs Computing kpt #: 39 total cpu time spent up to now is 49.4 secs Computing kpt #: 40 total cpu time spent up to now is 49.6 secs Computing kpt #: 41 total cpu time spent up to now is 49.8 secs Computing kpt #: 42 total cpu time spent up to now is 50.0 secs Computing kpt #: 43 total cpu time spent up to now is 50.5 secs Computing kpt #: 44 total cpu time spent up to now is 50.9 secs Computing kpt #: 45 total cpu time spent up to now is 51.1 secs Computing kpt #: 46 total cpu time spent up to now is 51.4 secs Computing kpt #: 47 total cpu time spent up to now is 51.7 secs Computing kpt #: 48 total cpu time spent up to now is 52.0 secs Computing kpt #: 49 total cpu time spent up to now is 52.2 secs Computing kpt #: 50 total cpu time spent up to now is 52.5 secs Computing kpt #: 51 total cpu time spent up to now is 52.8 secs Computing kpt #: 52 total cpu time spent up to now is 53.0 secs Computing kpt #: 53 total cpu time spent up to now is 53.3 secs Computing kpt #: 54 total cpu time spent up to now is 53.5 secs Computing kpt #: 55 total cpu time spent up to now is 53.7 secs Computing kpt #: 56 total cpu time spent up to now is 54.0 secs Computing kpt #: 57 total cpu time spent up to now is 54.3 secs Computing kpt #: 58 total cpu time spent up to now is 54.6 secs Computing kpt #: 59 total cpu time spent up to now is 54.9 secs Computing kpt #: 60 total cpu time spent up to now is 55.1 secs Computing kpt #: 61 total cpu time spent up to now is 55.3 secs Computing kpt #: 62 total cpu time spent up to now is 55.6 secs Computing kpt #: 63 total cpu time spent up to now is 55.8 secs Computing kpt #: 64 total cpu time spent up to now is 56.0 secs Computing kpt #: 65 total cpu time spent up to now is 56.2 secs Computing kpt #: 66 total cpu time spent up to now is 56.4 secs Computing kpt #: 67 total cpu time spent up to now is 56.6 secs Computing kpt #: 68 total cpu time spent up to now is 56.7 secs Computing kpt #: 69 total cpu time spent up to now is 56.9 secs Computing kpt #: 70 total cpu time spent up to now is 57.1 secs Computing kpt #: 71 total cpu time spent up to now is 57.2 secs Computing kpt #: 72 total cpu time spent up to now is 57.4 secs Computing kpt #: 73 total cpu time spent up to now is 57.6 secs Computing kpt #: 74 total cpu time spent up to now is 58.1 secs Computing kpt #: 75 total cpu time spent up to now is 58.4 secs Computing kpt #: 76 total cpu time spent up to now is 58.6 secs Computing kpt #: 77 total cpu time spent up to now is 58.9 secs Computing kpt #: 78 total cpu time spent up to now is 59.2 secs Computing kpt #: 79 total cpu time spent up to now is 59.6 secs Computing kpt #: 80 total cpu time spent up to now is 59.9 secs Computing kpt #: 81 total cpu time spent up to now is 60.4 secs Computing kpt #: 82 total cpu time spent up to now is 60.8 secs Computing kpt #: 83 total cpu time spent up to now is 61.0 secs Computing kpt #: 84 total cpu time spent up to now is 61.4 secs Computing kpt #: 85 total cpu time spent up to now is 61.6 secs Computing kpt #: 86 total cpu time spent up to now is 61.9 secs Computing kpt #: 87 total cpu time spent up to now is 62.1 secs Computing kpt #: 88 total cpu time spent up to now is 62.3 secs Computing kpt #: 89 total cpu time spent up to now is 62.6 secs Computing kpt #: 90 total cpu time spent up to now is 62.8 secs Computing kpt #: 91 total cpu time spent up to now is 62.9 secs Computing kpt #: 92 total cpu time spent up to now is 63.1 secs Computing kpt #: 93 total cpu time spent up to now is 63.3 secs Computing kpt #: 94 total cpu time spent up to now is 63.5 secs Computing kpt #: 95 total cpu time spent up to now is 63.7 secs Computing kpt #: 96 total cpu time spent up to now is 63.9 secs Computing kpt #: 97 total cpu time spent up to now is 64.1 secs Computing kpt #: 98 total cpu time spent up to now is 64.3 secs Computing kpt #: 99 total cpu time spent up to now is 64.5 secs Computing kpt #: 100 total cpu time spent up to now is 64.6 secs Computing kpt #: 101 total cpu time spent up to now is 64.8 secs Computing kpt #: 102 total cpu time spent up to now is 65.0 secs Computing kpt #: 103 total cpu time spent up to now is 65.2 secs Computing kpt #: 104 total cpu time spent up to now is 65.3 secs Computing kpt #: 105 total cpu time spent up to now is 65.5 secs Computing kpt #: 106 total cpu time spent up to now is 65.7 secs Computing kpt #: 107 total cpu time spent up to now is 66.1 secs Computing kpt #: 108 total cpu time spent up to now is 66.3 secs Computing kpt #: 109 total cpu time spent up to now is 66.5 secs Computing kpt #: 110 total cpu time spent up to now is 66.7 secs Computing kpt #: 111 total cpu time spent up to now is 66.9 secs Computing kpt #: 112 total cpu time spent up to now is 67.2 secs Computing kpt #: 113 total cpu time spent up to now is 67.4 secs Computing kpt #: 114 total cpu time spent up to now is 67.6 secs Computing kpt #: 115 total cpu time spent up to now is 67.9 secs Computing kpt #: 116 total cpu time spent up to now is 68.3 secs Computing kpt #: 117 total cpu time spent up to now is 68.5 secs Computing kpt #: 118 total cpu time spent up to now is 68.8 secs Computing kpt #: 119 total cpu time spent up to now is 69.0 secs Computing kpt #: 120 total cpu time spent up to now is 69.2 secs Computing kpt #: 121 total cpu time spent up to now is 69.4 secs Computing kpt #: 122 total cpu time spent up to now is 69.6 secs Computing kpt #: 123 total cpu time spent up to now is 69.9 secs Computing kpt #: 124 total cpu time spent up to now is 70.1 secs Computing kpt #: 125 total cpu time spent up to now is 70.3 secs Computing kpt #: 126 total cpu time spent up to now is 70.5 secs Computing kpt #: 127 total cpu time spent up to now is 70.7 secs Computing kpt #: 128 total cpu time spent up to now is 70.9 secs Computing kpt #: 129 total cpu time spent up to now is 71.1 secs Computing kpt #: 130 total cpu time spent up to now is 71.3 secs Computing kpt #: 131 total cpu time spent up to now is 71.5 secs Computing kpt #: 132 total cpu time spent up to now is 71.7 secs Computing kpt #: 133 total cpu time spent up to now is 71.9 secs Computing kpt #: 134 total cpu time spent up to now is 72.1 secs Computing kpt #: 135 total cpu time spent up to now is 72.3 secs Computing kpt #: 136 total cpu time spent up to now is 72.6 secs Computing kpt #: 137 total cpu time spent up to now is 72.9 secs Computing kpt #: 138 total cpu time spent up to now is 73.3 secs Computing kpt #: 139 total cpu time spent up to now is 73.6 secs Computing kpt #: 140 total cpu time spent up to now is 73.9 secs Computing kpt #: 141 total cpu time spent up to now is 74.1 secs Computing kpt #: 142 total cpu time spent up to now is 74.5 secs Computing kpt #: 143 total cpu time spent up to now is 74.8 secs Computing kpt #: 144 total cpu time spent up to now is 75.3 secs Computing kpt #: 145 total cpu time spent up to now is 75.6 secs Computing kpt #: 146 total cpu time spent up to now is 75.9 secs Computing kpt #: 147 total cpu time spent up to now is 76.3 secs Computing kpt #: 148 total cpu time spent up to now is 76.5 secs Computing kpt #: 149 total cpu time spent up to now is 76.8 secs Computing kpt #: 150 total cpu time spent up to now is 77.1 secs Computing kpt #: 151 total cpu time spent up to now is 77.4 secs Computing kpt #: 152 total cpu time spent up to now is 77.7 secs Computing kpt #: 153 total cpu time spent up to now is 78.1 secs Computing kpt #: 154 total cpu time spent up to now is 78.5 secs Computing kpt #: 155 total cpu time spent up to now is 78.8 secs Computing kpt #: 156 total cpu time spent up to now is 79.1 secs Computing kpt #: 157 total cpu time spent up to now is 79.4 secs Computing kpt #: 158 total cpu time spent up to now is 79.6 secs Computing kpt #: 159 total cpu time spent up to now is 79.8 secs Computing kpt #: 160 total cpu time spent up to now is 80.1 secs Computing kpt #: 161 total cpu time spent up to now is 80.3 secs Computing kpt #: 162 total cpu time spent up to now is 80.6 secs Computing kpt #: 163 total cpu time spent up to now is 80.9 secs Computing kpt #: 164 total cpu time spent up to now is 81.3 secs Computing kpt #: 165 total cpu time spent up to now is 81.6 secs Computing kpt #: 166 total cpu time spent up to now is 81.8 secs Computing kpt #: 167 total cpu time spent up to now is 82.1 secs Computing kpt #: 168 total cpu time spent up to now is 82.5 secs Computing kpt #: 169 total cpu time spent up to now is 82.9 secs Computing kpt #: 170 total cpu time spent up to now is 83.3 secs Computing kpt #: 171 total cpu time spent up to now is 83.5 secs Computing kpt #: 172 total cpu time spent up to now is 83.8 secs Computing kpt #: 173 total cpu time spent up to now is 84.1 secs Computing kpt #: 174 total cpu time spent up to now is 84.3 secs Computing kpt #: 175 total cpu time spent up to now is 84.6 secs Computing kpt #: 176 total cpu time spent up to now is 84.8 secs Computing kpt #: 177 total cpu time spent up to now is 85.1 secs Computing kpt #: 178 total cpu time spent up to now is 85.3 secs Computing kpt #: 179 total cpu time spent up to now is 85.5 secs Computing kpt #: 180 total cpu time spent up to now is 85.7 secs Computing kpt #: 181 total cpu time spent up to now is 85.9 secs Computing kpt #: 182 total cpu time spent up to now is 86.2 secs Computing kpt #: 183 total cpu time spent up to now is 86.4 secs Computing kpt #: 184 total cpu time spent up to now is 86.6 secs Computing kpt #: 185 total cpu time spent up to now is 86.8 secs Computing kpt #: 186 total cpu time spent up to now is 87.2 secs Computing kpt #: 187 total cpu time spent up to now is 87.5 secs Computing kpt #: 188 total cpu time spent up to now is 87.8 secs Computing kpt #: 189 total cpu time spent up to now is 88.1 secs Computing kpt #: 190 total cpu time spent up to now is 88.3 secs Computing kpt #: 191 total cpu time spent up to now is 88.7 secs Computing kpt #: 192 total cpu time spent up to now is 89.0 secs Computing kpt #: 193 total cpu time spent up to now is 89.3 secs Computing kpt #: 194 total cpu time spent up to now is 89.6 secs Computing kpt #: 195 total cpu time spent up to now is 90.0 secs Computing kpt #: 196 total cpu time spent up to now is 90.2 secs Computing kpt #: 197 total cpu time spent up to now is 90.5 secs Computing kpt #: 198 total cpu time spent up to now is 90.7 secs Computing kpt #: 199 total cpu time spent up to now is 90.9 secs Computing kpt #: 200 total cpu time spent up to now is 91.2 secs Computing kpt #: 201 total cpu time spent up to now is 91.4 secs Computing kpt #: 202 total cpu time spent up to now is 91.7 secs Computing kpt #: 203 total cpu time spent up to now is 91.9 secs Computing kpt #: 204 total cpu time spent up to now is 92.2 secs Computing kpt #: 205 total cpu time spent up to now is 92.5 secs Computing kpt #: 206 total cpu time spent up to now is 93.0 secs Computing kpt #: 207 total cpu time spent up to now is 93.4 secs Computing kpt #: 208 total cpu time spent up to now is 93.9 secs Computing kpt #: 209 total cpu time spent up to now is 94.5 secs Computing kpt #: 210 total cpu time spent up to now is 94.7 secs Computing kpt #: 211 total cpu time spent up to now is 95.4 secs Computing kpt #: 212 total cpu time spent up to now is 96.0 secs Computing kpt #: 213 total cpu time spent up to now is 96.6 secs Computing kpt #: 214 total cpu time spent up to now is 97.1 secs Computing kpt #: 215 total cpu time spent up to now is 97.5 secs Computing kpt #: 216 total cpu time spent up to now is 98.0 secs Computing kpt #: 217 total cpu time spent up to now is 98.4 secs Computing kpt #: 218 total cpu time spent up to now is 98.6 secs Computing kpt #: 219 total cpu time spent up to now is 98.9 secs Computing kpt #: 220 total cpu time spent up to now is 99.4 secs Computing kpt #: 221 total cpu time spent up to now is 99.7 secs Computing kpt #: 222 total cpu time spent up to now is 100.0 secs Computing kpt #: 223 total cpu time spent up to now is 100.3 secs Computing kpt #: 224 total cpu time spent up to now is 100.9 secs Computing kpt #: 225 total cpu time spent up to now is 101.2 secs Computing kpt #: 226 total cpu time spent up to now is 101.5 secs Computing kpt #: 227 total cpu time spent up to now is 101.9 secs Computing kpt #: 228 total cpu time spent up to now is 102.3 secs Computing kpt #: 229 total cpu time spent up to now is 102.5 secs Computing kpt #: 230 total cpu time spent up to now is 103.1 secs Computing kpt #: 231 total cpu time spent up to now is 103.7 secs Computing kpt #: 232 total cpu time spent up to now is 104.1 secs Computing kpt #: 233 total cpu time spent up to now is 104.4 secs Computing kpt #: 234 total cpu time spent up to now is 104.7 secs Computing kpt #: 235 total cpu time spent up to now is 105.0 secs Computing kpt #: 236 total cpu time spent up to now is 105.3 secs Computing kpt #: 237 total cpu time spent up to now is 105.6 secs Computing kpt #: 238 total cpu time spent up to now is 105.8 secs Computing kpt #: 239 total cpu time spent up to now is 106.1 secs Computing kpt #: 240 total cpu time spent up to now is 106.4 secs Computing kpt #: 241 total cpu time spent up to now is 107.0 secs Computing kpt #: 242 total cpu time spent up to now is 107.5 secs Computing kpt #: 243 total cpu time spent up to now is 107.7 secs Computing kpt #: 244 total cpu time spent up to now is 108.0 secs Computing kpt #: 245 total cpu time spent up to now is 108.3 secs Computing kpt #: 246 total cpu time spent up to now is 108.6 secs Computing kpt #: 247 total cpu time spent up to now is 108.8 secs Computing kpt #: 248 total cpu time spent up to now is 109.2 secs Computing kpt #: 249 total cpu time spent up to now is 109.5 secs Computing kpt #: 250 total cpu time spent up to now is 109.8 secs Computing kpt #: 251 total cpu time spent up to now is 110.0 secs Computing kpt #: 252 total cpu time spent up to now is 110.3 secs Computing kpt #: 253 total cpu time spent up to now is 110.7 secs Computing kpt #: 254 total cpu time spent up to now is 110.9 secs Computing kpt #: 255 total cpu time spent up to now is 111.1 secs Computing kpt #: 256 total cpu time spent up to now is 111.4 secs Computing kpt #: 257 total cpu time spent up to now is 111.6 secs Computing kpt #: 258 total cpu time spent up to now is 112.0 secs Computing kpt #: 259 total cpu time spent up to now is 112.2 secs Computing kpt #: 260 total cpu time spent up to now is 112.5 secs Computing kpt #: 261 total cpu time spent up to now is 112.8 secs Computing kpt #: 262 total cpu time spent up to now is 113.2 secs Computing kpt #: 263 total cpu time spent up to now is 113.6 secs Computing kpt #: 264 total cpu time spent up to now is 113.9 secs Computing kpt #: 265 total cpu time spent up to now is 114.1 secs Computing kpt #: 266 total cpu time spent up to now is 114.7 secs Computing kpt #: 267 total cpu time spent up to now is 115.4 secs Computing kpt #: 268 total cpu time spent up to now is 115.7 secs Computing kpt #: 269 total cpu time spent up to now is 115.9 secs Computing kpt #: 270 total cpu time spent up to now is 116.1 secs Computing kpt #: 271 total cpu time spent up to now is 116.4 secs Computing kpt #: 272 total cpu time spent up to now is 116.6 secs Computing kpt #: 273 total cpu time spent up to now is 116.8 secs Computing kpt #: 274 total cpu time spent up to now is 117.0 secs Computing kpt #: 275 total cpu time spent up to now is 117.3 secs Computing kpt #: 276 total cpu time spent up to now is 117.6 secs Computing kpt #: 277 total cpu time spent up to now is 117.8 secs Computing kpt #: 278 total cpu time spent up to now is 118.0 secs Computing kpt #: 279 total cpu time spent up to now is 118.3 secs Computing kpt #: 280 total cpu time spent up to now is 118.6 secs Computing kpt #: 281 total cpu time spent up to now is 119.0 secs Computing kpt #: 282 total cpu time spent up to now is 119.6 secs Computing kpt #: 283 total cpu time spent up to now is 119.9 secs Computing kpt #: 284 total cpu time spent up to now is 120.1 secs Computing kpt #: 285 total cpu time spent up to now is 120.4 secs Computing kpt #: 286 total cpu time spent up to now is 120.6 secs Computing kpt #: 287 total cpu time spent up to now is 120.8 secs Computing kpt #: 288 total cpu time spent up to now is 121.0 secs Computing kpt #: 289 total cpu time spent up to now is 121.2 secs Computing kpt #: 290 total cpu time spent up to now is 121.5 secs Computing kpt #: 291 total cpu time spent up to now is 121.7 secs Computing kpt #: 292 total cpu time spent up to now is 121.9 secs Computing kpt #: 293 total cpu time spent up to now is 122.1 secs Computing kpt #: 294 total cpu time spent up to now is 122.3 secs Computing kpt #: 295 total cpu time spent up to now is 122.6 secs Computing kpt #: 296 total cpu time spent up to now is 122.9 secs Computing kpt #: 297 total cpu time spent up to now is 123.1 secs Computing kpt #: 298 total cpu time spent up to now is 123.4 secs Computing kpt #: 299 total cpu time spent up to now is 123.6 secs Computing kpt #: 300 total cpu time spent up to now is 123.9 secs Computing kpt #: 301 total cpu time spent up to now is 124.2 secs Computing kpt #: 302 total cpu time spent up to now is 124.4 secs Computing kpt #: 303 total cpu time spent up to now is 124.6 secs Computing kpt #: 304 total cpu time spent up to now is 124.9 secs Computing kpt #: 305 total cpu time spent up to now is 125.1 secs Computing kpt #: 306 total cpu time spent up to now is 125.3 secs Computing kpt #: 307 total cpu time spent up to now is 125.6 secs Computing kpt #: 308 total cpu time spent up to now is 125.8 secs Computing kpt #: 309 total cpu time spent up to now is 126.0 secs Computing kpt #: 310 total cpu time spent up to now is 126.2 secs Computing kpt #: 311 total cpu time spent up to now is 126.4 secs Computing kpt #: 312 total cpu time spent up to now is 126.6 secs Computing kpt #: 313 total cpu time spent up to now is 126.8 secs Computing kpt #: 314 total cpu time spent up to now is 126.9 secs Computing kpt #: 315 total cpu time spent up to now is 127.1 secs Computing kpt #: 316 total cpu time spent up to now is 127.4 secs Computing kpt #: 317 total cpu time spent up to now is 127.6 secs Computing kpt #: 318 total cpu time spent up to now is 127.8 secs Computing kpt #: 319 total cpu time spent up to now is 128.0 secs Computing kpt #: 320 total cpu time spent up to now is 128.2 secs Computing kpt #: 321 total cpu time spent up to now is 128.4 secs Computing kpt #: 322 total cpu time spent up to now is 128.7 secs Computing kpt #: 323 total cpu time spent up to now is 128.9 secs Computing kpt #: 324 total cpu time spent up to now is 129.1 secs Computing kpt #: 325 total cpu time spent up to now is 129.4 secs Computing kpt #: 326 total cpu time spent up to now is 129.9 secs Computing kpt #: 327 total cpu time spent up to now is 130.2 secs Computing kpt #: 328 total cpu time spent up to now is 130.5 secs Computing kpt #: 329 total cpu time spent up to now is 130.8 secs Computing kpt #: 330 total cpu time spent up to now is 131.0 secs Computing kpt #: 331 total cpu time spent up to now is 131.2 secs Computing kpt #: 332 total cpu time spent up to now is 131.4 secs Computing kpt #: 333 total cpu time spent up to now is 131.7 secs Computing kpt #: 334 total cpu time spent up to now is 131.9 secs Computing kpt #: 335 total cpu time spent up to now is 132.1 secs Computing kpt #: 336 total cpu time spent up to now is 132.4 secs Computing kpt #: 337 total cpu time spent up to now is 132.6 secs Computing kpt #: 338 total cpu time spent up to now is 132.9 secs Computing kpt #: 339 total cpu time spent up to now is 133.1 secs Computing kpt #: 340 total cpu time spent up to now is 133.5 secs Computing kpt #: 341 total cpu time spent up to now is 133.7 secs Computing kpt #: 342 total cpu time spent up to now is 134.1 secs Computing kpt #: 343 total cpu time spent up to now is 134.3 secs Computing kpt #: 344 total cpu time spent up to now is 134.5 secs Computing kpt #: 345 total cpu time spent up to now is 134.7 secs Computing kpt #: 346 total cpu time spent up to now is 135.0 secs Computing kpt #: 347 total cpu time spent up to now is 135.2 secs Computing kpt #: 348 total cpu time spent up to now is 135.4 secs Computing kpt #: 349 total cpu time spent up to now is 135.6 secs Computing kpt #: 350 total cpu time spent up to now is 135.8 secs Computing kpt #: 351 total cpu time spent up to now is 136.1 secs Computing kpt #: 352 total cpu time spent up to now is 136.4 secs Computing kpt #: 353 total cpu time spent up to now is 136.6 secs Computing kpt #: 354 total cpu time spent up to now is 137.0 secs Computing kpt #: 355 total cpu time spent up to now is 137.2 secs Computing kpt #: 356 total cpu time spent up to now is 137.5 secs Computing kpt #: 357 total cpu time spent up to now is 137.8 secs Computing kpt #: 358 total cpu time spent up to now is 138.0 secs Computing kpt #: 359 total cpu time spent up to now is 138.5 secs Computing kpt #: 360 total cpu time spent up to now is 138.8 secs Computing kpt #: 361 total cpu time spent up to now is 139.2 secs Computing kpt #: 362 total cpu time spent up to now is 139.7 secs Computing kpt #: 363 total cpu time spent up to now is 140.1 secs Computing kpt #: 364 total cpu time spent up to now is 140.4 secs Computing kpt #: 365 total cpu time spent up to now is 140.6 secs Computing kpt #: 366 total cpu time spent up to now is 140.8 secs Computing kpt #: 367 total cpu time spent up to now is 141.4 secs Computing kpt #: 368 total cpu time spent up to now is 141.7 secs Computing kpt #: 369 total cpu time spent up to now is 142.0 secs Computing kpt #: 370 total cpu time spent up to now is 142.2 secs Computing kpt #: 371 total cpu time spent up to now is 142.5 secs Computing kpt #: 372 total cpu time spent up to now is 142.7 secs Computing kpt #: 373 total cpu time spent up to now is 142.9 secs Computing kpt #: 374 total cpu time spent up to now is 143.1 secs Computing kpt #: 375 total cpu time spent up to now is 143.4 secs Computing kpt #: 376 total cpu time spent up to now is 143.6 secs Computing kpt #: 377 total cpu time spent up to now is 143.8 secs Computing kpt #: 378 total cpu time spent up to now is 144.1 secs Computing kpt #: 379 total cpu time spent up to now is 144.3 secs Computing kpt #: 380 total cpu time spent up to now is 144.9 secs Computing kpt #: 381 total cpu time spent up to now is 145.2 secs Computing kpt #: 382 total cpu time spent up to now is 145.5 secs Computing kpt #: 383 total cpu time spent up to now is 145.9 secs Computing kpt #: 384 total cpu time spent up to now is 146.2 secs Computing kpt #: 385 total cpu time spent up to now is 146.5 secs Computing kpt #: 386 total cpu time spent up to now is 146.9 secs Computing kpt #: 387 total cpu time spent up to now is 147.3 secs Computing kpt #: 388 total cpu time spent up to now is 147.8 secs Computing kpt #: 389 total cpu time spent up to now is 148.1 secs Computing kpt #: 390 total cpu time spent up to now is 148.4 secs Computing kpt #: 391 total cpu time spent up to now is 148.6 secs Computing kpt #: 392 total cpu time spent up to now is 148.9 secs Computing kpt #: 393 total cpu time spent up to now is 149.1 secs Computing kpt #: 394 total cpu time spent up to now is 149.5 secs Computing kpt #: 395 total cpu time spent up to now is 149.9 secs Computing kpt #: 396 total cpu time spent up to now is 150.2 secs Computing kpt #: 397 total cpu time spent up to now is 150.6 secs Computing kpt #: 398 total cpu time spent up to now is 150.9 secs Computing kpt #: 399 total cpu time spent up to now is 151.2 secs Computing kpt #: 400 total cpu time spent up to now is 151.4 secs Computing kpt #: 401 total cpu time spent up to now is 151.6 secs Computing kpt #: 402 total cpu time spent up to now is 151.9 secs Computing kpt #: 403 total cpu time spent up to now is 152.1 secs Computing kpt #: 404 total cpu time spent up to now is 152.3 secs Computing kpt #: 405 total cpu time spent up to now is 152.5 secs Computing kpt #: 406 total cpu time spent up to now is 152.7 secs Computing kpt #: 407 total cpu time spent up to now is 152.9 secs Computing kpt #: 408 total cpu time spent up to now is 153.2 secs Computing kpt #: 409 total cpu time spent up to now is 153.4 secs Computing kpt #: 410 total cpu time spent up to now is 153.7 secs Computing kpt #: 411 total cpu time spent up to now is 154.1 secs Computing kpt #: 412 total cpu time spent up to now is 154.4 secs Computing kpt #: 413 total cpu time spent up to now is 154.6 secs Computing kpt #: 414 total cpu time spent up to now is 154.9 secs Computing kpt #: 415 total cpu time spent up to now is 155.5 secs Computing kpt #: 416 total cpu time spent up to now is 155.7 secs Computing kpt #: 417 total cpu time spent up to now is 156.0 secs Computing kpt #: 418 total cpu time spent up to now is 156.4 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 157.2 secs Computing kpt #: 421 total cpu time spent up to now is 157.7 secs Computing kpt #: 422 total cpu time spent up to now is 158.1 secs Computing kpt #: 423 total cpu time spent up to now is 158.6 secs Computing kpt #: 424 total cpu time spent up to now is 159.0 secs Computing kpt #: 425 total cpu time spent up to now is 159.3 secs Computing kpt #: 426 total cpu time spent up to now is 160.0 secs Computing kpt #: 427 total cpu time spent up to now is 160.4 secs Computing kpt #: 428 total cpu time spent up to now is 160.9 secs Computing kpt #: 429 total cpu time spent up to now is 161.1 secs Computing kpt #: 430 total cpu time spent up to now is 161.2 secs Computing kpt #: 431 total cpu time spent up to now is 161.4 secs Computing kpt #: 432 total cpu time spent up to now is 161.6 secs Computing kpt #: 433 total cpu time spent up to now is 161.8 secs Computing kpt #: 434 total cpu time spent up to now is 161.9 secs Computing kpt #: 435 total cpu time spent up to now is 162.1 secs Computing kpt #: 436 total cpu time spent up to now is 162.3 secs Computing kpt #: 437 total cpu time spent up to now is 162.5 secs Computing kpt #: 438 total cpu time spent up to now is 162.6 secs Computing kpt #: 439 total cpu time spent up to now is 162.8 secs Computing kpt #: 440 total cpu time spent up to now is 163.0 secs Computing kpt #: 441 total cpu time spent up to now is 163.2 secs ethr = 5.56E-11, avg # of iterations = 15.3 total cpu time spent up to now is 163.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 893 PWs) bands (ev): -52.4899 -52.4899 -25.3145 -25.3145 -16.5586 -16.5586 -16.5586 -16.5586 -1.0176 -1.0176 9.5475 9.5475 9.5475 9.5475 9.6066 9.6066 15.3786 15.3786 17.0912 17.0912 17.0912 17.0912 22.2048 22.2048 22.2048 22.2048 k = 0.0075-0.0043 0.0061 ( 893 PWs) bands (ev): -52.4899 -52.4899 -25.3146 -25.3146 -16.5588 -16.5588 -16.5587 -16.5587 -1.0166 -1.0166 9.5460 9.5460 9.5485 9.5485 9.6067 9.6067 15.3829 15.3829 17.0841 17.0841 17.0960 17.0960 22.1976 22.1976 22.2127 22.2127 k = 0.0149-0.0086 0.0122 ( 893 PWs) bands (ev): -52.4899 -52.4899 -25.3148 -25.3148 -16.5597 -16.5597 -16.5590 -16.5590 -1.0136 -1.0136 9.5421 9.5421 9.5508 9.5508 9.6073 9.6073 15.3955 15.3955 17.0727 17.0727 17.1001 17.1001 22.1910 22.1910 22.2212 22.2212 k = 0.0224-0.0129 0.0183 ( 893 PWs) bands (ev): -52.4898 -52.4898 -25.3152 -25.3152 -16.5610 -16.5610 -16.5596 -16.5596 -1.0086 -1.0086 9.5347 9.5347 9.5544 9.5544 9.6092 9.6092 15.4165 15.4165 17.0558 17.0558 17.1049 17.1049 22.1850 22.1850 22.2303 22.2303 k = 0.0299-0.0172 0.0244 ( 893 PWs) bands (ev): -52.4897 -52.4897 -25.3157 -25.3157 -16.5629 -16.5629 -16.5603 -16.5603 -1.0017 -1.0017 9.5233 9.5233 9.5596 9.5596 9.6133 9.6133 15.4458 15.4458 17.0332 17.0332 17.1108 17.1108 22.1796 22.1796 22.2397 22.2397 k = 0.0373-0.0215 0.0305 ( 893 PWs) bands (ev): -52.4895 -52.4895 -25.3163 -25.3163 -16.5654 -16.5654 -16.5614 -16.5614 -0.9928 -0.9928 9.5075 9.5075 9.5663 9.5663 9.6199 9.6199 15.4830 15.4830 17.0048 17.0048 17.1181 17.1181 22.1748 22.1748 22.2495 22.2495 k = 0.0448-0.0259 0.0366 ( 901 PWs) bands (ev): -52.4894 -52.4894 -25.3173 -25.3173 -16.5687 -16.5687 -16.5626 -16.5626 -0.9819 -0.9819 9.4874 9.4874 9.5744 9.5744 9.6288 9.6288 15.5280 15.5280 16.9705 16.9705 17.1269 17.1269 22.1703 22.1703 22.2595 22.2595 k = 0.0522-0.0302 0.0427 ( 901 PWs) bands (ev): -52.4892 -52.4892 -25.3183 -25.3183 -16.5722 -16.5722 -16.5640 -16.5640 -0.9691 -0.9691 9.4636 9.4636 9.5841 9.5841 9.6401 9.6401 15.5804 15.5804 16.9309 16.9309 17.1372 17.1372 22.1662 22.1662 22.2695 22.2695 k = 0.0597-0.0345 0.0487 ( 893 PWs) bands (ev): -52.4889 -52.4889 -25.3192 -25.3192 -16.5760 -16.5760 -16.5655 -16.5655 -0.9545 -0.9545 9.4365 9.4365 9.5954 9.5954 9.6537 9.6537 15.6400 15.6400 16.8862 16.8862 17.1489 17.1489 22.1625 22.1625 22.2796 22.2796 k = 0.0672-0.0388 0.0548 ( 893 PWs) bands (ev): -52.4887 -52.4887 -25.3204 -25.3204 -16.5805 -16.5805 -16.5674 -16.5674 -0.9380 -0.9380 9.4062 9.4062 9.6082 9.6082 9.6691 9.6691 15.7063 15.7063 16.8368 16.8368 17.1622 17.1622 22.1586 22.1586 22.2892 22.2892 k = 0.0746-0.0431 0.0609 ( 893 PWs) bands (ev): -52.4884 -52.4884 -25.3218 -25.3218 -16.5855 -16.5855 -16.5695 -16.5695 -0.9198 -0.9198 9.3733 9.3733 9.6225 9.6225 9.6865 9.6865 15.7787 15.7787 16.7833 16.7833 17.1770 17.1770 22.1546 22.1546 22.2983 22.2983 k = 0.0821-0.0474 0.0670 ( 893 PWs) bands (ev): -52.4881 -52.4881 -25.3232 -25.3232 -16.5910 -16.5910 -16.5717 -16.5717 -0.8998 -0.8998 9.3380 9.3380 9.6384 9.6384 9.7058 9.7058 15.8564 15.8564 16.7263 16.7263 17.1932 17.1932 22.1502 22.1502 22.3068 22.3068 k = 0.0896-0.0517 0.0731 ( 889 PWs) bands (ev): -52.4877 -52.4877 -25.3248 -25.3248 -16.5969 -16.5969 -16.5741 -16.5741 -0.8781 -0.8781 9.3006 9.3006 9.6558 9.6558 9.7270 9.7270 15.9386 15.9386 16.6669 16.6669 17.2110 17.2110 22.1454 22.1454 22.3143 22.3143 k = 0.0970-0.0560 0.0792 ( 889 PWs) bands (ev): -52.4873 -52.4873 -25.3265 -25.3265 -16.6033 -16.6033 -16.5768 -16.5768 -0.8548 -0.8548 9.2615 9.2615 9.6747 9.6747 9.7499 9.7499 16.0232 16.0232 16.6071 16.6071 17.2302 17.2302 22.1396 22.1396 22.3206 22.3206 k = 0.1045-0.0603 0.0853 ( 889 PWs) bands (ev): -52.4870 -52.4870 -25.3284 -25.3284 -16.6101 -16.6101 -16.5796 -16.5796 -0.8299 -0.8299 9.2209 9.2209 9.6951 9.6951 9.7745 9.7745 16.1060 16.1060 16.5510 16.5510 17.2508 17.2508 22.1329 22.1329 22.3255 22.3255 k = 0.1119-0.0646 0.0914 ( 889 PWs) bands (ev): -52.4865 -52.4865 -25.3303 -25.3303 -16.6174 -16.6174 -16.5826 -16.5826 -0.8036 -0.8036 9.1793 9.1793 9.7171 9.7171 9.8009 9.8009 16.1765 16.1765 16.5093 16.5093 17.2729 17.2729 22.1248 22.1248 22.3288 22.3288 k = 0.1194-0.0689 0.0975 ( 889 PWs) bands (ev): -52.4861 -52.4861 -25.3324 -25.3324 -16.6250 -16.6250 -16.5858 -16.5858 -0.7758 -0.7758 9.1367 9.1367 9.7405 9.7405 9.8289 9.8289 16.2100 16.2100 16.5066 16.5066 17.2964 17.2964 22.1151 22.1151 22.3302 22.3302 k = 0.1269-0.0732 0.1036 ( 889 PWs) bands (ev): -52.4856 -52.4856 -25.3346 -25.3346 -16.6330 -16.6330 -16.5891 -16.5891 -0.7467 -0.7467 9.0935 9.0935 9.7654 9.7654 9.8586 9.8586 16.1893 16.1893 16.5602 16.5602 17.3213 17.3213 22.1036 22.1036 22.3295 22.3295 k = 0.1343-0.0776 0.1097 ( 889 PWs) bands (ev): -52.4851 -52.4851 -25.3369 -25.3369 -16.6413 -16.6413 -16.5926 -16.5926 -0.7162 -0.7162 9.0500 9.0500 9.7918 9.7918 9.8899 9.8899 16.1340 16.1340 16.6502 16.6502 17.3476 17.3476 22.0900 22.0900 22.3265 22.3265 k = 0.1418-0.0819 0.1158 ( 897 PWs) bands (ev): -52.4847 -52.4847 -25.3395 -25.3395 -16.6500 -16.6500 -16.5965 -16.5965 -0.6846 -0.6846 9.0062 9.0062 9.8194 9.8194 9.9227 9.9227 16.0636 16.0636 16.7572 16.7572 17.3752 17.3752 22.0739 22.0739 22.3207 22.3207 k = 0.1493-0.0862 0.1219 ( 897 PWs) bands (ev): -52.4842 -52.4842 -25.3420 -25.3420 -16.6590 -16.6590 -16.6003 -16.6003 -0.6519 -0.6519 8.9626 8.9626 9.8486 9.8486 9.9572 9.9572 15.9865 15.9865 16.8728 16.8728 17.4045 17.4045 22.0553 22.0553 22.3122 22.3122 k = 0.1567-0.0905 0.1280 ( 897 PWs) bands (ev): -52.4836 -52.4836 -25.3445 -25.3445 -16.6682 -16.6682 -16.6042 -16.6042 -0.6182 -0.6182 8.9193 8.9193 9.8792 9.8792 9.9931 9.9931 15.9056 15.9056 16.9937 16.9937 17.4354 17.4354 22.0338 22.0338 22.3006 22.3006 k = 0.1642-0.0948 0.1341 ( 897 PWs) bands (ev): -52.4831 -52.4831 -25.3472 -25.3472 -16.6777 -16.6777 -16.6082 -16.6082 -0.5836 -0.5836 8.8765 8.8765 9.9111 9.9111 10.0306 10.0306 15.8227 15.8227 17.1178 17.1178 17.4683 17.4683 22.0094 22.0094 22.2856 22.2856 k = 0.1716-0.0991 0.1401 ( 889 PWs) bands (ev): -52.4824 -52.4824 -25.3497 -25.3497 -16.6872 -16.6872 -16.6123 -16.6123 -0.5480 -0.5480 8.8344 8.8344 9.9443 9.9443 10.0695 10.0695 15.7386 15.7386 17.2431 17.2431 17.5042 17.5042 21.9818 21.9818 22.2673 22.2673 k = 0.1791-0.1034 0.1462 ( 885 PWs) bands (ev): -52.4818 -52.4818 -25.3524 -25.3524 -16.6970 -16.6970 -16.6165 -16.6165 -0.5118 -0.5118 8.7930 8.7930 9.9788 9.9788 10.1098 10.1098 15.6540 15.6540 17.3661 17.3661 17.5457 17.5457 21.9509 21.9509 22.2452 22.2452 k = 0.1866-0.1077 0.1523 ( 885 PWs) bands (ev): -52.4812 -52.4812 -25.3552 -25.3552 -16.7072 -16.7072 -16.6209 -16.6209 -0.4749 -0.4749 8.7525 8.7525 10.0145 10.0145 10.1515 10.1515 15.5694 15.5694 17.4762 17.4762 17.6025 17.6025 21.9166 21.9166 22.2192 22.2192 k = 0.1940-0.1120 0.1584 ( 885 PWs) bands (ev): -52.4806 -52.4806 -25.3581 -25.3581 -16.7175 -16.7175 -16.6253 -16.6253 -0.4375 -0.4375 8.7130 8.7130 10.0515 10.0515 10.1945 10.1945 15.4851 15.4851 17.5539 17.5539 17.6936 17.6936 21.8791 21.8791 22.1892 22.1892 k = 0.2015-0.1163 0.1645 ( 885 PWs) bands (ev): -52.4800 -52.4800 -25.3611 -25.3611 -16.7279 -16.7279 -16.6298 -16.6298 -0.3997 -0.3997 8.6747 8.6747 10.0895 10.0895 10.2387 10.2387 15.4015 15.4015 17.6054 17.6054 17.8119 17.8119 21.8385 21.8385 22.1552 22.1552 k = 0.2090-0.1206 0.1706 ( 885 PWs) bands (ev): -52.4793 -52.4793 -25.3641 -25.3641 -16.7384 -16.7384 -16.6344 -16.6344 -0.3615 -0.3615 8.6376 8.6376 10.1287 10.1287 10.2842 10.2842 15.3190 15.3190 17.6483 17.6483 17.9391 17.9391 21.7949 21.7949 22.1170 22.1170 k = 0.2164-0.1249 0.1767 ( 889 PWs) bands (ev): -52.4787 -52.4787 -25.3672 -25.3672 -16.7492 -16.7492 -16.6390 -16.6390 -0.3231 -0.3231 8.6018 8.6018 10.1690 10.1690 10.3308 10.3308 15.2378 15.2378 17.6887 17.6887 18.0680 18.0680 21.7485 21.7485 22.0747 22.0747 k = 0.2239-0.1293 0.1828 ( 881 PWs) bands (ev): -52.4780 -52.4780 -25.3701 -25.3701 -16.7597 -16.7597 -16.6436 -16.6436 -0.2844 -0.2844 8.5676 8.5676 10.2102 10.2102 10.3786 10.3786 15.1583 15.1583 17.7285 17.7285 18.1959 18.1959 21.7000 21.7000 22.0287 22.0287 k = 0.2313-0.1336 0.1889 ( 881 PWs) bands (ev): -52.4773 -52.4773 -25.3732 -25.3732 -16.7704 -16.7704 -16.6483 -16.6483 -0.2458 -0.2458 8.5348 8.5348 10.2524 10.2524 10.4274 10.4274 15.0806 15.0806 17.7681 17.7681 18.3209 18.3209 21.6494 21.6494 21.9785 21.9785 k = 0.2388-0.1379 0.1950 ( 881 PWs) bands (ev): -52.4767 -52.4767 -25.3762 -25.3762 -16.7811 -16.7811 -16.6530 -16.6530 -0.2073 -0.2073 8.5035 8.5035 10.2955 10.2955 10.4771 10.4771 15.0050 15.0050 17.8080 17.8080 18.4413 18.4413 21.5972 21.5972 21.9246 21.9246 k = 0.2463-0.1422 0.2011 ( 881 PWs) bands (ev): -52.4760 -52.4760 -25.3793 -25.3793 -16.7919 -16.7919 -16.6577 -16.6577 -0.1689 -0.1689 8.4738 8.4738 10.3394 10.3394 10.5277 10.5277 14.9317 14.9317 17.8481 17.8481 18.5557 18.5557 21.5437 21.5437 21.8672 21.8672 k = 0.2537-0.1465 0.2072 ( 881 PWs) bands (ev): -52.4754 -52.4754 -25.3824 -25.3824 -16.8026 -16.8026 -16.6624 -16.6624 -0.1307 -0.1307 8.4456 8.4456 10.3840 10.3840 10.5792 10.5792 14.8610 14.8610 17.8884 17.8884 18.6622 18.6622 21.4893 21.4893 21.8065 21.8065 k = 0.2612-0.1508 0.2133 ( 881 PWs) bands (ev): -52.4747 -52.4747 -25.3855 -25.3855 -16.8133 -16.8133 -16.6672 -16.6672 -0.0929 -0.0929 8.4191 8.4191 10.4293 10.4293 10.6314 10.6314 14.7930 14.7930 17.9289 17.9289 18.7589 18.7589 21.4340 21.4340 21.7428 21.7428 k = 0.2687-0.1551 0.2194 ( 881 PWs) bands (ev): -52.4740 -52.4740 -25.3886 -25.3886 -16.8238 -16.8238 -16.6719 -16.6719 -0.0555 -0.0555 8.3942 8.3942 10.4752 10.4752 10.6842 10.6842 14.7278 14.7278 17.9695 17.9695 18.8439 18.8439 21.3774 21.3774 21.6763 21.6763 k = 0.2761-0.1594 0.2255 ( 886 PWs) bands (ev): -52.4734 -52.4734 -25.3918 -25.3918 -16.8345 -16.8345 -16.6765 -16.6765 -0.0186 -0.0186 8.3708 8.3708 10.5216 10.5216 10.7376 10.7376 14.6657 14.6657 18.0102 18.0102 18.9152 18.9152 21.3192 21.3192 21.6073 21.6073 k = 0.2836-0.1637 0.2315 ( 886 PWs) bands (ev): -52.4728 -52.4728 -25.3948 -25.3948 -16.8448 -16.8448 -16.6812 -16.6812 0.0177 0.0177 8.3491 8.3491 10.5684 10.5684 10.7914 10.7914 14.6069 14.6069 18.0509 18.0509 18.9713 18.9713 21.2587 21.2587 21.5359 21.5359 k = 0.2910-0.1680 0.2376 ( 882 PWs) bands (ev): -52.4721 -52.4721 -25.3977 -25.3977 -16.8549 -16.8549 -16.6857 -16.6857 0.0533 0.0533 8.3289 8.3289 10.6156 10.6156 10.8456 10.8456 14.5514 14.5514 18.0915 18.0915 19.0111 19.0111 21.1955 21.1955 21.4624 21.4624 k = 0.2985-0.1723 0.2437 ( 882 PWs) bands (ev): -52.4714 -52.4714 -25.4007 -25.4007 -16.8649 -16.8649 -16.6902 -16.6902 0.0882 0.0882 8.3102 8.3102 10.6629 10.6629 10.9000 10.9000 14.4994 14.4994 18.1319 18.1319 19.0334 19.0334 21.1290 21.1290 21.3867 21.3867 k = 0.3060-0.1767 0.2498 ( 874 PWs) bands (ev): -52.4708 -52.4708 -25.4034 -25.4034 -16.8746 -16.8746 -16.6945 -16.6945 0.1222 0.1222 8.2931 8.2931 10.7104 10.7104 10.9546 10.9546 14.4510 14.4510 18.1721 18.1721 19.0388 19.0388 21.0595 21.0595 21.3095 21.3095 k = 0.3134-0.1810 0.2559 ( 874 PWs) bands (ev): -52.4701 -52.4701 -25.4063 -25.4063 -16.8843 -16.8843 -16.6989 -16.6989 0.1553 0.1553 8.2774 8.2774 10.7578 10.7578 11.0092 11.0092 14.4062 14.4062 18.2118 18.2118 19.0278 19.0278 20.9868 20.9868 21.2305 21.2305 k = 0.3209-0.1853 0.2620 ( 866 PWs) bands (ev): -52.4695 -52.4695 -25.4089 -25.4089 -16.8936 -16.8936 -16.7030 -16.7030 0.1875 0.1875 8.2631 8.2631 10.8051 10.8051 11.0636 11.0636 14.3651 14.3651 18.2510 18.2510 19.0018 19.0018 20.9118 20.9118 21.1503 21.1503 k = 0.3284-0.1896 0.2681 ( 866 PWs) bands (ev): -52.4689 -52.4689 -25.4116 -25.4116 -16.9028 -16.9028 -16.7072 -16.7072 0.2186 0.2186 8.2500 8.2500 10.8521 10.8521 11.1177 11.1177 14.3278 14.3278 18.2894 18.2894 18.9625 18.9625 20.8349 20.8349 21.0691 21.0691 k = 0.3358-0.1939 0.2742 ( 866 PWs) bands (ev): -52.4683 -52.4683 -25.4143 -25.4143 -16.9117 -16.9117 -16.7113 -16.7113 0.2487 0.2487 8.2383 8.2383 10.8988 10.8988 11.1714 11.1714 14.2943 14.2943 18.3270 18.3270 18.9119 18.9119 20.7568 20.7568 20.9874 20.9874 k = 0.3433-0.1982 0.2803 ( 866 PWs) bands (ev): -52.4678 -52.4678 -25.4169 -25.4169 -16.9204 -16.9204 -16.7152 -16.7152 0.2777 0.2777 8.2277 8.2277 10.9449 10.9449 11.2245 11.2245 14.2646 14.2646 18.3635 18.3635 18.8519 18.8519 20.6782 20.6782 20.9056 20.9056 k = 0.3507-0.2025 0.2864 ( 870 PWs) bands (ev): -52.4672 -52.4672 -25.4195 -25.4195 -16.9288 -16.9288 -16.7191 -16.7191 0.3055 0.3055 8.2183 8.2183 10.9903 10.9903 11.2768 11.2768 14.2386 14.2386 18.3986 18.3986 18.7846 18.7846 20.5996 20.5996 20.8241 20.8241 k = 0.3582-0.2068 0.2925 ( 870 PWs) bands (ev): -52.4667 -52.4667 -25.4219 -25.4219 -16.9369 -16.9369 -16.7228 -16.7228 0.3320 0.3320 8.2098 8.2098 11.0349 11.0349 11.3283 11.3283 14.2164 14.2164 18.4315 18.4315 18.7124 18.7124 20.5217 20.5217 20.7433 20.7433 k = 0.3657-0.2111 0.2986 ( 882 PWs) bands (ev): -52.4663 -52.4663 -25.4246 -25.4246 -16.9449 -16.9449 -16.7266 -16.7266 0.3574 0.3574 8.2023 8.2023 11.0784 11.0784 11.3786 11.3786 14.1977 14.1977 18.4600 18.4600 18.6388 18.6388 20.4449 20.4449 20.6635 20.6635 k = 0.3731-0.2154 0.3047 ( 882 PWs) bands (ev): -52.4658 -52.4658 -25.4268 -25.4268 -16.9523 -16.9523 -16.7300 -16.7300 0.3814 0.3814 8.1958 8.1958 11.1210 11.1210 11.4278 11.4278 14.1827 14.1827 18.4728 18.4728 18.5765 18.5765 20.3700 20.3700 20.5853 20.5853 k = 0.3806-0.2197 0.3108 ( 886 PWs) bands (ev): -52.4654 -52.4654 -25.4291 -25.4291 -16.9594 -16.9594 -16.7333 -16.7333 0.4042 0.4042 8.1899 8.1899 11.1622 11.1622 11.4755 11.4755 14.1709 14.1709 18.4346 18.4346 18.5620 18.5620 20.2971 20.2971 20.5091 20.5091 k = 0.3881-0.2240 0.3168 ( 886 PWs) bands (ev): -52.4649 -52.4649 -25.4311 -25.4311 -16.9661 -16.9661 -16.7364 -16.7364 0.4257 0.4257 8.1849 8.1849 11.2021 11.2021 11.5217 11.5217 14.1623 14.1623 18.3608 18.3608 18.5807 18.5807 20.2268 20.2268 20.4353 20.4353 k = 0.3955-0.2284 0.3229 ( 886 PWs) bands (ev): -52.4645 -52.4645 -25.4330 -25.4330 -16.9724 -16.9724 -16.7393 -16.7393 0.4458 0.4458 8.1806 8.1806 11.2403 11.2403 11.5660 11.5660 14.1568 14.1568 18.2798 18.2798 18.6053 18.6053 20.1594 20.1594 20.3642 20.3642 k = 0.4030-0.2327 0.3290 ( 886 PWs) bands (ev): -52.4641 -52.4641 -25.4348 -25.4348 -16.9783 -16.9783 -16.7421 -16.7421 0.4646 0.4646 8.1769 8.1769 11.2768 11.2768 11.6084 11.6084 14.1540 14.1540 18.1980 18.1980 18.6302 18.6302 20.0952 20.0952 20.2961 20.2961 k = 0.4104-0.2370 0.3351 ( 886 PWs) bands (ev): -52.4638 -52.4638 -25.4365 -25.4365 -16.9839 -16.9839 -16.7446 -16.7446 0.4820 0.4820 8.1737 8.1737 11.3114 11.3114 11.6486 11.6486 14.1536 14.1536 18.1174 18.1174 18.6541 18.6541 20.0347 20.0347 20.2316 20.2316 k = 0.4179-0.2413 0.3412 ( 886 PWs) bands (ev): -52.4634 -52.4634 -25.4381 -25.4381 -16.9890 -16.9890 -16.7470 -16.7470 0.4980 0.4980 8.1710 8.1710 11.3439 11.3439 11.6864 11.6864 14.1554 14.1554 18.0393 18.0393 18.6765 18.6765 19.9780 19.9780 20.1708 20.1708 k = 0.4254-0.2456 0.3473 ( 886 PWs) bands (ev): -52.4631 -52.4631 -25.4395 -25.4395 -16.9937 -16.9937 -16.7492 -16.7492 0.5126 0.5126 8.1688 8.1688 11.3741 11.3741 11.7217 11.7217 14.1589 14.1589 17.9647 17.9647 18.6972 18.6972 19.9254 19.9254 20.1142 20.1142 k = 0.4328-0.2499 0.3534 ( 886 PWs) bands (ev): -52.4628 -52.4628 -25.4408 -25.4408 -16.9979 -16.9979 -16.7512 -16.7512 0.5259 0.5259 8.1669 8.1669 11.4020 11.4020 11.7542 11.7542 14.1639 14.1639 17.8945 17.8945 18.7160 18.7160 19.8772 19.8772 20.0621 20.0621 k = 0.4403-0.2542 0.3595 ( 886 PWs) bands (ev): -52.4626 -52.4626 -25.4420 -25.4420 -17.0018 -17.0018 -16.7530 -16.7530 0.5378 0.5378 8.1653 8.1653 11.4274 11.4274 11.7839 11.7839 14.1698 14.1698 17.8292 17.8292 18.7329 18.7329 19.8336 19.8336 20.0147 20.0147 k = 0.4478-0.2585 0.3656 ( 886 PWs) bands (ev): -52.4623 -52.4623 -25.4430 -25.4430 -17.0051 -17.0051 -16.7546 -16.7546 0.5482 0.5482 8.1640 8.1640 11.4502 11.4502 11.8105 11.8105 14.1764 14.1764 17.7698 17.7698 18.7477 18.7477 19.7947 19.7947 19.9723 19.9723 k = 0.4552-0.2628 0.3717 ( 886 PWs) bands (ev): -52.4621 -52.4621 -25.4439 -25.4439 -17.0081 -17.0081 -16.7560 -16.7560 0.5573 0.5573 8.1630 8.1630 11.4702 11.4702 11.8338 11.8338 14.1831 14.1831 17.7168 17.7168 18.7605 18.7605 19.7607 19.7607 19.9351 19.9351 k = 0.4627-0.2671 0.3778 ( 886 PWs) bands (ev): -52.4620 -52.4620 -25.4447 -25.4447 -17.0106 -17.0106 -16.7572 -16.7572 0.5650 0.5650 8.1622 8.1622 11.4873 11.4873 11.8539 11.8539 14.1896 14.1896 17.6708 17.6708 18.7713 18.7713 19.7317 19.7317 19.9034 19.9034 k = 0.4701-0.2714 0.3839 ( 886 PWs) bands (ev): -52.4618 -52.4618 -25.4453 -25.4453 -17.0126 -17.0126 -16.7582 -16.7582 0.5713 0.5713 8.1615 8.1615 11.5015 11.5015 11.8705 11.8705 14.1955 14.1955 17.6324 17.6324 18.7800 18.7800 19.7078 19.7078 19.8772 19.8772 k = 0.4776-0.2757 0.3900 ( 886 PWs) bands (ev): -52.4617 -52.4617 -25.4458 -25.4458 -17.0142 -17.0142 -16.7589 -16.7589 0.5762 0.5762 8.1611 8.1611 11.5126 11.5126 11.8835 11.8835 14.2005 14.2005 17.6020 17.6020 18.7868 18.7868 19.6891 19.6891 19.8568 19.8568 k = 0.4851-0.2801 0.3961 ( 890 PWs) bands (ev): -52.4617 -52.4617 -25.4462 -25.4462 -17.0154 -17.0154 -16.7596 -16.7596 0.5797 0.5797 8.1607 8.1607 11.5205 11.5205 11.8928 11.8928 14.2043 14.2043 17.5801 17.5801 18.7915 18.7915 19.6757 19.6757 19.8421 19.8421 k = 0.4925-0.2844 0.4022 ( 894 PWs) bands (ev): -52.4616 -52.4616 -25.4465 -25.4465 -17.0162 -17.0162 -16.7599 -16.7599 0.5818 0.5818 8.1605 8.1605 11.5252 11.5252 11.8984 11.8984 14.2066 14.2066 17.5666 17.5666 18.7944 18.7944 19.6676 19.6676 19.8332 19.8332 k = 0.5000-0.2887 0.4082 ( 894 PWs) bands (ev): -52.4616 -52.4616 -25.4466 -25.4466 -17.0165 -17.0165 -16.7601 -16.7601 0.5825 0.5825 8.1604 8.1604 11.5268 11.5268 11.9002 11.9002 14.2074 14.2074 17.5621 17.5621 18.7953 18.7953 19.6649 19.6649 19.8303 19.8303 k = 0.5000-0.2887 0.4082 ( 894 PWs) bands (ev): -52.4616 -52.4616 -25.4466 -25.4466 -17.0165 -17.0165 -16.7601 -16.7601 0.5825 0.5825 8.1604 8.1604 11.5268 11.5268 11.9002 11.9002 14.2074 14.2074 17.5621 17.5621 18.7953 18.7953 19.6649 19.6649 19.8303 19.8303 k = 0.5000-0.2802 0.4143 ( 894 PWs) bands (ev): -52.4616 -52.4616 -25.4473 -25.4459 -17.0188 -17.0140 -16.7601 -16.7601 0.5737 0.5913 8.1614 8.1626 11.5198 11.5321 11.8981 11.9002 14.2005 14.2134 17.5402 17.5776 18.7703 18.8143 19.6469 19.6870 19.8142 19.8602 k = 0.5000-0.2717 0.4203 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4478 -25.4451 -17.0209 -17.0113 -16.7603 -16.7603 0.5652 0.6001 8.1656 8.1678 11.5111 11.5355 11.8942 11.8981 14.1925 14.2183 17.5120 17.5864 18.7417 18.8249 19.6388 19.7081 19.8087 19.9061 k = 0.5000-0.2632 0.4263 ( 890 PWs) bands (ev): -52.4616 -52.4616 -25.4485 -25.4445 -17.0229 -17.0085 -16.7609 -16.7608 0.5567 0.6091 8.1728 8.1762 11.5006 11.5364 11.8884 11.8936 14.1835 14.2221 17.4779 17.5885 18.7119 18.8256 19.6437 19.7266 19.8116 19.9670 k = 0.5000-0.2547 0.4323 ( 894 PWs) bands (ev): -52.4616 -52.4616 -25.4493 -25.4439 -17.0249 -17.0056 -16.7616 -16.7615 0.5483 0.6180 8.1831 8.1875 11.4884 11.5348 11.8814 11.8869 14.1735 14.2249 17.4383 17.5839 18.6825 18.8171 19.6614 19.7430 19.8225 20.0397 k = 0.5000-0.2462 0.4383 ( 894 PWs) bands (ev): -52.4616 -52.4616 -25.4500 -25.4433 -17.0266 -17.0025 -16.7625 -16.7623 0.5402 0.6270 8.1965 8.2020 11.4746 11.5301 11.8736 11.8782 14.1627 14.2268 17.3941 17.5730 18.6548 18.8011 19.6884 19.7587 19.8429 20.1211 k = 0.5000-0.2377 0.4443 ( 894 PWs) bands (ev): -52.4616 -52.4616 -25.4506 -25.4426 -17.0281 -16.9993 -16.7636 -16.7632 0.5321 0.6360 8.2129 8.2195 11.4589 11.5220 11.8656 11.8676 14.1509 14.2277 17.3458 17.5560 18.6294 18.7801 19.7191 19.7747 19.8755 20.2088 k = 0.5000-0.2292 0.4503 ( 896 PWs) bands (ev): -52.4616 -52.4616 -25.4514 -25.4420 -17.0296 -16.9959 -16.7649 -16.7644 0.5243 0.6449 8.2324 8.2401 11.4410 11.5097 11.8554 11.8577 14.1384 14.2276 17.2942 17.5333 18.6067 18.7566 19.7483 19.7915 19.9223 20.3010 k = 0.5000-0.2208 0.4563 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4518 -25.4412 -17.0306 -16.9922 -16.7664 -16.7655 0.5167 0.6538 8.2549 8.2637 11.4210 11.4930 11.8418 11.8505 14.1251 14.2268 17.2403 17.5057 18.5867 18.7326 19.7744 19.8092 19.9825 20.3963 k = 0.5000-0.2123 0.4623 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4524 -25.4406 -17.0317 -16.9885 -16.7681 -16.7669 0.5093 0.6626 8.2804 8.2902 11.3983 11.4715 11.8271 11.8445 14.1112 14.2252 17.1845 17.4733 18.5695 18.7095 19.7980 19.8278 20.0525 20.4936 k = 0.5000-0.2038 0.4683 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4531 -25.4400 -17.0326 -16.9847 -16.7700 -16.7684 0.5021 0.6713 8.3088 8.3196 11.3728 11.4449 11.8118 11.8398 14.0967 14.2228 17.1277 17.4371 18.5547 18.6882 19.8206 19.8475 20.1293 20.5920 k = 0.5000-0.1953 0.4743 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4537 -25.4394 -17.0335 -16.9807 -16.7721 -16.7699 0.4952 0.6799 8.3400 8.3518 11.3442 11.4134 11.7962 11.8366 14.0818 14.2197 17.0705 17.3978 18.5422 18.6691 19.8430 19.8682 20.2106 20.6909 k = 0.5000-0.1868 0.4803 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4542 -25.4388 -17.0342 -16.9766 -16.7744 -16.7716 0.4885 0.6884 8.3741 8.3869 11.3123 11.3769 11.7805 11.8348 14.0665 14.2161 17.0136 17.3561 18.5318 18.6524 19.8657 19.8897 20.2945 20.7896 k = 0.5000-0.1783 0.4863 ( 884 PWs) bands (ev): -52.4616 -52.4616 -25.4547 -25.4381 -17.0347 -16.9724 -16.7767 -16.7732 0.4820 0.6967 8.4110 8.4248 11.2768 11.3358 11.7653 11.8344 14.0509 14.2120 16.9575 17.3128 18.5234 18.6382 19.8890 19.9120 20.3798 20.8876 k = 0.5000-0.1698 0.4923 ( 884 PWs) bands (ev): -52.4616 -52.4616 -25.4553 -25.4376 -17.0352 -16.9681 -16.7794 -16.7750 0.4758 0.7048 8.4506 8.4653 11.2376 11.2904 11.7506 11.8350 14.0352 14.2074 16.9025 17.2686 18.5164 18.6261 19.9128 19.9349 20.4654 20.9843 k = 0.5000-0.1613 0.4983 ( 884 PWs) bands (ev): -52.4616 -52.4616 -25.4558 -25.4371 -17.0356 -16.9636 -16.7823 -16.7769 0.4699 0.7126 8.4928 8.5084 11.1947 11.2409 11.7367 11.8364 14.0194 14.2025 16.8492 17.2241 18.5109 18.6161 19.9370 19.9582 20.5505 21.0792 k = 0.5000-0.1528 0.5043 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4564 -25.4366 -17.0359 -16.9592 -16.7854 -16.7789 0.4642 0.7203 8.5375 8.5540 11.1482 11.1878 11.7237 11.8385 14.0037 14.1972 16.7978 17.1798 18.5064 18.6078 19.9615 19.9816 20.6345 21.1720 k = 0.5000-0.1443 0.5103 ( 884 PWs) bands (ev): -52.4616 -52.4616 -25.4568 -25.4361 -17.0360 -16.9545 -16.7886 -16.7807 0.4588 0.7277 8.5847 8.6021 11.0981 11.1313 11.7117 11.8412 13.9882 14.1918 16.7485 17.1363 18.5031 18.6012 19.9863 20.0053 20.7167 21.2622 k = 0.5000-0.1358 0.5163 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4574 -25.4357 -17.0361 -16.9498 -16.7921 -16.7828 0.4537 0.7348 8.6343 8.6525 11.0446 11.0718 11.7006 11.8442 13.9729 14.1863 16.7016 17.0939 18.5006 18.5959 20.0111 20.0288 20.7967 21.3494 k = 0.5000-0.1274 0.5223 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4578 -25.4353 -17.0360 -16.9450 -16.7957 -16.7847 0.4489 0.7416 8.6860 8.7051 10.9881 11.0096 11.6906 11.8475 13.9579 14.1807 16.6573 17.0531 18.4989 18.5917 20.0358 20.0520 20.8740 21.4332 k = 0.5000-0.1189 0.5283 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4582 -25.4348 -17.0360 -16.9401 -16.7994 -16.7866 0.4444 0.7480 8.7399 8.7598 10.9287 10.9451 11.6815 11.8509 13.9435 14.1751 16.6156 17.0141 18.4977 18.5886 20.0601 20.0747 20.9482 21.5134 k = 0.5000-0.1104 0.5343 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4586 -25.4344 -17.0358 -16.9352 -16.8032 -16.7884 0.4401 0.7541 8.7956 8.8163 10.8668 10.8787 11.6733 11.8544 13.9296 14.1696 16.5767 16.9771 18.4971 18.5863 20.0838 20.0969 21.0188 21.5895 k = 0.5000-0.1019 0.5403 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4590 -25.4341 -17.0357 -16.9302 -16.8073 -16.7902 0.4362 0.7599 8.8531 8.8746 10.8028 10.8106 11.6660 11.8579 13.9164 14.1642 16.5407 16.9424 18.4969 18.5846 20.1068 20.1182 21.0856 21.6614 k = 0.5000-0.0934 0.5463 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4594 -25.4337 -17.0354 -16.9251 -16.8114 -16.7920 0.4326 0.7652 8.9121 8.9343 10.7370 10.7412 11.6595 11.8614 13.9040 14.1590 16.5076 16.9102 18.4970 18.5834 20.1287 20.1384 21.1482 21.7285 k = 0.5000-0.0849 0.5523 ( 892 PWs) bands (ev): -52.4616 -52.4616 -25.4598 -25.4335 -17.0353 -16.9201 -16.8157 -16.7936 0.4293 0.7702 8.9722 8.9951 10.6699 10.6710 11.6537 11.8646 13.8923 14.1541 16.4772 16.8803 18.4973 18.5827 20.1495 20.1576 21.2064 21.7908 k = 0.5000-0.0764 0.5583 ( 890 PWs) bands (ev): -52.4616 -52.4616 -25.4600 -25.4332 -17.0350 -16.9149 -16.8200 -16.7951 0.4263 0.7747 9.0332 9.0569 10.6006 10.6021 11.6486 11.8678 13.8815 14.1495 16.4498 16.8532 18.4979 18.5823 20.1690 20.1754 21.2598 21.8480 k = 0.5000-0.0679 0.5643 ( 890 PWs) bands (ev): -52.4616 -52.4616 -25.4603 -25.4329 -17.0348 -16.9098 -16.8245 -16.7966 0.4236 0.7788 9.0946 9.1190 10.5304 10.5341 11.6442 11.8706 13.8717 14.1453 16.4254 16.8288 18.4985 18.5821 20.1869 20.1918 21.3083 21.8998 k = 0.5000-0.0594 0.5703 ( 890 PWs) bands (ev): -52.4616 -52.4616 -25.4605 -25.4327 -17.0345 -16.9047 -16.8290 -16.7978 0.4212 0.7825 9.1558 9.1809 10.4611 10.4666 11.6403 11.8732 13.8629 14.1414 16.4039 16.8072 18.4991 18.5822 20.2032 20.2066 21.3516 21.9460 k = 0.5000-0.0509 0.5764 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4607 -25.4325 -17.0343 -16.8996 -16.8335 -16.7989 0.4191 0.7857 9.2159 9.2418 10.3939 10.4007 11.6371 11.8756 13.8552 14.1380 16.3853 16.7884 18.4999 18.5824 20.2176 20.2197 21.3895 21.9864 k = 0.5000-0.0425 0.5824 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4608 -25.4323 -17.0341 -16.8946 -16.8380 -16.7999 0.4174 0.7884 9.2738 9.3005 10.3297 10.3375 11.6344 11.8775 13.8486 14.1351 16.3696 16.7724 18.5005 18.5826 20.2300 20.2310 21.4219 22.0209 k = 0.5000-0.0340 0.5884 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4610 -25.4321 -17.0339 -16.8898 -16.8425 -16.8007 0.4160 0.7907 9.3279 9.3554 10.2705 10.2789 11.6322 11.8792 13.8431 14.1327 16.3568 16.7593 18.5011 18.5828 20.2403 20.2403 21.4486 22.0494 k = 0.5000-0.0255 0.5944 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4611 -25.4320 -17.0337 -16.8852 -16.8468 -16.8014 0.4148 0.7924 9.3757 9.4041 10.2185 10.2272 11.6305 11.8805 13.8388 14.1307 16.3469 16.7491 18.5016 18.5830 20.2477 20.2485 21.4695 22.0716 k = 0.5000-0.0170 0.6004 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4612 -25.4320 -17.0336 -16.8811 -16.8507 -16.8018 0.4140 0.7937 9.4142 9.4434 10.1771 10.1857 11.6293 11.8814 13.8358 14.1293 16.3398 16.7419 18.5019 18.5832 20.2530 20.2543 21.4845 22.0875 k = 0.5000-0.0085 0.6064 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4612 -25.4319 -17.0336 -16.8780 -16.8537 -16.8021 0.4136 0.7944 9.4396 9.4694 10.1499 10.1583 11.6286 11.8820 13.8339 14.1285 16.3355 16.7375 18.5022 18.5833 20.2562 20.2579 21.4935 22.0971 k = 0.5000 0.0000 0.6124 ( 892 PWs) bands (ev): -52.4616 -52.4616 -25.4613 -25.4320 -17.0336 -16.8768 -16.8550 -16.8023 0.4134 0.7947 9.4486 9.4786 10.1403 10.1487 11.6283 11.8821 13.8333 14.1282 16.3341 16.7360 18.5022 18.5832 20.2572 20.2590 21.4965 22.1003 k = 0.5000 0.0000 0.6124 ( 892 PWs) bands (ev): -52.4616 -52.4616 -25.4613 -25.4320 -17.0336 -16.8768 -16.8550 -16.8023 0.4134 0.7947 9.4486 9.4786 10.1403 10.1487 11.6283 11.8821 13.8333 14.1282 16.3341 16.7360 18.5022 18.5832 20.2572 20.2590 21.4965 22.1003 k = 0.4948 0.0090 0.6124 ( 890 PWs) bands (ev): -52.4616 -52.4616 -25.4612 -25.4319 -17.0335 -16.8774 -16.8542 -16.8021 0.4133 0.7943 9.4441 9.4745 10.1444 10.1533 11.6276 11.8815 13.8348 14.1287 16.3357 16.7373 18.5003 18.5829 20.2454 20.2735 21.4945 22.0981 k = 0.4896 0.0180 0.6124 ( 884 PWs) bands (ev): -52.4616 -52.4616 -25.4610 -25.4318 -17.0334 -16.8790 -16.8523 -16.8016 0.4131 0.7933 9.4314 9.4623 10.1557 10.1677 11.6255 11.8795 13.8389 14.1299 16.3409 16.7414 18.4943 18.5817 20.2351 20.2920 21.4887 22.0913 k = 0.4844 0.0271 0.6124 ( 884 PWs) bands (ev): -52.4616 -52.4616 -25.4609 -25.4317 -17.0335 -16.8813 -16.8498 -16.8009 0.4127 0.7917 9.4115 9.4429 10.1733 10.1913 11.6218 11.8760 13.8453 14.1313 16.3498 16.7485 18.4835 18.5792 20.2274 20.3137 21.4790 22.0801 k = 0.4792 0.0361 0.6124 ( 884 PWs) bands (ev): -52.4616 -52.4616 -25.4608 -25.4317 -17.0336 -16.8840 -16.8470 -16.7999 0.4122 0.7895 9.3860 9.4174 10.1963 10.2226 11.6166 11.8710 13.8535 14.1326 16.3629 16.7589 18.4680 18.5751 20.2224 20.3383 21.4653 22.0644 k = 0.4740 0.0451 0.6124 ( 884 PWs) bands (ev): -52.4616 -52.4616 -25.4606 -25.4317 -17.0337 -16.8868 -16.8439 -16.7987 0.4117 0.7868 9.3562 9.3874 10.2240 10.2603 11.6098 11.8644 13.8632 14.1334 16.3804 16.7730 18.4477 18.5685 20.2204 20.3658 21.4480 22.0445 k = 0.4688 0.0541 0.6124 ( 884 PWs) bands (ev): -52.4617 -52.4617 -25.4603 -25.4316 -17.0339 -16.8896 -16.8408 -16.7972 0.4111 0.7837 9.3236 9.3541 10.2553 10.3029 11.6015 11.8560 13.8739 14.1335 16.4026 16.7910 18.4230 18.5589 20.2214 20.3959 21.4270 22.0206 k = 0.4635 0.0631 0.6124 ( 884 PWs) bands (ev): -52.4617 -52.4617 -25.4601 -25.4316 -17.0342 -16.8923 -16.8377 -16.7957 0.4104 0.7802 9.2891 9.3189 10.2895 10.3493 11.5916 11.8458 13.8853 14.1328 16.4294 16.8130 18.3940 18.5458 20.2256 20.4284 21.4028 21.9928 k = 0.4583 0.0722 0.6124 ( 884 PWs) bands (ev): -52.4617 -52.4617 -25.4598 -25.4315 -17.0345 -16.8950 -16.8347 -16.7939 0.4097 0.7764 9.2537 9.2827 10.3259 10.3988 11.5801 11.8336 13.8971 14.1312 16.4611 16.8393 18.3610 18.5286 20.2329 20.4630 21.3755 21.9616 k = 0.4531 0.0812 0.6124 ( 886 PWs) bands (ev): -52.4618 -52.4618 -25.4596 -25.4315 -17.0348 -16.8977 -16.8317 -16.7921 0.4090 0.7723 9.2181 9.2462 10.3641 10.4507 11.5669 11.8193 13.9090 14.1287 16.4973 16.8697 18.3240 18.5072 20.2434 20.4993 21.3455 21.9271 k = 0.4479 0.0902 0.6124 ( 886 PWs) bands (ev): -52.4618 -52.4618 -25.4592 -25.4315 -17.0352 -16.9002 -16.8288 -16.7902 0.4084 0.7681 9.1830 9.2101 10.4033 10.5043 11.5522 11.8027 13.9208 14.1253 16.5382 16.9044 18.2834 18.4814 20.2569 20.5371 21.3131 21.8898 k = 0.4427 0.0992 0.6124 ( 887 PWs) bands (ev): -52.4619 -52.4619 -25.4590 -25.4315 -17.0356 -16.9025 -16.8260 -16.7883 0.4077 0.7637 9.1489 9.1750 10.4434 10.5594 11.5359 11.7838 13.9322 14.1211 16.5835 16.9433 18.2394 18.4512 20.2732 20.5761 21.2790 21.8500 k = 0.4375 0.1083 0.6124 ( 887 PWs) bands (ev): -52.4619 -52.4619 -25.4587 -25.4314 -17.0360 -16.9047 -16.8234 -16.7864 0.4071 0.7593 9.1161 9.1412 10.4839 10.6154 11.5181 11.7625 13.9432 14.1163 16.6329 16.9863 18.1919 18.4165 20.2923 20.6157 21.2435 21.8080 k = 0.4323 0.1173 0.6124 ( 887 PWs) bands (ev): -52.4619 -52.4619 -25.4583 -25.4314 -17.0364 -16.9068 -16.8208 -16.7845 0.4066 0.7549 9.0851 9.1092 10.5245 10.6721 11.4990 11.7386 13.9536 14.1111 16.6862 17.0332 18.1414 18.3774 20.3139 20.6555 21.2074 21.7641 k = 0.4271 0.1263 0.6124 ( 891 PWs) bands (ev): -52.4620 -52.4620 -25.4581 -25.4315 -17.0369 -16.9088 -16.8185 -16.7828 0.4060 0.7506 9.0561 9.0791 10.5648 10.7292 11.4786 11.7122 13.9632 14.1055 16.7431 17.0837 18.0878 18.3342 20.3377 20.6948 21.1713 21.7187 k = 0.4219 0.1353 0.6124 ( 894 PWs) bands (ev): -52.4621 -52.4621 -25.4579 -25.4315 -17.0373 -16.9106 -16.8163 -16.7812 0.4056 0.7464 9.0293 9.0513 10.6046 10.7865 11.4571 11.6833 13.9721 14.0998 16.8030 17.1376 18.0315 18.2870 20.3636 20.7326 21.1367 21.6722 k = 0.4167 0.1443 0.6124 ( 894 PWs) bands (ev): -52.4621 -52.4621 -25.4577 -25.4315 -17.0377 -16.9121 -16.8143 -16.7796 0.4052 0.7425 9.0049 9.0259 10.6434 10.8437 11.4350 11.6519 13.9802 14.0941 16.8659 17.1946 17.9726 18.2362 20.3914 20.7672 21.1054 21.6248 k = 0.4115 0.1534 0.6124 ( 894 PWs) bands (ev): -52.4621 -52.4621 -25.4574 -25.4315 -17.0381 -16.9135 -16.8124 -16.7782 0.4048 0.7389 8.9830 9.0031 10.6809 10.9004 11.4126 11.6182 13.9875 14.0886 16.9312 17.2544 17.9113 18.1820 20.4207 20.7956 21.0806 21.5768 k = 0.4062 0.1624 0.6124 ( 888 PWs) bands (ev): -52.4621 -52.4621 -25.4571 -25.4313 -17.0384 -16.9146 -16.8106 -16.7767 0.4046 0.7357 8.9639 8.9831 10.7165 10.9565 11.3904 11.5823 13.9940 14.0835 16.9985 17.3164 17.8479 18.1249 20.4514 20.8137 21.0668 21.5286 k = 0.4010 0.1714 0.6124 ( 886 PWs) bands (ev): -52.4621 -52.4621 -25.4568 -25.4313 -17.0387 -16.9156 -16.8092 -16.7756 0.4043 0.7328 8.9476 8.9659 10.7495 11.0113 11.3691 11.5443 13.9996 14.0789 17.0674 17.3803 17.7826 18.0652 20.4830 20.8169 21.0685 21.4803 k = 0.3958 0.1804 0.6124 ( 886 PWs) bands (ev): -52.4621 -52.4621 -25.4567 -25.4313 -17.0389 -16.9165 -16.8080 -16.7747 0.4042 0.7304 8.9341 8.9518 10.7789 11.0641 11.3498 11.5048 14.0042 14.0748 17.1375 17.4453 17.7158 18.0035 20.5151 20.8055 21.0859 21.4321 k = 0.3906 0.1894 0.6124 ( 886 PWs) bands (ev): -52.4622 -52.4621 -25.4565 -25.4313 -17.0392 -16.9172 -16.8070 -16.7739 0.4040 0.7285 8.9236 8.9407 10.8037 11.1138 11.3339 11.4645 14.0080 14.0714 17.2081 17.5104 17.6481 17.9407 20.5471 20.7843 21.1148 21.3846 k = 0.3854 0.1985 0.6124 ( 886 PWs) bands (ev): -52.4622 -52.4622 -25.4564 -25.4313 -17.0393 -16.9177 -16.8064 -16.7734 0.4039 0.7271 8.9160 8.9327 10.8228 11.1578 11.3236 11.4248 14.0108 14.0689 17.2785 17.5661 17.5884 17.8783 20.5773 20.7591 21.1503 21.3383 k = 0.3802 0.2075 0.6124 ( 890 PWs) bands (ev): -52.4622 -52.4622 -25.4565 -25.4314 -17.0395 -16.9180 -16.8060 -16.7732 0.4039 0.7263 8.9115 8.9278 10.8349 11.1904 11.3217 11.3896 14.0125 14.0673 17.3457 17.5116 17.6352 17.8210 20.6021 20.7364 21.1874 21.2956 k = 0.3750 0.2165 0.6124 ( 890 PWs) bands (ev): -52.4622 -52.4622 -25.4565 -25.4314 -17.0395 -16.9181 -16.8059 -16.7730 0.4038 0.7260 8.9100 8.9262 10.8390 11.2029 11.3251 11.3721 14.0130 14.0667 17.3876 17.4704 17.6655 17.7908 20.6128 20.7263 21.2104 21.2707 k = 0.3750 0.2165 0.6124 ( 890 PWs) bands (ev): -52.4622 -52.4622 -25.4565 -25.4314 -17.0395 -16.9181 -16.8059 -16.7730 0.4038 0.7260 8.9100 8.9262 10.8390 11.2029 11.3251 11.3721 14.0130 14.0667 17.3876 17.4704 17.6655 17.7908 20.6128 20.7263 21.2104 21.2707 k = 0.3697 0.2135 0.6037 ( 890 PWs) bands (ev): -52.4623 -52.4623 -25.4562 -25.4307 -17.0392 -16.9133 -16.8078 -16.7721 0.3961 0.7240 8.9620 8.9788 10.7851 11.1656 11.2739 11.3344 14.0303 14.0940 17.3414 17.4946 17.6785 17.7474 20.6453 20.7923 21.2670 21.2984 k = 0.3644 0.2104 0.5951 ( 890 PWs) bands (ev): -52.4624 -52.4624 -25.4559 -25.4300 -17.0387 -16.9087 -16.8094 -16.7709 0.3881 0.7210 9.0140 9.0316 10.7291 11.1232 11.2238 11.2962 14.0551 14.1279 17.2875 17.4968 17.7011 17.7278 20.6737 20.8586 21.3204 21.3234 k = 0.3592 0.2074 0.5865 ( 886 PWs) bands (ev): -52.4625 -52.4625 -25.4554 -25.4291 -17.0381 -16.9043 -16.8104 -16.7693 0.3799 0.7169 9.0659 9.0843 10.6712 11.0740 11.1767 11.2577 14.0878 14.1687 17.2295 17.4702 17.7294 17.7383 20.6979 20.9252 21.3369 21.3801 k = 0.3539 0.2043 0.5779 ( 886 PWs) bands (ev): -52.4627 -52.4627 -25.4550 -25.4284 -17.0373 -16.9003 -16.8110 -16.7676 0.3713 0.7117 9.1175 9.1367 10.6114 11.0174 11.1335 11.2191 14.1286 14.2167 17.1694 17.4238 17.7607 17.7692 20.7180 20.9917 21.3483 21.4371 k = 0.3486 0.2013 0.5692 ( 886 PWs) bands (ev): -52.4628 -52.4628 -25.4544 -25.4276 -17.0363 -16.8966 -16.8109 -16.7656 0.3624 0.7053 9.1685 9.1886 10.5501 10.9545 11.0937 11.1803 14.1774 14.2719 17.1084 17.3681 17.7934 17.8096 20.7345 21.0583 21.3550 21.4945 k = 0.3433 0.1982 0.5606 ( 887 PWs) bands (ev): -52.4630 -52.4630 -25.4537 -25.4268 -17.0352 -16.8934 -16.8102 -16.7634 0.3531 0.6978 9.2188 9.2400 10.4872 10.8867 11.0561 11.1417 14.2343 14.3346 17.0471 17.3085 17.8264 17.8536 20.7477 21.1247 21.3577 21.5523 k = 0.3380 0.1952 0.5520 ( 891 PWs) bands (ev): -52.4632 -52.4632 -25.4531 -25.4260 -17.0338 -16.8907 -16.8089 -16.7611 0.3434 0.6891 9.2683 9.2905 10.4231 10.8156 11.0198 11.1031 14.2992 14.4047 16.9860 17.2474 17.8587 17.8985 20.7583 21.1906 21.3572 21.6105 k = 0.3327 0.1921 0.5434 ( 893 PWs) bands (ev): -52.4634 -52.4634 -25.4522 -25.4252 -17.0323 -16.8885 -16.8069 -16.7585 0.3332 0.6791 9.3168 9.3400 10.3581 10.7420 10.9842 11.0648 14.3719 14.4821 16.9254 17.1860 17.8894 17.9424 20.7668 21.2553 21.3549 21.6691 k = 0.3275 0.1891 0.5347 ( 887 PWs) bands (ev): -52.4636 -52.4636 -25.4511 -25.4241 -17.0302 -16.8864 -16.8040 -16.7555 0.3227 0.6680 9.3641 9.3884 10.2924 10.6669 10.9492 11.0267 14.4523 14.5668 16.8657 17.1249 17.9178 17.9844 20.7742 21.3124 21.3580 21.7280 k = 0.3222 0.1860 0.5261 ( 883 PWs) bands (ev): -52.4638 -52.4638 -25.4499 -25.4230 -17.0279 -16.8848 -16.8004 -16.7524 0.3116 0.6557 9.4102 9.4353 10.2263 10.5906 10.9145 10.9890 14.5400 14.6586 16.8070 17.0647 17.9432 18.0234 20.7810 21.3292 21.3996 21.7872 k = 0.3169 0.1830 0.5175 ( 881 PWs) bands (ev): -52.4640 -52.4640 -25.4487 -25.4219 -17.0254 -16.8836 -16.7964 -16.7491 0.3000 0.6421 9.4548 9.4807 10.1600 10.5140 10.8801 10.9517 14.6347 14.7572 16.7496 17.0055 17.9647 18.0586 20.7879 21.3244 21.4619 21.8464 k = 0.3116 0.1799 0.5089 ( 881 PWs) bands (ev): -52.4643 -52.4643 -25.4474 -25.4209 -17.0227 -16.8826 -16.7918 -16.7456 0.2879 0.6272 9.4978 9.5243 10.0940 10.4375 10.8460 10.9146 14.7361 14.8624 16.6935 16.9476 17.9820 18.0893 20.7958 21.3170 21.5263 21.9055 k = 0.3063 0.1769 0.5002 ( 881 PWs) bands (ev): -52.4645 -52.4645 -25.4461 -25.4197 -17.0196 -16.8816 -16.7868 -16.7420 0.2752 0.6111 9.5390 9.5657 10.0285 10.3617 10.8121 10.8779 14.8438 14.9739 16.6389 16.8913 17.9943 18.1150 20.8054 21.3099 21.5909 21.9644 k = 0.3011 0.1738 0.4916 ( 881 PWs) bands (ev): -52.4648 -52.4648 -25.4446 -25.4185 -17.0162 -16.8808 -16.7815 -16.7382 0.2619 0.5938 9.5781 9.6045 9.9643 10.2874 10.7786 10.8417 14.9574 15.0913 16.5861 16.8368 18.0015 18.1351 20.8171 21.3039 21.6552 22.0231 k = 0.2958 0.1708 0.4830 ( 881 PWs) bands (ev): -52.4651 -52.4651 -25.4429 -25.4173 -17.0124 -16.8798 -16.7759 -16.7342 0.2480 0.5751 9.6144 9.6401 9.9021 10.2154 10.7453 10.8058 15.0763 15.2141 16.5353 16.7843 18.0031 18.1492 20.8316 21.2997 21.7191 22.0813 k = 0.2905 0.1677 0.4744 ( 885 PWs) bands (ev): -52.4655 -52.4655 -25.4413 -25.4161 -17.0082 -16.8788 -16.7702 -16.7303 0.2335 0.5553 9.6459 9.6713 9.8440 10.1469 10.7123 10.7703 15.2002 15.3418 16.4865 16.7340 17.9989 18.1571 20.8490 21.2978 21.7824 22.1388 k = 0.2852 0.1647 0.4657 ( 889 PWs) bands (ev): -52.4659 -52.4659 -25.4396 -25.4148 -17.0038 -16.8778 -16.7642 -16.7261 0.2182 0.5342 9.6663 9.6963 9.7966 10.0841 10.6797 10.7353 15.3283 15.4738 16.4402 16.6862 17.9891 18.1585 20.8694 21.2982 21.8450 22.1956 k = 0.2799 0.1616 0.4571 ( 887 PWs) bands (ev): -52.4662 -52.4662 -25.4376 -25.4133 -16.9989 -16.8763 -16.7580 -16.7217 0.2023 0.5119 9.6583 9.7116 9.7774 10.0307 10.6476 10.7008 15.4600 15.6093 16.3968 16.6413 17.9736 18.1535 20.8931 21.3010 21.9069 22.2514 k = 0.2746 0.1586 0.4485 ( 891 PWs) bands (ev): -52.4666 -52.4666 -25.4357 -25.4119 -16.9937 -16.8747 -16.7519 -16.7174 0.1857 0.4884 9.6190 9.7123 9.7893 9.9918 10.6158 10.6666 15.5943 15.7471 16.3568 16.5996 17.9527 18.1421 20.9196 21.3059 21.9678 22.3057 k = 0.2694 0.1555 0.4399 ( 883 PWs) bands (ev): -52.4670 -52.4670 -25.4334 -25.4101 -16.9878 -16.8726 -16.7455 -16.7129 0.1684 0.4636 9.5687 9.6942 9.8125 9.9715 10.5845 10.6328 15.7300 15.8849 16.3223 16.5622 17.9271 18.1249 20.9487 21.3124 22.0280 22.3584 k = 0.2641 0.1525 0.4312 ( 885 PWs) bands (ev): -52.4674 -52.4674 -25.4312 -25.4086 -16.9818 -16.8705 -16.7391 -16.7083 0.1503 0.4377 9.5162 9.6590 9.8379 9.9683 10.5538 10.5995 15.8650 16.0164 16.2987 16.5305 17.8968 18.1017 20.9795 21.3193 22.0871 22.4083 k = 0.2588 0.1494 0.4226 ( 885 PWs) bands (ev): -52.4679 -52.4679 -25.4289 -25.4069 -16.9754 -16.8679 -16.7327 -16.7037 0.1315 0.4107 9.4643 9.6130 9.8631 9.9760 10.5235 10.5666 15.9956 16.1175 16.3095 16.5076 17.8625 18.0733 21.0115 21.3252 22.1451 22.4523 k = 0.2535 0.1464 0.4140 ( 885 PWs) bands (ev): -52.4683 -52.4683 -25.4265 -25.4051 -16.9685 -16.8650 -16.7264 -16.6991 0.1120 0.3825 9.4140 9.5619 9.8871 9.9889 10.4939 10.5341 16.1135 16.1472 16.3949 16.5012 17.8249 18.0402 21.0436 21.3282 22.2019 22.4154 k = 0.2482 0.1433 0.4054 ( 883 PWs) bands (ev): -52.4688 -52.4688 -25.4240 -25.4033 -16.9613 -16.8617 -16.7200 -16.6944 0.0916 0.3532 9.3658 9.5091 9.9096 10.0039 10.4649 10.5019 16.1360 16.2021 16.5235 16.5273 17.7848 18.0030 21.0744 21.3258 22.2565 22.3144 k = 0.2430 0.1403 0.3967 ( 883 PWs) bands (ev): -52.4692 -52.4692 -25.4214 -25.4014 -16.9536 -16.8581 -16.7137 -16.6897 0.0705 0.3229 9.3199 9.4565 9.9303 10.0187 10.4366 10.4702 16.1157 16.2458 16.6004 16.6623 17.7429 17.9624 21.1026 21.3152 22.2240 22.3132 k = 0.2377 0.1372 0.3881 ( 883 PWs) bands (ev): -52.4697 -52.4697 -25.4187 -25.3994 -16.9456 -16.8542 -16.7074 -16.6849 0.0486 0.2915 9.2765 9.4052 9.9492 10.0325 10.4092 10.4389 16.0945 16.2552 16.7092 16.8017 17.7002 17.9190 21.1262 21.2937 22.1533 22.2526 k = 0.2324 0.1342 0.3795 ( 883 PWs) bands (ev): -52.4703 -52.4703 -25.4159 -25.3974 -16.9373 -16.8498 -16.7012 -16.6802 0.0259 0.2592 9.2358 9.3559 9.9661 10.0444 10.3827 10.4079 16.0745 16.2494 16.8336 16.9377 17.6580 17.8734 21.1435 21.2595 22.1008 22.1691 k = 0.2271 0.1311 0.3709 ( 883 PWs) bands (ev): -52.4708 -52.4708 -25.4131 -25.3954 -16.9285 -16.8451 -16.6951 -16.6755 0.0024 0.2259 9.1980 9.3090 9.9810 10.0541 10.3572 10.3774 16.0566 16.2384 16.9621 17.0666 17.6183 17.8263 21.1526 21.2131 22.0667 22.0992 k = 0.2218 0.1281 0.3622 ( 883 PWs) bands (ev): -52.4713 -52.4713 -25.4102 -25.3932 -16.9194 -16.8400 -16.6890 -16.6708 -0.0218 0.1917 9.1630 9.2647 9.9937 10.0610 10.3330 10.3472 16.0412 16.2263 17.0894 17.1829 17.5851 17.7784 21.1524 21.1570 22.0452 22.0491 k = 0.2165 0.1250 0.3536 ( 881 PWs) bands (ev): -52.4719 -52.4719 -25.4072 -25.3910 -16.9100 -16.8345 -16.6830 -16.6661 -0.0468 0.1567 9.1311 9.2235 10.0044 10.0649 10.3102 10.3175 16.0285 16.2151 17.2121 17.2758 17.5678 17.7301 21.0951 21.1431 22.0081 22.0447 k = 0.2113 0.1220 0.3450 ( 881 PWs) bands (ev): -52.4724 -52.4724 -25.4042 -25.3887 -16.9002 -16.8287 -16.6772 -16.6615 -0.0725 0.1209 9.1022 9.1852 10.0129 10.0655 10.2882 10.2890 16.0187 16.2056 17.3262 17.3273 17.5839 17.6821 21.0316 21.1266 21.9870 22.0499 k = 0.2060 0.1189 0.3364 ( 881 PWs) bands (ev): -52.4730 -52.4730 -25.4011 -25.3865 -16.8901 -16.8225 -16.6715 -16.6570 -0.0990 0.0843 9.0764 9.1503 10.0192 10.0626 10.2592 10.2693 16.0118 16.1983 17.3297 17.4327 17.6349 17.6362 20.9706 21.1065 21.9797 22.0618 k = 0.2007 0.1159 0.3277 ( 881 PWs) bands (ev): -52.4736 -52.4736 -25.3980 -25.3841 -16.8798 -16.8160 -16.6658 -16.6524 -0.1262 0.0471 9.0537 9.1186 10.0233 10.0563 10.2307 10.2513 16.0079 16.1935 17.3078 17.5239 17.5909 17.7013 20.9157 21.0867 21.9831 22.0779 k = 0.1954 0.1128 0.3191 ( 881 PWs) bands (ev): -52.4742 -52.4742 -25.3949 -25.3818 -16.8692 -16.8092 -16.6603 -16.6480 -0.1540 0.0093 9.0342 9.0902 10.0252 10.0467 10.2027 10.2347 16.0070 16.1914 17.2769 17.5378 17.6116 17.7614 20.8698 21.0714 21.9942 22.0965 k = 0.1901 0.1098 0.3105 ( 889 PWs) bands (ev): -52.4748 -52.4748 -25.3919 -25.3795 -16.8586 -16.8022 -16.6550 -16.6437 -0.1825 -0.0290 9.0178 9.0652 10.0248 10.0342 10.1752 10.2191 16.0091 16.1919 17.2432 17.4960 17.6734 17.8087 20.8353 21.0640 22.0104 22.1162 k = 0.1849 0.1067 0.3019 ( 889 PWs) bands (ev): -52.4754 -52.4754 -25.3887 -25.3771 -16.8476 -16.7948 -16.6498 -16.6393 -0.2116 -0.0678 9.0046 9.0437 10.0192 10.0221 10.1482 10.2041 16.0142 16.1953 17.2095 17.4544 17.7198 17.8398 20.8141 21.0668 22.0299 22.1362 k = 0.1796 0.1037 0.2932 ( 889 PWs) bands (ev): -52.4760 -52.4760 -25.3855 -25.3746 -16.8364 -16.7871 -16.6446 -16.6351 -0.2412 -0.1069 8.9945 9.0256 10.0024 10.0173 10.1219 10.1894 16.0223 16.2016 17.1770 17.4144 17.7481 17.8531 20.8070 21.0813 22.0510 22.1558 k = 0.1743 0.1006 0.2846 ( 887 PWs) bands (ev): -52.4766 -52.4766 -25.3822 -25.3721 -16.8249 -16.7790 -16.6396 -16.6309 -0.2713 -0.1463 8.9876 9.0110 9.9841 10.0101 10.0963 10.1744 16.0334 16.2107 17.1463 17.3764 17.7580 17.8484 20.8143 21.1076 22.0728 22.1745 k = 0.1690 0.0976 0.2760 ( 887 PWs) bands (ev): -52.4772 -52.4772 -25.3790 -25.3696 -16.8134 -16.7708 -16.6347 -16.6268 -0.3019 -0.1859 8.9837 8.9998 9.9647 10.0007 10.0716 10.1588 16.0475 16.2225 17.1177 17.3403 17.7499 17.8262 20.8355 21.1450 22.0944 22.1920 k = 0.1637 0.0945 0.2674 ( 887 PWs) bands (ev): -52.4778 -52.4778 -25.3758 -25.3670 -16.8018 -16.7624 -16.6300 -16.6228 -0.3328 -0.2257 8.9829 8.9919 9.9447 9.9889 10.0478 10.1424 16.0643 16.2372 17.0914 17.3061 17.7251 17.7878 20.8692 21.1923 22.1153 22.2080 k = 0.1585 0.0915 0.2587 ( 887 PWs) bands (ev): -52.4784 -52.4784 -25.3725 -25.3645 -16.7901 -16.7538 -16.6254 -16.6189 -0.3640 -0.2654 8.9850 8.9875 9.9243 9.9747 10.0252 10.1250 16.0840 16.2545 17.0675 17.2735 17.6854 17.7349 20.9137 21.2475 22.1353 22.2225 k = 0.1532 0.0884 0.2501 ( 899 PWs) bands (ev): -52.4791 -52.4791 -25.3697 -25.3623 -16.7786 -16.7453 -16.6211 -16.6153 -0.3955 -0.3051 8.9862 8.9900 9.9036 9.9581 10.0037 10.1065 16.1063 16.2743 17.0461 17.2421 17.6330 17.6693 20.9669 21.3086 22.1539 22.2351 k = 0.1479 0.0854 0.2415 ( 899 PWs) bands (ev): -52.4797 -52.4797 -25.3665 -25.3597 -16.7668 -16.7364 -16.6169 -16.6116 -0.4271 -0.3446 8.9882 8.9978 9.8830 9.9398 9.9832 10.0871 16.1314 16.2967 17.0270 17.2112 17.5709 17.5932 21.0269 21.3738 22.1715 22.2462 k = 0.1426 0.0823 0.2329 ( 899 PWs) bands (ev): -52.4803 -52.4803 -25.3634 -25.3572 -16.7551 -16.7274 -16.6127 -16.6080 -0.4589 -0.3839 8.9933 9.0082 9.8625 9.9201 9.9632 10.0667 16.1589 16.3216 17.0101 17.1794 17.5022 17.5085 21.0916 21.4412 22.1878 22.2557 k = 0.1373 0.0793 0.2242 ( 895 PWs) bands (ev): -52.4809 -52.4809 -25.3602 -25.3546 -16.7433 -16.7182 -16.6087 -16.6045 -0.4906 -0.4228 9.0015 9.0213 9.8422 9.8997 9.9434 10.0454 16.1889 16.3487 16.9952 17.1445 17.4171 17.4309 21.1594 21.5091 22.2029 22.2636 k = 0.1320 0.0762 0.2156 ( 899 PWs) bands (ev): -52.4815 -52.4815 -25.3572 -25.3522 -16.7317 -16.7092 -16.6049 -16.6012 -0.5222 -0.4612 9.0124 9.0368 9.8221 9.8790 9.9235 10.0232 16.2210 16.3779 16.9814 17.1025 17.3212 17.3624 21.2285 21.5760 22.2167 22.2698 k = 0.1268 0.0732 0.2070 ( 903 PWs) bands (ev): -52.4821 -52.4821 -25.3543 -25.3498 -16.7204 -16.7001 -16.6012 -16.5980 -0.5537 -0.4991 9.0262 9.0545 9.8025 9.8583 9.9032 10.0003 16.2553 16.4092 16.9673 17.0485 17.2232 17.3030 21.2978 21.6409 22.2293 22.2744 k = 0.1215 0.0701 0.1984 ( 903 PWs) bands (ev): -52.4827 -52.4827 -25.3514 -25.3474 -16.7091 -16.6910 -16.5977 -16.5948 -0.5849 -0.5363 9.0425 9.0744 9.7833 9.8378 9.8827 9.9768 16.2915 16.4422 16.9490 16.9795 17.1287 17.2570 21.3665 21.7031 22.2410 22.2776 k = 0.1162 0.0671 0.1897 ( 903 PWs) bands (ev): -52.4832 -52.4832 -25.3486 -25.3450 -16.6979 -16.6819 -16.5943 -16.5918 -0.6157 -0.5727 9.0612 9.0962 9.7646 9.8177 9.8619 9.9528 16.3294 16.4768 16.8971 16.9132 17.0516 17.2238 21.4337 21.7619 22.2516 22.2793 k = 0.1109 0.0640 0.1811 ( 907 PWs) bands (ev): -52.4838 -52.4838 -25.3459 -25.3428 -16.6871 -16.6730 -16.5912 -16.5890 -0.6461 -0.6084 9.0821 9.1198 9.7465 9.7981 9.8408 9.9286 16.3687 16.5126 16.8055 16.8421 17.0106 17.2001 21.4989 21.8169 22.2613 22.2797 k = 0.1056 0.0610 0.1725 ( 907 PWs) bands (ev): -52.4843 -52.4843 -25.3432 -25.3405 -16.6764 -16.6641 -16.5881 -16.5862 -0.6759 -0.6430 9.1051 9.1450 9.7289 9.7791 9.8197 9.9043 16.4090 16.5491 16.7090 16.7475 16.9950 17.1827 21.5617 21.8679 22.2702 22.2788 k = 0.1004 0.0579 0.1639 ( 903 PWs) bands (ev): -52.4848 -52.4848 -25.3405 -25.3382 -16.6660 -16.6553 -16.5851 -16.5835 -0.7051 -0.6766 9.1300 9.1715 9.7120 9.7607 9.7988 9.8800 16.4490 16.5782 16.6179 16.6463 16.9893 17.1696 21.6221 21.9149 22.2768 22.2785 k = 0.0951 0.0549 0.1552 ( 903 PWs) bands (ev): -52.4853 -52.4853 -25.3380 -25.3360 -16.6559 -16.6467 -16.5823 -16.5810 -0.7335 -0.7091 9.1564 9.1991 9.6957 9.7430 9.7779 9.8559 16.4789 16.5029 16.5543 16.6311 16.9880 17.1596 21.6796 21.9577 22.2737 22.2860 k = 0.0898 0.0518 0.1466 ( 903 PWs) bands (ev): -52.4858 -52.4858 -25.3357 -25.3339 -16.6462 -16.6384 -16.5798 -16.5786 -0.7611 -0.7403 9.1841 9.2276 9.6801 9.7260 9.7574 9.8320 16.4033 16.4213 16.5508 16.6693 16.9892 17.1517 21.7344 21.9966 22.2695 22.2929 k = 0.0845 0.0488 0.1380 ( 903 PWs) bands (ev): -52.4862 -52.4862 -25.3334 -25.3319 -16.6368 -16.6303 -16.5773 -16.5764 -0.7877 -0.7703 9.2129 9.2566 9.6652 9.7098 9.7375 9.8087 16.3041 16.3227 16.5904 16.7085 16.9922 17.1455 21.7863 22.0314 22.2644 22.2994 k = 0.0792 0.0457 0.1294 ( 903 PWs) bands (ev): -52.4867 -52.4867 -25.3312 -25.3300 -16.6279 -16.6224 -16.5750 -16.5743 -0.8133 -0.7988 9.2425 9.2860 9.6511 9.6942 9.7182 9.7860 16.2068 16.2232 16.6335 16.7477 16.9965 17.1406 21.8354 22.0624 22.2585 22.3054 k = 0.0739 0.0427 0.1207 ( 903 PWs) bands (ev): -52.4871 -52.4871 -25.3291 -25.3281 -16.6194 -16.6149 -16.5729 -16.5723 -0.8377 -0.8259 9.2725 9.3153 9.6378 9.6794 9.6998 9.7640 16.1124 16.1262 16.6772 16.7866 17.0018 17.1367 21.8816 22.0897 22.2519 22.3111 k = 0.0687 0.0396 0.1121 ( 903 PWs) bands (ev): -52.4875 -52.4875 -25.3272 -25.3264 -16.6114 -16.6078 -16.5709 -16.5704 -0.8609 -0.8514 9.3027 9.3443 9.6253 9.6651 9.6826 9.7430 16.0214 16.0328 16.7206 16.8246 17.0079 17.1334 21.9250 22.1134 22.2448 22.3162 k = 0.0634 0.0366 0.1035 ( 899 PWs) bands (ev): -52.4878 -52.4878 -25.3253 -25.3247 -16.6038 -16.6009 -16.5690 -16.5686 -0.8828 -0.8753 9.3327 9.3726 9.6137 9.6513 9.6669 9.7230 15.9345 15.9437 16.7634 16.8616 17.0145 17.1307 21.9656 22.1336 22.2372 22.3208 k = 0.0581 0.0335 0.0949 ( 899 PWs) bands (ev): -52.4881 -52.4881 -25.3236 -25.3231 -16.5968 -16.5946 -16.5673 -16.5670 -0.9034 -0.8975 9.3621 9.3999 9.6028 9.6376 9.6531 9.7042 15.8522 15.8595 16.8050 16.8969 17.0215 17.1284 22.0031 22.1506 22.2292 22.3244 k = 0.0528 0.0305 0.0862 ( 899 PWs) bands (ev): -52.4884 -52.4884 -25.3221 -25.3217 -16.5903 -16.5886 -16.5658 -16.5656 -0.9224 -0.9180 9.3907 9.4259 9.5929 9.6242 9.6413 9.6866 15.7751 15.7807 16.8451 16.9303 17.0288 17.1262 22.0376 22.1646 22.2212 22.3264 k = 0.0475 0.0274 0.0776 ( 895 PWs) bands (ev): -52.4887 -52.4887 -25.3206 -25.3203 -16.5843 -16.5831 -16.5644 -16.5642 -0.9399 -0.9367 9.4180 9.4501 9.5839 9.6113 9.6313 9.6705 15.7035 15.7077 16.8834 16.9616 17.0362 17.1241 22.0691 22.1761 22.2133 22.3259 k = 0.0423 0.0244 0.0690 ( 895 PWs) bands (ev): -52.4890 -52.4890 -25.3193 -25.3191 -16.5790 -16.5781 -16.5631 -16.5630 -0.9558 -0.9535 9.4437 9.4722 9.5757 9.5992 9.6231 9.6559 15.6381 15.6411 16.9194 16.9901 17.0436 17.1219 22.0973 22.1852 22.2058 22.3219 k = 0.0370 0.0213 0.0604 ( 891 PWs) bands (ev): -52.4892 -52.4892 -25.3181 -25.3180 -16.5741 -16.5735 -16.5620 -16.5619 -0.9700 -0.9684 9.4675 9.4918 9.5685 9.5882 9.6166 9.6429 15.5793 15.5813 16.9529 17.0157 17.0510 17.1196 22.1221 22.1924 22.1991 22.3135 k = 0.0317 0.0183 0.0517 ( 891 PWs) bands (ev): -52.4894 -52.4894 -25.3171 -25.3171 -16.5700 -16.5696 -16.5611 -16.5610 -0.9824 -0.9814 9.4888 9.5086 9.5623 9.5783 9.6117 9.6318 15.5273 15.5286 16.9834 17.0380 17.0582 17.1171 22.1434 22.1934 22.1978 22.3006 k = 0.0264 0.0152 0.0431 ( 893 PWs) bands (ev): -52.4895 -52.4895 -25.3164 -25.3163 -16.5665 -16.5663 -16.5603 -16.5603 -0.9930 -0.9925 9.5072 9.5221 9.5571 9.5698 9.6084 9.6225 15.4826 15.4834 17.0105 17.0566 17.0651 17.1143 22.1612 22.1893 22.2019 22.2842 k = 0.0211 0.0122 0.0345 ( 893 PWs) bands (ev): -52.4897 -52.4897 -25.3157 -25.3157 -16.5637 -16.5636 -16.5597 -16.5597 -1.0018 -1.0015 9.5223 9.5324 9.5529 9.5626 9.6068 9.6154 15.4456 15.4460 17.0342 17.0715 17.0717 17.1110 22.1757 22.1872 22.2049 22.2661 k = 0.0158 0.0091 0.0259 ( 893 PWs) bands (ev): -52.4898 -52.4898 -25.3152 -25.3152 -16.5614 -16.5614 -16.5592 -16.5592 -1.0087 -1.0086 9.5338 9.5396 9.5498 9.5568 9.6063 9.6105 15.4165 15.4167 17.0540 17.0779 17.0823 17.1073 22.1868 22.1875 22.2067 22.2480 k = 0.0106 0.0061 0.0172 ( 893 PWs) bands (ev): -52.4899 -52.4899 -25.3148 -25.3148 -16.5598 -16.5598 -16.5588 -16.5588 -1.0136 -1.0136 9.5416 9.5443 9.5478 9.5523 9.6064 9.6078 15.3955 15.3956 17.0700 17.0834 17.0890 17.1030 22.1902 22.1953 22.2074 22.2312 k = 0.0053 0.0030 0.0086 ( 893 PWs) bands (ev): -52.4899 -52.4899 -25.3146 -25.3146 -16.5589 -16.5589 -16.5586 -16.5586 -1.0166 -1.0166 9.5459 9.5468 9.5470 9.5492 9.6066 9.6068 15.3829 15.3829 17.0823 17.0881 17.0919 17.0979 22.1960 22.2011 22.2068 22.2167 k = 0.0000 0.0000 0.0000 ( 893 PWs) bands (ev): -52.4899 -52.4899 -25.3145 -25.3145 -16.5586 -16.5586 -16.5586 -16.5586 -1.0176 -1.0176 9.5475 9.5475 9.5475 9.5475 9.6066 9.6066 15.3786 15.3786 17.0912 17.0912 17.0912 17.0912 22.2048 22.2048 22.2048 22.2048 k = 0.0000 0.0000 0.0000 ( 893 PWs) bands (ev): -52.4899 -52.4899 -25.3145 -25.3145 -16.5586 -16.5586 -16.5586 -16.5586 -1.0176 -1.0176 9.5475 9.5475 9.5475 9.5475 9.6066 9.6066 15.3786 15.3786 17.0912 17.0912 17.0912 17.0912 22.2048 22.2048 22.2048 22.2048 k = 0.0086 0.0050 0.0035 ( 893 PWs) bands (ev): -52.4899 -52.4899 -25.3146 -25.3146 -16.5589 -16.5589 -16.5586 -16.5586 -1.0166 -1.0166 9.5464 9.5464 9.5469 9.5493 9.6067 9.6067 15.3829 15.3829 17.0822 17.0900 17.0900 17.0980 22.1958 22.2038 22.2038 22.2172 k = 0.0172 0.0100 0.0070 ( 893 PWs) bands (ev): -52.4899 -52.4899 -25.3148 -25.3148 -16.5599 -16.5599 -16.5588 -16.5588 -1.0136 -1.0136 9.5430 9.5430 9.5476 9.5524 9.6070 9.6070 15.3955 15.3955 17.0708 17.0862 17.0862 17.1023 22.1902 22.2005 22.2005 22.2329 k = 0.0259 0.0149 0.0106 ( 893 PWs) bands (ev): -52.4898 -52.4898 -25.3152 -25.3152 -16.5615 -16.5615 -16.5591 -16.5591 -1.0086 -1.0086 9.5370 9.5370 9.5496 9.5568 9.6082 9.6082 15.4165 15.4165 17.0573 17.0800 17.0800 17.1044 22.1879 22.1945 22.1945 22.2518 k = 0.0345 0.0199 0.0141 ( 893 PWs) bands (ev): -52.4897 -52.4897 -25.3157 -25.3157 -16.5638 -16.5638 -16.5595 -16.5595 -1.0017 -1.0017 9.5280 9.5280 9.5529 9.5625 9.6105 9.6105 15.4457 15.4457 17.0418 17.0714 17.0714 17.1041 22.1853 22.1853 22.1888 22.2736 k = 0.0431 0.0249 0.0176 ( 893 PWs) bands (ev): -52.4895 -52.4895 -25.3163 -25.3163 -16.5667 -16.5667 -16.5600 -16.5600 -0.9928 -0.9928 9.5159 9.5159 9.5574 9.5693 9.6142 9.6142 15.4829 15.4829 17.0243 17.0605 17.0605 17.1016 22.1725 22.1725 22.1927 22.2982 k = 0.0517 0.0299 0.0211 ( 890 PWs) bands (ev): -52.4893 -52.4893 -25.3171 -25.3171 -16.5701 -16.5701 -16.5606 -16.5606 -0.9820 -0.9820 9.5008 9.5008 9.5632 9.5774 9.6195 9.6195 15.5277 15.5277 17.0051 17.0476 17.0476 17.0971 22.1556 22.1556 22.1996 22.3252 k = 0.0603 0.0348 0.0246 ( 890 PWs) bands (ev): -52.4891 -52.4891 -25.3180 -25.3180 -16.5743 -16.5743 -16.5614 -16.5614 -0.9693 -0.9693 9.4830 9.4830 9.5701 9.5867 9.6263 9.6263 15.5798 15.5798 16.9845 17.0329 17.0329 17.0906 22.1344 22.1344 22.2090 22.3543 k = 0.0690 0.0398 0.0282 ( 896 PWs) bands (ev): -52.4890 -52.4890 -25.3192 -25.3192 -16.5793 -16.5793 -16.5623 -16.5623 -0.9548 -0.9548 9.4627 9.4627 9.5782 9.5971 9.6345 9.6345 15.6389 15.6389 16.9625 17.0163 17.0163 17.0823 22.1090 22.1090 22.2206 22.3851 k = 0.0776 0.0448 0.0317 ( 902 PWs) bands (ev): -52.4888 -52.4888 -25.3206 -25.3206 -16.5848 -16.5848 -16.5634 -16.5634 -0.9385 -0.9385 9.4404 9.4404 9.5873 9.6086 9.6438 9.6438 15.7046 15.7046 16.9395 16.9984 16.9984 17.0726 22.0796 22.0796 22.2342 22.4173 k = 0.0862 0.0498 0.0352 ( 902 PWs) bands (ev): -52.4885 -52.4885 -25.3219 -25.3219 -16.5907 -16.5907 -16.5645 -16.5645 -0.9205 -0.9205 9.4165 9.4165 9.5976 9.6211 9.6545 9.6545 15.7764 15.7764 16.9159 16.9793 16.9793 17.0616 22.0466 22.0466 22.2493 22.4504 k = 0.0948 0.0547 0.0387 ( 899 PWs) bands (ev): -52.4881 -52.4881 -25.3233 -25.3233 -16.5971 -16.5971 -16.5656 -16.5656 -0.9009 -0.9009 9.3913 9.3913 9.6090 9.6347 9.6663 9.6663 15.8538 15.8538 16.8917 16.9594 16.9594 17.0495 22.0104 22.0104 22.2656 22.4840 k = 0.1034 0.0597 0.0422 ( 899 PWs) bands (ev): -52.4878 -52.4878 -25.3249 -25.3249 -16.6041 -16.6041 -16.5668 -16.5668 -0.8797 -0.8797 9.3652 9.3652 9.6213 9.6492 9.6790 9.6790 15.9363 15.9363 16.8673 16.9388 16.9388 17.0367 21.9714 21.9714 22.2825 22.5176 k = 0.1121 0.0647 0.0458 ( 899 PWs) bands (ev): -52.4874 -52.4874 -25.3266 -25.3266 -16.6116 -16.6116 -16.5682 -16.5682 -0.8570 -0.8570 9.3385 9.3385 9.6346 9.6646 9.6928 9.6928 16.0234 16.0234 16.8430 16.9178 16.9178 17.0234 21.9301 21.9301 22.2996 22.5506 k = 0.1207 0.0697 0.0493 ( 905 PWs) bands (ev): -52.4871 -52.4871 -25.3286 -25.3286 -16.6197 -16.6197 -16.5698 -16.5698 -0.8329 -0.8329 9.3114 9.3114 9.6486 9.6807 9.7073 9.7073 16.1144 16.1144 16.8190 16.8967 16.8967 17.0097 21.8868 21.8868 22.3163 22.5825 k = 0.1293 0.0747 0.0528 ( 905 PWs) bands (ev): -52.4867 -52.4867 -25.3306 -25.3306 -16.6281 -16.6281 -16.5713 -16.5713 -0.8074 -0.8074 9.2845 9.2845 9.6635 9.6976 9.7228 9.7228 16.2088 16.2088 16.7956 16.8759 16.8759 16.9962 21.8419 21.8419 22.3323 22.6129 k = 0.1379 0.0796 0.0563 ( 905 PWs) bands (ev): -52.4863 -52.4863 -25.3326 -25.3326 -16.6370 -16.6370 -16.5729 -16.5729 -0.7808 -0.7808 9.2578 9.2578 9.6791 9.7152 9.7389 9.7389 16.3059 16.3059 16.7731 16.8556 16.8556 16.9830 21.7960 21.7960 22.3471 22.6413 k = 0.1466 0.0846 0.0598 ( 905 PWs) bands (ev): -52.4858 -52.4858 -25.3347 -25.3347 -16.6462 -16.6462 -16.5746 -16.5746 -0.7529 -0.7529 9.2319 9.2319 9.6954 9.7334 9.7558 9.7558 16.4050 16.4050 16.7517 16.8363 16.8363 16.9704 21.7493 21.7493 22.3601 22.6672 k = 0.1552 0.0896 0.0633 ( 905 PWs) bands (ev): -52.4854 -52.4854 -25.3369 -25.3369 -16.6558 -16.6558 -16.5764 -16.5764 -0.7241 -0.7241 9.2068 9.2068 9.7123 9.7521 9.7732 9.7732 16.5050 16.5050 16.7317 16.8185 16.8185 16.9586 21.7024 21.7024 22.3710 22.6875 k = 0.1638 0.0946 0.0669 ( 905 PWs) bands (ev): -52.4849 -52.4849 -25.3392 -25.3392 -16.6658 -16.6658 -16.5782 -16.5782 -0.6944 -0.6944 9.1829 9.1829 9.7297 9.7713 9.7911 9.7911 16.6043 16.6043 16.7133 16.8035 16.8035 16.9479 21.6556 21.6556 22.3792 22.6950 k = 0.1724 0.0995 0.0704 ( 905 PWs) bands (ev): -52.4844 -52.4844 -25.3416 -25.3416 -16.6760 -16.6760 -16.5801 -16.5801 -0.6638 -0.6638 9.1603 9.1603 9.7476 9.7908 9.8095 9.8095 16.6967 16.6967 16.6967 16.7968 16.7968 16.9385 21.6093 21.6093 22.3844 22.6985 k = 0.1810 0.1045 0.0739 ( 905 PWs) bands (ev): -52.4839 -52.4839 -25.3441 -25.3441 -16.6865 -16.6865 -16.5820 -16.5820 -0.6325 -0.6325 9.1394 9.1394 9.7658 9.8105 9.8283 9.8283 16.6821 16.7444 16.7444 16.8359 16.8359 16.9307 21.5639 21.5639 22.3861 22.6975 k = 0.1897 0.1095 0.0774 ( 905 PWs) bands (ev): -52.4833 -52.4833 -25.3466 -25.3466 -16.6972 -16.6972 -16.5840 -16.5840 -0.6006 -0.6006 9.1203 9.1203 9.7842 9.8304 9.8473 9.8473 16.6699 16.7431 16.7431 16.9242 16.9242 16.9247 21.5198 21.5198 22.3840 22.6916 k = 0.1983 0.1145 0.0809 ( 899 PWs) bands (ev): -52.4827 -52.4827 -25.3490 -25.3490 -16.7079 -16.7079 -16.5860 -16.5860 -0.5682 -0.5682 9.1032 9.1032 9.8029 9.8504 9.8665 9.8665 16.6601 16.7352 16.7352 16.9207 17.0189 17.0189 21.4774 21.4774 22.3778 22.6807 k = 0.2069 0.1195 0.0845 ( 899 PWs) bands (ev): -52.4822 -52.4822 -25.3516 -25.3516 -16.7190 -16.7190 -16.5881 -16.5881 -0.5354 -0.5354 9.0882 9.0882 9.8217 9.8704 9.8859 9.8859 16.6529 16.7278 16.7278 16.9189 17.1123 17.1123 21.4367 21.4367 22.3673 22.6645 k = 0.2155 0.1244 0.0880 ( 896 PWs) bands (ev): -52.4816 -52.4816 -25.3542 -25.3542 -16.7301 -16.7301 -16.5902 -16.5902 -0.5024 -0.5024 9.0754 9.0754 9.8406 9.8904 9.9053 9.9053 16.6485 16.7220 16.7220 16.9194 17.2023 17.2023 21.3984 21.3984 22.3520 22.6427 k = 0.2241 0.1294 0.0915 ( 896 PWs) bands (ev): -52.4810 -52.4810 -25.3569 -25.3569 -16.7414 -16.7414 -16.5923 -16.5923 -0.4693 -0.4693 9.0650 9.0650 9.8595 9.9101 9.9246 9.9246 16.6471 16.7185 16.7185 16.9225 17.2876 17.2876 21.3621 21.3621 22.3321 22.6154 k = 0.2328 0.1344 0.0950 ( 896 PWs) bands (ev): -52.4805 -52.4805 -25.3596 -25.3596 -16.7528 -16.7528 -16.5944 -16.5944 -0.4361 -0.4361 9.0572 9.0572 9.8782 9.9296 9.9439 9.9439 16.6487 16.7174 16.7174 16.9281 17.3672 17.3672 21.3282 21.3282 22.3072 22.5824 k = 0.2414 0.1394 0.0985 ( 896 PWs) bands (ev): -52.4799 -52.4799 -25.3623 -25.3623 -16.7642 -16.7642 -16.5966 -16.5966 -0.4030 -0.4030 9.0518 9.0518 9.8968 9.9488 9.9630 9.9630 16.6535 16.7190 16.7190 16.9366 17.4403 17.4403 21.2967 21.2967 22.2773 22.5439 k = 0.2500 0.1443 0.1021 ( 896 PWs) bands (ev): -52.4793 -52.4793 -25.3651 -25.3651 -16.7756 -16.7756 -16.5987 -16.5987 -0.3701 -0.3701 9.0491 9.0491 9.9151 9.9676 9.9818 9.9818 16.6616 16.7232 16.7232 16.9479 17.5060 17.5060 21.2674 21.2674 22.2424 22.4998 k = 0.2586 0.1493 0.1056 ( 896 PWs) bands (ev): -52.4787 -52.4787 -25.3678 -25.3678 -16.7870 -16.7870 -16.6009 -16.6009 -0.3375 -0.3375 9.0490 9.0490 9.9331 9.9859 10.0004 10.0004 16.6730 16.7303 16.7303 16.9621 17.5635 17.5635 21.2399 21.2399 22.2025 22.4505 k = 0.2672 0.1543 0.1091 ( 890 PWs) bands (ev): -52.4781 -52.4781 -25.3704 -25.3704 -16.7981 -16.7981 -16.6029 -16.6029 -0.3052 -0.3052 9.0515 9.0515 9.9508 10.0038 10.0186 10.0186 16.6880 16.7403 16.7403 16.9793 17.6125 17.6125 21.2139 21.2139 22.1578 22.3962 k = 0.2759 0.1593 0.1126 ( 890 PWs) bands (ev): -52.4776 -52.4776 -25.3731 -25.3731 -16.8093 -16.8093 -16.6050 -16.6050 -0.2735 -0.2735 9.0567 9.0567 9.9681 10.0210 10.0364 10.0364 16.7063 16.7531 16.7531 16.9995 17.6522 17.6522 21.1885 21.1885 22.1083 22.3370 k = 0.2845 0.1642 0.1161 ( 887 PWs) bands (ev): -52.4770 -52.4770 -25.3757 -25.3757 -16.8203 -16.8203 -16.6071 -16.6071 -0.2424 -0.2424 9.0644 9.0644 9.9849 10.0376 10.0537 10.0537 16.7281 16.7688 16.7688 17.0228 17.6827 17.6827 21.1632 21.1632 22.0543 22.2735 k = 0.2931 0.1692 0.1197 ( 890 PWs) bands (ev): -52.4764 -52.4764 -25.3785 -25.3785 -16.8313 -16.8313 -16.6092 -16.6092 -0.2119 -0.2119 9.0744 9.0744 10.0012 10.0535 10.0705 10.0705 16.7534 16.7871 16.7871 17.0490 17.7038 17.7038 21.1371 21.1371 21.9959 22.2058 k = 0.3017 0.1742 0.1232 ( 890 PWs) bands (ev): -52.4759 -52.4759 -25.3811 -25.3811 -16.8420 -16.8420 -16.6112 -16.6112 -0.1823 -0.1823 9.0871 9.0871 10.0170 10.0686 10.0867 10.0867 16.7821 16.8082 16.8082 17.0782 17.7156 17.7156 21.1095 21.1095 21.9334 22.1345 k = 0.3103 0.1792 0.1267 ( 890 PWs) bands (ev): -52.4753 -52.4753 -25.3836 -25.3836 -16.8524 -16.8524 -16.6132 -16.6132 -0.1534 -0.1534 9.1020 9.1020 10.0322 10.0830 10.1024 10.1024 16.8142 16.8317 16.8317 17.1102 17.7186 17.7186 21.0798 21.0798 21.8672 22.0598 k = 0.3190 0.1842 0.1302 ( 890 PWs) bands (ev): -52.4748 -52.4748 -25.3862 -25.3862 -16.8626 -16.8626 -16.6152 -16.6152 -0.1255 -0.1255 9.1191 9.1191 10.0468 10.0967 10.1174 10.1174 16.8497 16.8575 16.8575 17.1451 17.7134 17.7134 21.0475 21.0475 21.7976 21.9822 k = 0.3276 0.1891 0.1337 ( 890 PWs) bands (ev): -52.4743 -52.4743 -25.3886 -25.3886 -16.8725 -16.8725 -16.6171 -16.6171 -0.0985 -0.0985 9.1381 9.1381 10.0607 10.1095 10.1318 10.1318 16.8852 16.8852 16.8883 17.1825 17.7008 17.7008 21.0125 21.0125 21.7249 21.9021 k = 0.3362 0.1941 0.1373 ( 896 PWs) bands (ev): -52.4738 -52.4738 -25.3911 -25.3911 -16.8823 -16.8823 -16.6190 -16.6190 -0.0726 -0.0726 9.1590 9.1590 10.0740 10.1215 10.1456 10.1456 16.9144 16.9144 16.9300 17.2224 17.6816 17.6816 20.9749 20.9749 21.6498 21.8198 k = 0.3448 0.1991 0.1408 ( 884 PWs) bands (ev): -52.4733 -52.4733 -25.3932 -25.3932 -16.8914 -16.8914 -16.6206 -16.6206 -0.0478 -0.0478 9.1815 9.1815 10.0867 10.1328 10.1588 10.1588 16.9447 16.9447 16.9747 17.2646 17.6575 17.6575 20.9349 20.9349 21.5728 21.7360 k = 0.3534 0.2041 0.1443 ( 884 PWs) bands (ev): -52.4728 -52.4728 -25.3954 -25.3954 -16.9003 -16.9003 -16.6223 -16.6223 -0.0241 -0.0241 9.2054 9.2054 10.0987 10.1431 10.1712 10.1712 16.9749 16.9749 17.0221 17.3087 17.6297 17.6297 20.8931 20.8931 21.4940 21.6508 k = 0.3621 0.2090 0.1478 ( 884 PWs) bands (ev): -52.4724 -52.4724 -25.3975 -25.3975 -16.9088 -16.9088 -16.6240 -16.6240 -0.0017 -0.0017 9.2303 9.2303 10.1100 10.1527 10.1829 10.1829 17.0042 17.0042 17.0721 17.3545 17.6001 17.6001 20.8500 20.8500 21.4141 21.5648 k = 0.3707 0.2140 0.1513 ( 884 PWs) bands (ev): -52.4719 -52.4719 -25.3996 -25.3996 -16.9170 -16.9170 -16.6256 -16.6256 0.0196 0.0196 9.2561 9.2561 10.1207 10.1614 10.1940 10.1940 17.0309 17.0309 17.1242 17.4016 17.5709 17.5709 20.8063 20.8063 21.3339 21.4785 k = 0.3793 0.2190 0.1549 ( 878 PWs) bands (ev): -52.4715 -52.4715 -25.4014 -25.4014 -16.9245 -16.9245 -16.6270 -16.6270 0.0396 0.0396 9.2823 9.2823 10.1307 10.1694 10.2044 10.2044 17.0530 17.0530 17.1784 17.4497 17.5450 17.5450 20.7626 20.7626 21.2539 21.3928 k = 0.3879 0.2240 0.1584 ( 881 PWs) bands (ev): -52.4711 -52.4711 -25.4033 -25.4033 -16.9318 -16.9318 -16.6285 -16.6285 0.0582 0.0582 9.3087 9.3087 10.1401 10.1765 10.2141 10.2141 17.0679 17.0679 17.2340 17.4981 17.5253 17.5253 20.7195 20.7195 21.1747 21.3080 k = 0.3966 0.2289 0.1619 ( 887 PWs) bands (ev): -52.4708 -52.4708 -25.4052 -25.4052 -16.9388 -16.9388 -16.6299 -16.6299 0.0756 0.0756 9.3350 9.3350 10.1487 10.1829 10.2231 10.2231 17.0731 17.0731 17.2908 17.5147 17.5147 17.5463 20.6776 20.6776 21.0973 21.2249 k = 0.4052 0.2339 0.1654 ( 887 PWs) bands (ev): -52.4705 -52.4705 -25.4068 -25.4068 -16.9451 -16.9451 -16.6312 -16.6312 0.0916 0.0916 9.3608 9.3608 10.1568 10.1885 10.2315 10.2315 17.0678 17.0678 17.3484 17.5151 17.5151 17.5938 20.6373 20.6373 21.0225 21.1445 k = 0.4138 0.2389 0.1689 ( 881 PWs) bands (ev): -52.4701 -52.4701 -25.4081 -25.4081 -16.9508 -16.9508 -16.6322 -16.6322 0.1063 0.1063 9.3860 9.3860 10.1643 10.1934 10.2392 10.2392 17.0526 17.0526 17.4063 17.5259 17.5259 17.6398 20.5989 20.5989 20.9511 21.0674 k = 0.4224 0.2439 0.1724 ( 878 PWs) bands (ev): -52.4698 -52.4698 -25.4094 -25.4094 -16.9561 -16.9561 -16.6331 -16.6331 0.1196 0.1196 9.4099 9.4099 10.1711 10.1976 10.2462 10.2462 17.0299 17.0299 17.4638 17.5449 17.5449 17.6837 20.5627 20.5627 20.8840 20.9945 k = 0.4310 0.2489 0.1760 ( 878 PWs) bands (ev): -52.4695 -52.4695 -25.4106 -25.4106 -16.9609 -16.9609 -16.6341 -16.6341 0.1315 0.1315 9.4324 9.4324 10.1774 10.2011 10.2526 10.2526 17.0028 17.0028 17.5202 17.5693 17.5693 17.7244 20.5290 20.5290 20.8222 20.9266 k = 0.4397 0.2538 0.1795 ( 878 PWs) bands (ev): -52.4693 -52.4693 -25.4117 -25.4117 -16.9652 -16.9652 -16.6349 -16.6349 0.1420 0.1420 9.4530 9.4530 10.1830 10.2040 10.2582 10.2582 16.9740 16.9740 17.5749 17.5964 17.5964 17.7611 20.4979 20.4979 20.7668 20.8647 k = 0.4483 0.2588 0.1830 ( 878 PWs) bands (ev): -52.4691 -52.4691 -25.4126 -25.4126 -16.9689 -16.9689 -16.6357 -16.6357 0.1511 0.1511 9.4716 9.4716 10.1881 10.2062 10.2631 10.2631 16.9456 16.9456 17.6240 17.6240 17.6271 17.7930 20.4697 20.4697 20.7187 20.8095 k = 0.4569 0.2638 0.1865 ( 884 PWs) bands (ev): -52.4690 -52.4690 -25.4136 -25.4136 -16.9721 -16.9721 -16.6365 -16.6365 0.1589 0.1589 9.4878 9.4878 10.1926 10.2077 10.2673 10.2673 16.9193 16.9193 17.6502 17.6502 17.6760 17.8192 20.4447 20.4447 20.6789 20.7618 k = 0.4655 0.2688 0.1900 ( 880 PWs) bands (ev): -52.4688 -52.4688 -25.4142 -25.4142 -16.9745 -16.9745 -16.6370 -16.6370 0.1652 0.1652 9.5015 9.5015 10.1966 10.2087 10.2708 10.2708 16.8963 16.8963 17.6737 17.6737 17.7207 17.8387 20.4232 20.4232 20.6485 20.7223 k = 0.4741 0.2737 0.1936 ( 880 PWs) bands (ev): -52.4687 -52.4687 -25.4147 -25.4147 -16.9766 -16.9766 -16.6374 -16.6374 0.1702 0.1702 9.5124 9.5124 10.2000 10.2092 10.2735 10.2735 16.8776 16.8776 17.6932 17.6932 17.7603 17.8510 20.4057 20.4057 20.6281 20.6914 k = 0.4828 0.2787 0.1971 ( 886 PWs) bands (ev): -52.4687 -52.4687 -25.4152 -25.4152 -16.9782 -16.9782 -16.6377 -16.6377 0.1736 0.1736 9.5201 9.5201 10.2028 10.2090 10.2755 10.2755 16.8637 16.8637 17.7078 17.7078 17.7939 17.8555 20.3926 20.3926 20.6183 20.6693 k = 0.4914 0.2837 0.2006 ( 886 PWs) bands (ev): -52.4686 -52.4686 -25.4154 -25.4154 -16.9791 -16.9791 -16.6379 -16.6379 0.1758 0.1758 9.5249 9.5249 10.2052 10.2083 10.2766 10.2766 16.8553 16.8553 17.7168 17.7168 17.8208 17.8520 20.3846 20.3846 20.6195 20.6546 k = 0.5000 0.2887 0.2041 ( 886 PWs) bands (ev): -52.4686 -52.4686 -25.4155 -25.4155 -16.9794 -16.9794 -16.6379 -16.6379 0.1765 0.1765 9.5264 9.5264 10.2070 10.2070 10.2770 10.2770 16.8524 16.8524 17.7199 17.7199 17.8403 17.8403 20.3818 20.3818 20.6317 20.6317 k = 0.5000 0.2887 0.2041 ( 886 PWs) bands (ev): -52.4686 -52.4686 -25.4155 -25.4155 -16.9794 -16.9794 -16.6379 -16.6379 0.1765 0.1765 9.5264 9.5264 10.2070 10.2070 10.2770 10.2770 16.8524 16.8524 17.7199 17.7199 17.8403 17.8403 20.3818 20.3818 20.6317 20.6317 k = 0.5030 0.2799 0.2091 ( 886 PWs) bands (ev): -52.4686 -52.4686 -25.4161 -25.4149 -16.9815 -16.9772 -16.6381 -16.6381 0.1695 0.1845 9.5236 9.5303 10.2068 10.2070 10.2738 10.2809 16.8452 16.8529 17.7121 17.7227 17.8388 17.8389 20.3792 20.3906 20.6312 20.6319 k = 0.5061 0.2711 0.2141 ( 886 PWs) bands (ev): -52.4686 -52.4686 -25.4168 -25.4144 -16.9836 -16.9750 -16.6388 -16.6388 0.1636 0.1935 9.5218 9.5352 10.2054 10.2071 10.2719 10.2849 16.8312 16.8467 17.6996 17.7206 17.8341 17.8349 20.3834 20.4048 20.6329 20.6361 k = 0.5091 0.2623 0.2191 ( 884 PWs) bands (ev): -52.4685 -52.4685 -25.4176 -25.4140 -16.9856 -16.9727 -16.6398 -16.6397 0.1588 0.2036 9.5210 9.5409 10.2020 10.2074 10.2726 10.2892 16.8100 16.8337 17.6824 17.7140 17.8264 17.8291 20.3946 20.4235 20.6397 20.6457 k = 0.5122 0.2535 0.2240 ( 882 PWs) bands (ev): -52.4685 -52.4685 -25.4183 -25.4136 -16.9875 -16.9704 -16.6412 -16.6411 0.1551 0.2146 9.5213 9.5475 10.1957 10.2079 10.2765 10.2940 16.7815 16.8137 17.6612 17.7033 17.8161 17.8217 20.4129 20.4461 20.6523 20.6605 k = 0.5152 0.2447 0.2290 ( 882 PWs) bands (ev): -52.4684 -52.4684 -25.4192 -25.4133 -16.9895 -16.9680 -16.6432 -16.6430 0.1525 0.2266 9.5227 9.5547 10.1864 10.2081 10.2839 10.2996 16.7452 16.7864 17.6366 17.6898 17.8039 17.8133 20.4378 20.4716 20.6711 20.6798 k = 0.5183 0.2359 0.2340 ( 881 PWs) bands (ev): -52.4683 -52.4683 -25.4201 -25.4130 -16.9914 -16.9656 -16.6455 -16.6452 0.1509 0.2395 9.5250 9.5624 10.1745 10.2078 10.2944 10.3066 16.7011 16.7515 17.6093 17.6743 17.7903 17.8041 20.4684 20.4994 20.6967 20.7034 k = 0.5213 0.2271 0.2390 ( 883 PWs) bands (ev): -52.4682 -52.4682 -25.4212 -25.4129 -16.9933 -16.9632 -16.6484 -16.6478 0.1503 0.2533 9.5283 9.5705 10.1606 10.2068 10.3077 10.3154 16.6492 16.7086 17.5804 17.6581 17.7760 17.7940 20.5036 20.5284 20.7293 20.7312 k = 0.5244 0.2183 0.2440 ( 883 PWs) bands (ev): -52.4681 -52.4681 -25.4222 -25.4128 -16.9951 -16.9608 -16.6515 -16.6507 0.1508 0.2679 9.5323 9.5786 10.1452 10.2052 10.3236 10.3264 16.5896 16.6576 17.5508 17.6420 17.7615 17.7834 20.5419 20.5579 20.7629 20.7692 k = 0.5274 0.2095 0.2489 ( 883 PWs) bands (ev): -52.4680 -52.4680 -25.4233 -25.4128 -16.9969 -16.9583 -16.6551 -16.6539 0.1522 0.2833 9.5370 9.5866 10.1288 10.2031 10.3396 10.3416 16.5227 16.5986 17.5214 17.6265 17.7472 17.7725 20.5818 20.5875 20.7987 20.8158 k = 0.5305 0.2007 0.2539 ( 881 PWs) bands (ev): -52.4678 -52.4678 -25.4244 -25.4128 -16.9986 -16.9557 -16.6590 -16.6574 0.1546 0.2993 9.5421 9.5939 10.1120 10.2011 10.3552 10.3618 16.4490 16.5319 17.4928 17.6119 17.7336 17.7614 20.6170 20.6218 20.8381 20.8684 k = 0.5335 0.1919 0.2589 ( 881 PWs) bands (ev): -52.4677 -52.4677 -25.4256 -25.4129 -17.0004 -16.9532 -16.6633 -16.6612 0.1579 0.3160 9.5474 9.6003 10.0951 10.1996 10.3729 10.3839 16.3693 16.4578 17.4652 17.5982 17.7209 17.7507 20.6463 20.6607 20.8809 20.9257 k = 0.5366 0.1831 0.2639 ( 883 PWs) bands (ev): -52.4675 -52.4675 -25.4268 -25.4132 -17.0021 -16.9507 -16.6680 -16.6653 0.1620 0.3332 9.5525 9.6052 10.0787 10.1993 10.3926 10.4078 16.2841 16.3772 17.4389 17.5853 17.7096 17.7407 20.6753 20.6977 20.9263 20.9862 k = 0.5396 0.1743 0.2688 ( 885 PWs) bands (ev): -52.4674 -52.4674 -25.4281 -25.4135 -17.0038 -16.9481 -16.6731 -16.6696 0.1670 0.3509 9.5569 9.6083 10.0634 10.2008 10.4144 10.4334 16.1944 16.2908 17.4138 17.5728 17.6998 17.7318 20.7042 20.7323 20.9732 21.0482 k = 0.5427 0.1655 0.2738 ( 882 PWs) bands (ev): -52.4672 -52.4672 -25.4293 -25.4137 -17.0054 -16.9454 -16.6784 -16.6740 0.1728 0.3690 9.5601 9.6089 10.0502 10.2050 10.4380 10.4608 16.1008 16.1995 17.3900 17.5605 17.6918 17.7245 20.7328 20.7644 21.0208 21.1101 k = 0.5457 0.1567 0.2788 ( 883 PWs) bands (ev): -52.4670 -52.4670 -25.4307 -25.4141 -17.0070 -16.9428 -16.6840 -16.6787 0.1793 0.3875 9.5614 9.6068 10.0397 10.2124 10.4632 10.4896 16.0040 16.1042 17.3672 17.5482 17.6856 17.7189 20.7609 20.7939 21.0679 21.1704 k = 0.5488 0.1479 0.2838 ( 883 PWs) bands (ev): -52.4668 -52.4668 -25.4320 -25.4145 -17.0087 -16.9401 -16.6898 -16.6834 0.1864 0.4061 9.5603 9.6015 10.0328 10.2234 10.4900 10.5199 15.9048 16.0056 17.3454 17.5356 17.6812 17.7152 20.7884 20.8205 21.1138 21.2277 k = 0.5518 0.1391 0.2888 ( 883 PWs) bands (ev): -52.4666 -52.4666 -25.4333 -25.4150 -17.0102 -16.9375 -16.6960 -16.6884 0.1942 0.4250 9.5561 9.5930 10.0301 10.2385 10.5182 10.5515 15.8037 15.9045 17.3245 17.5228 17.6786 17.7135 20.8151 20.8445 21.1577 21.2810 k = 0.5549 0.1303 0.2937 ( 881 PWs) bands (ev): -52.4663 -52.4663 -25.4346 -25.4155 -17.0117 -16.9348 -16.7022 -16.6933 0.2025 0.4439 9.5484 9.5812 10.0323 10.2578 10.5477 10.5844 15.7014 15.8017 17.3047 17.5100 17.6778 17.7134 20.8408 20.8655 21.1992 21.3297 k = 0.5579 0.1215 0.2987 ( 879 PWs) bands (ev): -52.4661 -52.4661 -25.4359 -25.4160 -17.0132 -16.9321 -16.7087 -16.6983 0.2112 0.4628 9.5369 9.5663 10.0396 10.2812 10.5784 10.6183 15.5983 15.6978 17.2860 17.4974 17.6785 17.7149 20.8652 20.8835 21.2379 21.3731 k = 0.5610 0.1127 0.3037 ( 879 PWs) bands (ev): -52.4659 -52.4659 -25.4372 -25.4166 -17.0148 -16.9295 -16.7154 -16.7034 0.2204 0.4816 9.5219 9.5484 10.0521 10.3087 10.6101 10.6532 15.4950 15.5934 17.2684 17.4851 17.6806 17.7175 20.8880 20.8983 21.2735 21.4109 k = 0.5640 0.1039 0.3087 ( 881 PWs) bands (ev): -52.4657 -52.4657 -25.4386 -25.4173 -17.0163 -16.9269 -16.7222 -16.7086 0.2300 0.5002 9.5034 9.5278 10.0696 10.3401 10.6426 10.6890 15.3919 15.4890 17.2522 17.4736 17.6837 17.7210 20.9090 20.9098 21.3057 21.4430 k = 0.5671 0.0951 0.3137 ( 879 PWs) bands (ev): -52.4654 -52.4654 -25.4399 -25.4179 -17.0177 -16.9243 -16.7291 -16.7136 0.2398 0.5186 9.4821 9.5050 10.0918 10.3752 10.6760 10.7256 15.2895 15.3852 17.2375 17.4630 17.6878 17.7252 20.9179 20.9281 21.3345 21.4693 k = 0.5701 0.0863 0.3186 ( 877 PWs) bands (ev): -52.4652 -52.4652 -25.4412 -25.4186 -17.0192 -16.9217 -16.7360 -16.7186 0.2499 0.5366 9.4582 9.4801 10.1181 10.4135 10.7101 10.7628 15.1882 15.2824 17.2244 17.4535 17.6925 17.7296 20.9225 20.9449 21.3597 21.4898 k = 0.5732 0.0774 0.3236 ( 883 PWs) bands (ev): -52.4650 -52.4650 -25.4426 -25.4195 -17.0208 -16.9194 -16.7429 -16.7235 0.2601 0.5541 9.4321 9.4535 10.1482 10.4549 10.7445 10.8004 15.0883 15.1810 17.2131 17.4455 17.6976 17.7339 20.9235 20.9592 21.3812 21.5047 k = 0.5762 0.0686 0.3286 ( 881 PWs) bands (ev): -52.4648 -52.4648 -25.4438 -25.4202 -17.0222 -16.9170 -16.7497 -16.7283 0.2704 0.5712 9.4045 9.4256 10.1816 10.4990 10.7794 10.8384 14.9903 15.0816 17.2038 17.4391 17.7028 17.7380 20.9212 20.9708 21.3991 21.5144 k = 0.5793 0.0598 0.3336 ( 879 PWs) bands (ev): -52.4645 -52.4645 -25.4450 -25.4209 -17.0237 -16.9147 -16.7565 -16.7329 0.2808 0.5877 9.3757 9.3965 10.2179 10.5455 10.8146 10.8767 14.8946 14.9844 17.1967 17.4345 17.7079 17.7416 20.9154 20.9797 21.4132 21.5189 k = 0.5823 0.0510 0.3385 ( 877 PWs) bands (ev): -52.4643 -52.4643 -25.4462 -25.4216 -17.0251 -16.9126 -16.7630 -16.7373 0.2911 0.6035 9.3458 9.3666 10.2567 10.5941 10.8498 10.9150 14.8016 14.8900 17.1918 17.4318 17.7127 17.7445 20.9064 20.9856 21.4236 21.5187 k = 0.5854 0.0422 0.3435 ( 879 PWs) bands (ev): -52.4641 -52.4641 -25.4474 -25.4225 -17.0266 -16.9107 -16.7695 -16.7416 0.3014 0.6186 9.3152 9.3358 10.2975 10.6443 10.8850 10.9532 14.7115 14.7986 17.1894 17.4312 17.7168 17.7463 20.8942 20.9882 21.4302 21.5141 k = 0.5884 0.0334 0.3485 ( 882 PWs) bands (ev): -52.4639 -52.4639 -25.4486 -25.4234 -17.0280 -16.9091 -16.7756 -16.7457 0.3115 0.6329 9.2841 9.3045 10.3400 10.6958 10.9200 10.9912 14.6250 14.7107 17.1895 17.4326 17.7200 17.7470 20.8793 20.9876 21.4331 21.5055 k = 0.5915 0.0246 0.3535 ( 882 PWs) bands (ev): -52.4637 -52.4637 -25.4496 -25.4242 -17.0294 -16.9076 -16.7814 -16.7495 0.3214 0.6464 9.2527 9.2729 10.3839 10.7482 10.9548 11.0288 14.5423 14.6268 17.1923 17.4362 17.7223 17.7466 20.8619 20.9836 21.4322 21.4934 k = 0.5945 0.0158 0.3585 ( 881 PWs) bands (ev): -52.4635 -52.4635 -25.4506 -25.4249 -17.0307 -16.9064 -16.7867 -16.7531 0.3311 0.6590 9.2211 9.2411 10.4286 10.8010 10.9892 11.0659 14.4639 14.5471 17.1978 17.4419 17.7233 17.7448 20.8424 20.9762 21.4276 21.4783 k = 0.5976 0.0070 0.3634 ( 883 PWs) bands (ev): -52.4633 -52.4633 -25.4516 -25.4257 -17.0321 -16.9057 -16.7916 -16.7564 0.3404 0.6706 9.1894 9.2091 10.4739 10.8535 11.0233 11.1022 14.3902 14.4720 17.2061 17.4495 17.7229 17.7419 20.8210 20.9654 21.4195 21.4606 k = 0.6006-0.0018 0.3684 ( 885 PWs) bands (ev): -52.4631 -52.4631 -25.4525 -25.4265 -17.0333 -16.9054 -16.7959 -16.7595 0.3494 0.6812 9.1576 9.1770 10.5194 10.9053 11.0571 11.1378 14.3217 14.4020 17.2172 17.4587 17.7209 17.7379 20.7983 20.9512 21.4078 21.4409 k = 0.6037-0.0106 0.3734 ( 885 PWs) bands (ev): -52.4630 -52.4630 -25.4533 -25.4273 -17.0345 -16.9055 -16.7995 -16.7622 0.3580 0.6908 9.1260 9.1450 10.5646 10.9556 11.0907 11.1724 14.2588 14.3375 17.2311 17.4691 17.7173 17.7334 20.7746 20.9335 21.3927 21.4198 k = 0.6067-0.0194 0.3784 ( 884 PWs) bands (ev): -52.4628 -52.4628 -25.4539 -25.4279 -17.0355 -16.9060 -16.8025 -16.7646 0.3662 0.6993 9.0945 9.1131 10.6092 11.0035 11.1243 11.2058 14.2021 14.2788 17.2478 17.4798 17.7121 17.7292 20.7503 20.9126 21.3744 21.3977 k = 0.6098-0.0282 0.3834 ( 886 PWs) bands (ev): -52.4627 -52.4627 -25.4546 -25.4286 -17.0366 -16.9070 -16.8047 -16.7668 0.3739 0.7067 9.0632 9.0814 10.6526 11.0480 11.1581 11.2378 14.1519 14.2263 17.2670 17.4895 17.7054 17.7264 20.7259 20.8884 21.3531 21.3752 k = 0.6128-0.0370 0.3883 ( 886 PWs) bands (ev): -52.4625 -52.4625 -25.4551 -25.4293 -17.0374 -16.9085 -16.8062 -16.7686 0.3811 0.7129 9.0320 9.0498 10.6944 11.0883 11.1924 11.2684 14.1087 14.1803 17.2887 17.4966 17.6974 17.7268 20.7017 20.8612 21.3289 21.3526 k = 0.6159-0.0458 0.3933 ( 886 PWs) bands (ev): -52.4624 -52.4624 -25.4556 -25.4298 -17.0382 -16.9104 -16.8071 -16.7702 0.3877 0.7180 9.0011 9.0185 10.7344 11.1238 11.2269 11.2973 14.0730 14.1411 17.3124 17.4991 17.6885 17.7325 20.6781 20.8312 21.3022 21.3306 k = 0.6189-0.0546 0.3983 ( 886 PWs) bands (ev): -52.4623 -52.4623 -25.4560 -25.4304 -17.0387 -16.9127 -16.8072 -16.7714 0.3937 0.7219 8.9705 8.9875 10.7720 11.1545 11.2612 11.3243 14.0450 14.1091 17.3375 17.4957 17.6794 17.7448 20.6552 20.7985 21.2733 21.3093 k = 0.6220-0.0634 0.4033 ( 890 PWs) bands (ev): -52.4623 -52.4623 -25.4563 -25.4309 -17.0393 -16.9154 -16.8069 -16.7724 0.3991 0.7245 8.9401 8.9567 10.8069 11.1807 11.2943 11.3493 14.0249 14.0842 17.3630 17.4858 17.6711 17.7644 20.6334 20.7634 21.2426 21.2893 k = 0.6250-0.0722 0.4082 ( 890 PWs) bands (ev): -52.4622 -52.4622 -25.4565 -25.4314 -17.0395 -16.9181 -16.8059 -16.7730 0.4038 0.7260 8.9100 8.9262 10.8390 11.2029 11.3251 11.3721 14.0130 14.0667 17.3876 17.4704 17.6655 17.7908 20.6128 20.7263 21.2104 21.2707 k = 0.6250-0.0722 0.4082 ( 890 PWs) bands (ev): -52.4622 -52.4622 -25.4565 -25.4314 -17.0395 -16.9181 -16.8059 -16.7730 0.4038 0.7260 8.9100 8.9262 10.8390 11.2029 11.3251 11.3721 14.0130 14.0667 17.3876 17.4704 17.6655 17.7908 20.6128 20.7263 21.2104 21.2707 k = 0.6198-0.0692 0.4168 ( 890 PWs) bands (ev): -52.4622 -52.4622 -25.4565 -25.4314 -17.0395 -16.9180 -16.8060 -16.7732 0.4039 0.7263 8.9115 8.9278 10.8349 11.1904 11.3217 11.3896 14.0125 14.0673 17.3457 17.5116 17.6352 17.8210 20.6021 20.7364 21.1874 21.2956 k = 0.6146-0.0662 0.4253 ( 886 PWs) bands (ev): -52.4622 -52.4622 -25.4564 -25.4313 -17.0393 -16.9177 -16.8063 -16.7734 0.4039 0.7271 8.9160 8.9327 10.8228 11.1578 11.3236 11.4248 14.0108 14.0689 17.2785 17.5661 17.5884 17.8783 20.5773 20.7591 21.1503 21.3383 k = 0.6094-0.0631 0.4338 ( 886 PWs) bands (ev): -52.4622 -52.4621 -25.4565 -25.4313 -17.0392 -16.9172 -16.8070 -16.7739 0.4040 0.7285 8.9236 8.9407 10.8037 11.1138 11.3339 11.4645 14.0080 14.0714 17.2081 17.5104 17.6481 17.9407 20.5471 20.7843 21.1148 21.3846 k = 0.6042-0.0601 0.4423 ( 886 PWs) bands (ev): -52.4621 -52.4621 -25.4567 -25.4313 -17.0389 -16.9165 -16.8080 -16.7747 0.4042 0.7304 8.9341 8.9518 10.7789 11.0641 11.3498 11.5048 14.0042 14.0748 17.1375 17.4453 17.7158 18.0035 20.5151 20.8055 21.0859 21.4321 k = 0.5990-0.0571 0.4508 ( 886 PWs) bands (ev): -52.4621 -52.4621 -25.4568 -25.4313 -17.0387 -16.9156 -16.8092 -16.7756 0.4043 0.7328 8.9476 8.9659 10.7495 11.0113 11.3691 11.5443 13.9996 14.0789 17.0674 17.3803 17.7826 18.0652 20.4830 20.8169 21.0685 21.4803 k = 0.5938-0.0541 0.4593 ( 888 PWs) bands (ev): -52.4621 -52.4621 -25.4571 -25.4313 -17.0384 -16.9146 -16.8106 -16.7767 0.4046 0.7357 8.9639 8.9831 10.7165 10.9565 11.3904 11.5823 13.9940 14.0835 16.9985 17.3164 17.8479 18.1249 20.4514 20.8137 21.0668 21.5286 k = 0.5885-0.0511 0.4678 ( 894 PWs) bands (ev): -52.4621 -52.4621 -25.4574 -25.4315 -17.0381 -16.9135 -16.8124 -16.7782 0.4048 0.7389 8.9830 9.0031 10.6809 10.9004 11.4126 11.6182 13.9875 14.0886 16.9312 17.2544 17.9113 18.1820 20.4207 20.7956 21.0806 21.5768 k = 0.5833-0.0481 0.4763 ( 894 PWs) bands (ev): -52.4621 -52.4621 -25.4577 -25.4315 -17.0377 -16.9121 -16.8143 -16.7796 0.4052 0.7425 9.0049 9.0259 10.6434 10.8437 11.4350 11.6519 13.9802 14.0941 16.8659 17.1946 17.9726 18.2362 20.3914 20.7672 21.1054 21.6248 k = 0.5781-0.0451 0.4848 ( 894 PWs) bands (ev): -52.4621 -52.4621 -25.4579 -25.4315 -17.0373 -16.9106 -16.8163 -16.7812 0.4056 0.7464 9.0293 9.0513 10.6046 10.7865 11.4571 11.6833 13.9721 14.0998 16.8030 17.1376 18.0315 18.2870 20.3636 20.7326 21.1367 21.6722 k = 0.5729-0.0421 0.4933 ( 891 PWs) bands (ev): -52.4620 -52.4620 -25.4581 -25.4315 -17.0369 -16.9088 -16.8185 -16.7828 0.4060 0.7506 9.0561 9.0791 10.5648 10.7292 11.4786 11.7122 13.9632 14.1055 16.7431 17.0837 18.0878 18.3342 20.3377 20.6948 21.1713 21.7187 k = 0.5677-0.0391 0.5018 ( 887 PWs) bands (ev): -52.4619 -52.4619 -25.4583 -25.4314 -17.0364 -16.9068 -16.8208 -16.7845 0.4066 0.7549 9.0851 9.1092 10.5245 10.6721 11.4990 11.7386 13.9536 14.1111 16.6862 17.0332 18.1414 18.3774 20.3139 20.6555 21.2074 21.7641 k = 0.5625-0.0361 0.5103 ( 887 PWs) bands (ev): -52.4619 -52.4619 -25.4587 -25.4314 -17.0360 -16.9047 -16.8234 -16.7864 0.4071 0.7593 9.1161 9.1412 10.4839 10.6154 11.5181 11.7625 13.9432 14.1163 16.6329 16.9863 18.1919 18.4165 20.2923 20.6157 21.2435 21.8080 k = 0.5573-0.0331 0.5188 ( 887 PWs) bands (ev): -52.4619 -52.4619 -25.4590 -25.4315 -17.0356 -16.9025 -16.8260 -16.7883 0.4077 0.7637 9.1489 9.1750 10.4434 10.5594 11.5359 11.7838 13.9322 14.1211 16.5835 16.9433 18.2394 18.4512 20.2732 20.5761 21.2790 21.8500 k = 0.5521-0.0301 0.5273 ( 886 PWs) bands (ev): -52.4618 -52.4618 -25.4592 -25.4315 -17.0352 -16.9002 -16.8288 -16.7902 0.4084 0.7681 9.1830 9.2101 10.4033 10.5043 11.5522 11.8027 13.9208 14.1253 16.5382 16.9044 18.2834 18.4814 20.2569 20.5371 21.3131 21.8898 k = 0.5469-0.0271 0.5358 ( 886 PWs) bands (ev): -52.4618 -52.4618 -25.4596 -25.4315 -17.0348 -16.8977 -16.8317 -16.7921 0.4090 0.7723 9.2181 9.2462 10.3641 10.4507 11.5669 11.8193 13.9090 14.1287 16.4973 16.8697 18.3240 18.5072 20.2434 20.4993 21.3455 21.9271 k = 0.5417-0.0241 0.5443 ( 884 PWs) bands (ev): -52.4617 -52.4617 -25.4598 -25.4315 -17.0345 -16.8950 -16.8347 -16.7939 0.4097 0.7764 9.2537 9.2827 10.3259 10.3988 11.5801 11.8336 13.8971 14.1312 16.4611 16.8393 18.3610 18.5286 20.2329 20.4630 21.3755 21.9616 k = 0.5365-0.0210 0.5528 ( 884 PWs) bands (ev): -52.4617 -52.4617 -25.4601 -25.4316 -17.0342 -16.8923 -16.8377 -16.7957 0.4104 0.7802 9.2891 9.3189 10.2895 10.3493 11.5916 11.8458 13.8853 14.1328 16.4294 16.8130 18.3940 18.5458 20.2256 20.4284 21.4028 21.9928 k = 0.5312-0.0180 0.5613 ( 884 PWs) bands (ev): -52.4617 -52.4617 -25.4603 -25.4316 -17.0339 -16.8896 -16.8408 -16.7972 0.4111 0.7837 9.3236 9.3541 10.2553 10.3029 11.6015 11.8560 13.8739 14.1335 16.4026 16.7910 18.4230 18.5589 20.2214 20.3959 21.4270 22.0206 k = 0.5260-0.0150 0.5698 ( 884 PWs) bands (ev): -52.4616 -52.4616 -25.4606 -25.4317 -17.0337 -16.8868 -16.8439 -16.7987 0.4117 0.7868 9.3562 9.3874 10.2240 10.2603 11.6098 11.8644 13.8632 14.1334 16.3804 16.7730 18.4477 18.5685 20.2204 20.3658 21.4480 22.0445 k = 0.5208-0.0120 0.5784 ( 884 PWs) bands (ev): -52.4616 -52.4616 -25.4608 -25.4317 -17.0336 -16.8840 -16.8470 -16.7999 0.4122 0.7895 9.3860 9.4174 10.1963 10.2226 11.6166 11.8710 13.8535 14.1326 16.3629 16.7589 18.4680 18.5751 20.2224 20.3383 21.4653 22.0644 k = 0.5156-0.0090 0.5869 ( 884 PWs) bands (ev): -52.4616 -52.4616 -25.4609 -25.4317 -17.0335 -16.8813 -16.8498 -16.8009 0.4127 0.7917 9.4115 9.4429 10.1733 10.1913 11.6218 11.8760 13.8453 14.1313 16.3498 16.7485 18.4835 18.5792 20.2274 20.3137 21.4790 22.0801 k = 0.5104-0.0060 0.5954 ( 884 PWs) bands (ev): -52.4616 -52.4616 -25.4610 -25.4318 -17.0334 -16.8790 -16.8523 -16.8016 0.4131 0.7933 9.4314 9.4623 10.1557 10.1677 11.6255 11.8795 13.8389 14.1299 16.3409 16.7414 18.4943 18.5817 20.2351 20.2920 21.4887 22.0913 k = 0.5052-0.0030 0.6039 ( 890 PWs) bands (ev): -52.4616 -52.4616 -25.4612 -25.4319 -17.0335 -16.8774 -16.8542 -16.8021 0.4133 0.7943 9.4441 9.4745 10.1444 10.1533 11.6276 11.8815 13.8348 14.1287 16.3357 16.7373 18.5003 18.5829 20.2454 20.2735 21.4945 22.0981 k = 0.5000 0.0000 0.6124 ( 892 PWs) bands (ev): -52.4616 -52.4616 -25.4613 -25.4320 -17.0336 -16.8768 -16.8550 -16.8023 0.4134 0.7947 9.4486 9.4786 10.1403 10.1487 11.6283 11.8821 13.8333 14.1282 16.3341 16.7360 18.5022 18.5832 20.2572 20.2590 21.4965 22.1003 k = 0.5000 0.0000 0.6124 ( 892 PWs) bands (ev): -52.4616 -52.4616 -25.4613 -25.4320 -17.0336 -16.8768 -16.8550 -16.8023 0.4134 0.7947 9.4486 9.4786 10.1403 10.1487 11.6283 11.8821 13.8333 14.1282 16.3341 16.7360 18.5022 18.5832 20.2572 20.2590 21.4965 22.1003 k = 0.5000 0.0061 0.6037 ( 890 PWs) bands (ev): -52.4616 -52.4616 -25.4612 -25.4319 -17.0335 -16.8768 -16.8548 -16.8021 0.4131 0.7942 9.4486 9.4798 10.1389 10.1478 11.6265 11.8809 13.8359 14.1291 16.3358 16.7370 18.4987 18.5824 20.2422 20.2819 21.4956 22.0990 k = 0.5000 0.0123 0.5950 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4611 -25.4318 -17.0334 -16.8770 -16.8541 -16.8014 0.4120 0.7928 9.4487 9.4834 10.1349 10.1451 11.6213 11.8773 13.8436 14.1320 16.3410 16.7399 18.4888 18.5796 20.2344 20.3129 21.4931 22.0950 k = 0.5000 0.0184 0.5863 ( 884 PWs) bands (ev): -52.4616 -52.4616 -25.4608 -25.4315 -17.0333 -16.8773 -16.8530 -16.8003 0.4102 0.7904 9.4493 9.4890 10.1283 10.1406 11.6125 11.8710 13.8565 14.1369 16.3495 16.7448 18.4735 18.5741 20.2349 20.3505 21.4888 22.0884 k = 0.5000 0.0246 0.5776 ( 884 PWs) bands (ev): -52.4617 -52.4617 -25.4605 -25.4313 -17.0331 -16.8779 -16.8515 -16.7989 0.4078 0.7871 9.4505 9.4963 10.1196 10.1341 11.6000 11.8619 13.8746 14.1444 16.3610 16.7515 18.4538 18.5652 20.2434 20.3940 21.4829 22.0792 k = 0.5000 0.0307 0.5689 ( 884 PWs) bands (ev): -52.4617 -52.4617 -25.4601 -25.4310 -17.0329 -16.8787 -16.8495 -16.7971 0.4046 0.7829 9.4525 9.5051 10.1088 10.1257 11.5840 11.8497 13.8980 14.1548 16.3756 16.7600 18.4308 18.5528 20.2595 20.4424 21.4754 22.0674 k = 0.5000 0.0369 0.5603 ( 884 PWs) bands (ev): -52.4618 -52.4618 -25.4597 -25.4307 -17.0327 -16.8797 -16.8469 -16.7950 0.4008 0.7777 9.4555 9.5153 10.0964 10.1157 11.5643 11.8340 13.9267 14.1688 16.3928 16.7702 18.4053 18.5369 20.2828 20.4950 21.4662 22.0530 k = 0.5000 0.0430 0.5516 ( 888 PWs) bands (ev): -52.4620 -52.4620 -25.4593 -25.4304 -17.0326 -16.8811 -16.8439 -16.7926 0.3963 0.7715 9.4594 9.5268 10.0824 10.1041 11.5410 11.8146 13.9607 14.1869 16.4124 16.7821 18.3779 18.5178 20.3122 20.5506 21.4555 22.0360 k = 0.5000 0.0491 0.5429 ( 890 PWs) bands (ev): -52.4621 -52.4621 -25.4588 -25.4300 -17.0323 -16.8826 -16.8403 -16.7899 0.3912 0.7645 9.4644 9.5394 10.0672 10.0913 11.5141 11.7912 14.0001 14.2096 16.4342 16.7956 18.3492 18.4957 20.3471 20.6085 21.4435 22.0167 k = 0.5000 0.0553 0.5342 ( 890 PWs) bands (ev): -52.4622 -52.4622 -25.4582 -25.4295 -17.0319 -16.8843 -16.8362 -16.7869 0.3855 0.7566 9.4703 9.5530 10.0511 10.0774 11.4839 11.7636 14.0447 14.2374 16.4580 16.8106 18.3196 18.4712 20.3865 20.6676 21.4302 21.9949 k = 0.5000 0.0614 0.5255 ( 888 PWs) bands (ev): -52.4623 -52.4623 -25.4574 -25.4289 -17.0314 -16.8862 -16.8316 -16.7837 0.3792 0.7477 9.4771 9.5677 10.0342 10.0628 11.4504 11.7318 14.0944 14.2707 16.4835 16.8272 18.2894 18.4446 20.4294 20.7270 21.4158 21.9709 k = 0.5000 0.0676 0.5168 ( 888 PWs) bands (ev): -52.4625 -52.4625 -25.4566 -25.4283 -17.0309 -16.8882 -16.8266 -16.7802 0.3723 0.7380 9.4849 9.5832 10.0169 10.0476 11.4137 11.6957 14.1492 14.3098 16.5105 16.8451 18.2589 18.4165 20.4749 20.7857 21.4005 21.9447 k = 0.5000 0.0737 0.5081 ( 884 PWs) bands (ev): -52.4626 -52.4626 -25.4557 -25.4276 -17.0303 -16.8902 -16.8212 -16.7764 0.3649 0.7274 9.4935 9.5995 9.9995 10.0323 11.3743 11.6556 14.2088 14.3549 16.5387 16.8643 18.2284 18.3872 20.5221 20.8427 21.3846 21.9163 k = 0.5000 0.0798 0.4995 ( 888 PWs) bands (ev): -52.4628 -52.4628 -25.4549 -25.4271 -17.0297 -16.8926 -16.8155 -16.7726 0.3570 0.7159 9.5027 9.6163 9.9821 10.0168 11.3323 11.6114 14.2729 14.4060 16.5679 16.8847 18.1978 18.3569 20.5699 20.8967 21.3685 21.8859 k = 0.5000 0.0860 0.4908 ( 888 PWs) bands (ev): -52.4630 -52.4630 -25.4539 -25.4264 -17.0290 -16.8949 -16.8094 -16.7685 0.3487 0.7036 9.5126 9.6335 9.9650 10.0017 11.2880 11.5637 14.3414 14.4631 16.5981 16.9063 18.1675 18.3261 20.6176 20.9463 21.3531 21.8537 k = 0.5000 0.0921 0.4821 ( 884 PWs) bands (ev): -52.4632 -52.4632 -25.4528 -25.4256 -17.0282 -16.8972 -16.8030 -16.7642 0.3399 0.6905 9.5230 9.6508 9.9487 9.9872 11.2418 11.5127 14.4140 14.5261 16.6292 16.9291 18.1376 18.2951 20.6644 20.9900 21.3391 21.8199 k = 0.5000 0.0983 0.4734 ( 884 PWs) bands (ev): -52.4634 -52.4634 -25.4517 -25.4248 -17.0273 -16.8997 -16.7965 -16.7598 0.3308 0.6767 9.5337 9.6679 9.9334 9.9736 11.1940 11.4589 14.4904 14.5948 16.6610 16.9529 18.1081 18.2639 20.7095 21.0259 21.3278 21.7847 k = 0.5000 0.1044 0.4647 ( 886 PWs) bands (ev): -52.4636 -52.4636 -25.4507 -25.4241 -17.0265 -16.9022 -16.7897 -16.7553 0.3213 0.6621 9.5445 9.6844 9.9197 9.9612 11.1451 11.4027 14.5702 14.6688 16.6934 16.9778 18.0791 18.2327 20.7523 21.0517 21.3206 21.7483 k = 0.5000 0.1106 0.4560 ( 880 PWs) bands (ev): -52.4638 -52.4638 -25.4494 -25.4232 -17.0254 -16.9047 -16.7826 -16.7504 0.3116 0.6468 9.5552 9.6996 9.9081 9.9505 11.0953 11.3446 14.6534 14.7479 16.7265 17.0036 18.0507 18.2018 20.7921 21.0662 21.3184 21.7113 k = 0.5000 0.1167 0.4473 ( 880 PWs) bands (ev): -52.4640 -52.4640 -25.4482 -25.4225 -17.0244 -16.9073 -16.7755 -16.7456 0.3017 0.6309 9.5655 9.7125 9.8992 9.9417 11.0450 11.2851 14.7396 14.8315 16.7602 17.0303 18.0229 18.1713 20.8282 21.0691 21.3204 21.6740 k = 0.5000 0.1228 0.4386 ( 880 PWs) bands (ev): -52.4642 -52.4642 -25.4469 -25.4217 -17.0233 -16.9100 -16.7683 -16.7406 0.2916 0.6143 9.5752 9.7224 9.8938 9.9356 10.9945 11.2245 14.8285 14.9191 16.7944 17.0579 17.9959 18.1412 20.8600 21.0625 21.3239 21.6372 k = 0.5000 0.1290 0.4300 ( 882 PWs) bands (ev): -52.4645 -52.4645 -25.4457 -25.4210 -17.0223 -16.9127 -16.7610 -16.7356 0.2814 0.5972 9.5838 9.7282 9.8921 9.9328 10.9442 11.1634 14.9200 15.0104 16.8292 17.0864 17.9696 18.1116 20.8869 21.0490 21.3254 21.6019 k = 0.5000 0.1351 0.4213 ( 882 PWs) bands (ev): -52.4647 -52.4647 -25.4444 -25.4202 -17.0211 -16.9153 -16.7537 -16.7305 0.2711 0.5796 9.5911 9.7299 9.8939 9.9343 10.8944 11.1023 15.0138 15.1048 16.8646 17.1157 17.9441 18.0826 20.9079 21.0316 21.3215 21.5689 k = 0.5000 0.1413 0.4126 ( 882 PWs) bands (ev): -52.4649 -52.4649 -25.4431 -25.4195 -17.0199 -16.9180 -16.7464 -16.7253 0.2609 0.5615 9.5967 9.7277 9.8982 9.9406 10.8454 11.0414 15.1097 15.2017 16.9006 17.1457 17.9196 18.0544 20.9215 21.0132 21.3099 21.5390 k = 0.5000 0.1474 0.4039 ( 882 PWs) bands (ev): -52.4652 -52.4652 -25.4417 -25.4188 -17.0186 -16.9207 -16.7391 -16.7200 0.2507 0.5431 9.6006 9.7226 9.9044 9.9516 10.7974 10.9813 15.2073 15.3008 16.9372 17.1764 17.8961 18.0270 20.9248 20.9976 21.2896 21.5123 k = 0.5000 0.1536 0.3952 ( 882 PWs) bands (ev): -52.4654 -52.4654 -25.4404 -25.4180 -17.0173 -16.9235 -16.7318 -16.7148 0.2407 0.5243 9.6026 9.7155 9.9124 9.9663 10.7507 10.9221 15.3063 15.4015 16.9745 17.2078 17.8737 18.0005 20.9153 20.9879 21.2611 21.4873 k = 0.5000 0.1597 0.3865 ( 884 PWs) bands (ev): -52.4657 -52.4657 -25.4391 -25.4174 -17.0160 -16.9262 -16.7247 -16.7095 0.2308 0.5053 9.6027 9.7071 9.9222 9.9835 10.7055 10.8643 15.4064 15.5033 17.0123 17.2396 17.8525 17.9749 20.8955 20.9818 21.2261 21.4622 k = 0.5000 0.1658 0.3778 ( 880 PWs) bands (ev): -52.4659 -52.4659 -25.4376 -25.4167 -17.0145 -16.9289 -16.7175 -16.7042 0.2213 0.4861 9.6011 9.6980 9.9342 10.0024 10.6622 10.8082 15.5073 15.6058 17.0508 17.2720 17.8327 17.9504 20.8706 20.9751 21.1864 21.4352 k = 0.5000 0.1720 0.3692 ( 880 PWs) bands (ev): -52.4661 -52.4661 -25.4362 -25.4160 -17.0131 -16.9316 -16.7106 -16.6990 0.2121 0.4668 9.5980 9.6884 9.9480 10.0220 10.6207 10.7540 15.6085 15.7084 17.0898 17.3047 17.8144 17.9271 20.8431 20.9653 21.1434 21.4046 k = 0.5000 0.1781 0.3605 ( 884 PWs) bands (ev): -52.4663 -52.4663 -25.4349 -25.4156 -17.0117 -16.9344 -16.7040 -16.6939 0.2032 0.4474 9.5936 9.6786 9.9634 10.0418 10.5812 10.7020 15.7096 15.8104 17.1294 17.3376 17.7978 17.9050 20.8144 20.9512 21.0984 21.3694 k = 0.5000 0.1843 0.3518 ( 884 PWs) bands (ev): -52.4666 -52.4666 -25.4335 -25.4150 -17.0102 -16.9371 -16.6975 -16.6888 0.1949 0.4281 9.5883 9.6687 9.9802 10.0617 10.5440 10.6524 15.8100 15.9114 17.1695 17.3705 17.7830 17.8845 20.7853 20.9327 21.0523 21.3292 k = 0.5000 0.1904 0.3431 ( 882 PWs) bands (ev): -52.4668 -52.4668 -25.4321 -25.4145 -17.0086 -16.9397 -16.6911 -16.6838 0.1871 0.4089 9.5824 9.6588 9.9981 10.0811 10.5091 10.6054 15.9093 16.0108 17.2102 17.4034 17.7704 17.8656 20.7560 20.9099 21.0058 21.2838 k = 0.5000 0.1965 0.3344 ( 880 PWs) bands (ev): -52.4669 -52.4669 -25.4307 -25.4140 -17.0070 -16.9424 -16.6850 -16.6789 0.1799 0.3899 9.5758 9.6488 10.0168 10.1000 10.4766 10.5612 16.0070 16.1077 17.2512 17.4359 17.7601 17.8485 20.7268 20.8828 20.9594 21.2332 k = 0.5000 0.2027 0.3257 ( 882 PWs) bands (ev): -52.4671 -52.4671 -25.4295 -25.4137 -17.0055 -16.9451 -16.6793 -16.6742 0.1733 0.3712 9.5691 9.6388 10.0359 10.1179 10.4465 10.5199 16.1023 16.2015 17.2925 17.4678 17.7523 17.8334 20.6977 20.8515 20.9139 21.1781 k = 0.5000 0.2088 0.3170 ( 880 PWs) bands (ev): -52.4673 -52.4673 -25.4281 -25.4134 -17.0038 -16.9478 -16.6737 -16.6697 0.1675 0.3528 9.5623 9.6288 10.0553 10.1347 10.4190 10.4816 16.1947 16.2915 17.3340 17.4989 17.7474 17.8207 20.6687 20.8164 20.8698 21.1196 k = 0.5000 0.2150 0.3084 ( 882 PWs) bands (ev): -52.4675 -52.4675 -25.4269 -25.4132 -17.0022 -16.9504 -16.6687 -16.6654 0.1624 0.3349 9.5555 9.6189 10.0746 10.1501 10.3940 10.4465 16.2834 16.3767 17.3754 17.5288 17.7454 17.8104 20.6397 20.7776 20.8277 21.0593 k = 0.5000 0.2211 0.2997 ( 882 PWs) bands (ev): -52.4677 -52.4677 -25.4257 -25.4130 -17.0005 -16.9530 -16.6639 -16.6614 0.1581 0.3174 9.5491 9.6091 10.0935 10.1639 10.3716 10.4147 16.3678 16.4565 17.4165 17.5573 17.7466 17.8028 20.6105 20.7354 20.7883 20.9994 k = 0.5000 0.2273 0.2910 ( 880 PWs) bands (ev): -52.4678 -52.4678 -25.4245 -25.4128 -16.9987 -16.9555 -16.6594 -16.6575 0.1548 0.3006 9.5430 9.5994 10.1120 10.1760 10.3518 10.3861 16.4470 16.5300 17.4570 17.5841 17.7509 17.7982 20.5810 20.6907 20.7526 20.9421 k = 0.5000 0.2334 0.2823 ( 880 PWs) bands (ev): -52.4680 -52.4679 -25.4233 -25.4127 -16.9970 -16.9581 -16.6554 -16.6540 0.1523 0.2843 9.5375 9.5899 10.1297 10.1862 10.3345 10.3611 16.5204 16.5965 17.4964 17.6090 17.7582 17.7964 20.5510 20.6444 20.7211 20.8890 k = 0.5000 0.2395 0.2736 ( 880 PWs) bands (ev): -52.4681 -52.4681 -25.4222 -25.4128 -16.9952 -16.9606 -16.6517 -16.6507 0.1508 0.2688 9.5326 9.5806 10.1463 10.1943 10.3194 10.3397 16.5873 16.6556 17.5344 17.6320 17.7679 17.7976 20.5208 20.5981 20.6942 20.8411 k = 0.5000 0.2457 0.2649 ( 884 PWs) bands (ev): -52.4682 -52.4682 -25.4212 -25.4129 -16.9934 -16.9631 -16.6486 -16.6479 0.1503 0.2541 9.5284 9.5716 10.1617 10.2002 10.3061 10.3224 16.6471 16.7067 17.5704 17.6530 17.7794 17.8012 20.4908 20.5537 20.6721 20.7981 k = 0.5000 0.2518 0.2562 ( 882 PWs) bands (ev): -52.4683 -52.4683 -25.4202 -25.4130 -16.9915 -16.9655 -16.6457 -16.6453 0.1508 0.2401 9.5251 9.5631 10.1754 10.2040 10.2943 10.3097 16.6994 16.7500 17.6037 17.6720 17.7920 17.8070 20.4619 20.5134 20.6549 20.7597 k = 0.5000 0.2580 0.2476 ( 882 PWs) bands (ev): -52.4684 -52.4684 -25.4192 -25.4132 -16.9896 -16.9680 -16.6433 -16.6430 0.1524 0.2271 9.5227 9.5551 10.1870 10.2061 10.2841 10.3008 16.7439 16.7854 17.6337 17.6888 17.8046 17.8141 20.4352 20.4783 20.6422 20.7244 k = 0.5000 0.2641 0.2389 ( 882 PWs) bands (ev): -52.4685 -52.4685 -25.4184 -25.4135 -16.9876 -16.9703 -16.6413 -16.6412 0.1550 0.2150 9.5214 9.5477 10.1961 10.2070 10.2767 10.2944 16.7806 16.8131 17.6599 17.7029 17.8163 17.8216 20.4123 20.4487 20.6337 20.6912 k = 0.5000 0.2702 0.2302 ( 884 PWs) bands (ev): -52.4685 -52.4685 -25.4176 -25.4140 -16.9856 -16.9727 -16.6398 -16.6398 0.1588 0.2038 9.5210 9.5411 10.2022 10.2071 10.2726 10.2894 16.8095 16.8333 17.6819 17.7138 17.8264 17.8288 20.3946 20.4244 20.6292 20.6625 k = 0.5000 0.2764 0.2215 ( 886 PWs) bands (ev): -52.4686 -52.4686 -25.4169 -25.4144 -16.9836 -16.9750 -16.6388 -16.6388 0.1636 0.1936 9.5218 9.5353 10.2055 10.2070 10.2719 10.2850 16.8309 16.8465 17.6993 17.7206 17.8341 17.8348 20.3834 20.4051 20.6283 20.6425 k = 0.5000 0.2825 0.2128 ( 886 PWs) bands (ev): -52.4686 -52.4686 -25.4162 -25.4149 -16.9815 -16.9772 -16.6381 -16.6381 0.1695 0.1845 9.5236 9.5304 10.2068 10.2070 10.2738 10.2809 16.8452 16.8529 17.7121 17.7227 17.8388 17.8389 20.3792 20.3907 20.6302 20.6330 k = 0.5000 0.2887 0.2041 ( 886 PWs) bands (ev): -52.4686 -52.4686 -25.4155 -25.4155 -16.9794 -16.9794 -16.6379 -16.6379 0.1765 0.1765 9.5264 9.5264 10.2070 10.2070 10.2770 10.2770 16.8524 16.8524 17.7199 17.7199 17.8403 17.8403 20.3818 20.3818 20.6317 20.6317 k = 0.5000 0.2887 0.2041 ( 886 PWs) bands (ev): -52.4686 -52.4686 -25.4155 -25.4155 -16.9794 -16.9794 -16.6379 -16.6379 0.1765 0.1765 9.5264 9.5264 10.2070 10.2070 10.2770 10.2770 16.8524 16.8524 17.7199 17.7199 17.8403 17.8403 20.3818 20.3818 20.6317 20.6317 k = 0.4970 0.2869 0.2141 ( 886 PWs) bands (ev): -52.4686 -52.4686 -25.4161 -25.4149 -16.9815 -16.9772 -16.6381 -16.6381 0.1695 0.1845 9.5236 9.5303 10.2068 10.2070 10.2738 10.2809 16.8452 16.8529 17.7121 17.7227 17.8388 17.8389 20.3792 20.3906 20.6312 20.6319 k = 0.4939 0.2852 0.2240 ( 886 PWs) bands (ev): -52.4686 -52.4686 -25.4168 -25.4144 -16.9836 -16.9750 -16.6388 -16.6388 0.1636 0.1935 9.5218 9.5352 10.2054 10.2071 10.2719 10.2849 16.8312 16.8467 17.6996 17.7206 17.8341 17.8349 20.3834 20.4048 20.6329 20.6361 k = 0.4909 0.2834 0.2340 ( 884 PWs) bands (ev): -52.4685 -52.4685 -25.4176 -25.4140 -16.9856 -16.9727 -16.6398 -16.6397 0.1588 0.2036 9.5210 9.5409 10.2020 10.2074 10.2726 10.2892 16.8100 16.8337 17.6824 17.7140 17.8264 17.8291 20.3946 20.4235 20.6397 20.6457 k = 0.4878 0.2816 0.2440 ( 882 PWs) bands (ev): -52.4685 -52.4685 -25.4183 -25.4136 -16.9875 -16.9704 -16.6412 -16.6411 0.1551 0.2146 9.5213 9.5475 10.1957 10.2079 10.2765 10.2940 16.7815 16.8137 17.6612 17.7033 17.8161 17.8217 20.4129 20.4461 20.6523 20.6605 k = 0.4848 0.2799 0.2539 ( 882 PWs) bands (ev): -52.4684 -52.4684 -25.4192 -25.4133 -16.9895 -16.9680 -16.6432 -16.6430 0.1525 0.2266 9.5227 9.5547 10.1864 10.2081 10.2839 10.2996 16.7452 16.7864 17.6366 17.6898 17.8039 17.8133 20.4378 20.4716 20.6711 20.6798 k = 0.4817 0.2781 0.2639 ( 881 PWs) bands (ev): -52.4683 -52.4683 -25.4201 -25.4130 -16.9914 -16.9656 -16.6455 -16.6452 0.1509 0.2395 9.5250 9.5624 10.1745 10.2078 10.2944 10.3066 16.7011 16.7515 17.6093 17.6743 17.7903 17.8041 20.4684 20.4994 20.6967 20.7034 k = 0.4787 0.2764 0.2738 ( 883 PWs) bands (ev): -52.4682 -52.4682 -25.4212 -25.4129 -16.9933 -16.9632 -16.6484 -16.6478 0.1503 0.2533 9.5283 9.5705 10.1606 10.2068 10.3077 10.3154 16.6492 16.7086 17.5804 17.6581 17.7760 17.7940 20.5036 20.5284 20.7293 20.7312 k = 0.4756 0.2746 0.2838 ( 883 PWs) bands (ev): -52.4681 -52.4681 -25.4222 -25.4128 -16.9951 -16.9608 -16.6515 -16.6507 0.1508 0.2679 9.5323 9.5786 10.1452 10.2052 10.3236 10.3264 16.5896 16.6576 17.5508 17.6420 17.7615 17.7834 20.5419 20.5579 20.7629 20.7692 k = 0.4726 0.2728 0.2937 ( 883 PWs) bands (ev): -52.4680 -52.4680 -25.4233 -25.4128 -16.9969 -16.9583 -16.6551 -16.6539 0.1522 0.2833 9.5370 9.5866 10.1288 10.2031 10.3396 10.3416 16.5227 16.5986 17.5214 17.6265 17.7472 17.7725 20.5818 20.5875 20.7987 20.8158 k = 0.4695 0.2711 0.3037 ( 881 PWs) bands (ev): -52.4678 -52.4678 -25.4244 -25.4128 -16.9986 -16.9557 -16.6590 -16.6574 0.1546 0.2993 9.5421 9.5939 10.1120 10.2011 10.3552 10.3618 16.4490 16.5319 17.4928 17.6119 17.7336 17.7614 20.6170 20.6218 20.8381 20.8684 k = 0.4665 0.2693 0.3137 ( 881 PWs) bands (ev): -52.4677 -52.4677 -25.4256 -25.4129 -17.0004 -16.9532 -16.6633 -16.6612 0.1579 0.3160 9.5474 9.6003 10.0951 10.1996 10.3729 10.3839 16.3693 16.4578 17.4652 17.5982 17.7209 17.7507 20.6463 20.6607 20.8809 20.9257 k = 0.4634 0.2676 0.3236 ( 883 PWs) bands (ev): -52.4675 -52.4675 -25.4268 -25.4132 -17.0021 -16.9507 -16.6680 -16.6653 0.1620 0.3332 9.5525 9.6052 10.0787 10.1993 10.3926 10.4078 16.2841 16.3772 17.4389 17.5853 17.7096 17.7407 20.6753 20.6977 20.9263 20.9862 k = 0.4604 0.2658 0.3336 ( 885 PWs) bands (ev): -52.4674 -52.4674 -25.4281 -25.4135 -17.0038 -16.9481 -16.6731 -16.6696 0.1670 0.3509 9.5569 9.6083 10.0634 10.2008 10.4144 10.4334 16.1944 16.2908 17.4138 17.5728 17.6998 17.7318 20.7042 20.7323 20.9732 21.0482 k = 0.4573 0.2640 0.3435 ( 882 PWs) bands (ev): -52.4672 -52.4672 -25.4293 -25.4137 -17.0054 -16.9454 -16.6784 -16.6740 0.1728 0.3690 9.5601 9.6089 10.0502 10.2050 10.4380 10.4608 16.1008 16.1995 17.3900 17.5605 17.6918 17.7245 20.7328 20.7644 21.0208 21.1101 k = 0.4543 0.2623 0.3535 ( 883 PWs) bands (ev): -52.4670 -52.4670 -25.4307 -25.4141 -17.0070 -16.9428 -16.6840 -16.6787 0.1793 0.3875 9.5614 9.6068 10.0397 10.2124 10.4632 10.4896 16.0040 16.1042 17.3672 17.5482 17.6856 17.7189 20.7609 20.7939 21.0679 21.1704 k = 0.4512 0.2605 0.3634 ( 883 PWs) bands (ev): -52.4668 -52.4668 -25.4320 -25.4145 -17.0087 -16.9401 -16.6898 -16.6834 0.1864 0.4061 9.5603 9.6015 10.0328 10.2234 10.4900 10.5199 15.9048 16.0056 17.3454 17.5356 17.6812 17.7152 20.7884 20.8205 21.1138 21.2277 k = 0.4482 0.2588 0.3734 ( 883 PWs) bands (ev): -52.4666 -52.4666 -25.4333 -25.4150 -17.0102 -16.9375 -16.6960 -16.6884 0.1942 0.4250 9.5561 9.5930 10.0301 10.2385 10.5182 10.5515 15.8037 15.9045 17.3245 17.5228 17.6786 17.7135 20.8151 20.8445 21.1577 21.2810 k = 0.4451 0.2570 0.3834 ( 881 PWs) bands (ev): -52.4663 -52.4663 -25.4346 -25.4155 -17.0117 -16.9348 -16.7022 -16.6933 0.2025 0.4439 9.5484 9.5812 10.0323 10.2578 10.5477 10.5844 15.7014 15.8017 17.3047 17.5100 17.6778 17.7134 20.8408 20.8655 21.1992 21.3297 k = 0.4421 0.2552 0.3933 ( 879 PWs) bands (ev): -52.4661 -52.4661 -25.4359 -25.4160 -17.0132 -16.9321 -16.7087 -16.6983 0.2112 0.4628 9.5369 9.5663 10.0396 10.2812 10.5784 10.6183 15.5983 15.6978 17.2860 17.4974 17.6785 17.7149 20.8652 20.8835 21.2379 21.3731 k = 0.4390 0.2535 0.4033 ( 879 PWs) bands (ev): -52.4659 -52.4659 -25.4372 -25.4166 -17.0148 -16.9295 -16.7154 -16.7034 0.2204 0.4816 9.5219 9.5484 10.0521 10.3087 10.6101 10.6532 15.4950 15.5934 17.2684 17.4851 17.6806 17.7175 20.8880 20.8983 21.2735 21.4109 k = 0.4360 0.2517 0.4132 ( 881 PWs) bands (ev): -52.4657 -52.4657 -25.4386 -25.4173 -17.0163 -16.9269 -16.7222 -16.7086 0.2300 0.5002 9.5034 9.5278 10.0696 10.3401 10.6426 10.6890 15.3919 15.4890 17.2522 17.4736 17.6837 17.7210 20.9090 20.9098 21.3057 21.4430 k = 0.4329 0.2500 0.4232 ( 879 PWs) bands (ev): -52.4654 -52.4654 -25.4399 -25.4179 -17.0177 -16.9243 -16.7291 -16.7136 0.2398 0.5186 9.4821 9.5050 10.0918 10.3752 10.6760 10.7256 15.2895 15.3852 17.2375 17.4630 17.6878 17.7252 20.9179 20.9281 21.3345 21.4693 k = 0.4299 0.2482 0.4331 ( 877 PWs) bands (ev): -52.4652 -52.4652 -25.4412 -25.4186 -17.0192 -16.9217 -16.7360 -16.7186 0.2499 0.5366 9.4582 9.4801 10.1181 10.4135 10.7101 10.7628 15.1882 15.2824 17.2244 17.4535 17.6925 17.7296 20.9225 20.9449 21.3597 21.4898 k = 0.4268 0.2464 0.4431 ( 883 PWs) bands (ev): -52.4650 -52.4650 -25.4426 -25.4195 -17.0208 -16.9194 -16.7429 -16.7235 0.2601 0.5541 9.4321 9.4535 10.1482 10.4549 10.7445 10.8004 15.0883 15.1810 17.2131 17.4455 17.6976 17.7339 20.9235 20.9592 21.3812 21.5047 k = 0.4238 0.2447 0.4531 ( 881 PWs) bands (ev): -52.4648 -52.4648 -25.4438 -25.4202 -17.0222 -16.9170 -16.7497 -16.7283 0.2704 0.5712 9.4045 9.4256 10.1816 10.4990 10.7794 10.8384 14.9903 15.0816 17.2038 17.4391 17.7028 17.7380 20.9212 20.9708 21.3991 21.5144 k = 0.4207 0.2429 0.4630 ( 879 PWs) bands (ev): -52.4645 -52.4645 -25.4450 -25.4209 -17.0237 -16.9147 -16.7565 -16.7329 0.2808 0.5877 9.3757 9.3965 10.2179 10.5455 10.8146 10.8767 14.8946 14.9844 17.1967 17.4345 17.7079 17.7416 20.9154 20.9797 21.4132 21.5189 k = 0.4177 0.2411 0.4730 ( 877 PWs) bands (ev): -52.4643 -52.4643 -25.4462 -25.4216 -17.0251 -16.9126 -16.7630 -16.7373 0.2911 0.6035 9.3458 9.3666 10.2567 10.5941 10.8498 10.9150 14.8016 14.8900 17.1918 17.4318 17.7127 17.7445 20.9064 20.9856 21.4236 21.5187 k = 0.4146 0.2394 0.4829 ( 879 PWs) bands (ev): -52.4641 -52.4641 -25.4474 -25.4225 -17.0266 -16.9107 -16.7695 -16.7416 0.3014 0.6186 9.3152 9.3358 10.2975 10.6443 10.8850 10.9532 14.7115 14.7986 17.1894 17.4312 17.7168 17.7463 20.8942 20.9882 21.4302 21.5141 k = 0.4116 0.2376 0.4929 ( 882 PWs) bands (ev): -52.4639 -52.4639 -25.4486 -25.4234 -17.0280 -16.9091 -16.7756 -16.7457 0.3115 0.6329 9.2841 9.3045 10.3400 10.6958 10.9200 10.9912 14.6250 14.7107 17.1895 17.4326 17.7200 17.7470 20.8793 20.9876 21.4331 21.5055 k = 0.4085 0.2359 0.5028 ( 882 PWs) bands (ev): -52.4637 -52.4637 -25.4496 -25.4242 -17.0294 -16.9076 -16.7814 -16.7495 0.3214 0.6464 9.2527 9.2729 10.3839 10.7482 10.9548 11.0288 14.5423 14.6268 17.1923 17.4362 17.7223 17.7465 20.8619 20.9836 21.4322 21.4934 k = 0.4055 0.2341 0.5128 ( 881 PWs) bands (ev): -52.4635 -52.4635 -25.4506 -25.4249 -17.0307 -16.9064 -16.7867 -16.7531 0.3311 0.6590 9.2211 9.2411 10.4286 10.8010 10.9892 11.0659 14.4639 14.5471 17.1978 17.4419 17.7233 17.7448 20.8424 20.9762 21.4276 21.4783 k = 0.4024 0.2323 0.5228 ( 883 PWs) bands (ev): -52.4633 -52.4633 -25.4516 -25.4257 -17.0321 -16.9057 -16.7916 -16.7564 0.3404 0.6706 9.1894 9.2091 10.4739 10.8535 11.0233 11.1022 14.3902 14.4720 17.2061 17.4495 17.7229 17.7419 20.8210 20.9654 21.4195 21.4606 k = 0.3994 0.2306 0.5327 ( 885 PWs) bands (ev): -52.4631 -52.4631 -25.4525 -25.4265 -17.0333 -16.9054 -16.7959 -16.7595 0.3494 0.6812 9.1576 9.1770 10.5194 10.9053 11.0571 11.1378 14.3217 14.4020 17.2172 17.4587 17.7209 17.7379 20.7983 20.9512 21.4078 21.4409 k = 0.3963 0.2288 0.5427 ( 885 PWs) bands (ev): -52.4630 -52.4630 -25.4533 -25.4273 -17.0345 -16.9055 -16.7995 -16.7622 0.3580 0.6908 9.1260 9.1450 10.5646 10.9556 11.0907 11.1724 14.2588 14.3375 17.2311 17.4691 17.7173 17.7334 20.7746 20.9335 21.3927 21.4198 k = 0.3933 0.2271 0.5526 ( 884 PWs) bands (ev): -52.4628 -52.4628 -25.4539 -25.4279 -17.0355 -16.9060 -16.8025 -16.7646 0.3662 0.6993 9.0945 9.1131 10.6092 11.0035 11.1243 11.2058 14.2021 14.2788 17.2478 17.4798 17.7121 17.7292 20.7503 20.9126 21.3744 21.3977 k = 0.3902 0.2253 0.5626 ( 886 PWs) bands (ev): -52.4627 -52.4627 -25.4546 -25.4286 -17.0366 -16.9070 -16.8047 -16.7668 0.3739 0.7067 9.0632 9.0814 10.6526 11.0480 11.1581 11.2378 14.1519 14.2263 17.2670 17.4895 17.7054 17.7264 20.7259 20.8884 21.3531 21.3752 k = 0.3872 0.2235 0.5725 ( 886 PWs) bands (ev): -52.4625 -52.4625 -25.4551 -25.4293 -17.0374 -16.9085 -16.8062 -16.7686 0.3811 0.7129 9.0320 9.0498 10.6944 11.0883 11.1924 11.2684 14.1087 14.1803 17.2887 17.4966 17.6974 17.7268 20.7017 20.8612 21.3289 21.3526 k = 0.3841 0.2218 0.5825 ( 886 PWs) bands (ev): -52.4624 -52.4624 -25.4556 -25.4298 -17.0382 -16.9104 -16.8071 -16.7702 0.3877 0.7180 9.0011 9.0185 10.7344 11.1238 11.2269 11.2973 14.0730 14.1411 17.3124 17.4991 17.6885 17.7325 20.6781 20.8312 21.3022 21.3306 k = 0.3811 0.2200 0.5925 ( 886 PWs) bands (ev): -52.4623 -52.4623 -25.4560 -25.4304 -17.0387 -16.9127 -16.8072 -16.7714 0.3937 0.7219 8.9705 8.9875 10.7720 11.1545 11.2612 11.3243 14.0450 14.1091 17.3375 17.4957 17.6794 17.7448 20.6552 20.7985 21.2733 21.3093 k = 0.3780 0.2183 0.6024 ( 890 PWs) bands (ev): -52.4623 -52.4623 -25.4563 -25.4309 -17.0393 -16.9154 -16.8069 -16.7724 0.3991 0.7245 8.9401 8.9567 10.8069 11.1807 11.2943 11.3493 14.0249 14.0842 17.3630 17.4858 17.6711 17.7644 20.6334 20.7634 21.2426 21.2893 k = 0.3750 0.2165 0.6124 ( 890 PWs) bands (ev): -52.4622 -52.4622 -25.4565 -25.4314 -17.0395 -16.9181 -16.8059 -16.7730 0.4038 0.7260 8.9100 8.9262 10.8390 11.2029 11.3251 11.3721 14.0130 14.0667 17.3876 17.4704 17.6655 17.7908 20.6128 20.7263 21.2104 21.2707 k = 0.6250-0.0722 0.4082 ( 890 PWs) bands (ev): -52.4622 -52.4622 -25.4565 -25.4314 -17.0395 -16.9181 -16.8059 -16.7730 0.4038 0.7260 8.9100 8.9262 10.8390 11.2029 11.3251 11.3721 14.0130 14.0667 17.3876 17.4704 17.6655 17.7908 20.6128 20.7263 21.2104 21.2707 k = 0.6198-0.0812 0.4082 ( 890 PWs) bands (ev): -52.4621 -52.4621 -25.4566 -25.4320 -17.0397 -16.9230 -16.8037 -16.7738 0.4113 0.7269 8.8590 8.8747 10.8902 11.2362 11.3749 11.4089 14.0031 14.0460 17.4204 17.4365 17.6677 17.8455 20.5765 20.6615 21.1544 21.2376 k = 0.6146-0.0902 0.4082 ( 886 PWs) bands (ev): -52.4620 -52.4620 -25.4566 -25.4325 -17.0396 -16.9279 -16.8012 -16.7742 0.4185 0.7270 8.8084 8.8237 10.9393 11.2670 11.4230 11.4449 13.9996 14.0310 17.3997 17.4367 17.6891 17.9058 20.5366 20.5972 21.0979 21.1988 k = 0.6094-0.0992 0.4082 ( 886 PWs) bands (ev): -52.4619 -52.4619 -25.4566 -25.4332 -17.0396 -16.9329 -16.7987 -16.7745 0.4256 0.7260 8.7585 8.7734 10.9863 11.2958 11.4685 11.4802 14.0020 14.0212 17.3632 17.4390 17.7274 17.9686 20.4929 20.5333 21.0406 21.1541 k = 0.6042-0.1083 0.4082 ( 894 PWs) bands (ev): -52.4619 -52.4619 -25.4567 -25.4340 -17.0396 -16.9380 -16.7961 -16.7747 0.4326 0.7242 8.7094 8.7239 11.0311 11.3226 11.5114 11.5144 14.0096 14.0161 17.3287 17.4336 17.7765 18.0326 20.4459 20.4700 20.9822 21.1036 k = 0.5990-0.1173 0.4082 ( 894 PWs) bands (ev): -52.4619 -52.4619 -25.4565 -25.4346 -17.0393 -16.9430 -16.7934 -16.7745 0.4394 0.7216 8.6615 8.6755 11.0740 11.3479 11.5477 11.5516 14.0151 14.0215 17.2974 17.4258 17.8317 18.0971 20.3960 20.4074 20.9227 21.0477 k = 0.5938-0.1263 0.4082 ( 890 PWs) bands (ev): -52.4618 -52.4618 -25.4562 -25.4351 -17.0390 -16.9480 -16.7904 -16.7741 0.4462 0.7183 8.6147 8.6285 11.1148 11.3716 11.5799 11.5892 14.0179 14.0370 17.2703 17.4185 17.8901 18.1617 20.3437 20.3456 20.8620 20.9866 k = 0.5885-0.1353 0.4082 ( 886 PWs) bands (ev): -52.4617 -52.4617 -25.4559 -25.4356 -17.0385 -16.9528 -16.7875 -16.7735 0.4530 0.7142 8.5695 8.5828 11.1537 11.3938 11.6110 11.6243 14.0236 14.0551 17.2480 17.4134 17.9501 18.2257 20.2848 20.2892 20.8000 20.9208 k = 0.5833-0.1443 0.4082 ( 892 PWs) bands (ev): -52.4617 -52.4617 -25.4557 -25.4364 -17.0381 -16.9577 -16.7849 -16.7730 0.4598 0.7094 8.5258 8.5388 11.1905 11.4142 11.6407 11.6567 14.0317 14.0750 17.2308 17.4114 18.0107 18.2889 20.2249 20.2328 20.7368 20.8504 k = 0.5781-0.1534 0.4082 ( 888 PWs) bands (ev): -52.4617 -52.4617 -25.4553 -25.4369 -17.0375 -16.9624 -16.7821 -16.7721 0.4666 0.7040 8.4840 8.4966 11.2255 11.4333 11.6692 11.6870 14.0418 14.0957 17.2195 17.4131 18.0716 18.3511 20.1664 20.1752 20.6726 20.7761 k = 0.5729-0.1624 0.4082 ( 888 PWs) bands (ev): -52.4617 -52.4617 -25.4549 -25.4375 -17.0369 -16.9670 -16.7794 -16.7712 0.4734 0.6980 8.4442 8.4563 11.2585 11.4506 11.6962 11.7151 14.0533 14.1164 17.2142 17.4186 18.1321 18.4119 20.1092 20.1165 20.6076 20.6985 k = 0.5677-0.1714 0.4082 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4545 -25.4381 -17.0361 -16.9715 -16.7769 -16.7702 0.4804 0.6915 8.4065 8.4180 11.2898 11.4664 11.7219 11.7410 14.0657 14.1364 17.2150 17.4279 18.1921 18.4710 20.0538 20.0575 20.5421 20.6181 k = 0.5625-0.1804 0.4082 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4540 -25.4387 -17.0353 -16.9759 -16.7745 -16.7692 0.4874 0.6845 8.3710 8.3820 11.3191 11.4805 11.7460 11.7650 14.0787 14.1551 17.2220 17.4407 18.2513 18.5280 19.9987 20.0005 20.4764 20.5357 k = 0.5573-0.1894 0.4082 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4535 -25.4393 -17.0344 -16.9801 -16.7722 -16.7681 0.4945 0.6771 8.3380 8.3484 11.3466 11.4932 11.7686 11.7871 14.0919 14.1720 17.2351 17.4567 18.3095 18.5823 19.9407 19.9498 20.4110 20.4520 k = 0.5521-0.1985 0.4082 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4529 -25.4399 -17.0334 -16.9842 -16.7701 -16.7670 0.5017 0.6693 8.3075 8.3172 11.3723 11.5042 11.7896 11.8073 14.1050 14.1867 17.2540 17.4752 18.3664 18.6335 19.8845 19.9020 20.3460 20.3678 k = 0.5469-0.2075 0.4082 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4523 -25.4406 -17.0322 -16.9882 -16.7682 -16.7659 0.5091 0.6613 8.2797 8.2887 11.3961 11.5137 11.8090 11.8255 14.1179 14.1989 17.2780 17.4954 18.4217 18.6807 19.8309 19.8580 20.2820 20.2840 k = 0.5417-0.2165 0.4082 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4517 -25.4412 -17.0310 -16.9919 -16.7665 -16.7648 0.5166 0.6529 8.2546 8.2627 11.4181 11.5217 11.8266 11.8419 14.1304 14.2086 17.3067 17.5163 18.4752 18.7232 19.7813 19.8186 20.2016 20.2193 k = 0.5365-0.2255 0.4082 ( 884 PWs) bands (ev): -52.4616 -52.4616 -25.4510 -25.4417 -17.0295 -16.9954 -16.7649 -16.7638 0.5243 0.6444 8.2324 8.2397 11.4382 11.5281 11.8426 11.8563 14.1424 14.2158 17.3390 17.5368 18.5267 18.7600 19.7368 19.7846 20.1217 20.1583 k = 0.5312-0.2345 0.4082 ( 884 PWs) bands (ev): -52.4616 -52.4616 -25.4504 -25.4424 -17.0280 -16.9989 -16.7636 -16.7628 0.5321 0.6357 8.2130 8.2194 11.4565 11.5329 11.8567 11.8687 14.1537 14.2204 17.3738 17.5555 18.5756 18.7900 19.6988 19.7570 20.0455 20.0994 k = 0.5260-0.2436 0.4082 ( 894 PWs) bands (ev): -52.4616 -52.4616 -25.4500 -25.4433 -17.0266 -17.0024 -16.7626 -16.7622 0.5401 0.6269 8.1965 8.2019 11.4728 11.5360 11.8689 11.8791 14.1644 14.2227 17.4099 17.5708 18.6217 18.8122 19.6686 19.7362 19.9745 20.0429 k = 0.5208-0.2526 0.4082 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4492 -25.4438 -17.0248 -17.0054 -16.7616 -16.7614 0.5483 0.6180 8.1832 8.1876 11.4874 11.5376 11.8793 11.8876 14.1745 14.2229 17.4462 17.5819 18.6647 18.8259 19.6478 19.7226 19.9110 19.9899 k = 0.5156-0.2616 0.4082 ( 888 PWs) bands (ev): -52.4616 -52.4616 -25.4485 -25.4444 -17.0229 -17.0084 -16.7609 -16.7608 0.5566 0.6091 8.1729 8.1762 11.5000 11.5375 11.8876 11.8939 14.1840 14.2213 17.4810 17.5872 18.7040 18.8307 19.6371 19.7139 19.8587 19.9407 k = 0.5104-0.2706 0.4082 ( 890 PWs) bands (ev): -52.4616 -52.4616 -25.4478 -25.4451 -17.0209 -17.0113 -16.7603 -16.7603 0.5651 0.6002 8.1656 8.1678 11.5109 11.5357 11.8939 11.8982 14.1926 14.2181 17.5128 17.5859 18.7393 18.8267 19.6369 19.7041 19.8246 19.8964 k = 0.5052-0.2797 0.4082 ( 894 PWs) bands (ev): -52.4616 -52.4616 -25.4473 -25.4459 -17.0188 -17.0140 -16.7601 -16.7601 0.5737 0.5913 8.1614 8.1626 11.5197 11.5321 11.8981 11.9003 14.2005 14.2133 17.5403 17.5775 18.7699 18.8146 19.6467 19.6867 19.8162 19.8588 k = 0.5000-0.2887 0.4082 ( 894 PWs) bands (ev): -52.4616 -52.4616 -25.4466 -25.4466 -17.0165 -17.0165 -16.7601 -16.7601 0.5825 0.5825 8.1604 8.1604 11.5268 11.5268 11.9002 11.9002 14.2074 14.2074 17.5621 17.5621 18.7953 18.7953 19.6649 19.6649 19.8303 19.8303 Writing output data file TaN.save init_run : 2.95s CPU 13.05s WALL ( 1 calls) electrons : 122.62s CPU 126.19s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.19s CPU 1.29s WALL ( 1 calls) Called by electrons: c_bands : 122.59s CPU 125.94s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.83s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.04s CPU 0.39s WALL ( 1 calls) newd : 0.34s CPU 0.41s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 441 calls) cegterg : 89.50s CPU 89.89s WALL ( 484 calls) Called by sum_band: Called by *egterg: h_psi : 45.01s CPU 48.07s WALL ( 7669 calls) s_psi : 2.37s CPU 3.14s WALL ( 7669 calls) g_psi : 0.02s CPU 0.09s WALL ( 6744 calls) cdiaghg : 31.09s CPU 30.36s WALL ( 7185 calls) cegterg:over : 8.63s CPU 6.82s WALL ( 6744 calls) cegterg:upda : 0.14s CPU 0.73s WALL ( 6744 calls) cegterg:last : 0.19s CPU 0.59s WALL ( 1578 calls) Called by h_psi: h_psi:vloc : 38.53s CPU 41.75s WALL ( 7669 calls) h_psi:vnl : 6.46s CPU 6.25s WALL ( 7669 calls) add_vuspsi : 0.73s CPU 2.07s WALL ( 7669 calls) General routines calbec : 5.72s CPU 4.15s WALL ( 7669 calls) fft : 0.14s CPU 1.06s WALL ( 19 calls) ffts : 0.01s CPU 0.04s WALL ( 4 calls) fftw : 37.14s CPU 40.00s WALL ( 509064 calls) interpolate : 0.02s CPU 0.06s WALL ( 4 calls) davcio : 0.03s CPU 1.23s WALL ( 882 calls) Parallel routines fft_scatter : 26.78s CPU 28.70s WALL ( 509087 calls) PWSCF : 2m31.88s CPU 3m58.47s WALL This run was terminated on: 13:13: 2 26Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=