Program PWSCF v.5.1.1 starts on 27Aug2015 at 18:40:38 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: ./ScN.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 24 12 3 543 189 32 Max 25 13 4 547 203 37 Sum 1159 583 187 26133 9409 1639 bravais-lattice index = 14 lattice parameter (alat) = 6.4674 a.u. unit-cell volume = 191.2813 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.467392 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 Sc read from file: /home/autes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 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 Sc 11.00 44.95590 Sc( 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= 429 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023310 k( 2) = ( 0.0076923 -0.0044412 0.0062807), wk = 0.0023310 k( 3) = ( 0.0153846 -0.0088823 0.0125615), wk = 0.0023310 k( 4) = ( 0.0230769 -0.0133235 0.0188422), wk = 0.0023310 k( 5) = ( 0.0307692 -0.0177646 0.0251230), wk = 0.0023310 k( 6) = ( 0.0384615 -0.0222058 0.0314037), wk = 0.0023310 k( 7) = ( 0.0461539 -0.0266469 0.0376845), wk = 0.0023310 k( 8) = ( 0.0538462 -0.0310881 0.0439652), wk = 0.0023310 k( 9) = ( 0.0615385 -0.0355292 0.0502459), wk = 0.0023310 k( 10) = ( 0.0692308 -0.0399704 0.0565267), wk = 0.0023310 k( 11) = ( 0.0769231 -0.0444116 0.0628074), wk = 0.0023310 k( 12) = ( 0.0846154 -0.0488527 0.0690882), wk = 0.0023310 k( 13) = ( 0.0923077 -0.0532939 0.0753689), wk = 0.0023310 k( 14) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0023310 k( 15) = ( 0.1076923 -0.0621762 0.0879304), wk = 0.0023310 k( 16) = ( 0.1153846 -0.0666173 0.0942111), wk = 0.0023310 k( 17) = ( 0.1230769 -0.0710585 0.1004919), wk = 0.0023310 k( 18) = ( 0.1307692 -0.0754997 0.1067726), wk = 0.0023310 k( 19) = ( 0.1384615 -0.0799408 0.1130534), wk = 0.0023310 k( 20) = ( 0.1461539 -0.0843820 0.1193341), wk = 0.0023310 k( 21) = ( 0.1538461 -0.0888231 0.1256149), wk = 0.0023310 k( 22) = ( 0.1615385 -0.0932643 0.1318956), wk = 0.0023310 k( 23) = ( 0.1692308 -0.0977054 0.1381763), wk = 0.0023310 k( 24) = ( 0.1769231 -0.1021466 0.1444571), wk = 0.0023310 k( 25) = ( 0.1846154 -0.1065877 0.1507378), wk = 0.0023310 k( 26) = ( 0.1923077 -0.1110289 0.1570186), wk = 0.0023310 k( 27) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0023310 k( 28) = ( 0.2076923 -0.1199112 0.1695801), wk = 0.0023310 k( 29) = ( 0.2153846 -0.1243524 0.1758608), wk = 0.0023310 k( 30) = ( 0.2230769 -0.1287935 0.1821415), wk = 0.0023310 k( 31) = ( 0.2307692 -0.1332347 0.1884223), wk = 0.0023310 k( 32) = ( 0.2384615 -0.1376758 0.1947030), wk = 0.0023310 k( 33) = ( 0.2461539 -0.1421170 0.2009838), wk = 0.0023310 k( 34) = ( 0.2538461 -0.1465581 0.2072645), wk = 0.0023310 k( 35) = ( 0.2615385 -0.1509993 0.2135453), wk = 0.0023310 k( 36) = ( 0.2692308 -0.1554405 0.2198260), wk = 0.0023310 k( 37) = ( 0.2769231 -0.1598816 0.2261067), wk = 0.0023310 k( 38) = ( 0.2846154 -0.1643228 0.2323875), wk = 0.0023310 k( 39) = ( 0.2923077 -0.1687639 0.2386682), wk = 0.0023310 k( 40) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0023310 k( 41) = ( 0.3076923 -0.1776462 0.2512297), wk = 0.0023310 k( 42) = ( 0.3153846 -0.1820874 0.2575105), wk = 0.0023310 k( 43) = ( 0.3230769 -0.1865285 0.2637912), wk = 0.0023310 k( 44) = ( 0.3307692 -0.1909697 0.2700719), wk = 0.0023310 k( 45) = ( 0.3384615 -0.1954109 0.2763527), wk = 0.0023310 k( 46) = ( 0.3461538 -0.1998520 0.2826334), wk = 0.0023310 k( 47) = ( 0.3538462 -0.2042932 0.2889142), wk = 0.0023310 k( 48) = ( 0.3615385 -0.2087343 0.2951949), wk = 0.0023310 k( 49) = ( 0.3692308 -0.2131755 0.3014757), wk = 0.0023310 k( 50) = ( 0.3769231 -0.2176166 0.3077564), wk = 0.0023310 k( 51) = ( 0.3846154 -0.2220578 0.3140371), wk = 0.0023310 k( 52) = ( 0.3923077 -0.2264990 0.3203179), wk = 0.0023310 k( 53) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0023310 k( 54) = ( 0.4076923 -0.2353813 0.3328794), wk = 0.0023310 k( 55) = ( 0.4153846 -0.2398224 0.3391601), wk = 0.0023310 k( 56) = ( 0.4230769 -0.2442636 0.3454409), wk = 0.0023310 k( 57) = ( 0.4307692 -0.2487047 0.3517216), wk = 0.0023310 k( 58) = ( 0.4384615 -0.2531459 0.3580023), wk = 0.0023310 k( 59) = ( 0.4461539 -0.2575870 0.3642831), wk = 0.0023310 k( 60) = ( 0.4538462 -0.2620282 0.3705638), wk = 0.0023310 k( 61) = ( 0.4615385 -0.2664694 0.3768446), wk = 0.0023310 k( 62) = ( 0.4692308 -0.2709105 0.3831253), wk = 0.0023310 k( 63) = ( 0.4769231 -0.2753517 0.3894061), wk = 0.0023310 k( 64) = ( 0.4846154 -0.2797928 0.3956868), wk = 0.0023310 k( 65) = ( 0.4923077 -0.2842340 0.4019675), wk = 0.0023310 k( 66) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0023310 k( 67) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0023310 k( 68) = ( 0.5000000 -0.2799274 0.4144339), wk = 0.0023310 k( 69) = ( 0.5000000 -0.2711797 0.4206195), wk = 0.0023310 k( 70) = ( 0.5000000 -0.2624319 0.4268050), wk = 0.0023310 k( 71) = ( 0.5000000 -0.2536842 0.4329906), wk = 0.0023310 k( 72) = ( 0.5000000 -0.2449365 0.4391762), wk = 0.0023310 k( 73) = ( 0.5000000 -0.2361887 0.4453618), wk = 0.0023310 k( 74) = ( 0.5000000 -0.2274410 0.4515473), wk = 0.0023310 k( 75) = ( 0.5000000 -0.2186933 0.4577329), wk = 0.0023310 k( 76) = ( 0.5000000 -0.2099456 0.4639185), wk = 0.0023310 k( 77) = ( 0.5000000 -0.2011978 0.4701041), wk = 0.0023310 k( 78) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0023310 k( 79) = ( 0.5000000 -0.1837024 0.4824753), wk = 0.0023310 k( 80) = ( 0.5000000 -0.1749546 0.4886608), wk = 0.0023310 k( 81) = ( 0.5000000 -0.1662069 0.4948464), wk = 0.0023310 k( 82) = ( 0.5000000 -0.1574592 0.5010320), wk = 0.0023310 k( 83) = ( 0.5000000 -0.1487114 0.5072176), wk = 0.0023310 k( 84) = ( 0.5000000 -0.1399637 0.5134032), wk = 0.0023310 k( 85) = ( 0.5000000 -0.1312160 0.5195887), wk = 0.0023310 k( 86) = ( 0.5000000 -0.1224682 0.5257743), wk = 0.0023310 k( 87) = ( 0.5000000 -0.1137205 0.5319599), wk = 0.0023310 k( 88) = ( 0.5000000 -0.1049728 0.5381455), wk = 0.0023310 k( 89) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0023310 k( 90) = ( 0.5000000 -0.0874773 0.5505166), wk = 0.0023310 k( 91) = ( 0.5000000 -0.0787296 0.5567022), wk = 0.0023310 k( 92) = ( 0.5000000 -0.0699819 0.5628878), wk = 0.0023310 k( 93) = ( 0.5000000 -0.0612341 0.5690734), wk = 0.0023310 k( 94) = ( 0.5000000 -0.0524864 0.5752590), wk = 0.0023310 k( 95) = ( 0.5000000 -0.0437387 0.5814445), wk = 0.0023310 k( 96) = ( 0.5000000 -0.0349909 0.5876301), wk = 0.0023310 k( 97) = ( 0.5000000 -0.0262432 0.5938157), wk = 0.0023310 k( 98) = ( 0.5000000 -0.0174955 0.6000013), wk = 0.0023310 k( 99) = ( 0.5000000 -0.0087477 0.6061869), wk = 0.0023310 k( 100) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0023310 k( 101) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0023310 k( 102) = ( 0.4945652 0.0094133 0.6123724), wk = 0.0023310 k( 103) = ( 0.4891304 0.0188266 0.6123724), wk = 0.0023310 k( 104) = ( 0.4836956 0.0282400 0.6123724), wk = 0.0023310 k( 105) = ( 0.4782609 0.0376533 0.6123724), wk = 0.0023310 k( 106) = ( 0.4728261 0.0470666 0.6123724), wk = 0.0023310 k( 107) = ( 0.4673913 0.0564799 0.6123724), wk = 0.0023310 k( 108) = ( 0.4619565 0.0658932 0.6123724), wk = 0.0023310 k( 109) = ( 0.4565217 0.0753066 0.6123724), wk = 0.0023310 k( 110) = ( 0.4510870 0.0847199 0.6123724), wk = 0.0023310 k( 111) = ( 0.4456522 0.0941332 0.6123724), wk = 0.0023310 k( 112) = ( 0.4402174 0.1035465 0.6123724), wk = 0.0023310 k( 113) = ( 0.4347826 0.1129598 0.6123724), wk = 0.0023310 k( 114) = ( 0.4293478 0.1223731 0.6123724), wk = 0.0023310 k( 115) = ( 0.4239130 0.1317865 0.6123724), wk = 0.0023310 k( 116) = ( 0.4184783 0.1411998 0.6123724), wk = 0.0023310 k( 117) = ( 0.4130435 0.1506131 0.6123724), wk = 0.0023310 k( 118) = ( 0.4076087 0.1600264 0.6123724), wk = 0.0023310 k( 119) = ( 0.4021739 0.1694398 0.6123724), wk = 0.0023310 k( 120) = ( 0.3967391 0.1788531 0.6123724), wk = 0.0023310 k( 121) = ( 0.3913044 0.1882664 0.6123724), wk = 0.0023310 k( 122) = ( 0.3858696 0.1976797 0.6123724), wk = 0.0023310 k( 123) = ( 0.3804348 0.2070930 0.6123724), wk = 0.0023310 k( 124) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0023310 k( 125) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0023310 k( 126) = ( 0.3695652 0.2133686 0.6034975), wk = 0.0023310 k( 127) = ( 0.3641304 0.2102308 0.5946225), wk = 0.0023310 k( 128) = ( 0.3586956 0.2070930 0.5857475), wk = 0.0023310 k( 129) = ( 0.3532609 0.2039553 0.5768726), wk = 0.0023310 k( 130) = ( 0.3478261 0.2008175 0.5679976), wk = 0.0023310 k( 131) = ( 0.3423913 0.1976797 0.5591227), wk = 0.0023310 k( 132) = ( 0.3369565 0.1945419 0.5502477), wk = 0.0023310 k( 133) = ( 0.3315217 0.1914042 0.5413727), wk = 0.0023310 k( 134) = ( 0.3260870 0.1882664 0.5324978), wk = 0.0023310 k( 135) = ( 0.3206522 0.1851286 0.5236228), wk = 0.0023310 k( 136) = ( 0.3152174 0.1819908 0.5147478), wk = 0.0023310 k( 137) = ( 0.3097826 0.1788531 0.5058729), wk = 0.0023310 k( 138) = ( 0.3043478 0.1757153 0.4969979), wk = 0.0023310 k( 139) = ( 0.2989130 0.1725775 0.4881230), wk = 0.0023310 k( 140) = ( 0.2934783 0.1694398 0.4792480), wk = 0.0023310 k( 141) = ( 0.2880435 0.1663020 0.4703730), wk = 0.0023310 k( 142) = ( 0.2826087 0.1631642 0.4614981), wk = 0.0023310 k( 143) = ( 0.2771739 0.1600264 0.4526231), wk = 0.0023310 k( 144) = ( 0.2717391 0.1568887 0.4437481), wk = 0.0023310 k( 145) = ( 0.2663044 0.1537509 0.4348732), wk = 0.0023310 k( 146) = ( 0.2608696 0.1506131 0.4259982), wk = 0.0023310 k( 147) = ( 0.2554348 0.1474753 0.4171233), wk = 0.0023310 k( 148) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0023310 k( 149) = ( 0.2445652 0.1411998 0.3993733), wk = 0.0023310 k( 150) = ( 0.2391304 0.1380620 0.3904984), wk = 0.0023310 k( 151) = ( 0.2336957 0.1349242 0.3816234), wk = 0.0023310 k( 152) = ( 0.2282609 0.1317865 0.3727484), wk = 0.0023310 k( 153) = ( 0.2228261 0.1286487 0.3638735), wk = 0.0023310 k( 154) = ( 0.2173913 0.1255109 0.3549985), wk = 0.0023310 k( 155) = ( 0.2119565 0.1223732 0.3461235), wk = 0.0023310 k( 156) = ( 0.2065217 0.1192354 0.3372486), wk = 0.0023310 k( 157) = ( 0.2010870 0.1160976 0.3283736), wk = 0.0023310 k( 158) = ( 0.1956522 0.1129598 0.3194987), wk = 0.0023310 k( 159) = ( 0.1902174 0.1098221 0.3106237), wk = 0.0023310 k( 160) = ( 0.1847826 0.1066843 0.3017487), wk = 0.0023310 k( 161) = ( 0.1793478 0.1035465 0.2928738), wk = 0.0023310 k( 162) = ( 0.1739130 0.1004087 0.2839988), wk = 0.0023310 k( 163) = ( 0.1684783 0.0972710 0.2751238), wk = 0.0023310 k( 164) = ( 0.1630435 0.0941332 0.2662489), wk = 0.0023310 k( 165) = ( 0.1576087 0.0909954 0.2573739), wk = 0.0023310 k( 166) = ( 0.1521739 0.0878576 0.2484990), wk = 0.0023310 k( 167) = ( 0.1467391 0.0847199 0.2396240), wk = 0.0023310 k( 168) = ( 0.1413043 0.0815821 0.2307490), wk = 0.0023310 k( 169) = ( 0.1358696 0.0784443 0.2218741), wk = 0.0023310 k( 170) = ( 0.1304348 0.0753066 0.2129991), wk = 0.0023310 k( 171) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0023310 k( 172) = ( 0.1195652 0.0690310 0.1952492), wk = 0.0023310 k( 173) = ( 0.1141304 0.0658932 0.1863742), wk = 0.0023310 k( 174) = ( 0.1086957 0.0627555 0.1774993), wk = 0.0023310 k( 175) = ( 0.1032609 0.0596177 0.1686243), wk = 0.0023310 k( 176) = ( 0.0978261 0.0564799 0.1597493), wk = 0.0023310 k( 177) = ( 0.0923913 0.0533421 0.1508744), wk = 0.0023310 k( 178) = ( 0.0869565 0.0502044 0.1419994), wk = 0.0023310 k( 179) = ( 0.0815217 0.0470666 0.1331244), wk = 0.0023310 k( 180) = ( 0.0760870 0.0439288 0.1242495), wk = 0.0023310 k( 181) = ( 0.0706522 0.0407910 0.1153745), wk = 0.0023310 k( 182) = ( 0.0652174 0.0376533 0.1064996), wk = 0.0023310 k( 183) = ( 0.0597826 0.0345155 0.0976246), wk = 0.0023310 k( 184) = ( 0.0543478 0.0313777 0.0887496), wk = 0.0023310 k( 185) = ( 0.0489130 0.0282400 0.0798747), wk = 0.0023310 k( 186) = ( 0.0434783 0.0251022 0.0709997), wk = 0.0023310 k( 187) = ( 0.0380435 0.0219644 0.0621247), wk = 0.0023310 k( 188) = ( 0.0326087 0.0188266 0.0532498), wk = 0.0023310 k( 189) = ( 0.0271739 0.0156889 0.0443748), wk = 0.0023310 k( 190) = ( 0.0217391 0.0125511 0.0354999), wk = 0.0023310 k( 191) = ( 0.0163043 0.0094133 0.0266249), wk = 0.0023310 k( 192) = ( 0.0108696 0.0062755 0.0177499), wk = 0.0023310 k( 193) = ( 0.0054348 0.0031378 0.0088750), wk = 0.0023310 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023310 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023310 k( 196) = ( 0.0087719 0.0050645 0.0035811), wk = 0.0023310 k( 197) = ( 0.0175439 0.0101290 0.0071623), wk = 0.0023310 k( 198) = ( 0.0263158 0.0151934 0.0107434), wk = 0.0023310 k( 199) = ( 0.0350877 0.0202579 0.0143245), wk = 0.0023310 k( 200) = ( 0.0438597 0.0253224 0.0179056), wk = 0.0023310 k( 201) = ( 0.0526316 0.0303869 0.0214868), wk = 0.0023310 k( 202) = ( 0.0614035 0.0354513 0.0250679), wk = 0.0023310 k( 203) = ( 0.0701754 0.0405158 0.0286490), wk = 0.0023310 k( 204) = ( 0.0789474 0.0455803 0.0322301), wk = 0.0023310 k( 205) = ( 0.0877193 0.0506448 0.0358113), wk = 0.0023310 k( 206) = ( 0.0964912 0.0557092 0.0393924), wk = 0.0023310 k( 207) = ( 0.1052632 0.0607737 0.0429735), wk = 0.0023310 k( 208) = ( 0.1140351 0.0658382 0.0465546), wk = 0.0023310 k( 209) = ( 0.1228070 0.0709027 0.0501358), wk = 0.0023310 k( 210) = ( 0.1315790 0.0759671 0.0537169), wk = 0.0023310 k( 211) = ( 0.1403509 0.0810316 0.0572980), wk = 0.0023310 k( 212) = ( 0.1491228 0.0860961 0.0608791), wk = 0.0023310 k( 213) = ( 0.1578947 0.0911606 0.0644603), wk = 0.0023310 k( 214) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0023310 k( 215) = ( 0.1754386 0.1012895 0.0716225), wk = 0.0023310 k( 216) = ( 0.1842105 0.1063540 0.0752036), wk = 0.0023310 k( 217) = ( 0.1929825 0.1114185 0.0787848), wk = 0.0023310 k( 218) = ( 0.2017544 0.1164830 0.0823659), wk = 0.0023310 k( 219) = ( 0.2105263 0.1215474 0.0859470), wk = 0.0023310 k( 220) = ( 0.2192983 0.1266119 0.0895281), wk = 0.0023310 k( 221) = ( 0.2280702 0.1316764 0.0931093), wk = 0.0023310 k( 222) = ( 0.2368421 0.1367409 0.0966904), wk = 0.0023310 k( 223) = ( 0.2456140 0.1418053 0.1002715), wk = 0.0023310 k( 224) = ( 0.2543860 0.1468698 0.1038526), wk = 0.0023310 k( 225) = ( 0.2631579 0.1519343 0.1074338), wk = 0.0023310 k( 226) = ( 0.2719298 0.1569988 0.1110149), wk = 0.0023310 k( 227) = ( 0.2807018 0.1620632 0.1145960), wk = 0.0023310 k( 228) = ( 0.2894737 0.1671277 0.1181771), wk = 0.0023310 k( 229) = ( 0.2982456 0.1721922 0.1217583), wk = 0.0023310 k( 230) = ( 0.3070175 0.1772567 0.1253394), wk = 0.0023310 k( 231) = ( 0.3157895 0.1823211 0.1289205), wk = 0.0023310 k( 232) = ( 0.3245614 0.1873856 0.1325016), wk = 0.0023310 k( 233) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0023310 k( 234) = ( 0.3421053 0.1975146 0.1396639), wk = 0.0023310 k( 235) = ( 0.3508772 0.2025790 0.1432450), wk = 0.0023310 k( 236) = ( 0.3596491 0.2076435 0.1468261), wk = 0.0023310 k( 237) = ( 0.3684211 0.2127080 0.1504073), wk = 0.0023310 k( 238) = ( 0.3771930 0.2177725 0.1539884), wk = 0.0023310 k( 239) = ( 0.3859649 0.2228369 0.1575695), wk = 0.0023310 k( 240) = ( 0.3947368 0.2279014 0.1611506), wk = 0.0023310 k( 241) = ( 0.4035088 0.2329659 0.1647318), wk = 0.0023310 k( 242) = ( 0.4122807 0.2380304 0.1683129), wk = 0.0023310 k( 243) = ( 0.4210526 0.2430948 0.1718940), wk = 0.0023310 k( 244) = ( 0.4298246 0.2481593 0.1754751), wk = 0.0023310 k( 245) = ( 0.4385965 0.2532238 0.1790563), wk = 0.0023310 k( 246) = ( 0.4473684 0.2582883 0.1826374), wk = 0.0023310 k( 247) = ( 0.4561404 0.2633528 0.1862185), wk = 0.0023310 k( 248) = ( 0.4649123 0.2684172 0.1897996), wk = 0.0023310 k( 249) = ( 0.4736842 0.2734817 0.1933808), wk = 0.0023310 k( 250) = ( 0.4824561 0.2785462 0.1969619), wk = 0.0023310 k( 251) = ( 0.4912281 0.2836107 0.2005430), wk = 0.0023310 k( 252) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0023310 k( 253) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0023310 k( 254) = ( 0.5031250 0.2796540 0.2092272), wk = 0.0023310 k( 255) = ( 0.5062500 0.2706329 0.2143304), wk = 0.0023310 k( 256) = ( 0.5093750 0.2616118 0.2194335), wk = 0.0023310 k( 257) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0023310 k( 258) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0023310 k( 259) = ( 0.5187500 0.2345485 0.2347428), wk = 0.0023310 k( 260) = ( 0.5218750 0.2255274 0.2398459), wk = 0.0023310 k( 261) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0023310 k( 262) = ( 0.5281250 0.2074853 0.2500521), wk = 0.0023310 k( 263) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0023310 k( 264) = ( 0.5343750 0.1894431 0.2602583), wk = 0.0023310 k( 265) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0023310 k( 266) = ( 0.5406250 0.1714009 0.2704645), wk = 0.0023310 k( 267) = ( 0.5437500 0.1623798 0.2755676), wk = 0.0023310 k( 268) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0023310 k( 269) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0023310 k( 270) = ( 0.5531250 0.1353165 0.2908769), wk = 0.0023310 k( 271) = ( 0.5562500 0.1262954 0.2959800), wk = 0.0023310 k( 272) = ( 0.5593750 0.1172743 0.3010831), wk = 0.0023310 k( 273) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0023310 k( 274) = ( 0.5656250 0.0992321 0.3112893), wk = 0.0023310 k( 275) = ( 0.5687500 0.0902110 0.3163924), wk = 0.0023310 k( 276) = ( 0.5718750 0.0811899 0.3214955), wk = 0.0023310 k( 277) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0023310 k( 278) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0023310 k( 279) = ( 0.5812500 0.0541266 0.3368048), wk = 0.0023310 k( 280) = ( 0.5843750 0.0451055 0.3419079), wk = 0.0023310 k( 281) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0023310 k( 282) = ( 0.5906250 0.0270633 0.3521142), wk = 0.0023310 k( 283) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0023310 k( 284) = ( 0.5968750 0.0090211 0.3623204), wk = 0.0023310 k( 285) = ( 0.6000000 0.0000000 0.3674235), wk = 0.0023310 k( 286) = ( 0.6031250 -0.0090211 0.3725266), wk = 0.0023310 k( 287) = ( 0.6062500 -0.0180422 0.3776297), wk = 0.0023310 k( 288) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0023310 k( 289) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0023310 k( 290) = ( 0.6156250 -0.0451055 0.3929390), wk = 0.0023310 k( 291) = ( 0.6187500 -0.0541266 0.3980421), wk = 0.0023310 k( 292) = ( 0.6218750 -0.0631477 0.4031452), wk = 0.0023310 k( 293) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0023310 k( 294) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0023310 k( 295) = ( 0.6195652 -0.0690310 0.4171232), wk = 0.0023310 k( 296) = ( 0.6141304 -0.0658932 0.4259982), wk = 0.0023310 k( 297) = ( 0.6086957 -0.0627555 0.4348732), wk = 0.0023310 k( 298) = ( 0.6032609 -0.0596177 0.4437481), wk = 0.0023310 k( 299) = ( 0.5978261 -0.0564799 0.4526231), wk = 0.0023310 k( 300) = ( 0.5923913 -0.0533421 0.4614981), wk = 0.0023310 k( 301) = ( 0.5869565 -0.0502044 0.4703730), wk = 0.0023310 k( 302) = ( 0.5815217 -0.0470666 0.4792480), wk = 0.0023310 k( 303) = ( 0.5760870 -0.0439288 0.4881230), wk = 0.0023310 k( 304) = ( 0.5706522 -0.0407910 0.4969979), wk = 0.0023310 k( 305) = ( 0.5652174 -0.0376533 0.5058729), wk = 0.0023310 k( 306) = ( 0.5597826 -0.0345155 0.5147478), wk = 0.0023310 k( 307) = ( 0.5543478 -0.0313777 0.5236228), wk = 0.0023310 k( 308) = ( 0.5489130 -0.0282400 0.5324978), wk = 0.0023310 k( 309) = ( 0.5434783 -0.0251022 0.5413727), wk = 0.0023310 k( 310) = ( 0.5380435 -0.0219644 0.5502477), wk = 0.0023310 k( 311) = ( 0.5326087 -0.0188266 0.5591227), wk = 0.0023310 k( 312) = ( 0.5271739 -0.0156889 0.5679976), wk = 0.0023310 k( 313) = ( 0.5217391 -0.0125511 0.5768726), wk = 0.0023310 k( 314) = ( 0.5163043 -0.0094133 0.5857475), wk = 0.0023310 k( 315) = ( 0.5108696 -0.0062755 0.5946225), wk = 0.0023310 k( 316) = ( 0.5054348 -0.0031378 0.6034975), wk = 0.0023310 k( 317) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0023310 k( 318) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0023310 k( 319) = ( 0.5000000 0.0062755 0.6034975), wk = 0.0023310 k( 320) = ( 0.5000000 0.0125511 0.5946225), wk = 0.0023310 k( 321) = ( 0.5000000 0.0188266 0.5857475), wk = 0.0023310 k( 322) = ( 0.5000000 0.0251022 0.5768726), wk = 0.0023310 k( 323) = ( 0.5000000 0.0313777 0.5679976), wk = 0.0023310 k( 324) = ( 0.5000000 0.0376533 0.5591227), wk = 0.0023310 k( 325) = ( 0.5000000 0.0439288 0.5502477), wk = 0.0023310 k( 326) = ( 0.5000000 0.0502044 0.5413727), wk = 0.0023310 k( 327) = ( 0.5000000 0.0564799 0.5324978), wk = 0.0023310 k( 328) = ( 0.5000000 0.0627555 0.5236228), wk = 0.0023310 k( 329) = ( 0.5000000 0.0690310 0.5147478), wk = 0.0023310 k( 330) = ( 0.5000000 0.0753066 0.5058729), wk = 0.0023310 k( 331) = ( 0.5000000 0.0815821 0.4969979), wk = 0.0023310 k( 332) = ( 0.5000000 0.0878577 0.4881230), wk = 0.0023310 k( 333) = ( 0.5000000 0.0941332 0.4792480), wk = 0.0023310 k( 334) = ( 0.5000000 0.1004087 0.4703730), wk = 0.0023310 k( 335) = ( 0.5000000 0.1066843 0.4614981), wk = 0.0023310 k( 336) = ( 0.5000000 0.1129598 0.4526231), wk = 0.0023310 k( 337) = ( 0.5000000 0.1192354 0.4437481), wk = 0.0023310 k( 338) = ( 0.5000000 0.1255109 0.4348732), wk = 0.0023310 k( 339) = ( 0.5000000 0.1317865 0.4259982), wk = 0.0023310 k( 340) = ( 0.5000000 0.1380620 0.4171232), wk = 0.0023310 k( 341) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0023310 k( 342) = ( 0.5000000 0.1506131 0.3993733), wk = 0.0023310 k( 343) = ( 0.5000000 0.1568887 0.3904984), wk = 0.0023310 k( 344) = ( 0.5000000 0.1631642 0.3816234), wk = 0.0023310 k( 345) = ( 0.5000000 0.1694398 0.3727484), wk = 0.0023310 k( 346) = ( 0.5000000 0.1757153 0.3638735), wk = 0.0023310 k( 347) = ( 0.5000000 0.1819909 0.3549985), wk = 0.0023310 k( 348) = ( 0.5000000 0.1882664 0.3461235), wk = 0.0023310 k( 349) = ( 0.5000000 0.1945419 0.3372486), wk = 0.0023310 k( 350) = ( 0.5000000 0.2008175 0.3283736), wk = 0.0023310 k( 351) = ( 0.5000000 0.2070930 0.3194987), wk = 0.0023310 k( 352) = ( 0.5000000 0.2133686 0.3106237), wk = 0.0023310 k( 353) = ( 0.5000000 0.2196441 0.3017487), wk = 0.0023310 k( 354) = ( 0.5000000 0.2259197 0.2928738), wk = 0.0023310 k( 355) = ( 0.5000000 0.2321952 0.2839988), wk = 0.0023310 k( 356) = ( 0.5000000 0.2384708 0.2751238), wk = 0.0023310 k( 357) = ( 0.5000000 0.2447463 0.2662489), wk = 0.0023310 k( 358) = ( 0.5000000 0.2510219 0.2573739), wk = 0.0023310 k( 359) = ( 0.5000000 0.2572974 0.2484990), wk = 0.0023310 k( 360) = ( 0.5000000 0.2635729 0.2396240), wk = 0.0023310 k( 361) = ( 0.5000000 0.2698485 0.2307490), wk = 0.0023310 k( 362) = ( 0.5000000 0.2761240 0.2218741), wk = 0.0023310 k( 363) = ( 0.5000000 0.2823996 0.2129991), wk = 0.0023310 k( 364) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0023310 k( 365) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0023310 k( 366) = ( 0.4968750 0.2868709 0.2143304), wk = 0.0023310 k( 367) = ( 0.4937500 0.2850667 0.2245366), wk = 0.0023310 k( 368) = ( 0.4906250 0.2832625 0.2347428), wk = 0.0023310 k( 369) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0023310 k( 370) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0023310 k( 371) = ( 0.4812500 0.2778498 0.2653614), wk = 0.0023310 k( 372) = ( 0.4781250 0.2760456 0.2755676), wk = 0.0023310 k( 373) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0023310 k( 374) = ( 0.4718750 0.2724372 0.2959800), wk = 0.0023310 k( 375) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0023310 k( 376) = ( 0.4656250 0.2688287 0.3163924), wk = 0.0023310 k( 377) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0023310 k( 378) = ( 0.4593750 0.2652203 0.3368048), wk = 0.0023310 k( 379) = ( 0.4562500 0.2634161 0.3470110), wk = 0.0023310 k( 380) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0023310 k( 381) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0023310 k( 382) = ( 0.4468750 0.2580034 0.3776297), wk = 0.0023310 k( 383) = ( 0.4437500 0.2561992 0.3878359), wk = 0.0023310 k( 384) = ( 0.4406250 0.2543950 0.3980421), wk = 0.0023310 k( 385) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0023310 k( 386) = ( 0.4343750 0.2507865 0.4184545), wk = 0.0023310 k( 387) = ( 0.4312500 0.2489823 0.4286607), wk = 0.0023310 k( 388) = ( 0.4281250 0.2471781 0.4388669), wk = 0.0023310 k( 389) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0023310 k( 390) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0023310 k( 391) = ( 0.4187500 0.2417654 0.4694855), wk = 0.0023310 k( 392) = ( 0.4156250 0.2399612 0.4796917), wk = 0.0023310 k( 393) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0023310 k( 394) = ( 0.4093750 0.2363528 0.5001042), wk = 0.0023310 k( 395) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0023310 k( 396) = ( 0.4031250 0.2327443 0.5205166), wk = 0.0023310 k( 397) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0023310 k( 398) = ( 0.3968750 0.2291359 0.5409290), wk = 0.0023310 k( 399) = ( 0.3937500 0.2273317 0.5511352), wk = 0.0023310 k( 400) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0023310 k( 401) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0023310 k( 402) = ( 0.3843750 0.2219190 0.5817538), wk = 0.0023310 k( 403) = ( 0.3812500 0.2201148 0.5919600), wk = 0.0023310 k( 404) = ( 0.3781250 0.2183106 0.6021662), wk = 0.0023310 k( 405) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0023310 k( 406) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0023310 k( 407) = ( 0.6195652 -0.0815821 0.4082483), wk = 0.0023310 k( 408) = ( 0.6141304 -0.0909954 0.4082483), wk = 0.0023310 k( 409) = ( 0.6086957 -0.1004087 0.4082483), wk = 0.0023310 k( 410) = ( 0.6032609 -0.1098221 0.4082483), wk = 0.0023310 k( 411) = ( 0.5978261 -0.1192354 0.4082483), wk = 0.0023310 k( 412) = ( 0.5923913 -0.1286487 0.4082483), wk = 0.0023310 k( 413) = ( 0.5869565 -0.1380620 0.4082483), wk = 0.0023310 k( 414) = ( 0.5815217 -0.1474753 0.4082483), wk = 0.0023310 k( 415) = ( 0.5760870 -0.1568887 0.4082483), wk = 0.0023310 k( 416) = ( 0.5706522 -0.1663020 0.4082483), wk = 0.0023310 k( 417) = ( 0.5652174 -0.1757153 0.4082483), wk = 0.0023310 k( 418) = ( 0.5597826 -0.1851286 0.4082483), wk = 0.0023310 k( 419) = ( 0.5543478 -0.1945419 0.4082483), wk = 0.0023310 k( 420) = ( 0.5489130 -0.2039553 0.4082483), wk = 0.0023310 k( 421) = ( 0.5434783 -0.2133686 0.4082483), wk = 0.0023310 k( 422) = ( 0.5380435 -0.2227819 0.4082483), wk = 0.0023310 k( 423) = ( 0.5326087 -0.2321952 0.4082483), wk = 0.0023310 k( 424) = ( 0.5271739 -0.2416085 0.4082483), wk = 0.0023310 k( 425) = ( 0.5217391 -0.2510219 0.4082483), wk = 0.0023310 k( 426) = ( 0.5163043 -0.2604352 0.4082483), wk = 0.0023310 k( 427) = ( 0.5108696 -0.2698485 0.4082483), wk = 0.0023310 k( 428) = ( 0.5054348 -0.2792618 0.4082483), wk = 0.0023310 k( 429) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0023310 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023310 k( 2) = ( 0.0076923 0.0000000 0.0076923), wk = 0.0023310 k( 3) = ( 0.0153846 0.0000000 0.0153846), wk = 0.0023310 k( 4) = ( 0.0230769 0.0000000 0.0230769), wk = 0.0023310 k( 5) = ( 0.0307692 -0.0000000 0.0307692), wk = 0.0023310 k( 6) = ( 0.0384615 0.0000000 0.0384615), wk = 0.0023310 k( 7) = ( 0.0461539 0.0000000 0.0461538), wk = 0.0023310 k( 8) = ( 0.0538462 0.0000000 0.0538461), wk = 0.0023310 k( 9) = ( 0.0615385 -0.0000000 0.0615385), wk = 0.0023310 k( 10) = ( 0.0692308 0.0000000 0.0692308), wk = 0.0023310 k( 11) = ( 0.0769231 0.0000000 0.0769231), wk = 0.0023310 k( 12) = ( 0.0846154 -0.0000000 0.0846154), wk = 0.0023310 k( 13) = ( 0.0923077 0.0000000 0.0923077), wk = 0.0023310 k( 14) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0023310 k( 15) = ( 0.1076923 0.0000000 0.1076923), wk = 0.0023310 k( 16) = ( 0.1153846 0.0000000 0.1153846), wk = 0.0023310 k( 17) = ( 0.1230769 -0.0000000 0.1230769), wk = 0.0023310 k( 18) = ( 0.1307692 0.0000000 0.1307692), wk = 0.0023310 k( 19) = ( 0.1384615 0.0000000 0.1384615), wk = 0.0023310 k( 20) = ( 0.1461539 0.0000000 0.1461538), wk = 0.0023310 k( 21) = ( 0.1538461 0.0000000 0.1538462), wk = 0.0023310 k( 22) = ( 0.1615385 0.0000000 0.1615385), wk = 0.0023310 k( 23) = ( 0.1692308 -0.0000000 0.1692308), wk = 0.0023310 k( 24) = ( 0.1769231 0.0000000 0.1769231), wk = 0.0023310 k( 25) = ( 0.1846154 0.0000000 0.1846154), wk = 0.0023310 k( 26) = ( 0.1923077 0.0000000 0.1923077), wk = 0.0023310 k( 27) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0023310 k( 28) = ( 0.2076923 0.0000000 0.2076923), wk = 0.0023310 k( 29) = ( 0.2153846 0.0000000 0.2153846), wk = 0.0023310 k( 30) = ( 0.2230769 0.0000000 0.2230769), wk = 0.0023310 k( 31) = ( 0.2307692 -0.0000000 0.2307692), wk = 0.0023310 k( 32) = ( 0.2384615 0.0000000 0.2384615), wk = 0.0023310 k( 33) = ( 0.2461539 0.0000000 0.2461539), wk = 0.0023310 k( 34) = ( 0.2538461 0.0000000 0.2538461), wk = 0.0023310 k( 35) = ( 0.2615385 0.0000000 0.2615385), wk = 0.0023310 k( 36) = ( 0.2692308 0.0000000 0.2692308), wk = 0.0023310 k( 37) = ( 0.2769231 0.0000000 0.2769231), wk = 0.0023310 k( 38) = ( 0.2846154 0.0000000 0.2846154), wk = 0.0023310 k( 39) = ( 0.2923077 0.0000000 0.2923077), wk = 0.0023310 k( 40) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0023310 k( 41) = ( 0.3076923 0.0000000 0.3076923), wk = 0.0023310 k( 42) = ( 0.3153846 0.0000000 0.3153846), wk = 0.0023310 k( 43) = ( 0.3230769 0.0000000 0.3230769), wk = 0.0023310 k( 44) = ( 0.3307692 0.0000000 0.3307692), wk = 0.0023310 k( 45) = ( 0.3384615 -0.0000000 0.3384615), wk = 0.0023310 k( 46) = ( 0.3461538 -0.0000000 0.3461538), wk = 0.0023310 k( 47) = ( 0.3538462 -0.0000000 0.3538461), wk = 0.0023310 k( 48) = ( 0.3615385 0.0000000 0.3615385), wk = 0.0023310 k( 49) = ( 0.3692308 0.0000000 0.3692308), wk = 0.0023310 k( 50) = ( 0.3769231 0.0000000 0.3769231), wk = 0.0023310 k( 51) = ( 0.3846154 0.0000000 0.3846154), wk = 0.0023310 k( 52) = ( 0.3923077 0.0000000 0.3923077), wk = 0.0023310 k( 53) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0023310 k( 54) = ( 0.4076923 0.0000000 0.4076923), wk = 0.0023310 k( 55) = ( 0.4153846 0.0000000 0.4153846), wk = 0.0023310 k( 56) = ( 0.4230769 0.0000000 0.4230769), wk = 0.0023310 k( 57) = ( 0.4307692 0.0000000 0.4307692), wk = 0.0023310 k( 58) = ( 0.4384615 -0.0000000 0.4384615), wk = 0.0023310 k( 59) = ( 0.4461539 -0.0000000 0.4461538), wk = 0.0023310 k( 60) = ( 0.4538462 -0.0000000 0.4538462), wk = 0.0023310 k( 61) = ( 0.4615385 -0.0000000 0.4615385), wk = 0.0023310 k( 62) = ( 0.4692308 0.0000000 0.4692308), wk = 0.0023310 k( 63) = ( 0.4769231 0.0000000 0.4769231), wk = 0.0023310 k( 64) = ( 0.4846154 0.0000000 0.4846154), wk = 0.0023310 k( 65) = ( 0.4923077 0.0000000 0.4923077), wk = 0.0023310 k( 66) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023310 k( 67) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023310 k( 68) = ( 0.5000000 0.0075758 0.5075758), wk = 0.0023310 k( 69) = ( 0.5000000 0.0151515 0.5151515), wk = 0.0023310 k( 70) = ( 0.5000000 0.0227273 0.5227273), wk = 0.0023310 k( 71) = ( 0.5000000 0.0303030 0.5303030), wk = 0.0023310 k( 72) = ( 0.5000000 0.0378788 0.5378788), wk = 0.0023310 k( 73) = ( 0.5000000 0.0454545 0.5454545), wk = 0.0023310 k( 74) = ( 0.5000000 0.0530303 0.5530303), wk = 0.0023310 k( 75) = ( 0.5000000 0.0606061 0.5606061), wk = 0.0023310 k( 76) = ( 0.5000000 0.0681818 0.5681818), wk = 0.0023310 k( 77) = ( 0.5000000 0.0757576 0.5757576), wk = 0.0023310 k( 78) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0023310 k( 79) = ( 0.5000000 0.0909091 0.5909091), wk = 0.0023310 k( 80) = ( 0.5000000 0.0984848 0.5984848), wk = 0.0023310 k( 81) = ( 0.5000000 0.1060606 0.6060606), wk = 0.0023310 k( 82) = ( 0.5000000 0.1136364 0.6136364), wk = 0.0023310 k( 83) = ( 0.5000000 0.1212121 0.6212121), wk = 0.0023310 k( 84) = ( 0.5000000 0.1287879 0.6287879), wk = 0.0023310 k( 85) = ( 0.5000000 0.1363636 0.6363636), wk = 0.0023310 k( 86) = ( 0.5000000 0.1439394 0.6439394), wk = 0.0023310 k( 87) = ( 0.5000000 0.1515151 0.6515152), wk = 0.0023310 k( 88) = ( 0.5000000 0.1590909 0.6590909), wk = 0.0023310 k( 89) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0023310 k( 90) = ( 0.5000000 0.1742424 0.6742424), wk = 0.0023310 k( 91) = ( 0.5000000 0.1818182 0.6818182), wk = 0.0023310 k( 92) = ( 0.5000000 0.1893939 0.6893939), wk = 0.0023310 k( 93) = ( 0.5000000 0.1969697 0.6969697), wk = 0.0023310 k( 94) = ( 0.5000000 0.2045454 0.7045455), wk = 0.0023310 k( 95) = ( 0.5000000 0.2121212 0.7121212), wk = 0.0023310 k( 96) = ( 0.5000000 0.2196970 0.7196970), wk = 0.0023310 k( 97) = ( 0.5000000 0.2272727 0.7272727), wk = 0.0023310 k( 98) = ( 0.5000000 0.2348485 0.7348485), wk = 0.0023310 k( 99) = ( 0.5000000 0.2424242 0.7424242), wk = 0.0023310 k( 100) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0023310 k( 101) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0023310 k( 102) = ( 0.4945652 0.2554348 0.7500000), wk = 0.0023310 k( 103) = ( 0.4891304 0.2608696 0.7500000), wk = 0.0023310 k( 104) = ( 0.4836956 0.2663044 0.7500000), wk = 0.0023310 k( 105) = ( 0.4782609 0.2717391 0.7500000), wk = 0.0023310 k( 106) = ( 0.4728261 0.2771739 0.7500000), wk = 0.0023310 k( 107) = ( 0.4673913 0.2826087 0.7500000), wk = 0.0023310 k( 108) = ( 0.4619565 0.2880435 0.7500000), wk = 0.0023310 k( 109) = ( 0.4565217 0.2934783 0.7500000), wk = 0.0023310 k( 110) = ( 0.4510870 0.2989130 0.7500000), wk = 0.0023310 k( 111) = ( 0.4456522 0.3043478 0.7500000), wk = 0.0023310 k( 112) = ( 0.4402174 0.3097826 0.7500000), wk = 0.0023310 k( 113) = ( 0.4347826 0.3152174 0.7500000), wk = 0.0023310 k( 114) = ( 0.4293478 0.3206522 0.7500000), wk = 0.0023310 k( 115) = ( 0.4239130 0.3260870 0.7500000), wk = 0.0023310 k( 116) = ( 0.4184783 0.3315217 0.7500000), wk = 0.0023310 k( 117) = ( 0.4130435 0.3369565 0.7500000), wk = 0.0023310 k( 118) = ( 0.4076087 0.3423913 0.7500000), wk = 0.0023310 k( 119) = ( 0.4021739 0.3478261 0.7500000), wk = 0.0023310 k( 120) = ( 0.3967391 0.3532609 0.7500000), wk = 0.0023310 k( 121) = ( 0.3913044 0.3586956 0.7500000), wk = 0.0023310 k( 122) = ( 0.3858696 0.3641304 0.7500000), wk = 0.0023310 k( 123) = ( 0.3804348 0.3695652 0.7500000), wk = 0.0023310 k( 124) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0023310 k( 125) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0023310 k( 126) = ( 0.3695652 0.3695652 0.7391304), wk = 0.0023310 k( 127) = ( 0.3641304 0.3641304 0.7282609), wk = 0.0023310 k( 128) = ( 0.3586956 0.3586956 0.7173913), wk = 0.0023310 k( 129) = ( 0.3532609 0.3532609 0.7065217), wk = 0.0023310 k( 130) = ( 0.3478261 0.3478261 0.6956522), wk = 0.0023310 k( 131) = ( 0.3423913 0.3423913 0.6847826), wk = 0.0023310 k( 132) = ( 0.3369565 0.3369565 0.6739130), wk = 0.0023310 k( 133) = ( 0.3315217 0.3315217 0.6630435), wk = 0.0023310 k( 134) = ( 0.3260870 0.3260870 0.6521739), wk = 0.0023310 k( 135) = ( 0.3206522 0.3206522 0.6413043), wk = 0.0023310 k( 136) = ( 0.3152174 0.3152174 0.6304348), wk = 0.0023310 k( 137) = ( 0.3097826 0.3097826 0.6195652), wk = 0.0023310 k( 138) = ( 0.3043478 0.3043478 0.6086957), wk = 0.0023310 k( 139) = ( 0.2989130 0.2989130 0.5978261), wk = 0.0023310 k( 140) = ( 0.2934783 0.2934783 0.5869565), wk = 0.0023310 k( 141) = ( 0.2880435 0.2880435 0.5760870), wk = 0.0023310 k( 142) = ( 0.2826087 0.2826087 0.5652174), wk = 0.0023310 k( 143) = ( 0.2771739 0.2771739 0.5543478), wk = 0.0023310 k( 144) = ( 0.2717391 0.2717391 0.5434783), wk = 0.0023310 k( 145) = ( 0.2663044 0.2663043 0.5326087), wk = 0.0023310 k( 146) = ( 0.2608696 0.2608696 0.5217391), wk = 0.0023310 k( 147) = ( 0.2554348 0.2554348 0.5108696), wk = 0.0023310 k( 148) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0023310 k( 149) = ( 0.2445652 0.2445652 0.4891304), wk = 0.0023310 k( 150) = ( 0.2391304 0.2391304 0.4782609), wk = 0.0023310 k( 151) = ( 0.2336957 0.2336956 0.4673913), wk = 0.0023310 k( 152) = ( 0.2282609 0.2282609 0.4565217), wk = 0.0023310 k( 153) = ( 0.2228261 0.2228261 0.4456522), wk = 0.0023310 k( 154) = ( 0.2173913 0.2173913 0.4347826), wk = 0.0023310 k( 155) = ( 0.2119565 0.2119565 0.4239130), wk = 0.0023310 k( 156) = ( 0.2065217 0.2065217 0.4130435), wk = 0.0023310 k( 157) = ( 0.2010870 0.2010870 0.4021739), wk = 0.0023310 k( 158) = ( 0.1956522 0.1956522 0.3913043), wk = 0.0023310 k( 159) = ( 0.1902174 0.1902174 0.3804348), wk = 0.0023310 k( 160) = ( 0.1847826 0.1847826 0.3695652), wk = 0.0023310 k( 161) = ( 0.1793478 0.1793478 0.3586956), wk = 0.0023310 k( 162) = ( 0.1739130 0.1739130 0.3478261), wk = 0.0023310 k( 163) = ( 0.1684783 0.1684783 0.3369565), wk = 0.0023310 k( 164) = ( 0.1630435 0.1630435 0.3260870), wk = 0.0023310 k( 165) = ( 0.1576087 0.1576087 0.3152174), wk = 0.0023310 k( 166) = ( 0.1521739 0.1521739 0.3043478), wk = 0.0023310 k( 167) = ( 0.1467391 0.1467391 0.2934783), wk = 0.0023310 k( 168) = ( 0.1413043 0.1413043 0.2826087), wk = 0.0023310 k( 169) = ( 0.1358696 0.1358696 0.2717391), wk = 0.0023310 k( 170) = ( 0.1304348 0.1304348 0.2608696), wk = 0.0023310 k( 171) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0023310 k( 172) = ( 0.1195652 0.1195652 0.2391304), wk = 0.0023310 k( 173) = ( 0.1141304 0.1141304 0.2282609), wk = 0.0023310 k( 174) = ( 0.1086957 0.1086957 0.2173913), wk = 0.0023310 k( 175) = ( 0.1032609 0.1032609 0.2065217), wk = 0.0023310 k( 176) = ( 0.0978261 0.0978261 0.1956522), wk = 0.0023310 k( 177) = ( 0.0923913 0.0923913 0.1847826), wk = 0.0023310 k( 178) = ( 0.0869565 0.0869565 0.1739130), wk = 0.0023310 k( 179) = ( 0.0815217 0.0815217 0.1630435), wk = 0.0023310 k( 180) = ( 0.0760870 0.0760870 0.1521739), wk = 0.0023310 k( 181) = ( 0.0706522 0.0706522 0.1413043), wk = 0.0023310 k( 182) = ( 0.0652174 0.0652174 0.1304348), wk = 0.0023310 k( 183) = ( 0.0597826 0.0597826 0.1195652), wk = 0.0023310 k( 184) = ( 0.0543478 0.0543478 0.1086956), wk = 0.0023310 k( 185) = ( 0.0489130 0.0489130 0.0978261), wk = 0.0023310 k( 186) = ( 0.0434783 0.0434783 0.0869565), wk = 0.0023310 k( 187) = ( 0.0380435 0.0380435 0.0760870), wk = 0.0023310 k( 188) = ( 0.0326087 0.0326087 0.0652174), wk = 0.0023310 k( 189) = ( 0.0271739 0.0271739 0.0543478), wk = 0.0023310 k( 190) = ( 0.0217391 0.0217391 0.0434783), wk = 0.0023310 k( 191) = ( 0.0163043 0.0163043 0.0326087), wk = 0.0023310 k( 192) = ( 0.0108696 0.0108696 0.0217391), wk = 0.0023310 k( 193) = ( 0.0054348 0.0054348 0.0108696), wk = 0.0023310 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023310 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023310 k( 196) = ( 0.0087719 0.0087719 0.0087719), wk = 0.0023310 k( 197) = ( 0.0175439 0.0175439 0.0175439), wk = 0.0023310 k( 198) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0023310 k( 199) = ( 0.0350877 0.0350877 0.0350877), wk = 0.0023310 k( 200) = ( 0.0438597 0.0438597 0.0438596), wk = 0.0023310 k( 201) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0023310 k( 202) = ( 0.0614035 0.0614035 0.0614035), wk = 0.0023310 k( 203) = ( 0.0701754 0.0701754 0.0701754), wk = 0.0023310 k( 204) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0023310 k( 205) = ( 0.0877193 0.0877193 0.0877193), wk = 0.0023310 k( 206) = ( 0.0964912 0.0964912 0.0964912), wk = 0.0023310 k( 207) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0023310 k( 208) = ( 0.1140351 0.1140351 0.1140351), wk = 0.0023310 k( 209) = ( 0.1228070 0.1228070 0.1228070), wk = 0.0023310 k( 210) = ( 0.1315790 0.1315790 0.1315789), wk = 0.0023310 k( 211) = ( 0.1403509 0.1403509 0.1403509), wk = 0.0023310 k( 212) = ( 0.1491228 0.1491228 0.1491228), wk = 0.0023310 k( 213) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0023310 k( 214) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0023310 k( 215) = ( 0.1754386 0.1754386 0.1754386), wk = 0.0023310 k( 216) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0023310 k( 217) = ( 0.1929825 0.1929825 0.1929825), wk = 0.0023310 k( 218) = ( 0.2017544 0.2017544 0.2017544), wk = 0.0023310 k( 219) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0023310 k( 220) = ( 0.2192983 0.2192983 0.2192983), wk = 0.0023310 k( 221) = ( 0.2280702 0.2280702 0.2280702), wk = 0.0023310 k( 222) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0023310 k( 223) = ( 0.2456140 0.2456140 0.2456140), wk = 0.0023310 k( 224) = ( 0.2543860 0.2543860 0.2543860), wk = 0.0023310 k( 225) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0023310 k( 226) = ( 0.2719298 0.2719298 0.2719298), wk = 0.0023310 k( 227) = ( 0.2807018 0.2807017 0.2807017), wk = 0.0023310 k( 228) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0023310 k( 229) = ( 0.2982456 0.2982456 0.2982456), wk = 0.0023310 k( 230) = ( 0.3070175 0.3070175 0.3070175), wk = 0.0023310 k( 231) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0023310 k( 232) = ( 0.3245614 0.3245614 0.3245614), wk = 0.0023310 k( 233) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0023310 k( 234) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0023310 k( 235) = ( 0.3508772 0.3508772 0.3508772), wk = 0.0023310 k( 236) = ( 0.3596491 0.3596491 0.3596491), wk = 0.0023310 k( 237) = ( 0.3684211 0.3684211 0.3684210), wk = 0.0023310 k( 238) = ( 0.3771930 0.3771930 0.3771930), wk = 0.0023310 k( 239) = ( 0.3859649 0.3859649 0.3859649), wk = 0.0023310 k( 240) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0023310 k( 241) = ( 0.4035088 0.4035088 0.4035088), wk = 0.0023310 k( 242) = ( 0.4122807 0.4122807 0.4122807), wk = 0.0023310 k( 243) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0023310 k( 244) = ( 0.4298246 0.4298246 0.4298246), wk = 0.0023310 k( 245) = ( 0.4385965 0.4385965 0.4385965), wk = 0.0023310 k( 246) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0023310 k( 247) = ( 0.4561404 0.4561403 0.4561404), wk = 0.0023310 k( 248) = ( 0.4649123 0.4649123 0.4649123), wk = 0.0023310 k( 249) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0023310 k( 250) = ( 0.4824561 0.4824561 0.4824561), wk = 0.0023310 k( 251) = ( 0.4912281 0.4912281 0.4912281), wk = 0.0023310 k( 252) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023310 k( 253) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023310 k( 254) = ( 0.5031250 0.4937500 0.5031250), wk = 0.0023310 k( 255) = ( 0.5062500 0.4875000 0.5062500), wk = 0.0023310 k( 256) = ( 0.5093750 0.4812500 0.5093750), wk = 0.0023310 k( 257) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0023310 k( 258) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0023310 k( 259) = ( 0.5187500 0.4625000 0.5187500), wk = 0.0023310 k( 260) = ( 0.5218750 0.4562500 0.5218750), wk = 0.0023310 k( 261) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0023310 k( 262) = ( 0.5281250 0.4437500 0.5281250), wk = 0.0023310 k( 263) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0023310 k( 264) = ( 0.5343750 0.4312500 0.5343750), wk = 0.0023310 k( 265) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0023310 k( 266) = ( 0.5406250 0.4187500 0.5406250), wk = 0.0023310 k( 267) = ( 0.5437500 0.4125000 0.5437500), wk = 0.0023310 k( 268) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0023310 k( 269) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0023310 k( 270) = ( 0.5531250 0.3937500 0.5531250), wk = 0.0023310 k( 271) = ( 0.5562500 0.3875000 0.5562500), wk = 0.0023310 k( 272) = ( 0.5593750 0.3812500 0.5593750), wk = 0.0023310 k( 273) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0023310 k( 274) = ( 0.5656250 0.3687500 0.5656250), wk = 0.0023310 k( 275) = ( 0.5687500 0.3625000 0.5687500), wk = 0.0023310 k( 276) = ( 0.5718750 0.3562500 0.5718750), wk = 0.0023310 k( 277) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0023310 k( 278) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0023310 k( 279) = ( 0.5812500 0.3375000 0.5812500), wk = 0.0023310 k( 280) = ( 0.5843750 0.3312500 0.5843750), wk = 0.0023310 k( 281) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0023310 k( 282) = ( 0.5906250 0.3187500 0.5906250), wk = 0.0023310 k( 283) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0023310 k( 284) = ( 0.5968750 0.3062500 0.5968750), wk = 0.0023310 k( 285) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0023310 k( 286) = ( 0.6031250 0.2937500 0.6031250), wk = 0.0023310 k( 287) = ( 0.6062500 0.2875000 0.6062500), wk = 0.0023310 k( 288) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0023310 k( 289) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0023310 k( 290) = ( 0.6156250 0.2687500 0.6156250), wk = 0.0023310 k( 291) = ( 0.6187500 0.2625000 0.6187500), wk = 0.0023310 k( 292) = ( 0.6218750 0.2562500 0.6218750), wk = 0.0023310 k( 293) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0023310 k( 294) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0023310 k( 295) = ( 0.6195652 0.2500000 0.6304348), wk = 0.0023310 k( 296) = ( 0.6141304 0.2500000 0.6358696), wk = 0.0023310 k( 297) = ( 0.6086957 0.2500000 0.6413043), wk = 0.0023310 k( 298) = ( 0.6032609 0.2500000 0.6467391), wk = 0.0023310 k( 299) = ( 0.5978261 0.2500000 0.6521739), wk = 0.0023310 k( 300) = ( 0.5923913 0.2500000 0.6576087), wk = 0.0023310 k( 301) = ( 0.5869565 0.2500000 0.6630435), wk = 0.0023310 k( 302) = ( 0.5815217 0.2500000 0.6684783), wk = 0.0023310 k( 303) = ( 0.5760870 0.2500000 0.6739130), wk = 0.0023310 k( 304) = ( 0.5706522 0.2500000 0.6793478), wk = 0.0023310 k( 305) = ( 0.5652174 0.2500000 0.6847826), wk = 0.0023310 k( 306) = ( 0.5597826 0.2500000 0.6902174), wk = 0.0023310 k( 307) = ( 0.5543478 0.2500000 0.6956522), wk = 0.0023310 k( 308) = ( 0.5489130 0.2500000 0.7010870), wk = 0.0023310 k( 309) = ( 0.5434783 0.2500000 0.7065217), wk = 0.0023310 k( 310) = ( 0.5380435 0.2500000 0.7119565), wk = 0.0023310 k( 311) = ( 0.5326087 0.2500000 0.7173913), wk = 0.0023310 k( 312) = ( 0.5271739 0.2500000 0.7228261), wk = 0.0023310 k( 313) = ( 0.5217391 0.2500000 0.7282609), wk = 0.0023310 k( 314) = ( 0.5163043 0.2500000 0.7336957), wk = 0.0023310 k( 315) = ( 0.5108696 0.2500000 0.7391304), wk = 0.0023310 k( 316) = ( 0.5054348 0.2500000 0.7445652), wk = 0.0023310 k( 317) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0023310 k( 318) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0023310 k( 319) = ( 0.5000000 0.2554348 0.7445652), wk = 0.0023310 k( 320) = ( 0.5000000 0.2608696 0.7391304), wk = 0.0023310 k( 321) = ( 0.5000000 0.2663043 0.7336957), wk = 0.0023310 k( 322) = ( 0.5000000 0.2717391 0.7282609), wk = 0.0023310 k( 323) = ( 0.5000000 0.2771739 0.7228261), wk = 0.0023310 k( 324) = ( 0.5000000 0.2826087 0.7173913), wk = 0.0023310 k( 325) = ( 0.5000000 0.2880435 0.7119565), wk = 0.0023310 k( 326) = ( 0.5000000 0.2934783 0.7065217), wk = 0.0023310 k( 327) = ( 0.5000000 0.2989130 0.7010870), wk = 0.0023310 k( 328) = ( 0.5000000 0.3043478 0.6956522), wk = 0.0023310 k( 329) = ( 0.5000000 0.3097826 0.6902174), wk = 0.0023310 k( 330) = ( 0.5000000 0.3152174 0.6847826), wk = 0.0023310 k( 331) = ( 0.5000000 0.3206522 0.6793478), wk = 0.0023310 k( 332) = ( 0.5000000 0.3260870 0.6739130), wk = 0.0023310 k( 333) = ( 0.5000000 0.3315217 0.6684783), wk = 0.0023310 k( 334) = ( 0.5000000 0.3369565 0.6630435), wk = 0.0023310 k( 335) = ( 0.5000000 0.3423913 0.6576087), wk = 0.0023310 k( 336) = ( 0.5000000 0.3478261 0.6521739), wk = 0.0023310 k( 337) = ( 0.5000000 0.3532609 0.6467391), wk = 0.0023310 k( 338) = ( 0.5000000 0.3586956 0.6413043), wk = 0.0023310 k( 339) = ( 0.5000000 0.3641304 0.6358696), wk = 0.0023310 k( 340) = ( 0.5000000 0.3695652 0.6304348), wk = 0.0023310 k( 341) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0023310 k( 342) = ( 0.5000000 0.3804348 0.6195652), wk = 0.0023310 k( 343) = ( 0.5000000 0.3858696 0.6141304), wk = 0.0023310 k( 344) = ( 0.5000000 0.3913044 0.6086957), wk = 0.0023310 k( 345) = ( 0.5000000 0.3967391 0.6032609), wk = 0.0023310 k( 346) = ( 0.5000000 0.4021739 0.5978261), wk = 0.0023310 k( 347) = ( 0.5000000 0.4076087 0.5923913), wk = 0.0023310 k( 348) = ( 0.5000000 0.4130435 0.5869565), wk = 0.0023310 k( 349) = ( 0.5000000 0.4184783 0.5815217), wk = 0.0023310 k( 350) = ( 0.5000000 0.4239130 0.5760870), wk = 0.0023310 k( 351) = ( 0.5000000 0.4293478 0.5706522), wk = 0.0023310 k( 352) = ( 0.5000000 0.4347826 0.5652174), wk = 0.0023310 k( 353) = ( 0.5000000 0.4402174 0.5597826), wk = 0.0023310 k( 354) = ( 0.5000000 0.4456522 0.5543478), wk = 0.0023310 k( 355) = ( 0.5000000 0.4510870 0.5489130), wk = 0.0023310 k( 356) = ( 0.5000000 0.4565217 0.5434783), wk = 0.0023310 k( 357) = ( 0.5000000 0.4619565 0.5380435), wk = 0.0023310 k( 358) = ( 0.5000000 0.4673913 0.5326087), wk = 0.0023310 k( 359) = ( 0.5000000 0.4728261 0.5271739), wk = 0.0023310 k( 360) = ( 0.5000000 0.4782609 0.5217391), wk = 0.0023310 k( 361) = ( 0.5000000 0.4836956 0.5163043), wk = 0.0023310 k( 362) = ( 0.5000000 0.4891304 0.5108696), wk = 0.0023310 k( 363) = ( 0.5000000 0.4945652 0.5054348), wk = 0.0023310 k( 364) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023310 k( 365) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023310 k( 366) = ( 0.4968750 0.4968750 0.5062500), wk = 0.0023310 k( 367) = ( 0.4937500 0.4937500 0.5125000), wk = 0.0023310 k( 368) = ( 0.4906250 0.4906250 0.5187500), wk = 0.0023310 k( 369) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0023310 k( 370) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0023310 k( 371) = ( 0.4812500 0.4812500 0.5375000), wk = 0.0023310 k( 372) = ( 0.4781250 0.4781250 0.5437500), wk = 0.0023310 k( 373) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0023310 k( 374) = ( 0.4718750 0.4718750 0.5562500), wk = 0.0023310 k( 375) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0023310 k( 376) = ( 0.4656250 0.4656250 0.5687500), wk = 0.0023310 k( 377) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0023310 k( 378) = ( 0.4593750 0.4593750 0.5812500), wk = 0.0023310 k( 379) = ( 0.4562500 0.4562500 0.5875000), wk = 0.0023310 k( 380) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0023310 k( 381) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0023310 k( 382) = ( 0.4468750 0.4468750 0.6062500), wk = 0.0023310 k( 383) = ( 0.4437500 0.4437500 0.6125000), wk = 0.0023310 k( 384) = ( 0.4406250 0.4406250 0.6187500), wk = 0.0023310 k( 385) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0023310 k( 386) = ( 0.4343750 0.4343750 0.6312500), wk = 0.0023310 k( 387) = ( 0.4312500 0.4312500 0.6375000), wk = 0.0023310 k( 388) = ( 0.4281250 0.4281250 0.6437500), wk = 0.0023310 k( 389) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0023310 k( 390) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0023310 k( 391) = ( 0.4187500 0.4187500 0.6625000), wk = 0.0023310 k( 392) = ( 0.4156250 0.4156250 0.6687500), wk = 0.0023310 k( 393) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0023310 k( 394) = ( 0.4093750 0.4093750 0.6812500), wk = 0.0023310 k( 395) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0023310 k( 396) = ( 0.4031250 0.4031250 0.6937500), wk = 0.0023310 k( 397) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0023310 k( 398) = ( 0.3968750 0.3968750 0.7062500), wk = 0.0023310 k( 399) = ( 0.3937500 0.3937500 0.7125000), wk = 0.0023310 k( 400) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0023310 k( 401) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0023310 k( 402) = ( 0.3843750 0.3843750 0.7312500), wk = 0.0023310 k( 403) = ( 0.3812500 0.3812500 0.7375000), wk = 0.0023310 k( 404) = ( 0.3781250 0.3781250 0.7437500), wk = 0.0023310 k( 405) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0023310 k( 406) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0023310 k( 407) = ( 0.6195652 0.2391304 0.6195652), wk = 0.0023310 k( 408) = ( 0.6141304 0.2282609 0.6141304), wk = 0.0023310 k( 409) = ( 0.6086957 0.2173913 0.6086957), wk = 0.0023310 k( 410) = ( 0.6032609 0.2065217 0.6032609), wk = 0.0023310 k( 411) = ( 0.5978261 0.1956522 0.5978261), wk = 0.0023310 k( 412) = ( 0.5923913 0.1847826 0.5923913), wk = 0.0023310 k( 413) = ( 0.5869565 0.1739130 0.5869565), wk = 0.0023310 k( 414) = ( 0.5815217 0.1630435 0.5815217), wk = 0.0023310 k( 415) = ( 0.5760870 0.1521739 0.5760870), wk = 0.0023310 k( 416) = ( 0.5706522 0.1413043 0.5706522), wk = 0.0023310 k( 417) = ( 0.5652174 0.1304348 0.5652174), wk = 0.0023310 k( 418) = ( 0.5597826 0.1195652 0.5597826), wk = 0.0023310 k( 419) = ( 0.5543478 0.1086957 0.5543478), wk = 0.0023310 k( 420) = ( 0.5489130 0.0978261 0.5489130), wk = 0.0023310 k( 421) = ( 0.5434783 0.0869565 0.5434783), wk = 0.0023310 k( 422) = ( 0.5380435 0.0760870 0.5380435), wk = 0.0023310 k( 423) = ( 0.5326087 0.0652174 0.5326087), wk = 0.0023310 k( 424) = ( 0.5271739 0.0543478 0.5271739), wk = 0.0023310 k( 425) = ( 0.5217391 0.0434783 0.5217391), wk = 0.0023310 k( 426) = ( 0.5163043 0.0326087 0.5163043), wk = 0.0023310 k( 427) = ( 0.5108696 0.0217391 0.5108696), wk = 0.0023310 k( 428) = ( 0.5054348 0.0108696 0.5054348), wk = 0.0023310 k( 429) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023310 Dense grid: 26133 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 9409 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 50, 24) NL pseudopotentials 0.02 Mb ( 25, 48) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.00 Mb ( 544) G-vector shells 0.00 Mb ( 200) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.07 Mb ( 50, 96) Each subspace H/S matrix 0.14 Mb ( 96, 96) Each matrix 0.04 Mb ( 48, 2, 24) Check: negative/imaginary core charge= -0.000012 0.000000 The potential is recalculated from file : ./ScN.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 40.3 secs Computing kpt #: 2 total cpu time spent up to now is 40.9 secs Computing kpt #: 3 total cpu time spent up to now is 41.3 secs Computing kpt #: 4 total cpu time spent up to now is 41.8 secs Computing kpt #: 5 total cpu time spent up to now is 42.2 secs Computing kpt #: 6 total cpu time spent up to now is 42.6 secs Computing kpt #: 7 total cpu time spent up to now is 43.1 secs Computing kpt #: 8 total cpu time spent up to now is 43.5 secs Computing kpt #: 9 total cpu time spent up to now is 44.0 secs Computing kpt #: 10 total cpu time spent up to now is 44.4 secs Computing kpt #: 11 total cpu time spent up to now is 44.8 secs Computing kpt #: 12 total cpu time spent up to now is 45.2 secs Computing kpt #: 13 total cpu time spent up to now is 45.7 secs Computing kpt #: 14 total cpu time spent up to now is 46.1 secs Computing kpt #: 15 total cpu time spent up to now is 46.5 secs Computing kpt #: 16 total cpu time spent up to now is 46.9 secs Computing kpt #: 17 total cpu time spent up to now is 47.4 secs Computing kpt #: 18 total cpu time spent up to now is 47.8 secs Computing kpt #: 19 total cpu time spent up to now is 48.2 secs Computing kpt #: 20 total cpu time spent up to now is 48.6 secs Computing kpt #: 21 total cpu time spent up to now is 49.2 secs Computing kpt #: 22 total cpu time spent up to now is 49.7 secs Computing kpt #: 23 total cpu time spent up to now is 50.1 secs Computing kpt #: 24 total cpu time spent up to now is 50.5 secs Computing kpt #: 25 total cpu time spent up to now is 51.0 secs Computing kpt #: 26 total cpu time spent up to now is 51.4 secs Computing kpt #: 27 total cpu time spent up to now is 51.9 secs Computing kpt #: 28 total cpu time spent up to now is 52.3 secs Computing kpt #: 29 total cpu time spent up to now is 52.7 secs Computing kpt #: 30 total cpu time spent up to now is 53.2 secs Computing kpt #: 31 total cpu time spent up to now is 53.6 secs Computing kpt #: 32 total cpu time spent up to now is 54.1 secs Computing kpt #: 33 total cpu time spent up to now is 54.5 secs Computing kpt #: 34 total cpu time spent up to now is 55.0 secs Computing kpt #: 35 total cpu time spent up to now is 55.4 secs Computing kpt #: 36 total cpu time spent up to now is 56.1 secs Computing kpt #: 37 total cpu time spent up to now is 56.5 secs Computing kpt #: 38 total cpu time spent up to now is 56.9 secs Computing kpt #: 39 total cpu time spent up to now is 57.3 secs Computing kpt #: 40 total cpu time spent up to now is 57.7 secs Computing kpt #: 41 total cpu time spent up to now is 58.1 secs Computing kpt #: 42 total cpu time spent up to now is 58.5 secs Computing kpt #: 43 total cpu time spent up to now is 59.0 secs Computing kpt #: 44 total cpu time spent up to now is 59.7 secs Computing kpt #: 45 total cpu time spent up to now is 60.1 secs Computing kpt #: 46 total cpu time spent up to now is 60.5 secs Computing kpt #: 47 total cpu time spent up to now is 61.0 secs Computing kpt #: 48 total cpu time spent up to now is 61.6 secs Computing kpt #: 49 total cpu time spent up to now is 62.1 secs Computing kpt #: 50 total cpu time spent up to now is 62.6 secs Computing kpt #: 51 total cpu time spent up to now is 63.0 secs Computing kpt #: 52 total cpu time spent up to now is 63.4 secs Computing kpt #: 53 total cpu time spent up to now is 63.8 secs Computing kpt #: 54 total cpu time spent up to now is 64.2 secs Computing kpt #: 55 total cpu time spent up to now is 64.6 secs Computing kpt #: 56 total cpu time spent up to now is 65.0 secs Computing kpt #: 57 total cpu time spent up to now is 65.4 secs Computing kpt #: 58 total cpu time spent up to now is 65.8 secs Computing kpt #: 59 total cpu time spent up to now is 66.3 secs Computing kpt #: 60 total cpu time spent up to now is 66.7 secs Computing kpt #: 61 total cpu time spent up to now is 67.3 secs Computing kpt #: 62 total cpu time spent up to now is 67.7 secs Computing kpt #: 63 total cpu time spent up to now is 68.5 secs Computing kpt #: 64 total cpu time spent up to now is 68.9 secs Computing kpt #: 65 total cpu time spent up to now is 69.3 secs Computing kpt #: 66 total cpu time spent up to now is 69.7 secs Computing kpt #: 67 total cpu time spent up to now is 70.3 secs Computing kpt #: 68 total cpu time spent up to now is 70.8 secs Computing kpt #: 69 total cpu time spent up to now is 71.3 secs Computing kpt #: 70 total cpu time spent up to now is 71.9 secs Computing kpt #: 71 total cpu time spent up to now is 72.4 secs Computing kpt #: 72 total cpu time spent up to now is 72.9 secs Computing kpt #: 73 total cpu time spent up to now is 73.3 secs Computing kpt #: 74 total cpu time spent up to now is 73.9 secs Computing kpt #: 75 total cpu time spent up to now is 74.2 secs Computing kpt #: 76 total cpu time spent up to now is 74.5 secs Computing kpt #: 77 total cpu time spent up to now is 74.9 secs Computing kpt #: 78 total cpu time spent up to now is 75.3 secs Computing kpt #: 79 total cpu time spent up to now is 75.7 secs Computing kpt #: 80 total cpu time spent up to now is 76.1 secs Computing kpt #: 81 total cpu time spent up to now is 76.5 secs Computing kpt #: 82 total cpu time spent up to now is 77.0 secs Computing kpt #: 83 total cpu time spent up to now is 77.4 secs Computing kpt #: 84 total cpu time spent up to now is 77.8 secs Computing kpt #: 85 total cpu time spent up to now is 78.2 secs Computing kpt #: 86 total cpu time spent up to now is 78.7 secs Computing kpt #: 87 total cpu time spent up to now is 79.1 secs Computing kpt #: 88 total cpu time spent up to now is 79.7 secs Computing kpt #: 89 total cpu time spent up to now is 80.1 secs Computing kpt #: 90 total cpu time spent up to now is 80.5 secs Computing kpt #: 91 total cpu time spent up to now is 80.9 secs Computing kpt #: 92 total cpu time spent up to now is 81.5 secs Computing kpt #: 93 total cpu time spent up to now is 82.0 secs Computing kpt #: 94 total cpu time spent up to now is 82.4 secs Computing kpt #: 95 total cpu time spent up to now is 82.9 secs Computing kpt #: 96 total cpu time spent up to now is 83.2 secs Computing kpt #: 97 total cpu time spent up to now is 83.6 secs Computing kpt #: 98 total cpu time spent up to now is 83.9 secs Computing kpt #: 99 total cpu time spent up to now is 84.2 secs Computing kpt #: 100 total cpu time spent up to now is 84.6 secs Computing kpt #: 101 total cpu time spent up to now is 84.8 secs Computing kpt #: 102 total cpu time spent up to now is 85.1 secs Computing kpt #: 103 total cpu time spent up to now is 85.5 secs Computing kpt #: 104 total cpu time spent up to now is 85.9 secs Computing kpt #: 105 total cpu time spent up to now is 86.3 secs Computing kpt #: 106 total cpu time spent up to now is 86.7 secs Computing kpt #: 107 total cpu time spent up to now is 87.1 secs Computing kpt #: 108 total cpu time spent up to now is 87.6 secs Computing kpt #: 109 total cpu time spent up to now is 88.0 secs Computing kpt #: 110 total cpu time spent up to now is 88.4 secs Computing kpt #: 111 total cpu time spent up to now is 88.9 secs Computing kpt #: 112 total cpu time spent up to now is 89.4 secs Computing kpt #: 113 total cpu time spent up to now is 89.9 secs Computing kpt #: 114 total cpu time spent up to now is 90.4 secs Computing kpt #: 115 total cpu time spent up to now is 90.9 secs Computing kpt #: 116 total cpu time spent up to now is 91.5 secs Computing kpt #: 117 total cpu time spent up to now is 92.4 secs Computing kpt #: 118 total cpu time spent up to now is 92.9 secs Computing kpt #: 119 total cpu time spent up to now is 93.4 secs Computing kpt #: 120 total cpu time spent up to now is 93.8 secs Computing kpt #: 121 total cpu time spent up to now is 94.2 secs Computing kpt #: 122 total cpu time spent up to now is 94.7 secs Computing kpt #: 123 total cpu time spent up to now is 95.2 secs Computing kpt #: 124 total cpu time spent up to now is 95.6 secs Computing kpt #: 125 total cpu time spent up to now is 96.4 secs Computing kpt #: 126 total cpu time spent up to now is 96.9 secs Computing kpt #: 127 total cpu time spent up to now is 97.5 secs Computing kpt #: 128 total cpu time spent up to now is 98.0 secs Computing kpt #: 129 total cpu time spent up to now is 98.5 secs Computing kpt #: 130 total cpu time spent up to now is 99.1 secs Computing kpt #: 131 total cpu time spent up to now is 99.6 secs Computing kpt #: 132 total cpu time spent up to now is 100.0 secs Computing kpt #: 133 total cpu time spent up to now is 100.4 secs Computing kpt #: 134 total cpu time spent up to now is 100.9 secs Computing kpt #: 135 total cpu time spent up to now is 101.8 secs Computing kpt #: 136 total cpu time spent up to now is 102.4 secs Computing kpt #: 137 total cpu time spent up to now is 102.7 secs Computing kpt #: 138 total cpu time spent up to now is 103.1 secs Computing kpt #: 139 total cpu time spent up to now is 103.4 secs Computing kpt #: 140 total cpu time spent up to now is 103.7 secs Computing kpt #: 141 total cpu time spent up to now is 103.9 secs Computing kpt #: 142 total cpu time spent up to now is 104.2 secs Computing kpt #: 143 total cpu time spent up to now is 104.5 secs Computing kpt #: 144 total cpu time spent up to now is 104.8 secs Computing kpt #: 145 total cpu time spent up to now is 105.1 secs Computing kpt #: 146 total cpu time spent up to now is 105.3 secs Computing kpt #: 147 total cpu time spent up to now is 105.6 secs Computing kpt #: 148 total cpu time spent up to now is 105.8 secs Computing kpt #: 149 total cpu time spent up to now is 106.2 secs Computing kpt #: 150 total cpu time spent up to now is 106.9 secs Computing kpt #: 151 total cpu time spent up to now is 107.2 secs Computing kpt #: 152 total cpu time spent up to now is 107.5 secs Computing kpt #: 153 total cpu time spent up to now is 108.1 secs Computing kpt #: 154 total cpu time spent up to now is 108.5 secs Computing kpt #: 155 total cpu time spent up to now is 108.9 secs Computing kpt #: 156 total cpu time spent up to now is 109.3 secs Computing kpt #: 157 total cpu time spent up to now is 109.7 secs Computing kpt #: 158 total cpu time spent up to now is 110.1 secs Computing kpt #: 159 total cpu time spent up to now is 110.6 secs Computing kpt #: 160 total cpu time spent up to now is 111.1 secs Computing kpt #: 161 total cpu time spent up to now is 111.5 secs Computing kpt #: 162 total cpu time spent up to now is 111.8 secs Computing kpt #: 163 total cpu time spent up to now is 112.2 secs Computing kpt #: 164 total cpu time spent up to now is 112.5 secs Computing kpt #: 165 total cpu time spent up to now is 112.8 secs Computing kpt #: 166 total cpu time spent up to now is 113.2 secs Computing kpt #: 167 total cpu time spent up to now is 113.4 secs Computing kpt #: 168 total cpu time spent up to now is 113.7 secs Computing kpt #: 169 total cpu time spent up to now is 114.0 secs Computing kpt #: 170 total cpu time spent up to now is 114.3 secs Computing kpt #: 171 total cpu time spent up to now is 114.7 secs Computing kpt #: 172 total cpu time spent up to now is 115.0 secs Computing kpt #: 173 total cpu time spent up to now is 115.3 secs Computing kpt #: 174 total cpu time spent up to now is 115.6 secs Computing kpt #: 175 total cpu time spent up to now is 116.0 secs Computing kpt #: 176 total cpu time spent up to now is 116.3 secs Computing kpt #: 177 total cpu time spent up to now is 116.9 secs Computing kpt #: 178 total cpu time spent up to now is 117.3 secs Computing kpt #: 179 total cpu time spent up to now is 117.9 secs Computing kpt #: 180 total cpu time spent up to now is 118.3 secs Computing kpt #: 181 total cpu time spent up to now is 118.7 secs Computing kpt #: 182 total cpu time spent up to now is 119.4 secs Computing kpt #: 183 total cpu time spent up to now is 119.9 secs Computing kpt #: 184 total cpu time spent up to now is 120.3 secs Computing kpt #: 185 total cpu time spent up to now is 120.8 secs Computing kpt #: 186 total cpu time spent up to now is 121.5 secs Computing kpt #: 187 total cpu time spent up to now is 122.0 secs Computing kpt #: 188 total cpu time spent up to now is 122.4 secs Computing kpt #: 189 total cpu time spent up to now is 123.0 secs Computing kpt #: 190 total cpu time spent up to now is 123.4 secs Computing kpt #: 191 total cpu time spent up to now is 123.8 secs Computing kpt #: 192 total cpu time spent up to now is 124.3 secs Computing kpt #: 193 total cpu time spent up to now is 124.7 secs Computing kpt #: 194 total cpu time spent up to now is 125.2 secs Computing kpt #: 195 total cpu time spent up to now is 125.5 secs Computing kpt #: 196 total cpu time spent up to now is 126.3 secs Computing kpt #: 197 total cpu time spent up to now is 126.7 secs Computing kpt #: 198 total cpu time spent up to now is 127.3 secs Computing kpt #: 199 total cpu time spent up to now is 127.7 secs Computing kpt #: 200 total cpu time spent up to now is 128.1 secs Computing kpt #: 201 total cpu time spent up to now is 128.5 secs Computing kpt #: 202 total cpu time spent up to now is 128.7 secs Computing kpt #: 203 total cpu time spent up to now is 129.3 secs Computing kpt #: 204 total cpu time spent up to now is 129.7 secs Computing kpt #: 205 total cpu time spent up to now is 129.9 secs Computing kpt #: 206 total cpu time spent up to now is 130.2 secs Computing kpt #: 207 total cpu time spent up to now is 130.5 secs Computing kpt #: 208 total cpu time spent up to now is 130.8 secs Computing kpt #: 209 total cpu time spent up to now is 131.2 secs Computing kpt #: 210 total cpu time spent up to now is 131.5 secs Computing kpt #: 211 total cpu time spent up to now is 132.1 secs Computing kpt #: 212 total cpu time spent up to now is 132.7 secs Computing kpt #: 213 total cpu time spent up to now is 133.1 secs Computing kpt #: 214 total cpu time spent up to now is 133.5 secs Computing kpt #: 215 total cpu time spent up to now is 133.8 secs Computing kpt #: 216 total cpu time spent up to now is 134.2 secs Computing kpt #: 217 total cpu time spent up to now is 134.4 secs Computing kpt #: 218 total cpu time spent up to now is 134.7 secs Computing kpt #: 219 total cpu time spent up to now is 135.3 secs Computing kpt #: 220 total cpu time spent up to now is 135.6 secs Computing kpt #: 221 total cpu time spent up to now is 135.9 secs Computing kpt #: 222 total cpu time spent up to now is 136.1 secs Computing kpt #: 223 total cpu time spent up to now is 136.4 secs Computing kpt #: 224 total cpu time spent up to now is 136.8 secs Computing kpt #: 225 total cpu time spent up to now is 137.4 secs Computing kpt #: 226 total cpu time spent up to now is 137.8 secs Computing kpt #: 227 total cpu time spent up to now is 138.3 secs Computing kpt #: 228 total cpu time spent up to now is 139.0 secs Computing kpt #: 229 total cpu time spent up to now is 139.7 secs Computing kpt #: 230 total cpu time spent up to now is 140.1 secs Computing kpt #: 231 total cpu time spent up to now is 140.6 secs Computing kpt #: 232 total cpu time spent up to now is 141.0 secs Computing kpt #: 233 total cpu time spent up to now is 141.4 secs Computing kpt #: 234 total cpu time spent up to now is 141.8 secs Computing kpt #: 235 total cpu time spent up to now is 142.4 secs Computing kpt #: 236 total cpu time spent up to now is 143.1 secs Computing kpt #: 237 total cpu time spent up to now is 143.6 secs Computing kpt #: 238 total cpu time spent up to now is 144.0 secs Computing kpt #: 239 total cpu time spent up to now is 144.5 secs Computing kpt #: 240 total cpu time spent up to now is 145.0 secs Computing kpt #: 241 total cpu time spent up to now is 145.4 secs Computing kpt #: 242 total cpu time spent up to now is 145.9 secs Computing kpt #: 243 total cpu time spent up to now is 146.3 secs Computing kpt #: 244 total cpu time spent up to now is 146.7 secs Computing kpt #: 245 total cpu time spent up to now is 147.1 secs Computing kpt #: 246 total cpu time spent up to now is 147.6 secs Computing kpt #: 247 total cpu time spent up to now is 148.0 secs Computing kpt #: 248 total cpu time spent up to now is 148.4 secs Computing kpt #: 249 total cpu time spent up to now is 149.0 secs Computing kpt #: 250 total cpu time spent up to now is 149.6 secs Computing kpt #: 251 total cpu time spent up to now is 150.2 secs Computing kpt #: 252 total cpu time spent up to now is 150.7 secs Computing kpt #: 253 total cpu time spent up to now is 151.1 secs Computing kpt #: 254 total cpu time spent up to now is 151.7 secs Computing kpt #: 255 total cpu time spent up to now is 152.3 secs Computing kpt #: 256 total cpu time spent up to now is 153.1 secs Computing kpt #: 257 total cpu time spent up to now is 153.7 secs Computing kpt #: 258 total cpu time spent up to now is 154.2 secs Computing kpt #: 259 total cpu time spent up to now is 154.6 secs Computing kpt #: 260 total cpu time spent up to now is 155.2 secs Computing kpt #: 261 total cpu time spent up to now is 155.8 secs Computing kpt #: 262 total cpu time spent up to now is 156.3 secs Computing kpt #: 263 total cpu time spent up to now is 156.8 secs Computing kpt #: 264 total cpu time spent up to now is 157.3 secs Computing kpt #: 265 total cpu time spent up to now is 158.1 secs Computing kpt #: 266 total cpu time spent up to now is 159.0 secs Computing kpt #: 267 total cpu time spent up to now is 159.7 secs Computing kpt #: 268 total cpu time spent up to now is 160.2 secs Computing kpt #: 269 total cpu time spent up to now is 160.9 secs Computing kpt #: 270 total cpu time spent up to now is 161.6 secs Computing kpt #: 271 total cpu time spent up to now is 162.2 secs Computing kpt #: 272 total cpu time spent up to now is 162.9 secs Computing kpt #: 273 total cpu time spent up to now is 163.6 secs Computing kpt #: 274 total cpu time spent up to now is 164.1 secs Computing kpt #: 275 total cpu time spent up to now is 164.6 secs Computing kpt #: 276 total cpu time spent up to now is 165.2 secs Computing kpt #: 277 total cpu time spent up to now is 166.0 secs Computing kpt #: 278 total cpu time spent up to now is 166.5 secs Computing kpt #: 279 total cpu time spent up to now is 166.9 secs Computing kpt #: 280 total cpu time spent up to now is 167.4 secs Computing kpt #: 281 total cpu time spent up to now is 167.9 secs Computing kpt #: 282 total cpu time spent up to now is 168.3 secs Computing kpt #: 283 total cpu time spent up to now is 168.8 secs Computing kpt #: 284 total cpu time spent up to now is 169.4 secs Computing kpt #: 285 total cpu time spent up to now is 170.0 secs Computing kpt #: 286 total cpu time spent up to now is 170.5 secs Computing kpt #: 287 total cpu time spent up to now is 171.0 secs Computing kpt #: 288 total cpu time spent up to now is 171.6 secs Computing kpt #: 289 total cpu time spent up to now is 172.1 secs Computing kpt #: 290 total cpu time spent up to now is 172.6 secs Computing kpt #: 291 total cpu time spent up to now is 173.4 secs Computing kpt #: 292 total cpu time spent up to now is 173.9 secs Computing kpt #: 293 total cpu time spent up to now is 174.3 secs Computing kpt #: 294 total cpu time spent up to now is 174.9 secs Computing kpt #: 295 total cpu time spent up to now is 175.4 secs Computing kpt #: 296 total cpu time spent up to now is 176.1 secs Computing kpt #: 297 total cpu time spent up to now is 176.6 secs Computing kpt #: 298 total cpu time spent up to now is 177.0 secs Computing kpt #: 299 total cpu time spent up to now is 177.5 secs Computing kpt #: 300 total cpu time spent up to now is 177.9 secs Computing kpt #: 301 total cpu time spent up to now is 178.4 secs Computing kpt #: 302 total cpu time spent up to now is 178.8 secs Computing kpt #: 303 total cpu time spent up to now is 179.2 secs Computing kpt #: 304 total cpu time spent up to now is 179.7 secs Computing kpt #: 305 total cpu time spent up to now is 180.2 secs Computing kpt #: 306 total cpu time spent up to now is 180.9 secs Computing kpt #: 307 total cpu time spent up to now is 181.3 secs Computing kpt #: 308 total cpu time spent up to now is 181.7 secs Computing kpt #: 309 total cpu time spent up to now is 182.2 secs Computing kpt #: 310 total cpu time spent up to now is 182.6 secs Computing kpt #: 311 total cpu time spent up to now is 183.0 secs Computing kpt #: 312 total cpu time spent up to now is 183.4 secs Computing kpt #: 313 total cpu time spent up to now is 183.9 secs Computing kpt #: 314 total cpu time spent up to now is 184.3 secs Computing kpt #: 315 total cpu time spent up to now is 184.7 secs Computing kpt #: 316 total cpu time spent up to now is 185.1 secs Computing kpt #: 317 total cpu time spent up to now is 185.5 secs Computing kpt #: 318 total cpu time spent up to now is 185.9 secs Computing kpt #: 319 total cpu time spent up to now is 186.6 secs Computing kpt #: 320 total cpu time spent up to now is 187.2 secs Computing kpt #: 321 total cpu time spent up to now is 187.7 secs Computing kpt #: 322 total cpu time spent up to now is 188.0 secs Computing kpt #: 323 total cpu time spent up to now is 188.4 secs Computing kpt #: 324 total cpu time spent up to now is 188.7 secs Computing kpt #: 325 total cpu time spent up to now is 189.1 secs Computing kpt #: 326 total cpu time spent up to now is 189.4 secs Computing kpt #: 327 total cpu time spent up to now is 189.8 secs Computing kpt #: 328 total cpu time spent up to now is 190.1 secs Computing kpt #: 329 total cpu time spent up to now is 190.6 secs Computing kpt #: 330 total cpu time spent up to now is 191.1 secs Computing kpt #: 331 total cpu time spent up to now is 191.7 secs Computing kpt #: 332 total cpu time spent up to now is 192.2 secs Computing kpt #: 333 total cpu time spent up to now is 192.7 secs Computing kpt #: 334 total cpu time spent up to now is 193.2 secs Computing kpt #: 335 total cpu time spent up to now is 193.6 secs Computing kpt #: 336 total cpu time spent up to now is 194.0 secs Computing kpt #: 337 total cpu time spent up to now is 194.8 secs Computing kpt #: 338 total cpu time spent up to now is 195.4 secs Computing kpt #: 339 total cpu time spent up to now is 195.8 secs Computing kpt #: 340 total cpu time spent up to now is 196.4 secs Computing kpt #: 341 total cpu time spent up to now is 196.9 secs Computing kpt #: 342 total cpu time spent up to now is 197.4 secs Computing kpt #: 343 total cpu time spent up to now is 197.9 secs Computing kpt #: 344 total cpu time spent up to now is 198.4 secs Computing kpt #: 345 total cpu time spent up to now is 198.9 secs Computing kpt #: 346 total cpu time spent up to now is 199.5 secs Computing kpt #: 347 total cpu time spent up to now is 200.0 secs Computing kpt #: 348 total cpu time spent up to now is 200.5 secs Computing kpt #: 349 total cpu time spent up to now is 200.9 secs Computing kpt #: 350 total cpu time spent up to now is 201.4 secs Computing kpt #: 351 total cpu time spent up to now is 201.8 secs Computing kpt #: 352 total cpu time spent up to now is 202.2 secs Computing kpt #: 353 total cpu time spent up to now is 202.8 secs Computing kpt #: 354 total cpu time spent up to now is 203.4 secs Computing kpt #: 355 total cpu time spent up to now is 204.0 secs Computing kpt #: 356 total cpu time spent up to now is 204.6 secs Computing kpt #: 357 total cpu time spent up to now is 205.0 secs Computing kpt #: 358 total cpu time spent up to now is 205.6 secs Computing kpt #: 359 total cpu time spent up to now is 206.3 secs Computing kpt #: 360 total cpu time spent up to now is 207.0 secs Computing kpt #: 361 total cpu time spent up to now is 207.5 secs Computing kpt #: 362 total cpu time spent up to now is 208.1 secs Computing kpt #: 363 total cpu time spent up to now is 208.6 secs Computing kpt #: 364 total cpu time spent up to now is 209.2 secs Computing kpt #: 365 total cpu time spent up to now is 209.6 secs Computing kpt #: 366 total cpu time spent up to now is 210.1 secs Computing kpt #: 367 total cpu time spent up to now is 210.5 secs Computing kpt #: 368 total cpu time spent up to now is 210.9 secs Computing kpt #: 369 total cpu time spent up to now is 211.3 secs Computing kpt #: 370 total cpu time spent up to now is 211.8 secs Computing kpt #: 371 total cpu time spent up to now is 212.2 secs Computing kpt #: 372 total cpu time spent up to now is 212.9 secs Computing kpt #: 373 total cpu time spent up to now is 213.4 secs Computing kpt #: 374 total cpu time spent up to now is 213.9 secs Computing kpt #: 375 total cpu time spent up to now is 214.3 secs Computing kpt #: 376 total cpu time spent up to now is 215.0 secs Computing kpt #: 377 total cpu time spent up to now is 216.0 secs Computing kpt #: 378 total cpu time spent up to now is 216.6 secs Computing kpt #: 379 total cpu time spent up to now is 217.0 secs Computing kpt #: 380 total cpu time spent up to now is 217.5 secs Computing kpt #: 381 total cpu time spent up to now is 217.9 secs Computing kpt #: 382 total cpu time spent up to now is 218.4 secs Computing kpt #: 383 total cpu time spent up to now is 218.9 secs Computing kpt #: 384 total cpu time spent up to now is 219.3 secs Computing kpt #: 385 total cpu time spent up to now is 219.9 secs Computing kpt #: 386 total cpu time spent up to now is 220.3 secs Computing kpt #: 387 total cpu time spent up to now is 220.8 secs Computing kpt #: 388 total cpu time spent up to now is 221.5 secs Computing kpt #: 389 total cpu time spent up to now is 222.1 secs Computing kpt #: 390 total cpu time spent up to now is 222.5 secs Computing kpt #: 391 total cpu time spent up to now is 223.2 secs Computing kpt #: 392 total cpu time spent up to now is 223.7 secs Computing kpt #: 393 total cpu time spent up to now is 224.3 secs Computing kpt #: 394 total cpu time spent up to now is 224.8 secs Computing kpt #: 395 total cpu time spent up to now is 225.3 secs Computing kpt #: 396 total cpu time spent up to now is 225.7 secs Computing kpt #: 397 total cpu time spent up to now is 226.2 secs Computing kpt #: 398 total cpu time spent up to now is 226.6 secs Computing kpt #: 399 total cpu time spent up to now is 227.4 secs Computing kpt #: 400 total cpu time spent up to now is 227.9 secs Computing kpt #: 401 total cpu time spent up to now is 228.5 secs Computing kpt #: 402 total cpu time spent up to now is 229.0 secs Computing kpt #: 403 total cpu time spent up to now is 229.5 secs Computing kpt #: 404 total cpu time spent up to now is 230.0 secs Computing kpt #: 405 total cpu time spent up to now is 230.7 secs Computing kpt #: 406 total cpu time spent up to now is 231.3 secs Computing kpt #: 407 total cpu time spent up to now is 231.8 secs Computing kpt #: 408 total cpu time spent up to now is 232.2 secs Computing kpt #: 409 total cpu time spent up to now is 232.7 secs Computing kpt #: 410 total cpu time spent up to now is 233.1 secs Computing kpt #: 411 total cpu time spent up to now is 233.6 secs Computing kpt #: 412 total cpu time spent up to now is 234.0 secs Computing kpt #: 413 total cpu time spent up to now is 234.5 secs Computing kpt #: 414 total cpu time spent up to now is 235.0 secs Computing kpt #: 415 total cpu time spent up to now is 235.5 secs Computing kpt #: 416 total cpu time spent up to now is 235.9 secs Computing kpt #: 417 total cpu time spent up to now is 236.3 secs Computing kpt #: 418 total cpu time spent up to now is 236.9 secs Computing kpt #: 419 total cpu time spent up to now is 237.5 secs Computing kpt #: 420 total cpu time spent up to now is 238.1 secs Computing kpt #: 421 total cpu time spent up to now is 238.5 secs Computing kpt #: 422 total cpu time spent up to now is 239.1 secs Computing kpt #: 423 total cpu time spent up to now is 239.5 secs Computing kpt #: 424 total cpu time spent up to now is 239.9 secs Computing kpt #: 425 total cpu time spent up to now is 240.3 secs Computing kpt #: 426 total cpu time spent up to now is 240.7 secs Computing kpt #: 427 total cpu time spent up to now is 241.1 secs Computing kpt #: 428 total cpu time spent up to now is 241.5 secs Computing kpt #: 429 total cpu time spent up to now is 241.9 secs ethr = 6.25E-11, avg # of iterations = 37.2 total cpu time spent up to now is 242.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -38.6852 -38.6852 -17.5552 -17.5552 -17.0464 -17.0464 -17.0464 -17.0464 -3.7916 -3.7916 6.9996 6.9996 7.0097 7.0097 7.0097 7.0097 12.1519 12.1519 13.2632 13.2632 13.2632 13.2632 16.8358 16.8358 k = 0.0077-0.0044 0.0063 ( 1235 PWs) bands (ev): -38.6851 -38.6851 -17.5553 -17.5553 -17.0466 -17.0466 -17.0465 -17.0465 -3.7908 -3.7908 6.9992 6.9992 7.0088 7.0088 7.0104 7.0104 12.1558 12.1558 13.2612 13.2612 13.2637 13.2637 16.8350 16.8350 k = 0.0154-0.0089 0.0126 ( 1227 PWs) bands (ev): -38.6850 -38.6850 -17.5556 -17.5556 -17.0471 -17.0471 -17.0466 -17.0466 -3.7886 -3.7886 6.9961 6.9961 7.0078 7.0078 7.0121 7.0121 12.1675 12.1675 13.2553 13.2553 13.2652 13.2652 16.8333 16.8333 k = 0.0231-0.0133 0.0188 ( 1227 PWs) bands (ev): -38.6849 -38.6849 -17.5562 -17.5562 -17.0481 -17.0481 -17.0470 -17.0470 -3.7849 -3.7849 6.9876 6.9876 7.0092 7.0092 7.0148 7.0148 12.1869 12.1869 13.2455 13.2455 13.2677 13.2677 16.8307 16.8307 k = 0.0308-0.0178 0.0251 ( 1219 PWs) bands (ev): -38.6846 -38.6846 -17.5571 -17.5571 -17.0494 -17.0494 -17.0475 -17.0475 -3.7796 -3.7796 6.9745 6.9745 7.0128 7.0128 7.0188 7.0188 12.2138 12.2138 13.2319 13.2319 13.2712 13.2712 16.8272 16.8272 k = 0.0385-0.0222 0.0314 ( 1211 PWs) bands (ev): -38.6843 -38.6843 -17.5581 -17.5581 -17.0511 -17.0511 -17.0482 -17.0482 -3.7729 -3.7729 6.9575 6.9575 7.0178 7.0178 7.0240 7.0240 12.2481 12.2481 13.2144 13.2144 13.2757 13.2757 16.8226 16.8226 k = 0.0462-0.0266 0.0377 ( 1211 PWs) bands (ev): -38.6840 -38.6840 -17.5595 -17.5595 -17.0532 -17.0532 -17.0490 -17.0490 -3.7648 -3.7648 6.9369 6.9369 7.0238 7.0238 7.0301 7.0301 12.2896 12.2896 13.1933 13.1933 13.2812 13.2812 16.8170 16.8170 k = 0.0538-0.0311 0.0440 ( 1203 PWs) bands (ev): -38.6836 -38.6836 -17.5611 -17.5611 -17.0556 -17.0556 -17.0500 -17.0500 -3.7553 -3.7553 6.9131 6.9131 7.0312 7.0312 7.0374 7.0374 12.3378 12.3378 13.1686 13.1686 13.2876 13.2876 16.8103 16.8103 k = 0.0615-0.0355 0.0502 ( 1203 PWs) bands (ev): -38.6831 -38.6831 -17.5630 -17.5630 -17.0585 -17.0585 -17.0511 -17.0511 -3.7443 -3.7443 6.8863 6.8863 7.0395 7.0395 7.0456 7.0456 12.3926 12.3926 13.1406 13.1406 13.2950 13.2950 16.8024 16.8024 k = 0.0692-0.0400 0.0565 ( 1203 PWs) bands (ev): -38.6825 -38.6825 -17.5651 -17.5651 -17.0617 -17.0617 -17.0524 -17.0524 -3.7320 -3.7320 6.8568 6.8568 7.0489 7.0489 7.0549 7.0549 12.4535 12.4535 13.1093 13.1093 13.3033 13.3033 16.7932 16.7932 k = 0.0769-0.0444 0.0628 ( 1203 PWs) bands (ev): -38.6819 -38.6819 -17.5675 -17.5675 -17.0652 -17.0652 -17.0538 -17.0538 -3.7183 -3.7183 6.8249 6.8249 7.0593 7.0593 7.0653 7.0653 12.5200 12.5200 13.0753 13.0753 13.3126 13.3126 16.7828 16.7828 k = 0.0846-0.0489 0.0691 ( 1203 PWs) bands (ev): -38.6812 -38.6812 -17.5701 -17.5701 -17.0691 -17.0691 -17.0553 -17.0553 -3.7034 -3.7034 6.7908 6.7908 7.0709 7.0709 7.0768 7.0768 12.5911 12.5911 13.0391 13.0391 13.3227 13.3227 16.7709 16.7709 k = 0.0923-0.0533 0.0754 ( 1199 PWs) bands (ev): -38.6805 -38.6805 -17.5729 -17.5729 -17.0733 -17.0733 -17.0570 -17.0570 -3.6871 -3.6871 6.7550 6.7550 7.0836 7.0836 7.0893 7.0893 12.6655 12.6655 13.0021 13.0021 13.3338 13.3338 16.7576 16.7576 k = 0.1000-0.0577 0.0816 ( 1199 PWs) bands (ev): -38.6797 -38.6797 -17.5760 -17.5760 -17.0777 -17.0777 -17.0588 -17.0588 -3.6697 -3.6697 6.7175 6.7175 7.0973 7.0973 7.1029 7.1029 12.7391 12.7391 12.9681 12.9681 13.3458 13.3458 16.7427 16.7427 k = 0.1077-0.0622 0.0879 ( 1195 PWs) bands (ev): -38.6789 -38.6789 -17.5792 -17.5792 -17.0825 -17.0825 -17.0607 -17.0607 -3.6511 -3.6511 6.6788 6.6788 7.1120 7.1120 7.1175 7.1175 12.7960 12.7960 12.9528 12.9528 13.3586 13.3586 16.7262 16.7262 k = 0.1154-0.0666 0.0942 ( 1195 PWs) bands (ev): -38.6780 -38.6780 -17.5827 -17.5827 -17.0875 -17.0875 -17.0628 -17.0628 -3.6315 -3.6315 6.6390 6.6390 7.1278 7.1278 7.1331 7.1331 12.8019 12.8019 12.9905 12.9905 13.3722 13.3722 16.7079 16.7079 k = 0.1231-0.0711 0.1005 ( 1195 PWs) bands (ev): -38.6771 -38.6771 -17.5864 -17.5864 -17.0927 -17.0927 -17.0649 -17.0649 -3.6107 -3.6107 6.5984 6.5984 7.1446 7.1446 7.1498 7.1498 12.7678 12.7678 13.0697 13.0697 13.3867 13.3867 16.6879 16.6879 k = 0.1308-0.0755 0.1068 ( 1187 PWs) bands (ev): -38.6761 -38.6761 -17.5903 -17.5903 -17.0982 -17.0982 -17.0672 -17.0672 -3.5890 -3.5890 6.5573 6.5573 7.1627 7.1627 7.1677 7.1677 12.7205 12.7205 13.1638 13.1638 13.4019 13.4019 16.6661 16.6661 k = 0.1385-0.0799 0.1131 ( 1187 PWs) bands (ev): -38.6751 -38.6751 -17.5944 -17.5944 -17.1039 -17.1039 -17.0696 -17.0696 -3.5663 -3.5663 6.5158 6.5158 7.1815 7.1815 7.1863 7.1863 12.6676 12.6676 13.2648 13.2648 13.4179 13.4179 16.6423 16.6423 k = 0.1462-0.0844 0.1193 ( 1187 PWs) bands (ev): -38.6740 -38.6740 -17.5987 -17.5987 -17.1098 -17.1098 -17.0721 -17.0721 -3.5428 -3.5428 6.4743 6.4743 7.2012 7.2012 7.2059 7.2059 12.6116 12.6116 13.3701 13.3701 13.4347 13.4347 16.6165 16.6165 k = 0.1538-0.0888 0.1256 ( 1187 PWs) bands (ev): -38.6729 -38.6729 -17.6032 -17.6032 -17.1159 -17.1159 -17.0746 -17.0746 -3.5184 -3.5184 6.4328 6.4328 7.2220 7.2220 7.2265 7.2265 12.5532 12.5532 13.4517 13.4517 13.4793 13.4793 16.5886 16.5886 k = 0.1615-0.0933 0.1319 ( 1187 PWs) bands (ev): -38.6717 -38.6717 -17.6078 -17.6078 -17.1221 -17.1221 -17.0773 -17.0773 -3.4933 -3.4933 6.3917 6.3917 7.2436 7.2436 7.2480 7.2480 12.4932 12.4932 13.4700 13.4700 13.5904 13.5904 16.5587 16.5587 k = 0.1692-0.0977 0.1382 ( 1179 PWs) bands (ev): -38.6705 -38.6705 -17.6126 -17.6126 -17.1285 -17.1285 -17.0800 -17.0800 -3.4676 -3.4676 6.3510 6.3510 7.2664 7.2664 7.2707 7.2707 12.4318 12.4318 13.4888 13.4888 13.7036 13.7036 16.5268 16.5268 k = 0.1769-0.1021 0.1445 ( 1179 PWs) bands (ev): -38.6693 -38.6693 -17.6176 -17.6176 -17.1349 -17.1349 -17.0828 -17.0828 -3.4412 -3.4412 6.3109 6.3109 7.2898 7.2898 7.2940 7.2940 12.3693 12.3693 13.5081 13.5081 13.8182 13.8182 16.4927 16.4927 k = 0.1846-0.1066 0.1507 ( 1179 PWs) bands (ev): -38.6681 -38.6681 -17.6227 -17.6227 -17.1415 -17.1415 -17.0857 -17.0857 -3.4143 -3.4143 6.2715 6.2715 7.3141 7.3141 7.3182 7.3182 12.3061 12.3061 13.5279 13.5279 13.9337 13.9337 16.4565 16.4565 k = 0.1923-0.1110 0.1570 ( 1179 PWs) bands (ev): -38.6668 -38.6668 -17.6279 -17.6279 -17.1482 -17.1482 -17.0886 -17.0886 -3.3869 -3.3869 6.2330 6.2330 7.3392 7.3392 7.3433 7.3433 12.2423 12.2423 13.5483 13.5483 14.0492 14.0492 16.4182 16.4182 k = 0.2000-0.1155 0.1633 ( 1186 PWs) bands (ev): -38.6655 -38.6655 -17.6334 -17.6334 -17.1550 -17.1550 -17.0917 -17.0917 -3.3592 -3.3592 6.1955 6.1955 7.3649 7.3649 7.3690 7.3690 12.1782 12.1782 13.5691 13.5691 14.1641 14.1641 16.3778 16.3778 k = 0.2077-0.1199 0.1696 ( 1190 PWs) bands (ev): -38.6642 -38.6642 -17.6389 -17.6389 -17.1618 -17.1618 -17.0947 -17.0947 -3.3311 -3.3311 6.1590 6.1590 7.3915 7.3915 7.3956 7.3956 12.1140 12.1140 13.5904 13.5904 14.2775 14.2775 16.3354 16.3354 k = 0.2154-0.1244 0.1759 ( 1190 PWs) bands (ev): -38.6628 -38.6628 -17.6445 -17.6445 -17.1686 -17.1686 -17.0978 -17.0978 -3.3028 -3.3028 6.1237 6.1237 7.4188 7.4188 7.4230 7.4230 12.0499 12.0499 13.6121 13.6121 14.3882 14.3882 16.2911 16.2911 k = 0.2231-0.1288 0.1821 ( 1182 PWs) bands (ev): -38.6615 -38.6615 -17.6501 -17.6501 -17.1754 -17.1754 -17.1008 -17.1008 -3.2743 -3.2743 6.0899 6.0899 7.4469 7.4469 7.4512 7.4512 11.9863 11.9863 13.6341 13.6341 14.4950 14.4950 16.2450 16.2450 k = 0.2308-0.1332 0.1884 ( 1182 PWs) bands (ev): -38.6601 -38.6601 -17.6558 -17.6558 -17.1822 -17.1822 -17.1040 -17.1040 -3.2457 -3.2457 6.0571 6.0571 7.4755 7.4755 7.4799 7.4799 11.9231 11.9231 13.6564 13.6564 14.5964 14.5964 16.1970 16.1970 k = 0.2385-0.1377 0.1947 ( 1182 PWs) bands (ev): -38.6587 -38.6587 -17.6616 -17.6616 -17.1890 -17.1890 -17.1071 -17.1071 -3.2171 -3.2171 6.0257 6.0257 7.5048 7.5048 7.5093 7.5093 11.8606 11.8606 13.6789 13.6789 14.6903 14.6903 16.1474 16.1474 k = 0.2462-0.1421 0.2010 ( 1174 PWs) bands (ev): -38.6573 -38.6573 -17.6674 -17.6674 -17.1957 -17.1957 -17.1103 -17.1103 -3.1886 -3.1886 5.9958 5.9958 7.5347 7.5347 7.5394 7.5394 11.7991 11.7991 13.7017 13.7017 14.7748 14.7748 16.0963 16.0963 k = 0.2538-0.1466 0.2073 ( 1174 PWs) bands (ev): -38.6560 -38.6560 -17.6733 -17.6733 -17.2023 -17.2023 -17.1134 -17.1134 -3.1601 -3.1601 5.9673 5.9673 7.5649 7.5649 7.5699 7.5699 11.7386 11.7386 13.7246 13.7246 14.8476 14.8476 16.0437 16.0437 k = 0.2615-0.1510 0.2135 ( 1182 PWs) bands (ev): -38.6546 -38.6546 -17.6793 -17.6793 -17.2090 -17.2090 -17.1166 -17.1166 -3.1320 -3.1320 5.9401 5.9401 7.5955 7.5955 7.6006 7.6006 11.6792 11.6792 13.7475 13.7475 14.9066 14.9066 15.9898 15.9898 k = 0.2692-0.1554 0.2198 ( 1182 PWs) bands (ev): -38.6532 -38.6532 -17.6852 -17.6852 -17.2155 -17.2155 -17.1198 -17.1198 -3.1040 -3.1040 5.9144 5.9144 7.6265 7.6265 7.6320 7.6320 11.6213 11.6213 13.7706 13.7706 14.9502 14.9502 15.9349 15.9349 k = 0.2769-0.1599 0.2261 ( 1182 PWs) bands (ev): -38.6519 -38.6519 -17.6911 -17.6911 -17.2219 -17.2219 -17.1229 -17.1229 -3.0764 -3.0764 5.8903 5.8903 7.6578 7.6578 7.6636 7.6636 11.5648 11.5648 13.7936 13.7936 14.9778 14.9778 15.8790 15.8790 k = 0.2846-0.1643 0.2324 ( 1182 PWs) bands (ev): -38.6505 -38.6505 -17.6970 -17.6970 -17.2282 -17.2282 -17.1260 -17.1260 -3.0491 -3.0491 5.8676 5.8676 7.6894 7.6894 7.6955 7.6955 11.5100 11.5100 13.8165 13.8165 14.9895 14.9895 15.8223 15.8223 k = 0.2923-0.1688 0.2387 ( 1182 PWs) bands (ev): -38.6492 -38.6492 -17.7028 -17.7028 -17.2344 -17.2344 -17.1291 -17.1291 -3.0223 -3.0223 5.8464 5.8464 7.7212 7.7212 7.7276 7.7276 11.4570 11.4570 13.8393 13.8393 14.9867 14.9867 15.7651 15.7651 k = 0.3000-0.1732 0.2449 ( 1182 PWs) bands (ev): -38.6478 -38.6478 -17.7086 -17.7086 -17.2404 -17.2404 -17.1321 -17.1321 -2.9961 -2.9961 5.8266 5.8266 7.7531 7.7531 7.7598 7.7598 11.4059 11.4059 13.8620 13.8620 14.9710 14.9710 15.7074 15.7074 k = 0.3077-0.1776 0.2512 ( 1182 PWs) bands (ev): -38.6465 -38.6465 -17.7143 -17.7143 -17.2463 -17.2463 -17.1351 -17.1351 -2.9704 -2.9704 5.8082 5.8082 7.7850 7.7850 7.7920 7.7920 11.3568 11.3568 13.8844 13.8844 14.9444 14.9444 15.6496 15.6496 k = 0.3154-0.1821 0.2575 ( 1178 PWs) bands (ev): -38.6453 -38.6453 -17.7199 -17.7199 -17.2520 -17.2520 -17.1380 -17.1380 -2.9453 -2.9453 5.7912 5.7912 7.8170 7.8170 7.8244 7.8244 11.3098 11.3098 13.9065 13.9065 14.9090 14.9090 15.5917 15.5917 k = 0.3231-0.1865 0.2638 ( 1174 PWs) bands (ev): -38.6440 -38.6440 -17.7254 -17.7254 -17.2575 -17.2575 -17.1409 -17.1409 -2.9209 -2.9209 5.7756 5.7756 7.8488 7.8488 7.8565 7.8565 11.2649 11.2649 13.9283 13.9283 14.8665 14.8665 15.5341 15.5341 k = 0.3308-0.1910 0.2701 ( 1174 PWs) bands (ev): -38.6428 -38.6428 -17.7309 -17.7309 -17.2629 -17.2629 -17.1436 -17.1436 -2.8973 -2.8973 5.7612 5.7612 7.8802 7.8802 7.8883 7.8883 11.2223 11.2223 13.9496 13.9496 14.8184 14.8184 15.4769 15.4769 k = 0.3385-0.1954 0.2764 ( 1174 PWs) bands (ev): -38.6416 -38.6416 -17.7362 -17.7362 -17.2681 -17.2681 -17.1464 -17.1464 -2.8744 -2.8744 5.7481 5.7481 7.9114 7.9114 7.9198 7.9198 11.1819 11.1819 13.9705 13.9705 14.7661 14.7661 15.4203 15.4203 k = 0.3462-0.1999 0.2826 ( 1174 PWs) bands (ev): -38.6404 -38.6404 -17.7413 -17.7413 -17.2731 -17.2731 -17.1490 -17.1490 -2.8523 -2.8523 5.7362 5.7362 7.9420 7.9420 7.9508 7.9508 11.1438 11.1438 13.9909 13.9909 14.7108 14.7108 15.3645 15.3645 k = 0.3538-0.2043 0.2889 ( 1186 PWs) bands (ev): -38.6393 -38.6393 -17.7464 -17.7464 -17.2780 -17.2780 -17.1516 -17.1516 -2.8312 -2.8312 5.7253 5.7253 7.9722 7.9722 7.9813 7.9813 11.1081 11.1081 14.0107 14.0107 14.6534 14.6534 15.3097 15.3097 k = 0.3615-0.2087 0.2952 ( 1182 PWs) bands (ev): -38.6382 -38.6382 -17.7512 -17.7512 -17.2825 -17.2825 -17.1541 -17.1541 -2.8109 -2.8109 5.7156 5.7156 8.0018 8.0018 8.0112 8.0112 11.0748 11.0748 14.0299 14.0299 14.5947 14.5947 15.2562 15.2562 k = 0.3692-0.2132 0.3015 ( 1182 PWs) bands (ev): -38.6372 -38.6372 -17.7558 -17.7558 -17.2869 -17.2869 -17.1564 -17.1564 -2.7915 -2.7915 5.7069 5.7069 8.0305 8.0305 8.0403 8.0403 11.0438 11.0438 14.0484 14.0484 14.5355 14.5355 15.2042 15.2042 k = 0.3769-0.2176 0.3078 ( 1190 PWs) bands (ev): -38.6362 -38.6362 -17.7603 -17.7603 -17.2911 -17.2911 -17.1587 -17.1587 -2.7732 -2.7732 5.6992 5.6992 8.0585 8.0585 8.0686 8.0686 11.0151 11.0151 14.0661 14.0661 14.4764 14.4764 15.1538 15.1538 k = 0.3846-0.2221 0.3140 ( 1190 PWs) bands (ev): -38.6353 -38.6353 -17.7646 -17.7646 -17.2950 -17.2950 -17.1609 -17.1609 -2.7557 -2.7557 5.6923 5.6923 8.0854 8.0854 8.0959 8.0959 10.9888 10.9888 14.0831 14.0831 14.4180 14.4180 15.1053 15.1053 k = 0.3923-0.2265 0.3203 ( 1190 PWs) bands (ev): -38.6344 -38.6344 -17.7686 -17.7686 -17.2987 -17.2987 -17.1629 -17.1629 -2.7393 -2.7393 5.6863 5.6863 8.1114 8.1114 8.1221 8.1221 10.9648 10.9648 14.0992 14.0992 14.3608 14.3608 15.0589 15.0589 k = 0.4000-0.2309 0.3266 ( 1190 PWs) bands (ev): -38.6336 -38.6336 -17.7724 -17.7724 -17.3022 -17.3022 -17.1648 -17.1648 -2.7240 -2.7240 5.6810 5.6810 8.1361 8.1361 8.1471 8.1471 10.9430 10.9430 14.1144 14.1144 14.3053 14.3053 15.0147 15.0147 k = 0.4077-0.2354 0.3329 ( 1190 PWs) bands (ev): -38.6328 -38.6328 -17.7760 -17.7760 -17.3054 -17.3054 -17.1666 -17.1666 -2.7097 -2.7097 5.6764 5.6764 8.1595 8.1595 8.1708 8.1708 10.9233 10.9233 14.1287 14.1287 14.2520 14.2520 14.9729 14.9729 k = 0.4154-0.2398 0.3392 ( 1190 PWs) bands (ev): -38.6320 -38.6320 -17.7793 -17.7793 -17.3084 -17.3084 -17.1683 -17.1683 -2.6965 -2.6965 5.6725 5.6725 8.1816 8.1816 8.1931 8.1931 10.9057 10.9057 14.1420 14.1420 14.2014 14.2014 14.9338 14.9338 k = 0.4231-0.2443 0.3454 ( 1170 PWs) bands (ev): -38.6314 -38.6314 -17.7822 -17.7822 -17.3110 -17.3110 -17.1696 -17.1696 -2.6840 -2.6840 5.6691 5.6691 8.2024 8.2024 8.2142 8.2142 10.8903 10.8903 14.1516 14.1516 14.1564 14.1564 14.8975 14.8975 k = 0.4308-0.2487 0.3517 ( 1170 PWs) bands (ev): -38.6308 -38.6308 -17.7850 -17.7850 -17.3134 -17.3134 -17.1710 -17.1710 -2.6730 -2.6730 5.6662 5.6662 8.2213 8.2213 8.2333 8.2333 10.8766 10.8766 14.1091 14.1091 14.1658 14.1658 14.8640 14.8640 k = 0.4385-0.2531 0.3580 ( 1170 PWs) bands (ev): -38.6302 -38.6302 -17.7875 -17.7875 -17.3157 -17.3157 -17.1723 -17.1723 -2.6632 -2.6632 5.6638 5.6638 8.2385 8.2385 8.2507 8.2507 10.8647 10.8647 14.0684 14.0684 14.1759 14.1759 14.8337 14.8337 k = 0.4462-0.2576 0.3643 ( 1170 PWs) bands (ev): -38.6297 -38.6297 -17.7898 -17.7898 -17.3176 -17.3176 -17.1734 -17.1734 -2.6544 -2.6544 5.6618 5.6618 8.2540 8.2540 8.2664 8.2664 10.8545 10.8545 14.0318 14.0318 14.1850 14.1850 14.8066 14.8066 k = 0.4538-0.2620 0.3706 ( 1162 PWs) bands (ev): -38.6293 -38.6293 -17.7916 -17.7916 -17.3193 -17.3193 -17.1744 -17.1744 -2.6468 -2.6468 5.6604 5.6604 8.2676 8.2676 8.2801 8.2801 10.8460 10.8460 13.9994 13.9994 14.1929 14.1929 14.7828 14.7828 k = 0.4615-0.2665 0.3768 ( 1162 PWs) bands (ev): -38.6289 -38.6289 -17.7933 -17.7933 -17.3207 -17.3207 -17.1752 -17.1752 -2.6404 -2.6404 5.6591 5.6591 8.2792 8.2792 8.2919 8.2919 10.8389 10.8389 13.9715 13.9715 14.1996 14.1996 14.7626 14.7626 k = 0.4692-0.2709 0.3831 ( 1162 PWs) bands (ev): -38.6286 -38.6286 -17.7947 -17.7947 -17.3219 -17.3219 -17.1759 -17.1759 -2.6351 -2.6351 5.6580 5.6580 8.2888 8.2888 8.3016 8.3016 10.8332 10.8332 13.9484 13.9484 14.2052 14.2052 14.7458 14.7458 k = 0.4769-0.2754 0.3894 ( 1162 PWs) bands (ev): -38.6284 -38.6284 -17.7957 -17.7957 -17.3228 -17.3228 -17.1764 -17.1764 -2.6310 -2.6310 5.6572 5.6572 8.2963 8.2963 8.3092 8.3092 10.8289 10.8289 13.9303 13.9303 14.2095 14.2095 14.7327 14.7327 k = 0.4846-0.2798 0.3957 ( 1162 PWs) bands (ev): -38.6282 -38.6282 -17.7965 -17.7965 -17.3235 -17.3235 -17.1768 -17.1768 -2.6280 -2.6280 5.6567 5.6567 8.3017 8.3017 8.3146 8.3146 10.8258 10.8258 13.9172 13.9172 14.2126 14.2126 14.7233 14.7233 k = 0.4923-0.2842 0.4020 ( 1162 PWs) bands (ev): -38.6281 -38.6281 -17.7969 -17.7969 -17.3239 -17.3239 -17.1770 -17.1770 -2.6263 -2.6263 5.6564 5.6564 8.3049 8.3049 8.3179 8.3179 10.8240 10.8240 13.9093 13.9093 14.2144 14.2144 14.7177 14.7177 k = 0.5000-0.2887 0.4082 ( 1162 PWs) bands (ev): -38.6281 -38.6281 -17.7971 -17.7971 -17.3240 -17.3240 -17.1771 -17.1771 -2.6257 -2.6257 5.6563 5.6563 8.3060 8.3060 8.3190 8.3190 10.8234 10.8234 13.9067 13.9067 14.2151 14.2151 14.7158 14.7158 k = 0.5000-0.2887 0.4082 ( 1162 PWs) bands (ev): -38.6281 -38.6281 -17.7971 -17.7971 -17.3240 -17.3240 -17.1771 -17.1771 -2.6257 -2.6257 5.6563 5.6563 8.3060 8.3060 8.3190 8.3190 10.8234 10.8234 13.9067 13.9067 14.2151 14.2151 14.7158 14.7158 k = 0.5000-0.2799 0.4144 ( 1162 PWs) bands (ev): -38.6281 -38.6281 -17.7989 -17.7952 -17.3260 -17.3220 -17.1772 -17.1772 -2.6263 -2.6251 5.6574 5.6575 8.3047 8.3059 8.3183 8.3185 10.8231 10.8234 13.9004 13.9035 14.2115 14.2136 14.7178 14.7192 k = 0.5000-0.2712 0.4206 ( 1162 PWs) bands (ev): -38.6281 -38.6281 -17.8005 -17.7932 -17.3280 -17.3200 -17.1774 -17.1774 -2.6269 -2.6245 5.6610 5.6610 8.3019 8.3036 8.3168 8.3171 10.8224 10.8231 13.8848 13.8911 14.2042 14.2078 14.7218 14.7219 k = 0.5000-0.2624 0.4268 ( 1162 PWs) bands (ev): -38.6281 -38.6281 -17.8021 -17.7912 -17.3300 -17.3180 -17.1777 -17.1777 -2.6276 -2.6238 5.6668 5.6669 8.2967 8.2983 8.3147 8.3163 10.8214 10.8225 13.8604 13.8696 14.1953 14.1994 14.7250 14.7256 k = 0.5000-0.2537 0.4330 ( 1168 PWs) bands (ev): -38.6281 -38.6281 -17.8035 -17.7890 -17.3320 -17.3160 -17.1783 -17.1782 -2.6283 -2.6233 5.6750 5.6751 8.2887 8.2895 8.3129 8.3162 10.8200 10.8214 13.8280 13.8400 14.1864 14.1906 14.7291 14.7302 k = 0.5000-0.2449 0.4392 ( 1168 PWs) bands (ev): -38.6281 -38.6281 -17.8049 -17.7867 -17.3340 -17.3140 -17.1789 -17.1787 -2.6289 -2.6227 5.6855 5.6857 8.2776 8.2778 8.3115 8.3165 10.8184 10.8202 13.7890 13.8034 14.1789 14.1826 14.7344 14.7358 k = 0.5000-0.2362 0.4454 ( 1172 PWs) bands (ev): -38.6281 -38.6281 -17.8061 -17.7844 -17.3361 -17.3120 -17.1797 -17.1794 -2.6296 -2.6223 5.6983 5.6985 8.2632 8.2636 8.3104 8.3169 10.8165 10.8186 13.7450 13.7612 14.1730 14.1761 14.7406 14.7425 k = 0.5000-0.2274 0.4515 ( 1172 PWs) bands (ev): -38.6281 -38.6281 -17.8073 -17.7820 -17.3381 -17.3099 -17.1806 -17.1802 -2.6302 -2.6217 5.7134 5.7136 8.2461 8.2469 8.3095 8.3175 10.8143 10.8168 13.6972 13.7151 14.1687 14.1713 14.7479 14.7502 k = 0.5000-0.2187 0.4577 ( 1170 PWs) bands (ev): -38.6281 -38.6281 -17.8083 -17.7795 -17.3401 -17.3079 -17.1817 -17.1810 -2.6308 -2.6211 5.7307 5.7309 8.2263 8.2276 8.3088 8.3182 10.8119 10.8147 13.6471 13.6662 14.1657 14.1678 14.7562 14.7587 k = 0.5000-0.2099 0.4639 ( 1170 PWs) bands (ev): -38.6281 -38.6281 -17.8092 -17.7769 -17.3421 -17.3058 -17.1829 -17.1820 -2.6314 -2.6205 5.7501 5.7504 8.2041 8.2057 8.3081 8.3188 10.8093 10.8124 13.5957 13.6156 14.1638 14.1655 14.7653 14.7682 k = 0.5000-0.2012 0.4701 ( 1174 PWs) bands (ev): -38.6281 -38.6281 -17.8101 -17.7743 -17.3441 -17.3037 -17.1842 -17.1830 -2.6320 -2.6201 5.7716 5.7720 8.1794 8.1814 8.3075 8.3195 10.8065 10.8099 13.5437 13.5643 14.1627 14.1642 14.7751 14.7784 k = 0.5000-0.1925 0.4763 ( 1170 PWs) bands (ev): -38.6281 -38.6281 -17.8108 -17.7716 -17.3461 -17.3015 -17.1857 -17.1840 -2.6325 -2.6195 5.7953 5.7957 8.1524 8.1548 8.3070 8.3202 10.8035 10.8073 13.4918 13.5130 14.1624 14.1636 14.7856 14.7893 k = 0.5000-0.1837 0.4825 ( 1170 PWs) bands (ev): -38.6281 -38.6281 -17.8114 -17.7689 -17.3481 -17.2994 -17.1873 -17.1851 -2.6331 -2.6190 5.8208 5.8213 8.1233 8.1260 8.3065 8.3209 10.8005 10.8045 13.4405 13.4622 14.1626 14.1635 14.7967 14.8008 k = 0.5000-0.1750 0.4887 ( 1166 PWs) bands (ev): -38.6281 -38.6281 -17.8120 -17.7661 -17.3500 -17.2971 -17.1890 -17.1863 -2.6335 -2.6184 5.8483 5.8488 8.0920 8.0950 8.3060 8.3216 10.7973 10.8016 13.3902 13.4122 14.1633 14.1640 14.8083 14.8127 k = 0.5000-0.1662 0.4948 ( 1172 PWs) bands (ev): -38.6281 -38.6281 -17.8125 -17.7634 -17.3520 -17.2949 -17.1909 -17.1875 -2.6341 -2.6180 5.8775 5.8780 8.0587 8.0620 8.3055 8.3221 10.7940 10.7986 13.3413 13.3636 14.1642 14.1648 14.8202 14.8249 k = 0.5000-0.1575 0.5010 ( 1172 PWs) bands (ev): -38.6281 -38.6281 -17.8130 -17.7607 -17.3540 -17.2927 -17.1928 -17.1887 -2.6346 -2.6175 5.9083 5.9090 8.0236 8.0271 8.3051 8.3228 10.7907 10.7955 13.2939 13.3165 14.1655 14.1658 14.8324 14.8374 k = 0.5000-0.1487 0.5072 ( 1172 PWs) bands (ev): -38.6281 -38.6281 -17.8133 -17.7579 -17.3559 -17.2904 -17.1949 -17.1899 -2.6351 -2.6171 5.9408 5.9415 7.9868 7.9906 8.3047 8.3234 10.7874 10.7925 13.2484 13.2711 14.1669 14.1671 14.8446 14.8500 k = 0.5000-0.1400 0.5134 ( 1176 PWs) bands (ev): -38.6281 -38.6281 -17.8136 -17.7553 -17.3578 -17.2881 -17.1971 -17.1912 -2.6355 -2.6167 5.9746 5.9755 7.9484 7.9525 8.3043 8.3240 10.7841 10.7894 13.2050 13.2278 14.1685 14.1686 14.8569 14.8626 k = 0.5000-0.1312 0.5196 ( 1176 PWs) bands (ev): -38.6281 -38.6281 -17.8139 -17.7526 -17.3596 -17.2858 -17.1994 -17.1924 -2.6360 -2.6163 6.0097 6.0107 7.9088 7.9132 8.3040 8.3245 10.7808 10.7864 13.1637 13.1866 14.1701 14.1702 14.8691 14.8752 k = 0.5000-0.1225 0.5258 ( 1176 PWs) bands (ev): -38.6281 -38.6281 -17.8141 -17.7500 -17.3614 -17.2834 -17.2017 -17.1936 -2.6364 -2.6159 6.0458 6.0469 7.8680 7.8727 8.3037 8.3251 10.7777 10.7835 13.1246 13.1477 14.1718 14.1719 14.8811 14.8874 k = 0.5000-0.1137 0.5320 ( 1176 PWs) bands (ev): -38.6281 -38.6281 -17.8143 -17.7475 -17.3631 -17.2810 -17.2041 -17.1947 -2.6368 -2.6155 6.0828 6.0841 7.8265 7.8315 8.3034 8.3256 10.7746 10.7806 13.0880 13.1111 14.1735 14.1736 14.8927 14.8994 k = 0.5000-0.1050 0.5381 ( 1178 PWs) bands (ev): -38.6281 -38.6281 -17.8144 -17.7452 -17.3648 -17.2785 -17.2066 -17.1958 -2.6371 -2.6152 6.1204 6.1218 7.7844 7.7897 8.3031 8.3260 10.7716 10.7778 13.0539 13.0771 14.1752 14.1754 14.9040 14.9109 k = 0.5000-0.0962 0.5443 ( 1174 PWs) bands (ev): -38.6281 -38.6280 -17.8144 -17.7428 -17.3663 -17.2760 -17.2091 -17.1969 -2.6374 -2.6149 6.1583 6.1599 7.7422 7.7477 8.3029 8.3265 10.7689 10.7752 13.0223 13.0456 14.1768 14.1771 14.9147 14.9219 k = 0.5000-0.0875 0.5505 ( 1176 PWs) bands (ev): -38.6280 -38.6280 -17.8145 -17.7407 -17.3678 -17.2736 -17.2117 -17.1979 -2.6378 -2.6146 6.1961 6.1978 7.7001 7.7060 8.3027 8.3269 10.7662 10.7727 12.9933 13.0166 14.1784 14.1788 14.9248 14.9323 k = 0.5000-0.0787 0.5567 ( 1176 PWs) bands (ev): -38.6280 -38.6280 -17.8146 -17.7387 -17.3692 -17.2711 -17.2143 -17.1988 -2.6381 -2.6144 6.2335 6.2354 7.6587 7.6648 8.3025 8.3273 10.7638 10.7704 12.9670 12.9903 14.1799 14.1803 14.9342 14.9419 k = 0.5000-0.0700 0.5629 ( 1172 PWs) bands (ev): -38.6280 -38.6280 -17.8146 -17.7368 -17.3705 -17.2686 -17.2169 -17.1996 -2.6383 -2.6141 6.2700 6.2722 7.6184 7.6249 8.3023 8.3276 10.7616 10.7684 12.9434 12.9668 14.1814 14.1818 14.9429 14.9508 k = 0.5000-0.0612 0.5691 ( 1172 PWs) bands (ev): -38.6280 -38.6280 -17.8146 -17.7352 -17.3716 -17.2661 -17.2195 -17.2004 -2.6385 -2.6139 6.3050 6.3075 7.5799 7.5867 8.3021 8.3279 10.7596 10.7665 12.9226 12.9459 14.1826 14.1832 14.9506 14.9587 k = 0.5000-0.0525 0.5753 ( 1172 PWs) bands (ev): -38.6280 -38.6280 -17.8146 -17.7337 -17.3726 -17.2637 -17.2220 -17.2011 -2.6387 -2.6137 6.3379 6.3406 7.5438 7.5510 8.3020 8.3282 10.7578 10.7648 12.9044 12.9278 14.1838 14.1844 14.9575 14.9658 k = 0.5000-0.0437 0.5814 ( 1168 PWs) bands (ev): -38.6280 -38.6280 -17.8145 -17.7324 -17.3735 -17.2613 -17.2244 -17.2016 -2.6387 -2.6134 6.3680 6.3710 7.5110 7.5185 8.3019 8.3284 10.7564 10.7635 12.8891 12.9124 14.1848 14.1854 14.9635 14.9719 k = 0.5000-0.0350 0.5876 ( 1172 PWs) bands (ev): -38.6280 -38.6280 -17.8146 -17.7313 -17.3743 -17.2592 -17.2267 -17.2021 -2.6389 -2.6134 6.3943 6.3976 7.4823 7.4901 8.3017 8.3285 10.7551 10.7623 12.8765 12.8998 14.1857 14.1863 14.9684 14.9769 k = 0.5000-0.0262 0.5938 ( 1172 PWs) bands (ev): -38.6280 -38.6280 -17.8146 -17.7305 -17.3748 -17.2572 -17.2288 -17.2025 -2.6390 -2.6133 6.4161 6.4195 7.4587 7.4667 8.3017 8.3287 10.7541 10.7614 12.8667 12.8900 14.1863 14.1870 14.9722 14.9808 k = 0.5000-0.0175 0.6000 ( 1176 PWs) bands (ev): -38.6280 -38.6280 -17.8146 -17.7299 -17.3753 -17.2556 -17.2305 -17.2028 -2.6392 -2.6132 6.4323 6.4360 7.4410 7.4492 8.3016 8.3287 10.7534 10.7607 12.8596 12.8830 14.1868 14.1874 14.9750 14.9837 k = 0.5000-0.0087 0.6062 ( 1176 PWs) bands (ev): -38.6280 -38.6280 -17.8146 -17.7296 -17.3755 -17.2545 -17.2316 -17.2030 -2.6392 -2.6132 6.4424 6.4463 7.4300 7.4384 8.3015 8.3288 10.7530 10.7603 12.8554 12.8788 14.1871 14.1877 14.9767 14.9854 k = 0.5000 0.0000 0.6124 ( 1176 PWs) bands (ev): -38.6280 -38.6280 -17.8146 -17.7294 -17.3756 -17.2541 -17.2320 -17.2030 -2.6392 -2.6132 6.4459 6.4497 7.4263 7.4347 8.3015 8.3288 10.7528 10.7601 12.8540 12.8774 14.1872 14.1878 14.9772 14.9860 k = 0.5000 0.0000 0.6124 ( 1176 PWs) bands (ev): -38.6280 -38.6280 -17.8146 -17.7294 -17.3756 -17.2541 -17.2320 -17.2030 -2.6392 -2.6132 6.4459 6.4497 7.4263 7.4347 8.3015 8.3288 10.7528 10.7601 12.8540 12.8774 14.1872 14.1878 14.9772 14.9860 k = 0.4946 0.0094 0.6124 ( 1176 PWs) bands (ev): -38.6280 -38.6280 -17.8145 -17.7295 -17.3756 -17.2543 -17.2317 -17.2029 -2.6393 -2.6133 6.4444 6.4482 7.4277 7.4361 8.3009 8.3281 10.7542 10.7615 12.8552 12.8786 14.1860 14.1873 14.9780 14.9869 k = 0.4891 0.0188 0.6124 ( 1176 PWs) bands (ev): -38.6281 -38.6281 -17.8145 -17.7296 -17.3754 -17.2549 -17.2309 -17.2026 -2.6397 -2.6138 6.4400 6.4438 7.4319 7.4402 8.2989 8.3260 10.7581 10.7654 12.8588 12.8821 14.1827 14.1850 14.9804 14.9897 k = 0.4837 0.0282 0.6124 ( 1172 PWs) bands (ev): -38.6281 -38.6281 -17.8144 -17.7298 -17.3752 -17.2559 -17.2297 -17.2020 -2.6403 -2.6144 6.4328 6.4366 7.4388 7.4471 8.2955 8.3225 10.7643 10.7715 12.8650 12.8883 14.1772 14.1807 14.9846 14.9945 k = 0.4783 0.0377 0.6124 ( 1176 PWs) bands (ev): -38.6281 -38.6281 -17.8143 -17.7302 -17.3750 -17.2571 -17.2282 -17.2013 -2.6412 -2.6154 6.4232 6.4269 7.4484 7.4565 8.2908 8.3176 10.7723 10.7793 12.8741 12.8973 14.1694 14.1741 14.9907 15.0014 k = 0.4728 0.0471 0.6124 ( 1176 PWs) bands (ev): -38.6282 -38.6282 -17.8141 -17.7305 -17.3747 -17.2584 -17.2265 -17.2004 -2.6422 -2.6166 6.4115 6.4151 7.4604 7.4685 8.2848 8.3113 10.7820 10.7888 12.8862 12.9092 14.1592 14.1651 14.9986 15.0103 k = 0.4674 0.0565 0.6124 ( 1178 PWs) bands (ev): -38.6283 -38.6283 -17.8140 -17.7310 -17.3744 -17.2598 -17.2246 -17.1993 -2.6433 -2.6179 6.3980 6.4015 7.4746 7.4828 8.2774 8.3035 10.7929 10.7995 12.9014 12.9243 14.1465 14.1536 15.0084 15.0211 k = 0.4620 0.0659 0.6124 ( 1174 PWs) bands (ev): -38.6283 -38.6283 -17.8138 -17.7315 -17.3741 -17.2611 -17.2226 -17.1981 -2.6445 -2.6192 6.3832 6.3865 7.4909 7.4993 8.2687 8.2944 10.8048 10.8111 12.9199 12.9426 14.1312 14.1395 15.0200 15.0338 k = 0.4565 0.0753 0.6124 ( 1174 PWs) bands (ev): -38.6284 -38.6284 -17.8137 -17.7320 -17.3739 -17.2625 -17.2205 -17.1968 -2.6458 -2.6207 6.3673 6.3704 7.5090 7.5177 8.2587 8.2839 10.8172 10.8232 12.9417 12.9642 14.1134 14.1228 15.0334 15.0482 k = 0.4511 0.0847 0.6124 ( 1174 PWs) bands (ev): -38.6285 -38.6285 -17.8135 -17.7326 -17.3736 -17.2639 -17.2185 -17.1954 -2.6471 -2.6223 6.3507 6.3536 7.5285 7.5377 8.2475 8.2721 10.8299 10.8356 12.9669 12.9891 14.0930 14.1035 15.0485 15.0643 k = 0.4457 0.0941 0.6124 ( 1172 PWs) bands (ev): -38.6286 -38.6286 -17.8133 -17.7332 -17.3733 -17.2652 -17.2164 -17.1939 -2.6485 -2.6240 6.3339 6.3366 7.5493 7.5591 8.2352 8.2591 10.8425 10.8479 12.9953 13.0173 14.0702 14.0817 15.0651 15.0820 k = 0.4402 0.1035 0.6124 ( 1171 PWs) bands (ev): -38.6287 -38.6287 -17.8132 -17.7339 -17.3731 -17.2664 -17.2144 -17.1924 -2.6499 -2.6256 6.3171 6.3196 7.5711 7.5818 8.2218 8.2449 10.8549 10.8599 13.0269 13.0486 14.0449 14.0573 15.0833 15.1011 k = 0.4348 0.1130 0.6124 ( 1169 PWs) bands (ev): -38.6287 -38.6287 -17.8130 -17.7345 -17.3729 -17.2676 -17.2124 -17.1910 -2.6513 -2.6272 6.3006 6.3029 7.5937 7.6053 8.2073 8.2297 10.8668 10.8714 13.0616 13.0831 14.0172 14.0304 15.1029 15.1216 k = 0.4293 0.1224 0.6124 ( 1169 PWs) bands (ev): -38.6288 -38.6288 -17.8128 -17.7351 -17.3727 -17.2687 -17.2106 -17.1895 -2.6526 -2.6288 6.2846 6.2867 7.6168 7.6295 8.1921 8.2134 10.8781 10.8823 13.0991 13.1203 13.9871 14.0010 15.1237 15.1433 k = 0.4239 0.1318 0.6124 ( 1169 PWs) bands (ev): -38.6289 -38.6289 -17.8127 -17.7357 -17.3726 -17.2697 -17.2088 -17.1882 -2.6539 -2.6303 6.2695 6.2714 7.6401 7.6540 8.1761 8.1963 10.8885 10.8923 13.1393 13.1602 13.9547 13.9693 15.1458 15.1662 k = 0.4185 0.1412 0.6124 ( 1171 PWs) bands (ev): -38.6290 -38.6290 -17.8126 -17.7363 -17.3725 -17.2706 -17.2071 -17.1869 -2.6551 -2.6318 6.2554 6.2571 7.6635 7.6787 8.1595 8.1786 10.8981 10.9015 13.1818 13.2025 13.9201 13.9353 15.1691 15.1902 k = 0.4130 0.1506 0.6124 ( 1171 PWs) bands (ev): -38.6290 -38.6290 -17.8124 -17.7368 -17.3724 -17.2714 -17.2056 -17.1858 -2.6562 -2.6331 6.2426 6.2441 7.6865 7.7031 8.1428 8.1604 10.9066 10.9097 13.2264 13.2467 13.8833 13.8990 15.1935 15.2152 k = 0.4076 0.1600 0.6124 ( 1167 PWs) bands (ev): -38.6291 -38.6291 -17.8123 -17.7372 -17.3723 -17.2721 -17.2042 -17.1847 -2.6571 -2.6342 6.2312 6.2325 7.7087 7.7268 8.1262 8.1422 10.9141 10.9169 13.2725 13.2926 13.8445 13.8607 15.2189 15.2413 k = 0.4022 0.1694 0.6124 ( 1169 PWs) bands (ev): -38.6291 -38.6291 -17.8122 -17.7377 -17.3723 -17.2728 -17.2030 -17.1838 -2.6580 -2.6352 6.2213 6.2225 7.7298 7.7494 8.1100 8.1242 10.9205 10.9230 13.3199 13.3398 13.8039 13.8204 15.2453 15.2684 k = 0.3967 0.1789 0.6124 ( 1161 PWs) bands (ev): -38.6292 -38.6292 -17.8121 -17.7380 -17.3722 -17.2732 -17.2019 -17.1830 -2.6586 -2.6361 6.2131 6.2142 7.7490 7.7702 8.0952 8.1072 10.9258 10.9280 13.3682 13.3877 13.7617 13.7785 15.2725 15.2963 k = 0.3913 0.1883 0.6124 ( 1163 PWs) bands (ev): -38.6292 -38.6292 -17.8121 -17.7383 -17.3722 -17.2736 -17.2011 -17.1824 -2.6592 -2.6368 6.2066 6.2075 7.7656 7.7883 8.0822 8.0917 10.9299 10.9319 13.4165 13.4357 13.7183 13.7352 15.3004 15.3249 k = 0.3859 0.1977 0.6124 ( 1163 PWs) bands (ev): -38.6292 -38.6292 -17.8120 -17.7385 -17.3722 -17.2739 -17.2005 -17.1820 -2.6596 -2.6373 6.2019 6.2028 7.7785 7.8026 8.0722 8.0790 10.9328 10.9347 13.4641 13.4828 13.6747 13.6914 15.3283 15.3539 k = 0.3804 0.2071 0.6124 ( 1159 PWs) bands (ev): -38.6293 -38.6293 -17.8120 -17.7386 -17.3721 -17.2740 -17.2002 -17.1817 -2.6598 -2.6375 6.1992 6.2000 7.7869 7.8119 8.0663 8.0700 10.9346 10.9364 13.5083 13.5254 13.6345 13.6494 15.3545 15.3819 k = 0.3750 0.2165 0.6124 ( 1154 PWs) bands (ev): -38.6293 -38.6293 -17.8119 -17.7386 -17.3721 -17.2741 -17.2000 -17.1816 -2.6598 -2.6375 6.1984 6.1991 7.7898 7.8151 8.0648 8.0663 10.9353 10.9371 13.5337 13.5467 13.6149 13.6238 15.3689 15.3983 k = 0.3750 0.2165 0.6124 ( 1154 PWs) bands (ev): -38.6293 -38.6293 -17.8119 -17.7386 -17.3721 -17.2741 -17.2000 -17.1816 -2.6598 -2.6375 6.1984 6.1991 7.7898 7.8151 8.0648 8.0663 10.9353 10.9371 13.5337 13.5467 13.6149 13.6238 15.3689 15.3983 k = 0.3696 0.2134 0.6035 ( 1162 PWs) bands (ev): -38.6295 -38.6295 -17.8115 -17.7363 -17.3734 -17.2723 -17.2002 -17.1806 -2.6641 -2.6414 6.2369 6.2379 7.7422 7.7674 8.0463 8.0478 10.9673 10.9693 13.4940 13.5070 13.6359 13.6443 15.3721 15.4008 k = 0.3641 0.2102 0.5946 ( 1166 PWs) bands (ev): -38.6297 -38.6297 -17.8109 -17.7342 -17.3743 -17.2705 -17.2001 -17.1795 -2.6688 -2.6457 6.2759 6.2771 7.6931 7.7181 8.0274 8.0290 11.0039 11.0062 13.4541 13.4670 13.6590 13.6667 15.3724 15.4008 k = 0.3587 0.2071 0.5857 ( 1166 PWs) bands (ev): -38.6300 -38.6300 -17.8102 -17.7321 -17.3750 -17.2688 -17.1997 -17.1782 -2.6738 -2.6504 6.3148 6.3164 7.6427 7.6674 8.0084 8.0100 11.0453 11.0478 13.4141 13.4270 13.6836 13.6906 15.3706 15.3987 k = 0.3533 0.2040 0.5769 ( 1166 PWs) bands (ev): -38.6303 -38.6303 -17.8094 -17.7301 -17.3754 -17.2673 -17.1990 -17.1768 -2.6794 -2.6557 6.3535 6.3554 7.5913 7.6156 7.9892 7.9907 11.0914 11.0941 13.3742 13.3870 13.7092 13.7154 15.3670 15.3948 k = 0.3478 0.2008 0.5680 ( 1166 PWs) bands (ev): -38.6306 -38.6306 -17.8084 -17.7283 -17.3754 -17.2658 -17.1980 -17.1752 -2.6854 -2.6616 6.3918 6.3942 7.5393 7.5630 7.9697 7.9713 11.1424 11.1453 13.3344 13.3471 13.7352 13.7407 15.3621 15.3896 k = 0.3424 0.1977 0.5591 ( 1168 PWs) bands (ev): -38.6309 -38.6309 -17.8074 -17.7266 -17.3751 -17.2644 -17.1967 -17.1734 -2.6920 -2.6681 6.4294 6.4323 7.4869 7.5098 7.9502 7.9518 11.1982 11.2012 13.2948 13.3074 13.7611 13.7658 15.3564 15.3836 k = 0.3370 0.1945 0.5502 ( 1178 PWs) bands (ev): -38.6313 -38.6313 -17.8062 -17.7251 -17.3745 -17.2632 -17.1951 -17.1717 -2.6993 -2.6752 6.4661 6.4695 7.4344 7.4565 7.9303 7.9319 11.2587 11.2619 13.2555 13.2680 13.7863 13.7903 15.3503 15.3771 k = 0.3315 0.1914 0.5414 ( 1182 PWs) bands (ev): -38.6317 -38.6317 -17.8049 -17.7236 -17.3735 -17.2619 -17.1932 -17.1697 -2.7070 -2.6829 6.5017 6.5058 7.3825 7.4035 7.9104 7.9121 11.3240 11.3273 13.2166 13.2290 13.8104 13.8136 15.3445 15.3708 k = 0.3261 0.1883 0.5325 ( 1174 PWs) bands (ev): -38.6322 -38.6322 -17.8034 -17.7221 -17.3721 -17.2606 -17.1910 -17.1676 -2.7152 -2.6912 6.5358 6.5408 7.3314 7.3513 7.8906 7.8923 11.3940 11.3975 13.1783 13.1906 13.8327 13.8350 15.3395 15.3653 k = 0.3207 0.1851 0.5236 ( 1169 PWs) bands (ev): -38.6327 -38.6327 -17.8017 -17.7207 -17.3703 -17.2593 -17.1886 -17.1653 -2.7240 -2.7001 6.5680 6.5739 7.2819 7.3004 7.8707 7.8724 11.4686 11.4721 13.1406 13.1528 13.8527 13.8542 15.3359 15.3609 k = 0.3152 0.1820 0.5147 ( 1169 PWs) bands (ev): -38.6332 -38.6332 -17.7999 -17.7194 -17.3681 -17.2581 -17.1859 -17.1631 -2.7336 -2.7098 6.5975 6.6046 7.2346 7.2515 7.8508 7.8525 11.5474 11.5511 13.1036 13.1157 13.8699 13.8704 15.3340 15.3583 k = 0.3098 0.1789 0.5059 ( 1169 PWs) bands (ev): -38.6337 -38.6337 -17.7979 -17.7181 -17.3656 -17.2567 -17.1832 -17.1607 -2.7437 -2.7202 6.6237 6.6323 7.1904 7.2055 7.8308 7.8326 11.6305 11.6343 13.0674 13.0794 13.8832 13.8837 15.3346 15.3580 k = 0.3043 0.1757 0.4970 ( 1173 PWs) bands (ev): -38.6343 -38.6343 -17.7957 -17.7169 -17.3628 -17.2554 -17.1802 -17.1582 -2.7547 -2.7314 6.6455 6.6558 7.1505 7.1634 7.8108 7.8126 11.7175 11.7214 13.0320 13.0439 13.8923 13.8938 15.3378 15.3603 k = 0.2989 0.1726 0.4881 ( 1173 PWs) bands (ev): -38.6349 -38.6349 -17.7933 -17.7156 -17.3595 -17.2539 -17.1771 -17.1557 -2.7662 -2.7432 6.6617 6.6739 7.1164 7.1268 7.7909 7.7927 11.8083 11.8124 12.9977 13.0095 13.8973 13.8998 15.3441 15.3656 k = 0.2935 0.1694 0.4792 ( 1173 PWs) bands (ev): -38.6356 -38.6356 -17.7908 -17.7143 -17.3559 -17.2523 -17.1739 -17.1531 -2.7784 -2.7558 6.6708 6.6852 7.0896 7.0973 7.7710 7.7728 11.9026 11.9069 12.9644 12.9761 13.8980 13.9016 15.3538 15.3742 k = 0.2880 0.1663 0.4704 ( 1173 PWs) bands (ev): -38.6363 -38.6363 -17.7880 -17.7130 -17.3520 -17.2506 -17.1705 -17.1504 -2.7914 -2.7691 6.6716 6.6880 7.0714 7.0765 7.7511 7.7529 12.0003 12.0046 12.9324 12.9440 13.8943 13.8989 15.3667 15.3860 k = 0.2826 0.1632 0.4615 ( 1173 PWs) bands (ev): -38.6371 -38.6371 -17.7850 -17.7116 -17.3478 -17.2488 -17.1671 -17.1477 -2.8051 -2.7832 6.6638 6.6818 7.0623 7.0652 7.7313 7.7331 12.1008 12.1054 12.9016 12.9131 13.8864 13.8920 15.3829 15.4011 k = 0.2772 0.1600 0.4526 ( 1171 PWs) bands (ev): -38.6378 -38.6378 -17.7817 -17.7101 -17.3432 -17.2469 -17.1636 -17.1449 -2.8194 -2.7980 6.6481 6.6671 7.0616 7.0629 7.7115 7.7134 12.2041 12.2088 12.8721 12.8836 13.8744 13.8810 15.4023 15.4193 k = 0.2717 0.1569 0.4437 ( 1171 PWs) bands (ev): -38.6387 -38.6387 -17.7783 -17.7085 -17.3384 -17.2448 -17.1600 -17.1421 -2.8345 -2.8136 6.6263 6.6456 7.0675 7.0680 7.6918 7.6937 12.3098 12.3146 12.8441 12.8555 13.8586 13.8660 15.4244 15.4403 k = 0.2663 0.1538 0.4349 ( 1171 PWs) bands (ev): -38.6395 -38.6395 -17.7746 -17.7068 -17.3333 -17.2426 -17.1564 -17.1393 -2.8504 -2.8300 6.6003 6.6194 7.0784 7.0784 7.6721 7.6740 12.4173 12.4223 12.8177 12.8290 13.8394 13.8477 15.4490 15.4637 k = 0.2609 0.1506 0.4260 ( 1175 PWs) bands (ev): -38.6404 -38.6404 -17.7707 -17.7050 -17.3279 -17.2402 -17.1528 -17.1364 -2.8670 -2.8473 6.5719 6.5904 7.0923 7.0923 7.6525 7.6544 12.5265 12.5317 12.7929 12.8041 13.8172 13.8262 15.4755 15.4892 k = 0.2554 0.1475 0.4171 ( 1171 PWs) bands (ev): -38.6413 -38.6413 -17.7665 -17.7029 -17.3223 -17.2377 -17.1491 -17.1335 -2.8843 -2.8651 6.5425 6.5602 7.1082 7.1083 7.6330 7.6349 12.6367 12.6421 12.7699 12.7811 13.7924 13.8021 15.5036 15.5162 k = 0.2500 0.1443 0.4082 ( 1171 PWs) bands (ev): -38.6423 -38.6423 -17.7622 -17.7008 -17.3165 -17.2350 -17.1454 -17.1306 -2.9023 -2.8838 6.5132 6.5300 7.1249 7.1253 7.6136 7.6155 12.7441 12.7450 12.7569 12.7634 13.7656 13.7758 15.5327 15.5443 k = 0.2446 0.1412 0.3994 ( 1171 PWs) bands (ev): -38.6433 -38.6433 -17.7575 -17.6984 -17.3104 -17.2321 -17.1417 -17.1277 -2.9211 -2.9032 6.4845 6.5004 7.1418 7.1426 7.5942 7.5961 12.7285 12.7389 12.8604 12.8654 13.7371 13.7479 15.5624 15.5730 k = 0.2391 0.1381 0.3905 ( 1175 PWs) bands (ev): -38.6443 -38.6443 -17.7528 -17.6960 -17.3042 -17.2292 -17.1380 -17.1247 -2.9406 -2.9234 6.4572 6.4721 7.1584 7.1594 7.5749 7.5768 12.7109 12.7214 12.9712 12.9766 13.7075 13.7187 15.5920 15.6016 k = 0.2337 0.1349 0.3816 ( 1179 PWs) bands (ev): -38.6454 -38.6454 -17.7477 -17.6933 -17.2978 -17.2260 -17.1343 -17.1218 -2.9608 -2.9443 6.4314 6.4454 7.1743 7.1757 7.5556 7.5575 12.6952 12.7056 13.0814 13.0869 13.6771 13.6887 15.6212 15.6299 k = 0.2283 0.1318 0.3727 ( 1175 PWs) bands (ev): -38.6465 -38.6464 -17.7425 -17.6904 -17.2912 -17.2227 -17.1307 -17.1189 -2.9815 -2.9657 6.4078 6.4208 7.1894 7.1911 7.5365 7.5384 12.6815 12.6918 13.1901 13.1957 13.6463 13.6584 15.6496 15.6571 k = 0.2228 0.1286 0.3639 ( 1179 PWs) bands (ev): -38.6476 -38.6476 -17.7370 -17.6874 -17.2844 -17.2193 -17.1271 -17.1160 -3.0030 -2.9879 6.3862 6.3983 7.2033 7.2053 7.5173 7.5192 12.6698 12.6800 13.2963 13.3021 13.6155 13.6280 15.6765 15.6830 k = 0.2174 0.1255 0.3550 ( 1175 PWs) bands (ev): -38.6487 -38.6487 -17.7314 -17.6841 -17.2775 -17.2156 -17.1235 -17.1131 -3.0250 -3.0106 6.3671 6.3783 7.2160 7.2183 7.4983 7.5003 12.6602 12.6704 13.3991 13.4054 13.5850 13.5983 15.7017 15.7071 k = 0.2120 0.1224 0.3461 ( 1177 PWs) bands (ev): -38.6499 -38.6499 -17.7256 -17.6807 -17.2705 -17.2119 -17.1199 -17.1102 -3.0477 -3.0341 6.3505 6.3607 7.2272 7.2297 7.4795 7.4814 12.6527 12.6627 13.4951 13.5038 13.5558 13.5717 15.7248 15.7289 k = 0.2065 0.1192 0.3372 ( 1169 PWs) bands (ev): -38.6511 -38.6511 -17.7196 -17.6771 -17.2632 -17.2079 -17.1164 -17.1073 -3.0709 -3.0579 6.3366 6.3459 7.2371 7.2399 7.4608 7.4627 12.6474 12.6572 13.5246 13.5314 13.5997 13.6005 15.7455 15.7482 k = 0.2011 0.1161 0.3284 ( 1169 PWs) bands (ev): -38.6523 -38.6523 -17.7135 -17.6733 -17.2560 -17.2038 -17.1129 -17.1045 -3.0946 -3.0824 6.3252 6.3338 7.2454 7.2484 7.4421 7.4441 12.6441 12.6539 13.4969 13.5069 13.6846 13.6868 15.7636 15.7648 k = 0.1957 0.1130 0.3195 ( 1169 PWs) bands (ev): -38.6535 -38.6535 -17.7072 -17.6695 -17.2486 -17.1996 -17.1095 -17.1017 -3.1188 -3.1073 6.3166 6.3244 7.2521 7.2553 7.4236 7.4255 12.6429 12.6526 13.4699 13.4806 13.7639 13.7664 15.7788 15.7793 k = 0.1902 0.1098 0.3106 ( 1171 PWs) bands (ev): -38.6547 -38.6547 -17.7009 -17.6655 -17.2411 -17.1952 -17.1062 -17.0989 -3.1434 -3.1326 6.3108 6.3177 7.2573 7.2607 7.4052 7.4071 12.6439 12.6534 13.4442 13.4551 13.8344 13.8366 15.7907 15.7929 k = 0.1848 0.1067 0.3017 ( 1171 PWs) bands (ev): -38.6560 -38.6560 -17.6945 -17.6613 -17.2336 -17.1907 -17.1029 -17.0962 -3.1684 -3.1583 6.3077 6.3139 7.2609 7.2644 7.3869 7.3889 12.6469 12.6563 13.4200 13.4310 13.8940 13.8959 15.8010 15.8051 k = 0.1793 0.1035 0.2929 ( 1179 PWs) bands (ev): -38.6572 -38.6572 -17.6881 -17.6572 -17.2260 -17.1861 -17.0997 -17.0936 -3.1939 -3.1844 6.3073 6.3127 7.2627 7.2664 7.3688 7.3707 12.6521 12.6613 13.3973 13.4082 13.9410 13.9425 15.8111 15.8171 k = 0.1739 0.1004 0.2840 ( 1179 PWs) bands (ev): -38.6585 -38.6585 -17.6816 -17.6528 -17.2183 -17.1813 -17.0966 -17.0910 -3.2195 -3.2107 6.3097 6.3145 7.2631 7.2670 7.3508 7.3529 12.6593 12.6684 13.3762 13.3870 13.9740 13.9750 15.8225 15.8304 k = 0.1685 0.0973 0.2751 ( 1175 PWs) bands (ev): -38.6598 -38.6598 -17.6750 -17.6484 -17.2106 -17.1764 -17.0935 -17.0884 -3.2453 -3.2372 6.3149 6.3190 7.2621 7.2661 7.3331 7.3352 12.6685 12.6775 13.3567 13.3675 13.9918 13.9924 15.8368 15.8465 k = 0.1630 0.0941 0.2662 ( 1175 PWs) bands (ev): -38.6610 -38.6610 -17.6684 -17.6439 -17.2028 -17.1713 -17.0905 -17.0859 -3.2713 -3.2638 6.3228 6.3262 7.2596 7.2637 7.3156 7.3177 12.6796 12.6885 13.3390 13.3495 13.9938 13.9940 15.8556 15.8668 k = 0.1576 0.0910 0.2574 ( 1181 PWs) bands (ev): -38.6623 -38.6623 -17.6620 -17.6394 -17.1951 -17.1662 -17.0877 -17.0834 -3.2974 -3.2905 6.3331 6.3360 7.2555 7.2598 7.2982 7.3004 12.6926 12.7013 13.3229 13.3332 13.9799 13.9800 15.8798 15.8922 k = 0.1522 0.0879 0.2485 ( 1181 PWs) bands (ev): -38.6636 -38.6636 -17.6555 -17.6349 -17.1873 -17.1609 -17.0849 -17.0811 -3.3235 -3.3172 6.3461 6.3484 7.2502 7.2548 7.2812 7.2836 12.7075 12.7160 13.3084 13.3185 13.9510 13.9513 15.9100 15.9233 k = 0.1467 0.0847 0.2396 ( 1177 PWs) bands (ev): -38.6648 -38.6648 -17.6491 -17.6303 -17.1796 -17.1556 -17.0822 -17.0787 -3.3496 -3.3439 6.3615 6.3633 7.2435 7.2484 7.2645 7.2673 12.7241 12.7325 13.2955 13.3054 13.9084 13.9089 15.9458 15.9598 k = 0.1413 0.0816 0.2307 ( 1171 PWs) bands (ev): -38.6661 -38.6661 -17.6427 -17.6257 -17.1718 -17.1501 -17.0795 -17.0764 -3.3756 -3.3704 6.3794 6.3807 7.2354 7.2410 7.2481 7.2516 12.7423 12.7505 13.2842 13.2938 13.8540 13.8546 15.9866 16.0011 k = 0.1359 0.0784 0.2219 ( 1173 PWs) bands (ev): -38.6673 -38.6673 -17.6365 -17.6212 -17.1641 -17.1446 -17.0770 -17.0742 -3.4014 -3.3967 6.3994 6.4002 7.2252 7.2309 7.2335 7.2370 12.7620 12.7701 13.2743 13.2835 13.7895 13.7901 16.0316 16.0462 k = 0.1304 0.0753 0.2130 ( 1173 PWs) bands (ev): -38.6685 -38.6685 -17.6305 -17.6168 -17.1565 -17.1390 -17.0746 -17.0721 -3.4270 -3.4228 6.4215 6.4219 7.2130 7.2158 7.2234 7.2241 12.7832 12.7911 13.2657 13.2746 13.7169 13.7175 16.0796 16.0942 k = 0.1250 0.0722 0.2041 ( 1169 PWs) bands (ev): -38.6697 -38.6697 -17.6246 -17.6123 -17.1489 -17.1334 -17.0722 -17.0700 -3.4522 -3.4485 6.4456 6.4456 7.1992 7.2005 7.2124 7.2132 12.8056 12.8133 13.2582 13.2667 13.6379 13.6386 16.1296 16.1442 k = 0.1196 0.0690 0.1952 ( 1175 PWs) bands (ev): -38.6708 -38.6708 -17.6189 -17.6080 -17.1415 -17.1278 -17.0700 -17.0681 -3.4771 -3.4738 6.4709 6.4713 7.1848 7.1854 7.2007 7.2023 12.8291 12.8366 13.2517 13.2596 13.5542 13.5551 16.1807 16.1950 k = 0.1141 0.0659 0.1864 ( 1175 PWs) bands (ev): -38.6720 -38.6720 -17.6133 -17.6038 -17.1342 -17.1222 -17.0679 -17.0662 -3.5015 -3.4986 6.4981 6.4988 7.1706 7.1709 7.1890 7.1908 12.8537 12.8610 13.2455 13.2527 13.4678 13.4690 16.2321 16.2461 k = 0.1087 0.0628 0.1775 ( 1175 PWs) bands (ev): -38.6731 -38.6731 -17.6080 -17.5997 -17.1271 -17.1165 -17.0658 -17.0644 -3.5254 -3.5228 6.5268 6.5277 7.1566 7.1568 7.1769 7.1789 12.8791 12.8862 13.2381 13.2441 13.3811 13.3832 16.2830 16.2967 k = 0.1033 0.0596 0.1686 ( 1175 PWs) bands (ev): -38.6742 -38.6742 -17.6028 -17.5957 -17.1201 -17.1110 -17.0639 -17.0626 -3.5486 -3.5464 6.5568 6.5579 7.1431 7.1431 7.1647 7.1666 12.9052 12.9121 13.2219 13.2245 13.3029 13.3080 16.3330 16.3462 k = 0.0978 0.0565 0.1597 ( 1183 PWs) bands (ev): -38.6752 -38.6752 -17.5980 -17.5919 -17.1133 -17.1055 -17.0621 -17.0610 -3.5712 -3.5693 6.5876 6.5889 7.1299 7.1299 7.1522 7.1541 12.9317 12.9383 13.1674 13.1684 13.2624 13.2707 16.3815 16.3943 k = 0.0924 0.0533 0.1509 ( 1191 PWs) bands (ev): -38.6762 -38.6762 -17.5934 -17.5882 -17.1068 -17.1002 -17.0604 -17.0595 -3.5930 -3.5914 6.6194 6.6209 7.1171 7.1171 7.1396 7.1415 12.9585 12.9649 13.0847 13.0858 13.2521 13.2602 16.4283 16.4406 k = 0.0870 0.0502 0.1420 ( 1191 PWs) bands (ev): -38.6772 -38.6772 -17.5890 -17.5846 -17.1004 -17.0949 -17.0587 -17.0580 -3.6140 -3.6126 6.6518 6.6535 7.1050 7.1051 7.1272 7.1290 12.9853 12.9916 12.9973 12.9983 13.2488 13.2563 16.4731 16.4848 k = 0.0815 0.0471 0.1331 ( 1193 PWs) bands (ev): -38.6781 -38.6781 -17.5848 -17.5812 -17.0943 -17.0897 -17.0572 -17.0566 -3.6341 -3.6330 6.6845 6.6863 7.0936 7.0936 7.1149 7.1166 12.9100 12.9106 13.0125 13.0183 13.2476 13.2545 16.5157 16.5268 k = 0.0761 0.0439 0.1242 ( 1193 PWs) bands (ev): -38.6790 -38.6790 -17.5809 -17.5780 -17.0885 -17.0847 -17.0558 -17.0553 -3.6532 -3.6523 6.7173 6.7191 7.0827 7.0828 7.1029 7.1045 12.8245 12.8250 13.0391 13.0446 13.2475 13.2539 16.5560 16.5664 k = 0.0707 0.0408 0.1154 ( 1197 PWs) bands (ev): -38.6798 -38.6798 -17.5773 -17.5750 -17.0830 -17.0800 -17.0544 -17.0540 -3.6713 -3.6706 6.7497 6.7516 7.0725 7.0726 7.0911 7.0925 12.7418 12.7422 13.0651 13.0704 13.2481 13.2540 16.5937 16.6035 k = 0.0652 0.0377 0.1065 ( 1197 PWs) bands (ev): -38.6806 -38.6806 -17.5740 -17.5721 -17.0778 -17.0754 -17.0532 -17.0529 -3.6884 -3.6878 6.7816 6.7835 7.0628 7.0630 7.0800 7.0812 12.6625 12.6629 13.0905 13.0954 13.2490 13.2545 16.6290 16.6381 k = 0.0598 0.0345 0.0976 ( 1209 PWs) bands (ev): -38.6813 -38.6813 -17.5710 -17.5695 -17.0729 -17.0711 -17.0522 -17.0519 -3.7043 -3.7038 6.8125 6.8143 7.0536 7.0538 7.0692 7.0703 12.5873 12.5875 13.1148 13.1194 13.2503 13.2553 16.6616 16.6699 k = 0.0543 0.0314 0.0887 ( 1209 PWs) bands (ev): -38.6819 -38.6819 -17.5682 -17.5671 -17.0684 -17.0670 -17.0511 -17.0510 -3.7190 -3.7186 6.8422 6.8441 7.0453 7.0456 7.0593 7.0602 12.5166 12.5168 13.1380 13.1423 13.2517 13.2563 16.6915 16.6992 k = 0.0489 0.0282 0.0799 ( 1209 PWs) bands (ev): -38.6825 -38.6825 -17.5656 -17.5648 -17.0643 -17.0633 -17.0502 -17.0501 -3.7324 -3.7322 6.8705 6.8722 7.0377 7.0381 7.0502 7.0509 12.4509 12.4511 13.1599 13.1637 13.2533 13.2574 16.7188 16.7257 k = 0.0435 0.0251 0.0710 ( 1213 PWs) bands (ev): -38.6831 -38.6831 -17.5634 -17.5628 -17.0606 -17.0599 -17.0494 -17.0493 -3.7446 -3.7444 6.8966 6.8983 7.0308 7.0313 7.0418 7.0423 12.3908 12.3909 13.1801 13.1836 13.2549 13.2586 16.7433 16.7494 k = 0.0380 0.0220 0.0621 ( 1213 PWs) bands (ev): -38.6836 -38.6836 -17.5614 -17.5610 -17.0572 -17.0568 -17.0487 -17.0486 -3.7555 -3.7553 6.9208 6.9223 7.0247 7.0253 7.0344 7.0347 12.3366 12.3367 13.1985 13.2016 13.2564 13.2597 16.7650 16.7704 k = 0.0326 0.0188 0.0532 ( 1217 PWs) bands (ev): -38.6840 -38.6840 -17.5597 -17.5595 -17.0544 -17.0541 -17.0481 -17.0480 -3.7649 -3.7649 6.9423 6.9437 7.0192 7.0198 7.0279 7.0280 12.2888 12.2889 13.2149 13.2175 13.2579 13.2607 16.7839 16.7885 k = 0.0272 0.0157 0.0444 ( 1217 PWs) bands (ev): -38.6844 -38.6844 -17.5583 -17.5581 -17.0519 -17.0517 -17.0475 -17.0475 -3.7730 -3.7730 6.9611 6.9623 7.0146 7.0153 7.0224 7.0224 12.2477 12.2477 13.2291 13.2314 13.2593 13.2616 16.8000 16.8038 k = 0.0217 0.0126 0.0355 ( 1225 PWs) bands (ev): -38.6846 -38.6846 -17.5571 -17.5571 -17.0499 -17.0498 -17.0471 -17.0471 -3.7797 -3.7797 6.9765 6.9774 7.0108 7.0115 7.0177 7.0179 12.2136 12.2136 13.2410 13.2428 13.2605 13.2623 16.8132 16.8161 k = 0.0163 0.0094 0.0266 ( 1231 PWs) bands (ev): -38.6849 -38.6849 -17.5563 -17.5562 -17.0484 -17.0484 -17.0468 -17.0468 -3.7849 -3.7849 6.9885 6.9892 7.0082 7.0087 7.0141 7.0142 12.1868 12.1868 13.2505 13.2518 13.2615 13.2629 16.8234 16.8255 k = 0.0109 0.0063 0.0177 ( 1231 PWs) bands (ev): -38.6850 -38.6850 -17.5556 -17.5556 -17.0473 -17.0472 -17.0466 -17.0466 -3.7886 -3.7886 6.9963 6.9967 7.0074 7.0077 7.0116 7.0118 12.1674 12.1675 13.2574 13.2583 13.2623 13.2632 16.8306 16.8317 k = 0.0054 0.0031 0.0089 ( 1231 PWs) bands (ev): -38.6851 -38.6851 -17.5552 -17.5552 -17.0466 -17.0466 -17.0464 -17.0464 -3.7908 -3.7908 6.9993 6.9993 7.0088 7.0089 7.0102 7.0103 12.1558 12.1558 13.2616 13.2621 13.2629 13.2633 16.8346 16.8349 k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -38.6852 -38.6852 -17.5552 -17.5552 -17.0464 -17.0464 -17.0464 -17.0464 -3.7916 -3.7916 6.9996 6.9996 7.0097 7.0097 7.0097 7.0097 12.1519 12.1519 13.2632 13.2632 13.2632 13.2632 16.8358 16.8358 k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -38.6852 -38.6852 -17.5552 -17.5552 -17.0464 -17.0464 -17.0464 -17.0464 -3.7916 -3.7916 6.9996 6.9996 7.0097 7.0097 7.0097 7.0097 12.1519 12.1519 13.2632 13.2632 13.2632 13.2632 16.8358 16.8358 k = 0.0088 0.0051 0.0036 ( 1227 PWs) bands (ev): -38.6851 -38.6851 -17.5552 -17.5552 -17.0466 -17.0466 -17.0464 -17.0464 -3.7909 -3.7909 6.9993 6.9993 7.0089 7.0089 7.0102 7.0103 12.1557 12.1557 13.2621 13.2625 13.2625 13.2629 16.8346 16.8346 k = 0.0175 0.0101 0.0072 ( 1227 PWs) bands (ev): -38.6850 -38.6850 -17.5556 -17.5556 -17.0472 -17.0472 -17.0465 -17.0465 -3.7887 -3.7887 6.9967 6.9967 7.0076 7.0076 7.0115 7.0117 12.1671 12.1671 13.2596 13.2603 13.2603 13.2611 16.8301 16.8301 k = 0.0263 0.0152 0.0107 ( 1227 PWs) bands (ev): -38.6849 -38.6849 -17.5562 -17.5562 -17.0484 -17.0484 -17.0467 -17.0467 -3.7850 -3.7850 6.9896 6.9896 7.0083 7.0083 7.0137 7.0140 12.1860 12.1860 13.2557 13.2568 13.2568 13.2579 16.8218 16.8218 k = 0.0351 0.0203 0.0143 ( 1224 PWs) bands (ev): -38.6847 -38.6847 -17.5570 -17.5570 -17.0499 -17.0499 -17.0470 -17.0470 -3.7799 -3.7799 6.9784 6.9784 7.0108 7.0108 7.0168 7.0171 12.2122 12.2122 13.2505 13.2519 13.2519 13.2535 16.8098 16.8098 k = 0.0439 0.0253 0.0179 ( 1212 PWs) bands (ev): -38.6844 -38.6844 -17.5581 -17.5581 -17.0518 -17.0518 -17.0473 -17.0473 -3.7734 -3.7734 6.9639 6.9639 7.0147 7.0147 7.0209 7.0213 12.2455 12.2455 13.2441 13.2458 13.2458 13.2477 16.7945 16.7945 k = 0.0526 0.0304 0.0215 ( 1209 PWs) bands (ev): -38.6840 -38.6840 -17.5594 -17.5594 -17.0542 -17.0542 -17.0477 -17.0477 -3.7655 -3.7655 6.9461 6.9461 7.0194 7.0194 7.0257 7.0262 12.2856 12.2856 13.2364 13.2384 13.2384 13.2408 16.7759 16.7759 k = 0.0614 0.0355 0.0251 ( 1209 PWs) bands (ev): -38.6836 -38.6836 -17.5610 -17.5610 -17.0571 -17.0571 -17.0482 -17.0482 -3.7563 -3.7563 6.9255 6.9255 7.0249 7.0249 7.0313 7.0319 12.3322 12.3322 13.2277 13.2300 13.2300 13.2327 16.7541 16.7541 k = 0.0702 0.0405 0.0286 ( 1209 PWs) bands (ev): -38.6831 -38.6831 -17.5629 -17.5629 -17.0604 -17.0604 -17.0487 -17.0487 -3.7456 -3.7456 6.9025 6.9025 7.0312 7.0312 7.0377 7.0384 12.3850 12.3850 13.2180 13.2206 13.2206 13.2237 16.7296 16.7296 k = 0.0789 0.0456 0.0322 ( 1209 PWs) bands (ev): -38.6826 -38.6826 -17.5650 -17.5650 -17.0640 -17.0640 -17.0494 -17.0494 -3.7337 -3.7337 6.8773 6.8773 7.0383 7.0383 7.0448 7.0456 12.4436 12.4436 13.2076 13.2104 13.2104 13.2139 16.7023 16.7023 k = 0.0877 0.0506 0.0358 ( 1209 PWs) bands (ev): -38.6820 -38.6820 -17.5674 -17.5674 -17.0680 -17.0680 -17.0501 -17.0501 -3.7206 -3.7206 6.8503 6.8503 7.0461 7.0461 7.0527 7.0536 12.5074 12.5074 13.1964 13.1994 13.1994 13.2034 16.6726 16.6726 k = 0.0965 0.0557 0.0394 ( 1209 PWs) bands (ev): -38.6814 -38.6814 -17.5699 -17.5699 -17.0724 -17.0724 -17.0509 -17.0509 -3.7062 -3.7062 6.8217 6.8217 7.0547 7.0547 7.0613 7.0622 12.5761 12.5761 13.1848 13.1880 13.1880 13.1923 16.6408 16.6408 k = 0.1053 0.0608 0.0430 ( 1203 PWs) bands (ev): -38.6807 -38.6807 -17.5727 -17.5727 -17.0770 -17.0770 -17.0516 -17.0516 -3.6907 -3.6907 6.7919 6.7919 7.0640 7.0640 7.0706 7.0717 12.6490 12.6490 13.1728 13.1762 13.1762 13.1809 16.6071 16.6071 k = 0.1140 0.0658 0.0466 ( 1203 PWs) bands (ev): -38.6799 -38.6799 -17.5758 -17.5758 -17.0820 -17.0820 -17.0525 -17.0525 -3.6740 -3.6740 6.7611 6.7611 7.0738 7.0738 7.0805 7.0816 12.7258 12.7258 13.1606 13.1642 13.1642 13.1692 16.5718 16.5718 k = 0.1228 0.0709 0.0501 ( 1203 PWs) bands (ev): -38.6791 -38.6791 -17.5791 -17.5791 -17.0873 -17.0873 -17.0535 -17.0535 -3.6563 -3.6563 6.7295 6.7295 7.0842 7.0842 7.0909 7.0921 12.8057 12.8057 13.1484 13.1521 13.1521 13.1575 16.5354 16.5354 k = 0.1316 0.0760 0.0537 ( 1197 PWs) bands (ev): -38.6783 -38.6783 -17.5826 -17.5826 -17.0927 -17.0927 -17.0545 -17.0545 -3.6376 -3.6376 6.6979 6.6979 7.0952 7.0952 7.1020 7.1032 12.8883 12.8883 13.1363 13.1402 13.1402 13.1460 16.4982 16.4982 k = 0.1404 0.0810 0.0573 ( 1197 PWs) bands (ev): -38.6774 -38.6774 -17.5864 -17.5864 -17.0984 -17.0984 -17.0556 -17.0556 -3.6180 -3.6180 6.6658 6.6658 7.1066 7.1066 7.1135 7.1148 12.9728 12.9728 13.1246 13.1285 13.1285 13.1347 16.4606 16.4606 k = 0.1491 0.0861 0.0609 ( 1197 PWs) bands (ev): -38.6765 -38.6765 -17.5904 -17.5904 -17.1044 -17.1044 -17.0567 -17.0567 -3.5976 -3.5976 6.6338 6.6338 7.1185 7.1185 7.1254 7.1268 13.0586 13.0586 13.1133 13.1174 13.1174 13.1239 16.4231 16.4231 k = 0.1579 0.0912 0.0645 ( 1197 PWs) bands (ev): -38.6755 -38.6755 -17.5946 -17.5946 -17.1105 -17.1105 -17.0579 -17.0579 -3.5764 -3.5764 6.6021 6.6021 7.1307 7.1307 7.1377 7.1391 13.1027 13.1067 13.1067 13.1136 13.1451 13.1451 16.3862 16.3862 k = 0.1667 0.0962 0.0680 ( 1173 PWs) bands (ev): -38.6745 -38.6745 -17.5989 -17.5989 -17.1166 -17.1166 -17.0589 -17.0589 -3.5544 -3.5544 6.5712 6.5712 7.1437 7.1437 7.1507 7.1523 13.0930 13.0970 13.0970 13.1043 13.2311 13.2311 16.3506 16.3506 k = 0.1754 0.1013 0.0716 ( 1173 PWs) bands (ev): -38.6734 -38.6734 -17.6035 -17.6035 -17.1229 -17.1229 -17.0601 -17.0601 -3.5319 -3.5319 6.5409 6.5409 7.1566 7.1566 7.1637 7.1652 13.0841 13.0882 13.0882 13.0958 13.3160 13.3160 16.3169 16.3169 k = 0.1842 0.1064 0.0752 ( 1173 PWs) bands (ev): -38.6724 -38.6724 -17.6084 -17.6084 -17.1293 -17.1293 -17.0614 -17.0614 -3.5088 -3.5088 6.5114 6.5114 7.1696 7.1696 7.1768 7.1784 13.0763 13.0804 13.0804 13.0884 13.3990 13.3990 16.2857 16.2857 k = 0.1930 0.1114 0.0788 ( 1173 PWs) bands (ev): -38.6713 -38.6713 -17.6134 -17.6134 -17.1359 -17.1359 -17.0627 -17.0627 -3.4852 -3.4852 6.4830 6.4830 7.1828 7.1828 7.1901 7.1918 13.0698 13.0739 13.0739 13.0822 13.4789 13.4789 16.2579 16.2579 k = 0.2018 0.1165 0.0824 ( 1173 PWs) bands (ev): -38.6702 -38.6702 -17.6186 -17.6186 -17.1424 -17.1424 -17.0641 -17.0641 -3.4612 -3.4612 6.4559 6.4559 7.1962 7.1962 7.2035 7.2052 13.0647 13.0687 13.0687 13.0773 13.5548 13.5548 16.2343 16.2343 k = 0.2105 0.1215 0.0859 ( 1179 PWs) bands (ev): -38.6690 -38.6690 -17.6241 -17.6241 -17.1490 -17.1490 -17.0654 -17.0654 -3.4370 -3.4370 6.4300 6.4300 7.2096 7.2096 7.2169 7.2187 13.0610 13.0649 13.0649 13.0739 13.6256 13.6256 16.2157 16.2157 k = 0.2193 0.1266 0.0895 ( 1179 PWs) bands (ev): -38.6679 -38.6679 -17.6296 -17.6296 -17.1555 -17.1555 -17.0668 -17.0668 -3.4125 -3.4125 6.4057 6.4057 7.2230 7.2230 7.2304 7.2322 13.0589 13.0628 13.0628 13.0721 13.6903 13.6903 16.2030 16.2030 k = 0.2281 0.1317 0.0931 ( 1185 PWs) bands (ev): -38.6667 -38.6667 -17.6353 -17.6353 -17.1621 -17.1621 -17.0682 -17.0682 -3.3879 -3.3879 6.3829 6.3829 7.2363 7.2363 7.2438 7.2457 13.0585 13.0623 13.0623 13.0719 13.7477 13.7477 16.1968 16.1968 k = 0.2368 0.1367 0.0967 ( 1185 PWs) bands (ev): -38.6655 -38.6655 -17.6411 -17.6411 -17.1685 -17.1685 -17.0696 -17.0696 -3.3631 -3.3631 6.3618 6.3618 7.2495 7.2495 7.2571 7.2590 13.0599 13.0635 13.0635 13.0735 13.7970 13.7970 16.1980 16.1980 k = 0.2456 0.1418 0.1003 ( 1179 PWs) bands (ev): -38.6643 -38.6643 -17.6470 -17.6470 -17.1748 -17.1748 -17.0710 -17.0710 -3.3384 -3.3384 6.3424 6.3424 7.2627 7.2627 7.2704 7.2723 13.0632 13.0667 13.0667 13.0770 13.8374 13.8374 16.2069 16.2069 k = 0.2544 0.1469 0.1039 ( 1179 PWs) bands (ev): -38.6632 -38.6632 -17.6530 -17.6530 -17.1811 -17.1811 -17.0724 -17.0724 -3.3138 -3.3138 6.3248 6.3248 7.2756 7.2756 7.2834 7.2853 13.0684 13.0717 13.0717 13.0823 13.8685 13.8685 16.2238 16.2238 k = 0.2632 0.1519 0.1074 ( 1176 PWs) bands (ev): -38.6620 -38.6620 -17.6591 -17.6591 -17.1872 -17.1872 -17.0738 -17.0738 -3.2893 -3.2893 6.3092 6.3092 7.2882 7.2882 7.2961 7.2980 13.0755 13.0786 13.0786 13.0896 13.8900 13.8900 16.2486 16.2486 k = 0.2719 0.1570 0.1110 ( 1176 PWs) bands (ev): -38.6608 -38.6608 -17.6652 -17.6652 -17.1932 -17.1932 -17.0752 -17.0752 -3.2650 -3.2650 6.2951 6.2951 7.3006 7.3006 7.3085 7.3105 13.0846 13.0875 13.0875 13.0988 13.9019 13.9019 16.2809 16.2809 k = 0.2807 0.1621 0.1146 ( 1170 PWs) bands (ev): -38.6596 -38.6596 -17.6713 -17.6713 -17.1990 -17.1990 -17.0766 -17.0766 -3.2411 -3.2411 6.2830 6.2830 7.3127 7.3127 7.3207 7.3226 13.0957 13.0984 13.0984 13.1100 13.9046 13.9046 16.3199 16.3199 k = 0.2895 0.1671 0.1182 ( 1170 PWs) bands (ev): -38.6585 -38.6585 -17.6775 -17.6775 -17.2046 -17.2046 -17.0779 -17.0779 -3.2176 -3.2176 6.2725 6.2725 7.3244 7.3244 7.3325 7.3344 13.1089 13.1113 13.1113 13.1232 13.8988 13.8988 16.3647 16.3647 k = 0.2982 0.1722 0.1218 ( 1170 PWs) bands (ev): -38.6573 -38.6573 -17.6837 -17.6837 -17.2101 -17.2101 -17.0793 -17.0793 -3.1945 -3.1945 6.2640 6.2640 7.3357 7.3357 7.3439 7.3458 13.1240 13.1261 13.1261 13.1384 13.8852 13.8852 16.4138 16.4138 k = 0.3070 0.1773 0.1253 ( 1170 PWs) bands (ev): -38.6562 -38.6562 -17.6898 -17.6898 -17.2154 -17.2154 -17.0806 -17.0806 -3.1720 -3.1720 6.2569 6.2569 7.3466 7.3466 7.3548 7.3567 13.1411 13.1429 13.1429 13.1555 13.8647 13.8647 16.3810 16.3913 k = 0.3158 0.1823 0.1289 ( 1170 PWs) bands (ev): -38.6551 -38.6551 -17.6959 -17.6959 -17.2205 -17.2205 -17.0819 -17.0819 -3.1500 -3.1500 6.2515 6.2515 7.3571 7.3571 7.3654 7.3672 13.1601 13.1615 13.1615 13.1744 13.8384 13.8384 16.3365 16.3466 k = 0.3246 0.1874 0.1325 ( 1170 PWs) bands (ev): -38.6540 -38.6540 -17.7019 -17.7019 -17.2254 -17.2254 -17.0832 -17.0832 -3.1287 -3.1287 6.2475 6.2475 7.3671 7.3671 7.3754 7.3772 13.1809 13.1820 13.1820 13.1952 13.8070 13.8070 16.2905 16.3005 k = 0.3333 0.1925 0.1361 ( 1176 PWs) bands (ev): -38.6530 -38.6530 -17.7078 -17.7078 -17.2302 -17.2302 -17.0845 -17.0845 -3.1081 -3.1081 6.2451 6.2451 7.3765 7.3765 7.3849 7.3867 13.2035 13.2041 13.2041 13.2177 13.7717 13.7717 16.2434 16.2532 k = 0.3421 0.1975 0.1397 ( 1173 PWs) bands (ev): -38.6520 -38.6520 -17.7135 -17.7135 -17.2346 -17.2346 -17.0857 -17.0857 -3.0883 -3.0883 6.2440 6.2440 7.3856 7.3856 7.3941 7.3958 13.2277 13.2278 13.2278 13.2418 13.7332 13.7332 16.1953 16.2049 k = 0.3509 0.2026 0.1432 ( 1173 PWs) bands (ev): -38.6510 -38.6510 -17.7191 -17.7191 -17.2388 -17.2388 -17.0868 -17.0868 -3.0693 -3.0693 6.2441 6.2441 7.3941 7.3941 7.4027 7.4043 13.2530 13.2530 13.2533 13.2673 13.6924 13.6924 16.1465 16.1559 k = 0.3596 0.2076 0.1468 ( 1173 PWs) bands (ev): -38.6501 -38.6501 -17.7245 -17.7245 -17.2428 -17.2428 -17.0879 -17.0879 -3.0511 -3.0511 6.2453 6.2453 7.4021 7.4021 7.4108 7.4123 13.2794 13.2794 13.2803 13.2940 13.6502 13.6502 16.0972 16.1064 k = 0.3684 0.2127 0.1504 ( 1170 PWs) bands (ev): -38.6492 -38.6492 -17.7297 -17.7297 -17.2466 -17.2466 -17.0890 -17.0890 -3.0338 -3.0338 6.2477 6.2477 7.4096 7.4096 7.4183 7.4198 13.3069 13.3069 13.3084 13.3219 13.6071 13.6071 16.0477 16.0567 k = 0.3772 0.2178 0.1540 ( 1170 PWs) bands (ev): -38.6483 -38.6483 -17.7347 -17.7347 -17.2501 -17.2501 -17.0900 -17.0900 -3.0174 -3.0174 6.2507 6.2507 7.4166 7.4166 7.4254 7.4268 13.3352 13.3352 13.3374 13.3505 13.5640 13.5640 15.9984 16.0072 k = 0.3860 0.2228 0.1576 ( 1167 PWs) bands (ev): -38.6475 -38.6475 -17.7395 -17.7395 -17.2534 -17.2534 -17.0909 -17.0909 -3.0021 -3.0021 6.2545 6.2545 7.4231 7.4231 7.4319 7.4333 13.3639 13.3639 13.3670 13.3798 13.5214 13.5214 15.9495 15.9581 k = 0.3947 0.2279 0.1612 ( 1173 PWs) bands (ev): -38.6467 -38.6467 -17.7440 -17.7440 -17.2565 -17.2565 -17.0918 -17.0918 -2.9878 -2.9878 6.2588 6.2588 7.4290 7.4290 7.4379 7.4392 13.3923 13.3923 13.3970 13.4093 13.4804 13.4804 15.9015 15.9098 k = 0.4035 0.2330 0.1647 ( 1173 PWs) bands (ev): -38.6460 -38.6460 -17.7482 -17.7482 -17.2593 -17.2593 -17.0927 -17.0927 -2.9746 -2.9746 6.2635 6.2635 7.4345 7.4345 7.4434 7.4446 13.4160 13.4160 13.4270 13.4388 13.4457 13.4457 15.8548 15.8628 k = 0.4123 0.2380 0.1683 ( 1176 PWs) bands (ev): -38.6454 -38.6454 -17.7522 -17.7522 -17.2619 -17.2619 -17.0934 -17.0934 -2.9624 -2.9624 6.2684 6.2684 7.4394 7.4394 7.4484 7.4495 13.3964 13.3964 13.4557 13.4557 13.4567 13.4679 15.8097 15.8175 k = 0.4211 0.2431 0.1719 ( 1176 PWs) bands (ev): -38.6448 -38.6448 -17.7558 -17.7558 -17.2642 -17.2642 -17.0941 -17.0941 -2.9513 -2.9513 6.2734 6.2734 7.4438 7.4438 7.4530 7.4539 13.3619 13.3619 13.4823 13.4823 13.4856 13.4961 15.7668 15.7743 k = 0.4298 0.2482 0.1755 ( 1182 PWs) bands (ev): -38.6443 -38.6443 -17.7590 -17.7590 -17.2664 -17.2664 -17.0948 -17.0948 -2.9413 -2.9413 6.2783 6.2783 7.4477 7.4477 7.4569 7.4578 13.3290 13.3290 13.5089 13.5089 13.5134 13.5231 15.7266 15.7337 k = 0.4386 0.2532 0.1791 ( 1176 PWs) bands (ev): -38.6438 -38.6438 -17.7619 -17.7619 -17.2682 -17.2682 -17.0953 -17.0953 -2.9324 -2.9324 6.2830 6.2830 7.4513 7.4513 7.4605 7.4613 13.2990 13.2990 13.5341 13.5341 13.5397 13.5485 15.6895 15.6962 k = 0.4474 0.2583 0.1826 ( 1176 PWs) bands (ev): -38.6434 -38.6434 -17.7645 -17.7645 -17.2698 -17.2698 -17.0958 -17.0958 -2.9247 -2.9247 6.2874 6.2874 7.4543 7.4543 7.4636 7.4643 13.2723 13.2723 13.5572 13.5572 13.5638 13.5716 15.6560 15.6623 k = 0.4561 0.2634 0.1862 ( 1176 PWs) bands (ev): -38.6430 -38.6430 -17.7666 -17.7666 -17.2711 -17.2711 -17.0962 -17.0962 -2.9182 -2.9182 6.2913 6.2913 7.4568 7.4568 7.4662 7.4667 13.2491 13.2491 13.5779 13.5779 13.5854 13.5921 15.6268 15.6326 k = 0.4649 0.2684 0.1898 ( 1176 PWs) bands (ev): -38.6427 -38.6427 -17.7684 -17.7684 -17.2722 -17.2722 -17.0966 -17.0966 -2.9128 -2.9128 6.2947 6.2947 7.4589 7.4589 7.4683 7.4687 13.2299 13.2299 13.5956 13.5956 13.6040 13.6095 15.6022 15.6074 k = 0.4737 0.2735 0.1934 ( 1170 PWs) bands (ev): -38.6425 -38.6425 -17.7698 -17.7698 -17.2730 -17.2730 -17.0968 -17.0968 -2.9086 -2.9086 6.2974 6.2974 7.4605 7.4605 7.4700 7.4703 13.2147 13.2147 13.6099 13.6099 13.6192 13.6234 15.5827 15.5873 k = 0.4825 0.2785 0.1970 ( 1170 PWs) bands (ev): -38.6423 -38.6423 -17.7708 -17.7708 -17.2737 -17.2737 -17.0970 -17.0970 -2.9056 -2.9056 6.2994 6.2994 7.4617 7.4617 7.4712 7.4714 13.2038 13.2038 13.6204 13.6204 13.6305 13.6334 15.5687 15.5720 k = 0.4912 0.2836 0.2005 ( 1170 PWs) bands (ev): -38.6422 -38.6422 -17.7714 -17.7714 -17.2740 -17.2740 -17.0971 -17.0971 -2.9038 -2.9038 6.3007 6.3007 7.4623 7.4623 7.4719 7.4720 13.1972 13.1972 13.6268 13.6268 13.6378 13.6392 15.5606 15.5622 k = 0.5000 0.2887 0.2041 ( 1170 PWs) bands (ev): -38.6422 -38.6422 -17.7716 -17.7716 -17.2741 -17.2741 -17.0971 -17.0971 -2.9032 -2.9032 6.3011 6.3011 7.4626 7.4626 7.4722 7.4722 13.1950 13.1950 13.6289 13.6289 13.6407 13.6407 15.5584 15.5584 k = 0.5000 0.2887 0.2041 ( 1170 PWs) bands (ev): -38.6422 -38.6422 -17.7716 -17.7716 -17.2741 -17.2741 -17.0971 -17.0971 -2.9032 -2.9032 6.3011 6.3011 7.4626 7.4626 7.4722 7.4722 13.1950 13.1950 13.6289 13.6289 13.6407 13.6407 15.5584 15.5584 k = 0.5031 0.2797 0.2092 ( 1170 PWs) bands (ev): -38.6422 -38.6422 -17.7731 -17.7700 -17.2759 -17.2725 -17.0973 -17.0973 -2.9034 -2.9023 6.3014 6.3022 7.4623 7.4625 7.4721 7.4722 13.1921 13.1925 13.6276 13.6282 13.6397 13.6397 15.5587 15.5588 k = 0.5062 0.2706 0.2143 ( 1170 PWs) bands (ev): -38.6421 -38.6421 -17.7746 -17.7684 -17.2778 -17.2710 -17.0977 -17.0977 -2.9029 -2.9007 6.3033 6.3048 7.4608 7.4614 7.4726 7.4727 13.1839 13.1845 13.6242 13.6254 13.6367 13.6368 15.5599 15.5603 k = 0.5094 0.2616 0.2194 ( 1174 PWs) bands (ev): -38.6420 -38.6420 -17.7760 -17.7668 -17.2799 -17.2697 -17.0985 -17.0985 -2.9018 -2.8985 6.3066 6.3089 7.4572 7.4581 7.4746 7.4748 13.1700 13.1710 13.6190 13.6206 13.6321 13.6324 15.5621 15.5628 k = 0.5125 0.2526 0.2245 ( 1178 PWs) bands (ev): -38.6419 -38.6419 -17.7774 -17.7651 -17.2821 -17.2685 -17.0996 -17.0995 -2.9000 -2.8956 6.3113 6.3144 7.4514 7.4525 7.4785 7.4788 13.1501 13.1514 13.6123 13.6143 13.6261 13.6268 15.5653 15.5665 k = 0.5156 0.2436 0.2296 ( 1176 PWs) bands (ev): -38.6418 -38.6418 -17.7787 -17.7633 -17.2844 -17.2674 -17.1009 -17.1007 -2.8975 -2.8921 6.3175 6.3213 7.4438 7.4452 7.4840 7.4844 13.1240 13.1257 13.6046 13.6071 13.6191 13.6201 15.5694 15.5711 k = 0.5188 0.2345 0.2347 ( 1176 PWs) bands (ev): -38.6416 -38.6416 -17.7799 -17.7615 -17.2869 -17.2664 -17.1025 -17.1023 -2.8944 -2.8879 6.3250 6.3296 7.4345 7.4361 7.4910 7.4914 13.0913 13.0934 13.5965 13.5996 13.6112 13.6124 15.5742 15.5767 k = 0.5219 0.2255 0.2398 ( 1176 PWs) bands (ev): -38.6414 -38.6414 -17.7811 -17.7597 -17.2896 -17.2655 -17.1045 -17.1040 -2.8907 -2.8832 6.3338 6.3391 7.4237 7.4256 7.4992 7.4997 13.0521 13.0545 13.5883 13.5924 13.6031 13.6040 15.5796 15.5830 k = 0.5250 0.2165 0.2449 ( 1174 PWs) bands (ev): -38.6412 -38.6412 -17.7823 -17.7578 -17.2923 -17.2648 -17.1066 -17.1060 -2.8863 -2.8778 6.3438 6.3497 7.4117 7.4139 7.5087 7.5092 13.0064 13.0090 13.5797 13.5851 13.5954 13.5957 15.5853 15.5900 k = 0.5281 0.2075 0.2501 ( 1174 PWs) bands (ev): -38.6409 -38.6409 -17.7834 -17.7560 -17.2953 -17.2641 -17.1091 -17.1081 -2.8814 -2.8719 6.3548 6.3615 7.3987 7.4013 7.5194 7.5200 12.9545 12.9574 13.5701 13.5768 13.5889 13.5891 15.5912 15.5973 k = 0.5312 0.1985 0.2552 ( 1178 PWs) bands (ev): -38.6406 -38.6406 -17.7846 -17.7541 -17.2983 -17.2636 -17.1118 -17.1105 -2.8760 -2.8655 6.3668 6.3741 7.3849 7.3877 7.5312 7.5318 12.8970 12.9000 13.5593 13.5665 13.5848 13.5849 15.5969 15.6049 k = 0.5344 0.1894 0.2603 ( 1175 PWs) bands (ev): -38.6403 -38.6403 -17.7856 -17.7522 -17.3015 -17.2631 -17.1147 -17.1130 -2.8700 -2.8585 6.3796 6.3874 7.3708 7.3740 7.5442 7.5448 12.8343 12.8374 13.5473 13.5549 13.5828 13.5829 15.6022 15.6124 k = 0.5375 0.1804 0.2654 ( 1175 PWs) bands (ev): -38.6400 -38.6400 -17.7867 -17.7503 -17.3048 -17.2627 -17.1179 -17.1157 -2.8635 -2.8511 6.3930 6.4013 7.3563 7.3599 7.5581 7.5588 12.7670 12.7702 13.5347 13.5425 13.5824 13.5827 15.6069 15.6192 k = 0.5406 0.1714 0.2705 ( 1177 PWs) bands (ev): -38.6396 -38.6396 -17.7877 -17.7484 -17.3082 -17.2624 -17.1212 -17.1186 -2.8566 -2.8433 6.4068 6.4156 7.3420 7.3460 7.5729 7.5737 12.6958 12.6990 13.5216 13.5298 13.5835 13.5840 15.6108 15.6250 k = 0.5437 0.1624 0.2756 ( 1175 PWs) bands (ev): -38.6392 -38.6392 -17.7887 -17.7465 -17.3117 -17.2622 -17.1248 -17.1215 -2.8493 -2.8352 6.4207 6.4298 7.3281 7.3327 7.5888 7.5896 12.6212 12.6245 13.5083 13.5168 13.5860 13.5866 15.6136 15.6294 k = 0.5469 0.1534 0.2807 ( 1171 PWs) bands (ev): -38.6388 -38.6388 -17.7897 -17.7447 -17.3153 -17.2620 -17.1284 -17.1244 -2.8416 -2.8266 6.4344 6.4438 7.3152 7.3203 7.6058 7.6066 12.5440 12.5472 13.4950 13.5038 13.5896 13.5902 15.6152 15.6322 k = 0.5500 0.1443 0.2858 ( 1171 PWs) bands (ev): -38.6384 -38.6384 -17.7907 -17.7429 -17.3189 -17.2619 -17.1323 -17.1275 -2.8335 -2.8178 6.4476 6.4571 7.3035 7.3093 7.6233 7.6242 12.4644 12.4676 13.4819 13.4910 13.5942 13.5947 15.6154 15.6334 k = 0.5531 0.1353 0.2909 ( 1169 PWs) bands (ev): -38.6380 -38.6380 -17.7916 -17.7411 -17.3226 -17.2618 -17.1362 -17.1306 -2.8252 -2.8087 6.4598 6.4694 7.2937 7.3002 7.6416 7.6425 12.3832 12.3863 13.4691 13.4785 13.5996 13.6000 15.6142 15.6330 k = 0.5563 0.1263 0.2960 ( 1171 PWs) bands (ev): -38.6375 -38.6375 -17.7926 -17.7395 -17.3264 -17.2618 -17.1403 -17.1338 -2.8167 -2.7994 6.4707 6.4802 7.2861 7.2935 7.6604 7.6614 12.3008 12.3038 13.4568 13.4665 13.6056 13.6059 15.6115 15.6310 k = 0.5594 0.1173 0.3011 ( 1169 PWs) bands (ev): -38.6371 -38.6371 -17.7936 -17.7379 -17.3301 -17.2618 -17.1444 -17.1369 -2.8079 -2.7900 6.4799 6.4892 7.2813 7.2896 7.6799 7.6809 12.2176 12.2205 13.4452 13.4552 13.6122 13.6123 15.6071 15.6273 k = 0.5625 0.1083 0.3062 ( 1169 PWs) bands (ev): -38.6366 -38.6366 -17.7946 -17.7364 -17.3338 -17.2619 -17.1485 -17.1401 -2.7990 -2.7804 6.4869 6.4959 7.2796 7.2890 7.6999 7.7010 12.1341 12.1369 13.4344 13.4446 13.6190 13.6191 15.6012 15.6220 k = 0.5656 0.0992 0.3113 ( 1169 PWs) bands (ev): -38.6361 -38.6361 -17.7956 -17.7351 -17.3375 -17.2620 -17.1527 -17.1432 -2.7900 -2.7708 6.4915 6.5001 7.2815 7.2920 7.7203 7.7215 12.0506 12.0534 13.4245 13.4350 13.6260 13.6263 15.5936 15.6150 k = 0.5687 0.0902 0.3164 ( 1169 PWs) bands (ev): -38.6357 -38.6357 -17.7966 -17.7338 -17.3412 -17.2622 -17.1569 -17.1463 -2.7810 -2.7612 6.4934 6.5014 7.2872 7.2989 7.7410 7.7422 11.9676 11.9703 13.4157 13.4264 13.6329 13.6335 15.5846 15.6066 k = 0.5719 0.0812 0.3215 ( 1173 PWs) bands (ev): -38.6352 -38.6352 -17.7976 -17.7327 -17.3447 -17.2624 -17.1610 -17.1493 -2.7720 -2.7516 6.4923 6.4997 7.2968 7.3097 7.7620 7.7632 11.8854 11.8880 13.4080 13.4190 13.6398 13.6407 15.5741 15.5967 k = 0.5750 0.0722 0.3266 ( 1173 PWs) bands (ev): -38.6347 -38.6347 -17.7986 -17.7318 -17.3482 -17.2626 -17.1651 -17.1523 -2.7630 -2.7421 6.4883 6.4951 7.3104 7.3246 7.7830 7.7843 11.8044 11.8070 13.4017 13.4128 13.6464 13.6477 15.5623 15.5854 k = 0.5781 0.0631 0.3317 ( 1174 PWs) bands (ev): -38.6342 -38.6342 -17.7997 -17.7310 -17.3515 -17.2629 -17.1690 -17.1551 -2.7541 -2.7328 6.4814 6.4876 7.3279 7.3433 7.8041 7.8054 11.7250 11.7274 13.3967 13.4081 13.6526 13.6543 15.5494 15.5730 k = 0.5813 0.0541 0.3368 ( 1170 PWs) bands (ev): -38.6338 -38.6338 -17.8006 -17.7303 -17.3546 -17.2632 -17.1728 -17.1579 -2.7453 -2.7236 6.4719 6.4775 7.3490 7.3656 7.8252 7.8265 11.6474 11.6498 13.3933 13.4048 13.6583 13.6604 15.5355 15.5596 k = 0.5844 0.0451 0.3419 ( 1168 PWs) bands (ev): -38.6333 -38.6333 -17.8017 -17.7299 -17.3576 -17.2636 -17.1765 -17.1605 -2.7367 -2.7147 6.4600 6.4649 7.3734 7.3912 7.8462 7.8475 11.5721 11.5745 13.3915 13.4032 13.6632 13.6658 15.5208 15.5455 k = 0.5875 0.0361 0.3470 ( 1172 PWs) bands (ev): -38.6329 -38.6329 -17.8027 -17.7296 -17.3604 -17.2640 -17.1800 -17.1631 -2.7283 -2.7060 6.4458 6.4502 7.4006 7.4195 7.8669 7.8682 11.4993 11.5016 13.3913 13.4031 13.6673 13.6703 15.5056 15.5307 k = 0.5906 0.0271 0.3521 ( 1170 PWs) bands (ev): -38.6325 -38.6325 -17.8037 -17.7295 -17.3629 -17.2645 -17.1833 -17.1655 -2.7201 -2.6976 6.4298 6.4336 7.4303 7.4501 7.8873 7.8887 11.4294 11.4318 13.3928 13.4048 13.6703 13.6739 15.4900 15.5156 k = 0.5938 0.0180 0.3572 ( 1168 PWs) bands (ev): -38.6320 -38.6320 -17.8047 -17.7296 -17.3651 -17.2650 -17.1863 -17.1677 -2.7123 -2.6896 6.4122 6.4156 7.4619 7.4827 7.9073 7.9087 11.3627 11.3651 13.3962 13.4084 13.6722 13.6763 15.4744 15.5004 k = 0.5969 0.0090 0.3623 ( 1168 PWs) bands (ev): -38.6316 -38.6316 -17.8057 -17.7299 -17.3672 -17.2656 -17.1891 -17.1699 -2.7049 -2.6820 6.3933 6.3963 7.4951 7.5167 7.9267 7.9281 11.2996 11.3019 13.4014 13.4137 13.6728 13.6775 15.4590 15.4855 k = 0.6000 0.0000 0.3674 ( 1168 PWs) bands (ev): -38.6313 -38.6313 -17.8067 -17.7303 -17.3689 -17.2663 -17.1916 -17.1718 -2.6979 -2.6748 6.3734 6.3760 7.5292 7.5516 7.9455 7.9470 11.2402 11.2425 13.4085 13.4209 13.6721 13.6772 15.4441 15.4709 k = 0.6031-0.0090 0.3725 ( 1166 PWs) bands (ev): -38.6309 -38.6309 -17.8076 -17.7309 -17.3704 -17.2671 -17.1938 -17.1736 -2.6912 -2.6681 6.3527 6.3550 7.5640 7.5870 7.9637 7.9652 11.1851 11.1874 13.4175 13.4301 13.6698 13.6755 15.4299 15.4571 k = 0.6062-0.0180 0.3776 ( 1164 PWs) bands (ev): -38.6306 -38.6306 -17.8085 -17.7317 -17.3715 -17.2679 -17.1956 -17.1753 -2.6850 -2.6619 6.3314 6.3333 7.5989 7.6225 7.9812 7.9826 11.1343 11.1366 13.4285 13.4412 13.6661 13.6723 15.4167 15.4442 k = 0.6094-0.0271 0.3827 ( 1166 PWs) bands (ev): -38.6303 -38.6303 -17.8093 -17.7326 -17.3724 -17.2688 -17.1972 -17.1768 -2.6794 -2.6563 6.3096 6.3112 7.6335 7.6576 7.9976 7.9991 11.0882 11.0905 13.4414 13.4542 13.6608 13.6676 15.4047 15.4325 k = 0.6125-0.0361 0.3878 ( 1166 PWs) bands (ev): -38.6300 -38.6300 -17.8100 -17.7336 -17.3729 -17.2698 -17.1984 -17.1781 -2.6743 -2.6513 6.2875 6.2889 7.6675 7.6920 8.0132 8.0147 11.0471 11.0493 13.4562 13.4691 13.6540 13.6613 15.3941 15.4222 k = 0.6156-0.0451 0.3929 ( 1160 PWs) bands (ev): -38.6298 -38.6298 -17.8106 -17.7347 -17.3732 -17.2708 -17.1992 -17.1792 -2.6697 -2.6468 6.2653 6.2665 7.7004 7.7253 8.0278 8.0293 11.0112 11.0133 13.4730 13.4859 13.6459 13.6536 15.3852 15.4136 k = 0.6188-0.0541 0.3980 ( 1160 PWs) bands (ev): -38.6296 -38.6296 -17.8112 -17.7360 -17.3731 -17.2719 -17.1998 -17.1802 -2.6658 -2.6431 6.2429 6.2440 7.7320 7.7571 8.0413 8.0428 10.9804 10.9825 13.4915 13.5045 13.6364 13.6446 15.3780 15.4066 k = 0.6219-0.0631 0.4031 ( 1160 PWs) bands (ev): -38.6294 -38.6294 -17.8117 -17.7373 -17.3728 -17.2730 -17.2001 -17.1810 -2.6625 -2.6400 6.2205 6.2214 7.7619 7.7871 8.0536 8.0551 10.9551 10.9570 13.5118 13.5248 13.6260 13.6346 15.3726 15.4015 k = 0.6250-0.0722 0.4082 ( 1154 PWs) bands (ev): -38.6293 -38.6293 -17.8119 -17.7386 -17.3721 -17.2741 -17.2000 -17.1816 -2.6598 -2.6375 6.1984 6.1991 7.7898 7.8151 8.0648 8.0663 10.9353 10.9371 13.5337 13.5467 13.6149 13.6238 15.3689 15.3983 k = 0.6250-0.0722 0.4082 ( 1154 PWs) bands (ev): -38.6293 -38.6293 -17.8119 -17.7386 -17.3721 -17.2741 -17.2000 -17.1816 -2.6598 -2.6375 6.1984 6.1991 7.7898 7.8151 8.0648 8.0663 10.9353 10.9371 13.5337 13.5467 13.6149 13.6238 15.3689 15.3983 k = 0.6196-0.0690 0.4171 ( 1159 PWs) bands (ev): -38.6293 -38.6293 -17.8120 -17.7386 -17.3721 -17.2740 -17.2002 -17.1817 -2.6598 -2.6375 6.1992 6.2000 7.7869 7.8119 8.0663 8.0700 10.9346 10.9364 13.5083 13.5254 13.6345 13.6494 15.3545 15.3819 k = 0.6141-0.0659 0.4260 ( 1163 PWs) bands (ev): -38.6292 -38.6292 -17.8120 -17.7385 -17.3722 -17.2739 -17.2005 -17.1820 -2.6596 -2.6373 6.2019 6.2028 7.7785 7.8026 8.0722 8.0790 10.9328 10.9347 13.4641 13.4828 13.6747 13.6914 15.3283 15.3539 k = 0.6087-0.0628 0.4349 ( 1163 PWs) bands (ev): -38.6292 -38.6292 -17.8121 -17.7383 -17.3722 -17.2736 -17.2011 -17.1824 -2.6592 -2.6368 6.2066 6.2075 7.7656 7.7883 8.0822 8.0917 10.9299 10.9319 13.4165 13.4357 13.7183 13.7352 15.3004 15.3249 k = 0.6033-0.0596 0.4437 ( 1161 PWs) bands (ev): -38.6292 -38.6292 -17.8121 -17.7380 -17.3722 -17.2732 -17.2019 -17.1830 -2.6586 -2.6361 6.2131 6.2142 7.7490 7.7702 8.0952 8.1072 10.9258 10.9280 13.3682 13.3877 13.7617 13.7785 15.2725 15.2963 k = 0.5978-0.0565 0.4526 ( 1169 PWs) bands (ev): -38.6291 -38.6291 -17.8122 -17.7377 -17.3723 -17.2728 -17.2030 -17.1838 -2.6580 -2.6352 6.2213 6.2225 7.7298 7.7494 8.1100 8.1242 10.9205 10.9230 13.3199 13.3398 13.8039 13.8204 15.2453 15.2684 k = 0.5924-0.0533 0.4615 ( 1167 PWs) bands (ev): -38.6291 -38.6291 -17.8123 -17.7372 -17.3723 -17.2721 -17.2042 -17.1847 -2.6571 -2.6342 6.2312 6.2325 7.7087 7.7268 8.1262 8.1422 10.9141 10.9169 13.2725 13.2926 13.8445 13.8607 15.2189 15.2413 k = 0.5870-0.0502 0.4704 ( 1171 PWs) bands (ev): -38.6290 -38.6290 -17.8124 -17.7368 -17.3724 -17.2714 -17.2056 -17.1858 -2.6562 -2.6331 6.2426 6.2441 7.6865 7.7031 8.1428 8.1604 10.9066 10.9097 13.2264 13.2467 13.8833 13.8990 15.1935 15.2152 k = 0.5815-0.0471 0.4792 ( 1171 PWs) bands (ev): -38.6290 -38.6290 -17.8126 -17.7363 -17.3725 -17.2706 -17.2071 -17.1869 -2.6551 -2.6318 6.2554 6.2571 7.6635 7.6787 8.1595 8.1786 10.8981 10.9015 13.1818 13.2025 13.9201 13.9353 15.1691 15.1902 k = 0.5761-0.0439 0.4881 ( 1169 PWs) bands (ev): -38.6289 -38.6289 -17.8127 -17.7357 -17.3726 -17.2697 -17.2088 -17.1882 -2.6539 -2.6303 6.2695 6.2714 7.6401 7.6540 8.1761 8.1963 10.8885 10.8923 13.1393 13.1602 13.9547 13.9693 15.1458 15.1662 k = 0.5707-0.0408 0.4970 ( 1169 PWs) bands (ev): -38.6288 -38.6288 -17.8128 -17.7351 -17.3727 -17.2687 -17.2106 -17.1895 -2.6526 -2.6288 6.2846 6.2867 7.6168 7.6295 8.1921 8.2134 10.8781 10.8823 13.0991 13.1203 13.9871 14.0010 15.1237 15.1433 k = 0.5652-0.0377 0.5059 ( 1169 PWs) bands (ev): -38.6287 -38.6287 -17.8130 -17.7345 -17.3729 -17.2676 -17.2124 -17.1910 -2.6513 -2.6272 6.3006 6.3029 7.5937 7.6053 8.2073 8.2297 10.8668 10.8714 13.0616 13.0831 14.0172 14.0304 15.1029 15.1216 k = 0.5598-0.0345 0.5147 ( 1171 PWs) bands (ev): -38.6287 -38.6287 -17.8132 -17.7339 -17.3731 -17.2664 -17.2144 -17.1924 -2.6499 -2.6256 6.3171 6.3196 7.5711 7.5818 8.2218 8.2449 10.8549 10.8599 13.0269 13.0486 14.0449 14.0573 15.0833 15.1011 k = 0.5543-0.0314 0.5236 ( 1172 PWs) bands (ev): -38.6286 -38.6286 -17.8133 -17.7332 -17.3733 -17.2652 -17.2164 -17.1939 -2.6485 -2.6240 6.3339 6.3366 7.5493 7.5591 8.2352 8.2591 10.8425 10.8479 12.9953 13.0173 14.0702 14.0817 15.0651 15.0820 k = 0.5489-0.0282 0.5325 ( 1174 PWs) bands (ev): -38.6285 -38.6285 -17.8135 -17.7326 -17.3736 -17.2639 -17.2185 -17.1954 -2.6471 -2.6223 6.3507 6.3536 7.5285 7.5377 8.2475 8.2721 10.8299 10.8356 12.9669 12.9891 14.0930 14.1035 15.0485 15.0643 k = 0.5435-0.0251 0.5414 ( 1174 PWs) bands (ev): -38.6284 -38.6284 -17.8137 -17.7320 -17.3739 -17.2625 -17.2205 -17.1968 -2.6458 -2.6207 6.3673 6.3704 7.5090 7.5177 8.2587 8.2839 10.8172 10.8232 12.9417 12.9642 14.1134 14.1228 15.0334 15.0482 k = 0.5380-0.0220 0.5502 ( 1174 PWs) bands (ev): -38.6283 -38.6283 -17.8138 -17.7315 -17.3741 -17.2611 -17.2226 -17.1981 -2.6445 -2.6192 6.3832 6.3865 7.4909 7.4993 8.2687 8.2944 10.8048 10.8111 12.9199 12.9426 14.1312 14.1395 15.0200 15.0338 k = 0.5326-0.0188 0.5591 ( 1178 PWs) bands (ev): -38.6283 -38.6283 -17.8140 -17.7310 -17.3744 -17.2598 -17.2246 -17.1993 -2.6433 -2.6179 6.3980 6.4015 7.4746 7.4828 8.2774 8.3035 10.7929 10.7995 12.9014 12.9243 14.1465 14.1536 15.0084 15.0211 k = 0.5272-0.0157 0.5680 ( 1176 PWs) bands (ev): -38.6282 -38.6282 -17.8141 -17.7305 -17.3747 -17.2584 -17.2265 -17.2004 -2.6422 -2.6166 6.4115 6.4151 7.4604 7.4685 8.2848 8.3113 10.7820 10.7888 12.8862 12.9092 14.1592 14.1651 14.9986 15.0103 k = 0.5217-0.0126 0.5769 ( 1176 PWs) bands (ev): -38.6281 -38.6281 -17.8143 -17.7302 -17.3750 -17.2571 -17.2282 -17.2013 -2.6412 -2.6154 6.4232 6.4269 7.4484 7.4565 8.2908 8.3176 10.7723 10.7793 12.8741 12.8973 14.1694 14.1741 14.9907 15.0014 k = 0.5163-0.0094 0.5857 ( 1172 PWs) bands (ev): -38.6281 -38.6281 -17.8144 -17.7298 -17.3752 -17.2559 -17.2297 -17.2020 -2.6403 -2.6144 6.4328 6.4366 7.4388 7.4471 8.2955 8.3225 10.7643 10.7715 12.8650 12.8883 14.1772 14.1807 14.9846 14.9945 k = 0.5109-0.0063 0.5946 ( 1176 PWs) bands (ev): -38.6281 -38.6281 -17.8145 -17.7296 -17.3754 -17.2549 -17.2309 -17.2026 -2.6397 -2.6138 6.4400 6.4438 7.4319 7.4402 8.2989 8.3260 10.7581 10.7654 12.8588 12.8821 14.1827 14.1850 14.9804 14.9897 k = 0.5054-0.0031 0.6035 ( 1176 PWs) bands (ev): -38.6280 -38.6280 -17.8145 -17.7295 -17.3756 -17.2543 -17.2317 -17.2029 -2.6393 -2.6133 6.4444 6.4482 7.4277 7.4361 8.3009 8.3281 10.7542 10.7615 12.8552 12.8786 14.1860 14.1873 14.9780 14.9869 k = 0.5000 0.0000 0.6124 ( 1176 PWs) bands (ev): -38.6280 -38.6280 -17.8146 -17.7294 -17.3756 -17.2541 -17.2320 -17.2030 -2.6392 -2.6132 6.4459 6.4497 7.4263 7.4347 8.3015 8.3288 10.7528 10.7601 12.8540 12.8774 14.1872 14.1878 14.9772 14.9860 k = 0.5000 0.0000 0.6124 ( 1176 PWs) bands (ev): -38.6280 -38.6280 -17.8146 -17.7294 -17.3756 -17.2541 -17.2320 -17.2030 -2.6392 -2.6132 6.4459 6.4497 7.4263 7.4347 8.3015 8.3288 10.7528 10.7601 12.8540 12.8774 14.1872 14.1878 14.9772 14.9860 k = 0.5000 0.0063 0.6035 ( 1176 PWs) bands (ev): -38.6280 -38.6280 -17.8145 -17.7294 -17.3756 -17.2541 -17.2319 -17.2029 -2.6395 -2.6135 6.4464 6.4503 7.4252 7.4336 8.3002 8.3275 10.7555 10.7628 12.8548 12.8782 14.1852 14.1868 14.9793 14.9883 k = 0.5000 0.0126 0.5946 ( 1176 PWs) bands (ev): -38.6281 -38.6281 -17.8144 -17.7293 -17.3755 -17.2543 -17.2314 -17.2024 -2.6404 -2.6144 6.4479 6.4519 7.4220 7.4304 8.2962 8.3234 10.7635 10.7707 12.8572 12.8805 14.1799 14.1828 14.9856 14.9953 k = 0.5000 0.0188 0.5857 ( 1176 PWs) bands (ev): -38.6282 -38.6282 -17.8141 -17.7292 -17.3754 -17.2545 -17.2306 -17.2016 -2.6419 -2.6159 6.4504 6.4546 7.4167 7.4250 8.2896 8.3166 10.7769 10.7839 12.8611 12.8843 14.1719 14.1760 14.9959 15.0067 k = 0.5000 0.0251 0.5769 ( 1172 PWs) bands (ev): -38.6283 -38.6283 -17.8138 -17.7289 -17.3753 -17.2548 -17.2295 -17.2005 -2.6439 -2.6180 6.4539 6.4585 7.4093 7.4177 8.2804 8.3072 10.7955 10.8024 12.8666 12.8895 14.1612 14.1665 15.0100 15.0220 k = 0.5000 0.0314 0.5680 ( 1174 PWs) bands (ev): -38.6284 -38.6284 -17.8134 -17.7287 -17.3751 -17.2552 -17.2281 -17.1991 -2.6466 -2.6207 6.4583 6.4632 7.4001 7.4084 8.2687 8.2952 10.8192 10.8258 12.8735 12.8963 14.1483 14.1546 15.0276 15.0409 k = 0.5000 0.0377 0.5591 ( 1172 PWs) bands (ev): -38.6286 -38.6286 -17.8129 -17.7284 -17.3748 -17.2556 -17.2264 -17.1975 -2.6497 -2.6240 6.4636 6.4688 7.3893 7.3975 8.2546 8.2808 10.8479 10.8543 12.8819 12.9044 14.1335 14.1407 15.0484 15.0628 k = 0.5000 0.0439 0.5502 ( 1174 PWs) bands (ev): -38.6288 -38.6288 -17.8124 -17.7281 -17.3744 -17.2561 -17.2243 -17.1958 -2.6536 -2.6279 6.4696 6.4752 7.3769 7.3850 8.2382 8.2641 10.8814 10.8876 12.8916 12.9139 14.1171 14.1250 15.0718 15.0873 k = 0.5000 0.0502 0.5414 ( 1176 PWs) bands (ev): -38.6291 -38.6291 -17.8117 -17.7278 -17.3739 -17.2566 -17.2220 -17.1938 -2.6579 -2.6324 6.4762 6.4823 7.3632 7.3713 8.2197 8.2451 10.9196 10.9255 12.9028 12.9247 14.0994 14.1079 15.0975 15.1140 k = 0.5000 0.0565 0.5325 ( 1176 PWs) bands (ev): -38.6293 -38.6293 -17.8110 -17.7275 -17.3733 -17.2572 -17.2194 -17.1916 -2.6628 -2.6373 6.4836 6.4901 7.3485 7.3564 8.1992 8.2241 10.9624 10.9679 12.9152 12.9367 14.0807 14.0896 15.1250 15.1425 k = 0.5000 0.0628 0.5236 ( 1174 PWs) bands (ev): -38.6296 -38.6296 -17.8103 -17.7273 -17.3725 -17.2577 -17.2165 -17.1892 -2.6681 -2.6428 6.4914 6.4983 7.3330 7.3408 8.1769 8.2011 11.0094 11.0146 12.9288 12.9500 14.0612 14.0704 15.1540 15.1722 k = 0.5000 0.0690 0.5147 ( 1174 PWs) bands (ev): -38.6299 -38.6299 -17.8094 -17.7270 -17.3715 -17.2583 -17.2133 -17.1868 -2.6739 -2.6488 6.4995 6.5069 7.3171 7.3247 8.1529 8.1765 11.0605 11.0654 12.9436 12.9644 14.0411 14.0506 15.1840 15.2029 k = 0.5000 0.0753 0.5059 ( 1180 PWs) bands (ev): -38.6303 -38.6303 -17.8086 -17.7269 -17.3704 -17.2588 -17.2100 -17.1842 -2.6803 -2.6554 6.5077 6.5155 7.3009 7.3084 8.1274 8.1503 11.1154 11.1200 12.9594 12.9798 14.0206 14.0303 15.2147 15.2342 k = 0.5000 0.0816 0.4970 ( 1176 PWs) bands (ev): -38.6306 -38.6306 -17.8077 -17.7268 -17.3690 -17.2592 -17.2064 -17.1815 -2.6870 -2.6623 6.5159 6.5241 7.2850 7.2922 8.1007 8.1230 11.1740 11.1782 12.9764 12.9964 13.9999 14.0097 15.2457 15.2658 k = 0.5000 0.0879 0.4881 ( 1176 PWs) bands (ev): -38.6310 -38.6310 -17.8067 -17.7268 -17.3674 -17.2597 -17.2027 -17.1787 -2.6941 -2.6697 6.5238 6.5324 7.2694 7.2764 8.0730 8.0945 11.2360 11.2399 12.9943 13.0138 13.9790 13.9888 15.2768 15.2973 k = 0.5000 0.0941 0.4792 ( 1176 PWs) bands (ev): -38.6314 -38.6314 -17.8058 -17.7269 -17.3657 -17.2601 -17.1987 -17.1758 -2.7016 -2.6775 6.5312 6.5401 7.2548 7.2614 8.0444 8.0651 11.3011 11.3047 13.0131 13.0322 13.9580 13.9679 15.3076 15.3285 k = 0.5000 0.1004 0.4704 ( 1176 PWs) bands (ev): -38.6319 -38.6319 -17.8048 -17.7271 -17.3637 -17.2604 -17.1947 -17.1728 -2.7094 -2.6856 6.5377 6.5470 7.2413 7.2476 8.0152 8.0351 11.3691 11.3725 13.0327 13.0515 13.9371 13.9470 15.3379 15.3591 k = 0.5000 0.1067 0.4615 ( 1178 PWs) bands (ev): -38.6323 -38.6323 -17.8038 -17.7274 -17.3615 -17.2607 -17.1905 -17.1698 -2.7176 -2.6942 6.5431 6.5527 7.2293 7.2353 7.9855 8.0045 11.4397 11.4428 13.0532 13.0715 13.9163 13.9262 15.3673 15.3888 k = 0.5000 0.1130 0.4526 ( 1178 PWs) bands (ev): -38.6327 -38.6327 -17.8028 -17.7279 -17.3590 -17.2609 -17.1862 -17.1667 -2.7260 -2.7030 6.5471 6.5570 7.2193 7.2249 7.9556 7.9738 11.5127 11.5157 13.0744 13.0923 13.8957 13.9055 15.3957 15.4174 k = 0.5000 0.1192 0.4437 ( 1174 PWs) bands (ev): -38.6332 -38.6332 -17.8017 -17.7284 -17.3564 -17.2611 -17.1818 -17.1635 -2.7346 -2.7120 6.5495 6.5597 7.2114 7.2168 7.9257 7.9430 11.5879 11.5907 13.0964 13.1138 13.8753 13.8851 15.4229 15.4447 k = 0.5000 0.1255 0.4349 ( 1170 PWs) bands (ev): -38.6337 -38.6337 -17.8007 -17.7291 -17.3535 -17.2612 -17.1773 -17.1603 -2.7434 -2.7212 6.5500 6.5605 7.2059 7.2111 7.8959 7.9124 11.6650 11.6676 13.1189 13.1360 13.8552 13.8649 15.4486 15.4705 k = 0.5000 0.1318 0.4260 ( 1170 PWs) bands (ev): -38.6342 -38.6342 -17.7996 -17.7300 -17.3505 -17.2613 -17.1728 -17.1571 -2.7524 -2.7307 6.5484 6.5591 7.2030 7.2080 7.8664 7.8820 11.7436 11.7461 13.1421 13.1588 13.8354 13.8450 15.4727 15.4946 k = 0.5000 0.1381 0.4171 ( 1172 PWs) bands (ev): -38.6346 -38.6346 -17.7986 -17.7310 -17.3474 -17.2614 -17.1683 -17.1538 -2.7615 -2.7403 6.5447 6.5556 7.2028 7.2077 7.8374 7.8521 11.8235 11.8260 13.1658 13.1821 13.8160 13.8256 15.4950 15.5169 k = 0.5000 0.1443 0.4082 ( 1176 PWs) bands (ev): -38.6351 -38.6351 -17.7977 -17.7321 -17.3441 -17.2615 -17.1638 -17.1505 -2.7707 -2.7500 6.5389 6.5500 7.2053 7.2102 7.8088 7.8226 11.9045 11.9069 13.1900 13.2059 13.7971 13.8065 15.5153 15.5371 k = 0.5000 0.1506 0.3994 ( 1172 PWs) bands (ev): -38.6356 -38.6356 -17.7966 -17.7333 -17.3407 -17.2615 -17.1592 -17.1472 -2.7799 -2.7598 6.5312 6.5423 7.2104 7.2154 7.7810 7.7940 11.9862 11.9887 13.2147 13.2301 13.7786 13.7880 15.5336 15.5553 k = 0.5000 0.1569 0.3905 ( 1172 PWs) bands (ev): -38.6361 -38.6361 -17.7956 -17.7346 -17.3372 -17.2615 -17.1547 -17.1439 -2.7890 -2.7695 6.5215 6.5327 7.2179 7.2230 7.7541 7.7663 12.0684 12.0710 13.2397 13.2547 13.7607 13.7700 15.5497 15.5713 k = 0.5000 0.1632 0.3816 ( 1176 PWs) bands (ev): -38.6366 -38.6366 -17.7947 -17.7361 -17.3336 -17.2616 -17.1502 -17.1406 -2.7982 -2.7793 6.5102 6.5214 7.2275 7.2328 7.7280 7.7394 12.1507 12.1534 13.2650 13.2796 13.7434 13.7525 15.5637 15.5850 k = 0.5000 0.1694 0.3727 ( 1176 PWs) bands (ev): -38.6370 -38.6370 -17.7937 -17.7376 -17.3300 -17.2616 -17.1458 -17.1373 -2.8071 -2.7890 6.4976 6.5086 7.2392 7.2446 7.7029 7.7137 12.2329 12.2356 13.2905 13.3047 13.7268 13.7358 15.5754 15.5965 k = 0.5000 0.1757 0.3639 ( 1178 PWs) bands (ev): -38.6375 -38.6375 -17.7927 -17.7393 -17.3263 -17.2616 -17.1415 -17.1341 -2.8160 -2.7986 6.4840 6.4948 7.2524 7.2580 7.6790 7.6890 12.3146 12.3174 13.3161 13.3299 13.7109 13.7198 15.5850 15.6057 k = 0.5000 0.1820 0.3550 ( 1180 PWs) bands (ev): -38.6379 -38.6379 -17.7917 -17.7410 -17.3227 -17.2617 -17.1373 -17.1308 -2.8246 -2.8080 6.4695 6.4801 7.2670 7.2726 7.6561 7.6654 12.3953 12.3982 13.3418 13.3552 13.6958 13.7046 15.5923 15.6126 k = 0.5000 0.1883 0.3461 ( 1180 PWs) bands (ev): -38.6384 -38.6384 -17.7908 -17.7427 -17.3190 -17.2618 -17.1331 -17.1277 -2.8330 -2.8171 6.4546 6.4649 7.2826 7.2883 7.6345 7.6431 12.4748 12.4778 13.3674 13.3804 13.6817 13.6903 15.5975 15.6174 k = 0.5000 0.1945 0.3372 ( 1182 PWs) bands (ev): -38.6388 -38.6388 -17.7898 -17.7446 -17.3154 -17.2620 -17.1292 -17.1246 -2.8411 -2.8261 6.4394 6.4493 7.2987 7.3043 7.6142 7.6221 12.5525 12.5556 13.3928 13.4053 13.6685 13.6771 15.6007 15.6201 k = 0.5000 0.2008 0.3284 ( 1182 PWs) bands (ev): -38.6392 -38.6392 -17.7888 -17.7464 -17.3118 -17.2622 -17.1254 -17.1215 -2.8489 -2.8347 6.4242 6.4337 7.3154 7.3209 7.5951 7.6024 12.6281 12.6312 13.4178 13.4299 13.6565 13.6650 15.6021 15.6209 k = 0.5000 0.2071 0.3195 ( 1182 PWs) bands (ev): -38.6396 -38.6396 -17.7878 -17.7483 -17.3084 -17.2624 -17.1217 -17.1186 -2.8562 -2.8429 6.4093 6.4183 7.3322 7.3376 7.5773 7.5840 12.7010 12.7042 13.4424 13.4540 13.6458 13.6541 15.6018 15.6199 k = 0.5000 0.2134 0.3106 ( 1178 PWs) bands (ev): -38.6399 -38.6399 -17.7867 -17.7502 -17.3049 -17.2627 -17.1183 -17.1158 -2.8632 -2.8508 6.3948 6.4033 7.3489 7.3541 7.5608 7.5669 12.7707 12.7739 13.4663 13.4774 13.6365 13.6447 15.6000 15.6174 k = 0.5000 0.2196 0.3017 ( 1178 PWs) bands (ev): -38.6403 -38.6403 -17.7857 -17.7521 -17.3016 -17.2631 -17.1150 -17.1131 -2.8697 -2.8582 6.3808 6.3888 7.3652 7.3701 7.5456 7.5512 12.8367 12.8398 13.4893 13.5000 13.6287 13.6368 15.5970 15.6134 k = 0.5000 0.2259 0.2929 ( 1182 PWs) bands (ev): -38.6406 -38.6406 -17.7846 -17.7540 -17.2985 -17.2636 -17.1121 -17.1106 -2.8757 -2.8652 6.3677 6.3750 7.3807 7.3854 7.5317 7.5367 12.8983 12.9013 13.5113 13.5215 13.6226 13.6306 15.5930 15.6082 k = 0.5000 0.2322 0.2840 ( 1182 PWs) bands (ev): -38.6409 -38.6409 -17.7835 -17.7559 -17.2954 -17.2641 -17.1093 -17.1082 -2.8813 -2.8717 6.3554 6.3621 7.3955 7.3999 7.5192 7.5237 12.9550 12.9578 13.5321 13.5417 13.6184 13.6261 15.5884 15.6011 k = 0.5000 0.2385 0.2751 ( 1178 PWs) bands (ev): -38.6412 -38.6412 -17.7824 -17.7578 -17.2925 -17.2648 -17.1068 -17.1060 -2.8862 -2.8776 6.3442 6.3502 7.4094 7.4133 7.5082 7.5122 13.0063 13.0089 13.5515 13.5605 13.6160 13.6236 15.5834 15.5928 k = 0.5000 0.2447 0.2662 ( 1178 PWs) bands (ev): -38.6414 -38.6414 -17.7812 -17.7597 -17.2897 -17.2655 -17.1046 -17.1040 -2.8906 -2.8830 6.3341 6.3394 7.4219 7.4255 7.4985 7.5019 13.0517 13.0540 13.5691 13.5775 13.6156 13.6228 15.5783 15.5850 k = 0.5000 0.2510 0.2574 ( 1180 PWs) bands (ev): -38.6416 -38.6416 -17.7800 -17.7615 -17.2870 -17.2664 -17.1026 -17.1023 -2.8943 -2.8878 6.3252 6.3298 7.4331 7.4362 7.4902 7.4931 13.0908 13.0929 13.5848 13.5924 13.6171 13.6238 15.5733 15.5780 k = 0.5000 0.2573 0.2485 ( 1176 PWs) bands (ev): -38.6418 -38.6418 -17.7787 -17.7633 -17.2845 -17.2674 -17.1010 -17.1008 -2.8974 -2.8920 6.3176 6.3215 7.4428 7.4454 7.4833 7.4857 13.1235 13.1252 13.5984 13.6048 13.6205 13.6262 15.5689 15.5719 k = 0.5000 0.2636 0.2396 ( 1176 PWs) bands (ev): -38.6419 -38.6419 -17.7774 -17.7651 -17.2821 -17.2685 -17.0996 -17.0995 -2.8999 -2.8956 6.3114 6.3145 7.4508 7.4529 7.4779 7.4797 13.1498 13.1511 13.6096 13.6143 13.6255 13.6296 15.5650 15.5669 k = 0.5000 0.2698 0.2307 ( 1174 PWs) bands (ev): -38.6420 -38.6420 -17.7760 -17.7668 -17.2799 -17.2697 -17.0985 -17.0985 -2.9018 -2.8985 6.3066 6.3090 7.4569 7.4584 7.4741 7.4754 13.1698 13.1708 13.6181 13.6208 13.6314 13.6335 15.5620 15.5630 k = 0.5000 0.2761 0.2219 ( 1170 PWs) bands (ev): -38.6421 -38.6421 -17.7746 -17.7684 -17.2778 -17.2710 -17.0977 -17.0977 -2.9029 -2.9007 6.3033 6.3049 7.4607 7.4615 7.4724 7.4729 13.1838 13.1844 13.6241 13.6254 13.6364 13.6371 15.5599 15.5603 k = 0.5000 0.2824 0.2130 ( 1170 PWs) bands (ev): -38.6422 -38.6422 -17.7731 -17.7700 -17.2759 -17.2725 -17.0973 -17.0973 -2.9034 -2.9023 6.3014 6.3022 7.4622 7.4625 7.4721 7.4722 13.1921 13.1924 13.6276 13.6282 13.6396 13.6397 15.5587 15.5588 k = 0.5000 0.2887 0.2041 ( 1170 PWs) bands (ev): -38.6422 -38.6422 -17.7716 -17.7716 -17.2741 -17.2741 -17.0971 -17.0971 -2.9032 -2.9032 6.3011 6.3011 7.4626 7.4626 7.4722 7.4722 13.1950 13.1950 13.6289 13.6289 13.6407 13.6407 15.5584 15.5584 k = 0.5000 0.2887 0.2041 ( 1170 PWs) bands (ev): -38.6422 -38.6422 -17.7716 -17.7716 -17.2741 -17.2741 -17.0971 -17.0971 -2.9032 -2.9032 6.3011 6.3011 7.4626 7.4626 7.4722 7.4722 13.1950 13.1950 13.6289 13.6289 13.6407 13.6407 15.5584 15.5584 k = 0.4969 0.2869 0.2143 ( 1170 PWs) bands (ev): -38.6422 -38.6422 -17.7731 -17.7700 -17.2759 -17.2725 -17.0973 -17.0973 -2.9034 -2.9023 6.3014 6.3022 7.4623 7.4625 7.4721 7.4722 13.1921 13.1925 13.6276 13.6282 13.6397 13.6397 15.5587 15.5588 k = 0.4938 0.2851 0.2245 ( 1170 PWs) bands (ev): -38.6421 -38.6421 -17.7746 -17.7684 -17.2778 -17.2710 -17.0977 -17.0977 -2.9029 -2.9007 6.3033 6.3048 7.4608 7.4614 7.4726 7.4727 13.1839 13.1845 13.6242 13.6254 13.6367 13.6368 15.5599 15.5603 k = 0.4906 0.2833 0.2347 ( 1174 PWs) bands (ev): -38.6420 -38.6420 -17.7760 -17.7668 -17.2799 -17.2697 -17.0985 -17.0985 -2.9018 -2.8985 6.3066 6.3089 7.4572 7.4581 7.4746 7.4748 13.1700 13.1710 13.6190 13.6206 13.6321 13.6324 15.5621 15.5628 k = 0.4875 0.2815 0.2449 ( 1178 PWs) bands (ev): -38.6419 -38.6419 -17.7774 -17.7651 -17.2821 -17.2685 -17.0996 -17.0995 -2.9000 -2.8956 6.3113 6.3144 7.4514 7.4525 7.4785 7.4788 13.1501 13.1514 13.6123 13.6143 13.6261 13.6268 15.5653 15.5665 k = 0.4844 0.2797 0.2552 ( 1176 PWs) bands (ev): -38.6418 -38.6418 -17.7787 -17.7633 -17.2844 -17.2674 -17.1009 -17.1007 -2.8975 -2.8921 6.3175 6.3213 7.4438 7.4452 7.4840 7.4844 13.1240 13.1257 13.6046 13.6071 13.6191 13.6201 15.5694 15.5711 k = 0.4813 0.2778 0.2654 ( 1176 PWs) bands (ev): -38.6416 -38.6416 -17.7799 -17.7615 -17.2869 -17.2664 -17.1025 -17.1023 -2.8944 -2.8879 6.3250 6.3296 7.4345 7.4361 7.4910 7.4914 13.0913 13.0934 13.5965 13.5996 13.6112 13.6124 15.5742 15.5767 k = 0.4781 0.2760 0.2756 ( 1176 PWs) bands (ev): -38.6414 -38.6414 -17.7811 -17.7597 -17.2896 -17.2655 -17.1045 -17.1040 -2.8907 -2.8832 6.3338 6.3391 7.4237 7.4256 7.4992 7.4997 13.0521 13.0545 13.5883 13.5924 13.6031 13.6040 15.5796 15.5830 k = 0.4750 0.2742 0.2858 ( 1174 PWs) bands (ev): -38.6412 -38.6412 -17.7823 -17.7578 -17.2923 -17.2648 -17.1066 -17.1060 -2.8863 -2.8778 6.3438 6.3497 7.4117 7.4139 7.5087 7.5092 13.0064 13.0090 13.5797 13.5851 13.5954 13.5957 15.5853 15.5900 k = 0.4719 0.2724 0.2960 ( 1174 PWs) bands (ev): -38.6409 -38.6409 -17.7834 -17.7560 -17.2953 -17.2641 -17.1091 -17.1081 -2.8814 -2.8719 6.3548 6.3615 7.3987 7.4013 7.5194 7.5200 12.9545 12.9574 13.5701 13.5768 13.5889 13.5891 15.5912 15.5973 k = 0.4688 0.2706 0.3062 ( 1178 PWs) bands (ev): -38.6406 -38.6406 -17.7846 -17.7541 -17.2983 -17.2636 -17.1118 -17.1105 -2.8760 -2.8655 6.3668 6.3741 7.3849 7.3877 7.5312 7.5318 12.8970 12.9000 13.5593 13.5665 13.5848 13.5849 15.5969 15.6049 k = 0.4656 0.2688 0.3164 ( 1175 PWs) bands (ev): -38.6403 -38.6403 -17.7856 -17.7522 -17.3015 -17.2631 -17.1147 -17.1130 -2.8700 -2.8585 6.3796 6.3874 7.3708 7.3740 7.5442 7.5448 12.8343 12.8374 13.5473 13.5549 13.5828 13.5829 15.6022 15.6124 k = 0.4625 0.2670 0.3266 ( 1175 PWs) bands (ev): -38.6400 -38.6400 -17.7867 -17.7503 -17.3048 -17.2627 -17.1179 -17.1157 -2.8635 -2.8511 6.3930 6.4013 7.3563 7.3599 7.5581 7.5588 12.7670 12.7702 13.5347 13.5425 13.5824 13.5827 15.6069 15.6192 k = 0.4594 0.2652 0.3368 ( 1177 PWs) bands (ev): -38.6396 -38.6396 -17.7877 -17.7484 -17.3082 -17.2624 -17.1212 -17.1186 -2.8566 -2.8433 6.4068 6.4156 7.3420 7.3460 7.5729 7.5737 12.6958 12.6990 13.5216 13.5298 13.5835 13.5840 15.6108 15.6250 k = 0.4562 0.2634 0.3470 ( 1175 PWs) bands (ev): -38.6392 -38.6392 -17.7887 -17.7465 -17.3117 -17.2622 -17.1248 -17.1215 -2.8493 -2.8352 6.4207 6.4298 7.3281 7.3327 7.5888 7.5896 12.6212 12.6245 13.5083 13.5168 13.5860 13.5866 15.6136 15.6294 k = 0.4531 0.2616 0.3572 ( 1171 PWs) bands (ev): -38.6388 -38.6388 -17.7897 -17.7447 -17.3153 -17.2620 -17.1284 -17.1244 -2.8416 -2.8266 6.4344 6.4438 7.3152 7.3203 7.6058 7.6066 12.5440 12.5472 13.4950 13.5038 13.5896 13.5902 15.6152 15.6322 k = 0.4500 0.2598 0.3674 ( 1171 PWs) bands (ev): -38.6384 -38.6384 -17.7907 -17.7429 -17.3189 -17.2619 -17.1323 -17.1275 -2.8335 -2.8178 6.4476 6.4571 7.3035 7.3093 7.6233 7.6242 12.4644 12.4676 13.4819 13.4910 13.5942 13.5947 15.6154 15.6334 k = 0.4469 0.2580 0.3776 ( 1169 PWs) bands (ev): -38.6380 -38.6380 -17.7916 -17.7411 -17.3226 -17.2618 -17.1362 -17.1306 -2.8252 -2.8087 6.4598 6.4694 7.2937 7.3002 7.6416 7.6425 12.3832 12.3863 13.4691 13.4785 13.5996 13.6000 15.6142 15.6330 k = 0.4437 0.2562 0.3878 ( 1171 PWs) bands (ev): -38.6375 -38.6375 -17.7926 -17.7395 -17.3264 -17.2618 -17.1403 -17.1338 -2.8167 -2.7994 6.4707 6.4802 7.2861 7.2935 7.6604 7.6614 12.3008 12.3038 13.4568 13.4665 13.6056 13.6059 15.6115 15.6310 k = 0.4406 0.2544 0.3980 ( 1169 PWs) bands (ev): -38.6371 -38.6371 -17.7936 -17.7379 -17.3301 -17.2618 -17.1444 -17.1369 -2.8079 -2.7900 6.4799 6.4892 7.2813 7.2896 7.6799 7.6809 12.2176 12.2205 13.4452 13.4552 13.6122 13.6123 15.6071 15.6273 k = 0.4375 0.2526 0.4082 ( 1169 PWs) bands (ev): -38.6366 -38.6366 -17.7946 -17.7364 -17.3338 -17.2619 -17.1485 -17.1401 -2.7990 -2.7804 6.4869 6.4959 7.2796 7.2890 7.6999 7.7010 12.1341 12.1369 13.4344 13.4446 13.6190 13.6191 15.6012 15.6220 k = 0.4344 0.2508 0.4185 ( 1169 PWs) bands (ev): -38.6361 -38.6361 -17.7956 -17.7351 -17.3375 -17.2620 -17.1527 -17.1432 -2.7900 -2.7708 6.4915 6.5001 7.2815 7.2920 7.7203 7.7215 12.0506 12.0534 13.4245 13.4350 13.6260 13.6263 15.5936 15.6150 k = 0.4313 0.2490 0.4287 ( 1169 PWs) bands (ev): -38.6357 -38.6357 -17.7966 -17.7338 -17.3412 -17.2622 -17.1569 -17.1463 -2.7810 -2.7612 6.4934 6.5014 7.2872 7.2989 7.7410 7.7422 11.9676 11.9703 13.4157 13.4264 13.6329 13.6335 15.5846 15.6066 k = 0.4281 0.2472 0.4389 ( 1173 PWs) bands (ev): -38.6352 -38.6352 -17.7976 -17.7327 -17.3447 -17.2624 -17.1610 -17.1493 -2.7720 -2.7516 6.4923 6.4997 7.2968 7.3097 7.7620 7.7632 11.8854 11.8880 13.4080 13.4190 13.6398 13.6407 15.5741 15.5967 k = 0.4250 0.2454 0.4491 ( 1173 PWs) bands (ev): -38.6347 -38.6347 -17.7986 -17.7318 -17.3482 -17.2626 -17.1651 -17.1523 -2.7630 -2.7421 6.4883 6.4951 7.3104 7.3246 7.7830 7.7843 11.8044 11.8070 13.4017 13.4128 13.6464 13.6477 15.5623 15.5854 k = 0.4219 0.2436 0.4593 ( 1174 PWs) bands (ev): -38.6342 -38.6342 -17.7997 -17.7310 -17.3515 -17.2629 -17.1690 -17.1551 -2.7541 -2.7328 6.4814 6.4876 7.3279 7.3433 7.8041 7.8054 11.7250 11.7274 13.3967 13.4081 13.6526 13.6543 15.5494 15.5730 k = 0.4188 0.2418 0.4695 ( 1170 PWs) bands (ev): -38.6338 -38.6338 -17.8007 -17.7303 -17.3546 -17.2632 -17.1728 -17.1579 -2.7453 -2.7236 6.4719 6.4775 7.3490 7.3656 7.8252 7.8265 11.6474 11.6498 13.3933 13.4048 13.6583 13.6604 15.5355 15.5596 k = 0.4156 0.2400 0.4797 ( 1168 PWs) bands (ev): -38.6333 -38.6333 -17.8017 -17.7299 -17.3576 -17.2636 -17.1765 -17.1605 -2.7367 -2.7147 6.4600 6.4649 7.3734 7.3912 7.8462 7.8475 11.5721 11.5745 13.3915 13.4032 13.6632 13.6658 15.5208 15.5455 k = 0.4125 0.2382 0.4899 ( 1172 PWs) bands (ev): -38.6329 -38.6329 -17.8027 -17.7296 -17.3604 -17.2640 -17.1800 -17.1631 -2.7283 -2.7060 6.4458 6.4502 7.4006 7.4195 7.8669 7.8682 11.4993 11.5016 13.3913 13.4031 13.6673 13.6703 15.5056 15.5307 k = 0.4094 0.2364 0.5001 ( 1170 PWs) bands (ev): -38.6325 -38.6325 -17.8037 -17.7295 -17.3629 -17.2645 -17.1833 -17.1655 -2.7201 -2.6976 6.4298 6.4336 7.4303 7.4501 7.8873 7.8887 11.4294 11.4318 13.3928 13.4048 13.6703 13.6739 15.4900 15.5156 k = 0.4062 0.2345 0.5103 ( 1168 PWs) bands (ev): -38.6320 -38.6320 -17.8047 -17.7296 -17.3651 -17.2650 -17.1863 -17.1677 -2.7123 -2.6896 6.4122 6.4156 7.4619 7.4827 7.9073 7.9087 11.3627 11.3651 13.3962 13.4084 13.6722 13.6763 15.4744 15.5004 k = 0.4031 0.2327 0.5205 ( 1168 PWs) bands (ev): -38.6316 -38.6316 -17.8057 -17.7299 -17.3672 -17.2656 -17.1891 -17.1699 -2.7049 -2.6820 6.3933 6.3963 7.4951 7.5167 7.9267 7.9281 11.2996 11.3019 13.4014 13.4137 13.6728 13.6775 15.4590 15.4855 k = 0.4000 0.2309 0.5307 ( 1168 PWs) bands (ev): -38.6313 -38.6313 -17.8067 -17.7303 -17.3689 -17.2663 -17.1916 -17.1718 -2.6979 -2.6748 6.3734 6.3760 7.5292 7.5516 7.9455 7.9470 11.2402 11.2425 13.4085 13.4209 13.6721 13.6772 15.4441 15.4709 k = 0.3969 0.2291 0.5409 ( 1166 PWs) bands (ev): -38.6309 -38.6309 -17.8076 -17.7309 -17.3704 -17.2671 -17.1938 -17.1736 -2.6912 -2.6681 6.3527 6.3550 7.5640 7.5870 7.9637 7.9652 11.1851 11.1874 13.4175 13.4301 13.6698 13.6755 15.4299 15.4571 k = 0.3937 0.2273 0.5511 ( 1164 PWs) bands (ev): -38.6306 -38.6306 -17.8085 -17.7317 -17.3715 -17.2679 -17.1956 -17.1753 -2.6850 -2.6619 6.3314 6.3333 7.5989 7.6225 7.9812 7.9826 11.1343 11.1366 13.4285 13.4412 13.6661 13.6723 15.4167 15.4442 k = 0.3906 0.2255 0.5613 ( 1166 PWs) bands (ev): -38.6303 -38.6303 -17.8093 -17.7326 -17.3724 -17.2688 -17.1972 -17.1768 -2.6794 -2.6563 6.3096 6.3112 7.6335 7.6576 7.9976 7.9991 11.0882 11.0905 13.4414 13.4542 13.6608 13.6676 15.4047 15.4325 k = 0.3875 0.2237 0.5715 ( 1166 PWs) bands (ev): -38.6300 -38.6300 -17.8100 -17.7336 -17.3729 -17.2698 -17.1984 -17.1781 -2.6743 -2.6513 6.2875 6.2889 7.6675 7.6920 8.0132 8.0147 11.0471 11.0493 13.4562 13.4691 13.6540 13.6613 15.3941 15.4222 k = 0.3844 0.2219 0.5818 ( 1160 PWs) bands (ev): -38.6298 -38.6298 -17.8106 -17.7347 -17.3732 -17.2708 -17.1992 -17.1792 -2.6697 -2.6468 6.2653 6.2665 7.7004 7.7253 8.0278 8.0293 11.0112 11.0133 13.4730 13.4859 13.6459 13.6536 15.3852 15.4136 k = 0.3812 0.2201 0.5920 ( 1160 PWs) bands (ev): -38.6296 -38.6296 -17.8112 -17.7360 -17.3731 -17.2719 -17.1998 -17.1802 -2.6658 -2.6431 6.2429 6.2440 7.7320 7.7571 8.0413 8.0428 10.9804 10.9825 13.4915 13.5045 13.6364 13.6446 15.3780 15.4066 k = 0.3781 0.2183 0.6022 ( 1160 PWs) bands (ev): -38.6294 -38.6294 -17.8117 -17.7373 -17.3728 -17.2730 -17.2001 -17.1810 -2.6625 -2.6400 6.2205 6.2214 7.7619 7.7871 8.0536 8.0551 10.9551 10.9570 13.5118 13.5248 13.6260 13.6346 15.3726 15.4015 k = 0.3750 0.2165 0.6124 ( 1154 PWs) bands (ev): -38.6293 -38.6293 -17.8119 -17.7386 -17.3721 -17.2741 -17.2000 -17.1816 -2.6598 -2.6375 6.1984 6.1991 7.7898 7.8151 8.0648 8.0663 10.9353 10.9371 13.5337 13.5467 13.6149 13.6238 15.3689 15.3983 k = 0.6250-0.0722 0.4082 ( 1154 PWs) bands (ev): -38.6293 -38.6293 -17.8119 -17.7386 -17.3721 -17.2741 -17.2000 -17.1816 -2.6598 -2.6375 6.1984 6.1991 7.7898 7.8151 8.0648 8.0663 10.9353 10.9371 13.5337 13.5467 13.6149 13.6238 15.3689 15.3983 k = 0.6196-0.0816 0.4082 ( 1160 PWs) bands (ev): -38.6291 -38.6291 -17.8124 -17.7410 -17.3707 -17.2761 -17.1996 -17.1825 -2.6562 -2.6344 6.1597 6.1603 7.8357 7.8609 8.0830 8.0845 10.9074 10.9089 13.5723 13.5828 13.5994 13.6064 15.3616 15.3807 k = 0.6141-0.0910 0.4082 ( 1160 PWs) bands (ev): -38.6289 -38.6289 -17.8127 -17.7435 -17.3691 -17.2781 -17.1989 -17.1832 -2.6528 -2.6315 6.1216 6.1220 7.8797 7.9048 8.1007 8.1022 10.8839 10.8851 13.5772 13.5866 13.6158 13.6280 15.3383 15.3430 k = 0.6087-0.1004 0.4082 ( 1160 PWs) bands (ev): -38.6288 -38.6288 -17.8129 -17.7461 -17.3673 -17.2803 -17.1981 -17.1837 -2.6497 -2.6290 6.0842 6.0844 7.9217 7.9464 8.1181 8.1196 10.8643 10.8651 13.5643 13.5751 13.6536 13.6667 15.2963 15.3070 k = 0.6033-0.1098 0.4082 ( 1156 PWs) bands (ev): -38.6286 -38.6286 -17.8130 -17.7487 -17.3653 -17.2824 -17.1970 -17.1841 -2.6470 -2.6269 6.0475 6.0476 7.9615 7.9859 8.1351 8.1366 10.8484 10.8488 13.5542 13.5658 13.6922 13.7054 15.2549 15.2670 k = 0.5978-0.1192 0.4082 ( 1156 PWs) bands (ev): -38.6285 -38.6285 -17.8130 -17.7514 -17.3632 -17.2847 -17.1958 -17.1843 -2.6445 -2.6252 6.0117 6.0117 7.9991 8.0229 8.1515 8.1530 10.8357 10.8358 13.5477 13.5599 13.7304 13.7437 15.2141 15.2268 k = 0.5924-0.1286 0.4082 ( 1160 PWs) bands (ev): -38.6284 -38.6284 -17.8130 -17.7542 -17.3610 -17.2869 -17.1945 -17.1844 -2.6424 -2.6238 5.9769 5.9769 8.0344 8.0575 8.1673 8.1689 10.8258 10.8261 13.5450 13.5577 13.7682 13.7815 15.1740 15.1868 k = 0.5870-0.1381 0.4082 ( 1160 PWs) bands (ev): -38.6284 -38.6284 -17.8128 -17.7570 -17.3588 -17.2892 -17.1931 -17.1844 -2.6405 -2.6227 5.9433 5.9434 8.0674 8.0898 8.1826 8.1841 10.8184 10.8190 13.5463 13.5596 13.8055 13.8187 15.1346 15.1475 k = 0.5815-0.1475 0.4082 ( 1164 PWs) bands (ev): -38.6283 -38.6283 -17.8126 -17.7598 -17.3565 -17.2916 -17.1916 -17.1842 -2.6388 -2.6218 5.9110 5.9112 8.0980 8.1195 8.1972 8.1988 10.8132 10.8142 13.5518 13.5655 13.8421 13.8553 15.0959 15.1088 k = 0.5761-0.1569 0.4082 ( 1164 PWs) bands (ev): -38.6283 -38.6283 -17.8123 -17.7626 -17.3542 -17.2939 -17.1901 -17.1839 -2.6373 -2.6212 5.8802 5.8804 8.1263 8.1469 8.2111 8.2128 10.8100 10.8113 13.5615 13.5756 13.8781 13.8912 15.0581 15.0710 k = 0.5707-0.1663 0.4082 ( 1164 PWs) bands (ev): -38.6282 -38.6282 -17.8119 -17.7655 -17.3519 -17.2962 -17.1886 -17.1835 -2.6359 -2.6208 5.8510 5.8512 8.1523 8.1719 8.2244 8.2261 10.8083 10.8099 13.5755 13.5898 13.9132 13.9262 15.0212 15.0340 k = 0.5652-0.1757 0.4082 ( 1164 PWs) bands (ev): -38.6282 -38.6282 -17.8114 -17.7683 -17.3496 -17.2984 -17.1871 -17.1830 -2.6347 -2.6206 5.8235 5.8238 8.1761 8.1946 8.2368 8.2386 10.8079 10.8096 13.5935 13.6081 13.9475 13.9604 14.9854 14.9979 k = 0.5598-0.1851 0.4082 ( 1172 PWs) bands (ev): -38.6282 -38.6282 -17.8108 -17.7711 -17.3474 -17.3008 -17.1857 -17.1825 -2.6338 -2.6207 5.7978 5.7980 8.1975 8.2149 8.2485 8.2504 10.8083 10.8102 13.6155 13.6302 13.9809 13.9935 14.9507 14.9629 k = 0.5543-0.1945 0.4082 ( 1172 PWs) bands (ev): -38.6281 -38.6281 -17.8101 -17.7738 -17.3451 -17.3030 -17.1843 -17.1818 -2.6328 -2.6208 5.7740 5.7742 8.2170 8.2331 8.2595 8.2613 10.8094 10.8115 13.6411 13.6558 14.0131 14.0255 14.9172 14.9291 k = 0.5489-0.2040 0.4082 ( 1172 PWs) bands (ev): -38.6281 -38.6281 -17.8093 -17.7765 -17.3429 -17.3052 -17.1830 -17.1812 -2.6319 -2.6210 5.7522 5.7524 8.2343 8.2491 8.2696 8.2714 10.8110 10.8131 13.6698 13.6844 14.0441 14.0561 14.8853 14.8966 k = 0.5435-0.2134 0.4082 ( 1172 PWs) bands (ev): -38.6281 -38.6281 -17.8084 -17.7792 -17.3407 -17.3074 -17.1818 -17.1805 -2.6311 -2.6214 5.7324 5.7326 8.2496 8.2629 8.2789 8.2806 10.8128 10.8149 13.7012 13.7154 14.0737 14.0852 14.8549 14.8656 k = 0.5380-0.2228 0.4082 ( 1172 PWs) bands (ev): -38.6281 -38.6281 -17.8074 -17.7817 -17.3385 -17.3096 -17.1808 -17.1799 -2.6304 -2.6218 5.7148 5.7150 8.2629 8.2746 8.2875 8.2890 10.8148 10.8168 13.7343 13.7481 14.1016 14.1125 14.8265 14.8364 k = 0.5326-0.2322 0.4082 ( 1170 PWs) bands (ev): -38.6281 -38.6281 -17.8062 -17.7842 -17.3364 -17.3117 -17.1798 -17.1792 -2.6297 -2.6222 5.6994 5.6996 8.2743 8.2842 8.2953 8.2964 10.8167 10.8185 13.7684 13.7813 14.1276 14.1376 14.8004 14.8092 k = 0.5272-0.2416 0.4082 ( 1170 PWs) bands (ev): -38.6281 -38.6281 -17.8050 -17.7866 -17.3343 -17.3138 -17.1790 -17.1787 -2.6290 -2.6228 5.6863 5.6864 8.2838 8.2918 8.3023 8.3029 10.8185 10.8201 13.8021 13.8139 14.1512 14.1601 14.7770 14.7844 k = 0.5217-0.2510 0.4082 ( 1166 PWs) bands (ev): -38.6281 -38.6281 -17.8036 -17.7889 -17.3322 -17.3159 -17.1783 -17.1781 -2.6283 -2.6233 5.6755 5.6757 8.2916 8.2976 8.3083 8.3084 10.8200 10.8214 13.8339 13.8443 14.1719 14.1796 14.7569 14.7624 k = 0.5163-0.2604 0.4082 ( 1162 PWs) bands (ev): -38.6281 -38.6281 -17.8021 -17.7911 -17.3301 -17.3179 -17.1777 -17.1777 -2.6276 -2.6238 5.6671 5.6672 8.2976 8.3018 8.3129 8.3131 10.8214 10.8224 13.8622 13.8707 14.1893 14.1954 14.7406 14.7436 k = 0.5109-0.2698 0.4082 ( 1162 PWs) bands (ev): -38.6281 -38.6281 -17.8006 -17.7932 -17.3281 -17.3200 -17.1774 -17.1774 -2.6270 -2.6244 5.6611 5.6611 8.3019 8.3046 8.3162 8.3165 10.8224 10.8231 13.8850 13.8910 14.2026 14.2069 14.7284 14.7285 k = 0.5054-0.2793 0.4082 ( 1162 PWs) bands (ev): -38.6281 -38.6281 -17.7989 -17.7952 -17.3260 -17.3220 -17.1772 -17.1772 -2.6263 -2.6251 5.6575 5.6575 8.3047 8.3060 8.3182 8.3185 10.8231 10.8234 13.9003 13.9034 14.2113 14.2135 14.7183 14.7204 k = 0.5000-0.2887 0.4082 ( 1162 PWs) bands (ev): -38.6281 -38.6281 -17.7971 -17.7971 -17.3240 -17.3240 -17.1771 -17.1771 -2.6257 -2.6257 5.6563 5.6563 8.3060 8.3060 8.3190 8.3190 10.8234 10.8234 13.9067 13.9067 14.2151 14.2151 14.7158 14.7158 Writing output data file ScN.save init_run : 3.29s CPU 13.05s WALL ( 1 calls) electrons : 200.09s CPU 204.80s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.27s CPU 1.29s WALL ( 1 calls) Called by electrons: c_bands : 200.07s CPU 204.45s WALL ( 1 calls) v_of_rho : 0.12s CPU 0.81s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.09s CPU 0.45s WALL ( 1 calls) newd : 0.17s CPU 0.49s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 429 calls) cegterg : 163.42s CPU 164.59s WALL ( 1013 calls) Called by sum_band: Called by *egterg: h_psi : 74.04s CPU 80.77s WALL ( 17383 calls) s_psi : 3.79s CPU 5.07s WALL ( 17383 calls) g_psi : 0.05s CPU 0.13s WALL ( 15941 calls) cdiaghg : 60.40s CPU 57.09s WALL ( 16370 calls) cegterg:over : 13.34s CPU 10.80s WALL ( 15941 calls) cegterg:upda : 0.25s CPU 1.29s WALL ( 15941 calls) cegterg:last : 0.26s CPU 0.93s WALL ( 2739 calls) Called by h_psi: h_psi:vloc : 63.07s CPU 70.39s WALL ( 17383 calls) h_psi:vnl : 10.95s CPU 10.26s WALL ( 17383 calls) add_vuspsi : 1.27s CPU 3.37s WALL ( 17383 calls) General routines calbec : 9.65s CPU 6.77s WALL ( 17383 calls) fft : 0.27s CPU 1.10s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 61.11s CPU 67.09s WALL ( 798692 calls) interpolate : 0.04s CPU 0.06s WALL ( 4 calls) davcio : 0.02s CPU 1.25s WALL ( 858 calls) Parallel routines fft_scatter : 44.06s CPU 45.84s WALL ( 798715 calls) PWSCF : 3m49.47s CPU 5m40.73s WALL This run was terminated on: 18:46:18 27Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=