Program PWSCF v.5.1.1 starts on 27Aug2015 at 16:55:14 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./OsC.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 17 12 3 338 188 29 Max 18 13 4 343 196 33 Sum 847 583 169 16361 9185 1471 bravais-lattice index = 14 lattice parameter (alat) = 6.1440 a.u. unit-cell volume = 163.9998 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 55.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.144023 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 Os read from file: /home/autes/Pseudo/Os.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 1bcb72221b6b17e70f20dab4cda9aff7 Pseudo is Ultrasoft + core correction, Zval = 16.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1275 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Os 16.00 190.23000 Os( 1.00) C 4.00 12.01070 C( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 455 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021978 k( 2) = ( 0.0072464 -0.0041837 0.0059166), wk = 0.0021978 k( 3) = ( 0.0144928 -0.0083674 0.0118333), wk = 0.0021978 k( 4) = ( 0.0217391 -0.0125511 0.0177499), wk = 0.0021978 k( 5) = ( 0.0289855 -0.0167348 0.0236666), wk = 0.0021978 k( 6) = ( 0.0362319 -0.0209185 0.0295832), wk = 0.0021978 k( 7) = ( 0.0434783 -0.0251022 0.0354999), wk = 0.0021978 k( 8) = ( 0.0507246 -0.0292859 0.0414165), wk = 0.0021978 k( 9) = ( 0.0579710 -0.0334696 0.0473331), wk = 0.0021978 k( 10) = ( 0.0652174 -0.0376533 0.0532498), wk = 0.0021978 k( 11) = ( 0.0724638 -0.0418370 0.0591664), wk = 0.0021978 k( 12) = ( 0.0797101 -0.0460207 0.0650831), wk = 0.0021978 k( 13) = ( 0.0869565 -0.0502044 0.0709997), wk = 0.0021978 k( 14) = ( 0.0942029 -0.0543881 0.0769163), wk = 0.0021978 k( 15) = ( 0.1014493 -0.0585718 0.0828330), wk = 0.0021978 k( 16) = ( 0.1086957 -0.0627555 0.0887496), wk = 0.0021978 k( 17) = ( 0.1159420 -0.0669392 0.0946663), wk = 0.0021978 k( 18) = ( 0.1231884 -0.0711229 0.1005829), wk = 0.0021978 k( 19) = ( 0.1304348 -0.0753066 0.1064996), wk = 0.0021978 k( 20) = ( 0.1376812 -0.0794903 0.1124162), wk = 0.0021978 k( 21) = ( 0.1449275 -0.0836740 0.1183328), wk = 0.0021978 k( 22) = ( 0.1521739 -0.0878576 0.1242495), wk = 0.0021978 k( 23) = ( 0.1594203 -0.0920413 0.1301661), wk = 0.0021978 k( 24) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0021978 k( 25) = ( 0.1739130 -0.1004087 0.1419994), wk = 0.0021978 k( 26) = ( 0.1811594 -0.1045924 0.1479160), wk = 0.0021978 k( 27) = ( 0.1884058 -0.1087761 0.1538327), wk = 0.0021978 k( 28) = ( 0.1956522 -0.1129598 0.1597493), wk = 0.0021978 k( 29) = ( 0.2028986 -0.1171435 0.1656660), wk = 0.0021978 k( 30) = ( 0.2101449 -0.1213272 0.1715826), wk = 0.0021978 k( 31) = ( 0.2173913 -0.1255109 0.1774993), wk = 0.0021978 k( 32) = ( 0.2246377 -0.1296946 0.1834159), wk = 0.0021978 k( 33) = ( 0.2318841 -0.1338783 0.1893325), wk = 0.0021978 k( 34) = ( 0.2391304 -0.1380620 0.1952492), wk = 0.0021978 k( 35) = ( 0.2463768 -0.1422457 0.2011658), wk = 0.0021978 k( 36) = ( 0.2536232 -0.1464294 0.2070825), wk = 0.0021978 k( 37) = ( 0.2608696 -0.1506131 0.2129991), wk = 0.0021978 k( 38) = ( 0.2681159 -0.1547968 0.2189157), wk = 0.0021978 k( 39) = ( 0.2753623 -0.1589805 0.2248324), wk = 0.0021978 k( 40) = ( 0.2826087 -0.1631642 0.2307490), wk = 0.0021978 k( 41) = ( 0.2898551 -0.1673479 0.2366657), wk = 0.0021978 k( 42) = ( 0.2971014 -0.1715316 0.2425823), wk = 0.0021978 k( 43) = ( 0.3043478 -0.1757153 0.2484990), wk = 0.0021978 k( 44) = ( 0.3115942 -0.1798990 0.2544156), wk = 0.0021978 k( 45) = ( 0.3188406 -0.1840827 0.2603322), wk = 0.0021978 k( 46) = ( 0.3260870 -0.1882664 0.2662489), wk = 0.0021978 k( 47) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0021978 k( 48) = ( 0.3405797 -0.1966338 0.2780822), wk = 0.0021978 k( 49) = ( 0.3478261 -0.2008175 0.2839988), wk = 0.0021978 k( 50) = ( 0.3550725 -0.2050012 0.2899154), wk = 0.0021978 k( 51) = ( 0.3623188 -0.2091849 0.2958321), wk = 0.0021978 k( 52) = ( 0.3695652 -0.2133686 0.3017487), wk = 0.0021978 k( 53) = ( 0.3768116 -0.2175523 0.3076654), wk = 0.0021978 k( 54) = ( 0.3840580 -0.2217360 0.3135820), wk = 0.0021978 k( 55) = ( 0.3913044 -0.2259197 0.3194987), wk = 0.0021978 k( 56) = ( 0.3985507 -0.2301034 0.3254153), wk = 0.0021978 k( 57) = ( 0.4057971 -0.2342871 0.3313319), wk = 0.0021978 k( 58) = ( 0.4130435 -0.2384708 0.3372486), wk = 0.0021978 k( 59) = ( 0.4202899 -0.2426545 0.3431652), wk = 0.0021978 k( 60) = ( 0.4275362 -0.2468382 0.3490819), wk = 0.0021978 k( 61) = ( 0.4347826 -0.2510219 0.3549985), wk = 0.0021978 k( 62) = ( 0.4420290 -0.2552056 0.3609152), wk = 0.0021978 k( 63) = ( 0.4492754 -0.2593893 0.3668318), wk = 0.0021978 k( 64) = ( 0.4565217 -0.2635729 0.3727484), wk = 0.0021978 k( 65) = ( 0.4637681 -0.2677566 0.3786651), wk = 0.0021978 k( 66) = ( 0.4710145 -0.2719403 0.3845817), wk = 0.0021978 k( 67) = ( 0.4782609 -0.2761240 0.3904984), wk = 0.0021978 k( 68) = ( 0.4855073 -0.2803077 0.3964150), wk = 0.0021978 k( 69) = ( 0.4927536 -0.2844914 0.4023316), wk = 0.0021978 k( 70) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021978 k( 71) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021978 k( 72) = ( 0.5000000 -0.2804273 0.4140804), wk = 0.0021978 k( 73) = ( 0.5000000 -0.2721794 0.4199125), wk = 0.0021978 k( 74) = ( 0.5000000 -0.2639316 0.4257446), wk = 0.0021978 k( 75) = ( 0.5000000 -0.2556837 0.4315768), wk = 0.0021978 k( 76) = ( 0.5000000 -0.2474358 0.4374089), wk = 0.0021978 k( 77) = ( 0.5000000 -0.2391880 0.4432410), wk = 0.0021978 k( 78) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0021978 k( 79) = ( 0.5000000 -0.2226922 0.4549052), wk = 0.0021978 k( 80) = ( 0.5000000 -0.2144444 0.4607374), wk = 0.0021978 k( 81) = ( 0.5000000 -0.2061965 0.4665695), wk = 0.0021978 k( 82) = ( 0.5000000 -0.1979487 0.4724016), wk = 0.0021978 k( 83) = ( 0.5000000 -0.1897008 0.4782337), wk = 0.0021978 k( 84) = ( 0.5000000 -0.1814529 0.4840658), wk = 0.0021978 k( 85) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0021978 k( 86) = ( 0.5000000 -0.1649572 0.4957301), wk = 0.0021978 k( 87) = ( 0.5000000 -0.1567094 0.5015622), wk = 0.0021978 k( 88) = ( 0.5000000 -0.1484615 0.5073943), wk = 0.0021978 k( 89) = ( 0.5000000 -0.1402136 0.5132264), wk = 0.0021978 k( 90) = ( 0.5000000 -0.1319658 0.5190585), wk = 0.0021978 k( 91) = ( 0.5000000 -0.1237179 0.5248907), wk = 0.0021978 k( 92) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0021978 k( 93) = ( 0.5000000 -0.1072222 0.5365549), wk = 0.0021978 k( 94) = ( 0.5000000 -0.0989743 0.5423870), wk = 0.0021978 k( 95) = ( 0.5000000 -0.0907265 0.5482191), wk = 0.0021978 k( 96) = ( 0.5000000 -0.0824786 0.5540513), wk = 0.0021978 k( 97) = ( 0.5000000 -0.0742307 0.5598834), wk = 0.0021978 k( 98) = ( 0.5000000 -0.0659829 0.5657155), wk = 0.0021978 k( 99) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0021978 k( 100) = ( 0.5000000 -0.0494872 0.5773797), wk = 0.0021978 k( 101) = ( 0.5000000 -0.0412393 0.5832118), wk = 0.0021978 k( 102) = ( 0.5000000 -0.0329914 0.5890440), wk = 0.0021978 k( 103) = ( 0.5000000 -0.0247436 0.5948761), wk = 0.0021978 k( 104) = ( 0.5000000 -0.0164957 0.6007082), wk = 0.0021978 k( 105) = ( 0.5000000 -0.0082479 0.6065403), wk = 0.0021978 k( 106) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021978 k( 107) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021978 k( 108) = ( 0.4950000 0.0086603 0.6123724), wk = 0.0021978 k( 109) = ( 0.4900000 0.0173205 0.6123724), wk = 0.0021978 k( 110) = ( 0.4850000 0.0259808 0.6123724), wk = 0.0021978 k( 111) = ( 0.4800000 0.0346410 0.6123724), wk = 0.0021978 k( 112) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0021978 k( 113) = ( 0.4700000 0.0519615 0.6123724), wk = 0.0021978 k( 114) = ( 0.4650000 0.0606218 0.6123724), wk = 0.0021978 k( 115) = ( 0.4600000 0.0692820 0.6123724), wk = 0.0021978 k( 116) = ( 0.4550000 0.0779423 0.6123724), wk = 0.0021978 k( 117) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0021978 k( 118) = ( 0.4450000 0.0952628 0.6123724), wk = 0.0021978 k( 119) = ( 0.4400000 0.1039230 0.6123724), wk = 0.0021978 k( 120) = ( 0.4350000 0.1125833 0.6123724), wk = 0.0021978 k( 121) = ( 0.4300000 0.1212436 0.6123724), wk = 0.0021978 k( 122) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0021978 k( 123) = ( 0.4200000 0.1385641 0.6123724), wk = 0.0021978 k( 124) = ( 0.4150000 0.1472243 0.6123724), wk = 0.0021978 k( 125) = ( 0.4100000 0.1558846 0.6123724), wk = 0.0021978 k( 126) = ( 0.4050000 0.1645448 0.6123724), wk = 0.0021978 k( 127) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0021978 k( 128) = ( 0.3950000 0.1818653 0.6123724), wk = 0.0021978 k( 129) = ( 0.3900000 0.1905256 0.6123724), wk = 0.0021978 k( 130) = ( 0.3850000 0.1991858 0.6123724), wk = 0.0021978 k( 131) = ( 0.3800000 0.2078461 0.6123724), wk = 0.0021978 k( 132) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021978 k( 133) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021978 k( 134) = ( 0.3698630 0.2135405 0.6039838), wk = 0.0021978 k( 135) = ( 0.3647260 0.2105747 0.5955951), wk = 0.0021978 k( 136) = ( 0.3595890 0.2076088 0.5872064), wk = 0.0021978 k( 137) = ( 0.3544521 0.2046430 0.5788178), wk = 0.0021978 k( 138) = ( 0.3493151 0.2016771 0.5704291), wk = 0.0021978 k( 139) = ( 0.3441781 0.1987113 0.5620405), wk = 0.0021978 k( 140) = ( 0.3390411 0.1957455 0.5536518), wk = 0.0021978 k( 141) = ( 0.3339041 0.1927796 0.5452631), wk = 0.0021978 k( 142) = ( 0.3287671 0.1898138 0.5368745), wk = 0.0021978 k( 143) = ( 0.3236301 0.1868479 0.5284858), wk = 0.0021978 k( 144) = ( 0.3184932 0.1838821 0.5200971), wk = 0.0021978 k( 145) = ( 0.3133562 0.1809163 0.5117085), wk = 0.0021978 k( 146) = ( 0.3082192 0.1779504 0.5033198), wk = 0.0021978 k( 147) = ( 0.3030822 0.1749846 0.4949311), wk = 0.0021978 k( 148) = ( 0.2979452 0.1720187 0.4865425), wk = 0.0021978 k( 149) = ( 0.2928082 0.1690529 0.4781538), wk = 0.0021978 k( 150) = ( 0.2876712 0.1660871 0.4697652), wk = 0.0021978 k( 151) = ( 0.2825342 0.1631212 0.4613765), wk = 0.0021978 k( 152) = ( 0.2773973 0.1601554 0.4529878), wk = 0.0021978 k( 153) = ( 0.2722603 0.1571895 0.4445992), wk = 0.0021978 k( 154) = ( 0.2671233 0.1542237 0.4362105), wk = 0.0021978 k( 155) = ( 0.2619863 0.1512579 0.4278218), wk = 0.0021978 k( 156) = ( 0.2568493 0.1482920 0.4194332), wk = 0.0021978 k( 157) = ( 0.2517123 0.1453262 0.4110445), wk = 0.0021978 k( 158) = ( 0.2465753 0.1423603 0.4026558), wk = 0.0021978 k( 159) = ( 0.2414384 0.1393945 0.3942672), wk = 0.0021978 k( 160) = ( 0.2363014 0.1364287 0.3858785), wk = 0.0021978 k( 161) = ( 0.2311644 0.1334628 0.3774899), wk = 0.0021978 k( 162) = ( 0.2260274 0.1304970 0.3691012), wk = 0.0021978 k( 163) = ( 0.2208904 0.1275311 0.3607125), wk = 0.0021978 k( 164) = ( 0.2157534 0.1245653 0.3523239), wk = 0.0021978 k( 165) = ( 0.2106164 0.1215995 0.3439352), wk = 0.0021978 k( 166) = ( 0.2054795 0.1186336 0.3355465), wk = 0.0021978 k( 167) = ( 0.2003425 0.1156678 0.3271579), wk = 0.0021978 k( 168) = ( 0.1952055 0.1127019 0.3187692), wk = 0.0021978 k( 169) = ( 0.1900685 0.1097361 0.3103806), wk = 0.0021978 k( 170) = ( 0.1849315 0.1067703 0.3019919), wk = 0.0021978 k( 171) = ( 0.1797945 0.1038044 0.2936032), wk = 0.0021978 k( 172) = ( 0.1746575 0.1008386 0.2852146), wk = 0.0021978 k( 173) = ( 0.1695205 0.0978727 0.2768259), wk = 0.0021978 k( 174) = ( 0.1643836 0.0949069 0.2684372), wk = 0.0021978 k( 175) = ( 0.1592466 0.0919411 0.2600486), wk = 0.0021978 k( 176) = ( 0.1541096 0.0889752 0.2516599), wk = 0.0021978 k( 177) = ( 0.1489726 0.0860094 0.2432712), wk = 0.0021978 k( 178) = ( 0.1438356 0.0830435 0.2348826), wk = 0.0021978 k( 179) = ( 0.1386986 0.0800777 0.2264939), wk = 0.0021978 k( 180) = ( 0.1335616 0.0771118 0.2181053), wk = 0.0021978 k( 181) = ( 0.1284247 0.0741460 0.2097166), wk = 0.0021978 k( 182) = ( 0.1232877 0.0711802 0.2013279), wk = 0.0021978 k( 183) = ( 0.1181507 0.0682143 0.1929393), wk = 0.0021978 k( 184) = ( 0.1130137 0.0652485 0.1845506), wk = 0.0021978 k( 185) = ( 0.1078767 0.0622826 0.1761619), wk = 0.0021978 k( 186) = ( 0.1027397 0.0593168 0.1677733), wk = 0.0021978 k( 187) = ( 0.0976027 0.0563510 0.1593846), wk = 0.0021978 k( 188) = ( 0.0924657 0.0533851 0.1509959), wk = 0.0021978 k( 189) = ( 0.0873288 0.0504193 0.1426073), wk = 0.0021978 k( 190) = ( 0.0821918 0.0474534 0.1342186), wk = 0.0021978 k( 191) = ( 0.0770548 0.0444876 0.1258300), wk = 0.0021978 k( 192) = ( 0.0719178 0.0415218 0.1174413), wk = 0.0021978 k( 193) = ( 0.0667808 0.0385559 0.1090526), wk = 0.0021978 k( 194) = ( 0.0616438 0.0355901 0.1006640), wk = 0.0021978 k( 195) = ( 0.0565068 0.0326242 0.0922753), wk = 0.0021978 k( 196) = ( 0.0513699 0.0296584 0.0838866), wk = 0.0021978 k( 197) = ( 0.0462329 0.0266926 0.0754980), wk = 0.0021978 k( 198) = ( 0.0410959 0.0237267 0.0671093), wk = 0.0021978 k( 199) = ( 0.0359589 0.0207609 0.0587207), wk = 0.0021978 k( 200) = ( 0.0308219 0.0177950 0.0503320), wk = 0.0021978 k( 201) = ( 0.0256849 0.0148292 0.0419433), wk = 0.0021978 k( 202) = ( 0.0205479 0.0118634 0.0335546), wk = 0.0021978 k( 203) = ( 0.0154110 0.0088975 0.0251660), wk = 0.0021978 k( 204) = ( 0.0102740 0.0059317 0.0167773), wk = 0.0021978 k( 205) = ( 0.0051370 0.0029658 0.0083887), wk = 0.0021978 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021978 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021978 k( 208) = ( 0.0083333 0.0048113 0.0034021), wk = 0.0021978 k( 209) = ( 0.0166667 0.0096225 0.0068041), wk = 0.0021978 k( 210) = ( 0.0250000 0.0144338 0.0102062), wk = 0.0021978 k( 211) = ( 0.0333333 0.0192450 0.0136083), wk = 0.0021978 k( 212) = ( 0.0416667 0.0240563 0.0170103), wk = 0.0021978 k( 213) = ( 0.0500000 0.0288675 0.0204124), wk = 0.0021978 k( 214) = ( 0.0583333 0.0336788 0.0238145), wk = 0.0021978 k( 215) = ( 0.0666667 0.0384900 0.0272166), wk = 0.0021978 k( 216) = ( 0.0750000 0.0433013 0.0306186), wk = 0.0021978 k( 217) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0021978 k( 218) = ( 0.0916667 0.0529238 0.0374228), wk = 0.0021978 k( 219) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0021978 k( 220) = ( 0.1083333 0.0625463 0.0442269), wk = 0.0021978 k( 221) = ( 0.1166667 0.0673575 0.0476290), wk = 0.0021978 k( 222) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0021978 k( 223) = ( 0.1333333 0.0769800 0.0544331), wk = 0.0021978 k( 224) = ( 0.1416667 0.0817913 0.0578352), wk = 0.0021978 k( 225) = ( 0.1500000 0.0866025 0.0612372), wk = 0.0021978 k( 226) = ( 0.1583333 0.0914138 0.0646393), wk = 0.0021978 k( 227) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0021978 k( 228) = ( 0.1750000 0.1010363 0.0714435), wk = 0.0021978 k( 229) = ( 0.1833333 0.1058475 0.0748455), wk = 0.0021978 k( 230) = ( 0.1916667 0.1106588 0.0782476), wk = 0.0021978 k( 231) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0021978 k( 232) = ( 0.2083333 0.1202813 0.0850517), wk = 0.0021978 k( 233) = ( 0.2166667 0.1250926 0.0884538), wk = 0.0021978 k( 234) = ( 0.2250000 0.1299038 0.0918559), wk = 0.0021978 k( 235) = ( 0.2333333 0.1347151 0.0952579), wk = 0.0021978 k( 236) = ( 0.2416667 0.1395263 0.0986600), wk = 0.0021978 k( 237) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0021978 k( 238) = ( 0.2583333 0.1491488 0.1054641), wk = 0.0021978 k( 239) = ( 0.2666667 0.1539601 0.1088662), wk = 0.0021978 k( 240) = ( 0.2750000 0.1587713 0.1122683), wk = 0.0021978 k( 241) = ( 0.2833333 0.1635826 0.1156703), wk = 0.0021978 k( 242) = ( 0.2916667 0.1683938 0.1190724), wk = 0.0021978 k( 243) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0021978 k( 244) = ( 0.3083333 0.1780163 0.1258766), wk = 0.0021978 k( 245) = ( 0.3166667 0.1828276 0.1292786), wk = 0.0021978 k( 246) = ( 0.3250000 0.1876388 0.1326807), wk = 0.0021978 k( 247) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0021978 k( 248) = ( 0.3416667 0.1972613 0.1394848), wk = 0.0021978 k( 249) = ( 0.3500000 0.2020726 0.1428869), wk = 0.0021978 k( 250) = ( 0.3583333 0.2068838 0.1462890), wk = 0.0021978 k( 251) = ( 0.3666667 0.2116951 0.1496910), wk = 0.0021978 k( 252) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0021978 k( 253) = ( 0.3833333 0.2213176 0.1564952), wk = 0.0021978 k( 254) = ( 0.3916667 0.2261289 0.1598972), wk = 0.0021978 k( 255) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0021978 k( 256) = ( 0.4083333 0.2357514 0.1667014), wk = 0.0021978 k( 257) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0021978 k( 258) = ( 0.4250000 0.2453739 0.1735055), wk = 0.0021978 k( 259) = ( 0.4333333 0.2501851 0.1769076), wk = 0.0021978 k( 260) = ( 0.4416667 0.2549964 0.1803097), wk = 0.0021978 k( 261) = ( 0.4500000 0.2598076 0.1837117), wk = 0.0021978 k( 262) = ( 0.4583333 0.2646189 0.1871138), wk = 0.0021978 k( 263) = ( 0.4666667 0.2694301 0.1905159), wk = 0.0021978 k( 264) = ( 0.4750000 0.2742414 0.1939179), wk = 0.0021978 k( 265) = ( 0.4833333 0.2790526 0.1973200), wk = 0.0021978 k( 266) = ( 0.4916667 0.2838639 0.2007221), wk = 0.0021978 k( 267) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021978 k( 268) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021978 k( 269) = ( 0.5029762 0.2800836 0.2089842), wk = 0.0021978 k( 270) = ( 0.5059524 0.2714921 0.2138443), wk = 0.0021978 k( 271) = ( 0.5089286 0.2629006 0.2187044), wk = 0.0021978 k( 272) = ( 0.5119048 0.2543091 0.2235645), wk = 0.0021978 k( 273) = ( 0.5148810 0.2457175 0.2284246), wk = 0.0021978 k( 274) = ( 0.5178571 0.2371260 0.2332847), wk = 0.0021978 k( 275) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0021978 k( 276) = ( 0.5238095 0.2199430 0.2430049), wk = 0.0021978 k( 277) = ( 0.5267857 0.2113514 0.2478650), wk = 0.0021978 k( 278) = ( 0.5297619 0.2027599 0.2527251), wk = 0.0021978 k( 279) = ( 0.5327381 0.1941684 0.2575852), wk = 0.0021978 k( 280) = ( 0.5357143 0.1855769 0.2624453), wk = 0.0021978 k( 281) = ( 0.5386905 0.1769854 0.2673054), wk = 0.0021978 k( 282) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0021978 k( 283) = ( 0.5446429 0.1598023 0.2770256), wk = 0.0021978 k( 284) = ( 0.5476190 0.1512108 0.2818857), wk = 0.0021978 k( 285) = ( 0.5505952 0.1426193 0.2867458), wk = 0.0021978 k( 286) = ( 0.5535714 0.1340277 0.2916059), wk = 0.0021978 k( 287) = ( 0.5565476 0.1254362 0.2964660), wk = 0.0021978 k( 288) = ( 0.5595238 0.1168447 0.3013261), wk = 0.0021978 k( 289) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0021978 k( 290) = ( 0.5654762 0.0996617 0.3110463), wk = 0.0021978 k( 291) = ( 0.5684524 0.0910701 0.3159064), wk = 0.0021978 k( 292) = ( 0.5714286 0.0824786 0.3207665), wk = 0.0021978 k( 293) = ( 0.5744048 0.0738871 0.3256266), wk = 0.0021978 k( 294) = ( 0.5773810 0.0652956 0.3304867), wk = 0.0021978 k( 295) = ( 0.5803571 0.0567040 0.3353468), wk = 0.0021978 k( 296) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0021978 k( 297) = ( 0.5863095 0.0395210 0.3450670), wk = 0.0021978 k( 298) = ( 0.5892857 0.0309295 0.3499271), wk = 0.0021978 k( 299) = ( 0.5922619 0.0223380 0.3547872), wk = 0.0021978 k( 300) = ( 0.5952381 0.0137464 0.3596473), wk = 0.0021978 k( 301) = ( 0.5982143 0.0051549 0.3645074), wk = 0.0021978 k( 302) = ( 0.6011905 -0.0034366 0.3693675), wk = 0.0021978 k( 303) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0021978 k( 304) = ( 0.6071429 -0.0206196 0.3790877), wk = 0.0021978 k( 305) = ( 0.6101190 -0.0292112 0.3839478), wk = 0.0021978 k( 306) = ( 0.6130952 -0.0378027 0.3888079), wk = 0.0021978 k( 307) = ( 0.6160714 -0.0463942 0.3936680), wk = 0.0021978 k( 308) = ( 0.6190476 -0.0549857 0.3985281), wk = 0.0021978 k( 309) = ( 0.6220238 -0.0635773 0.4033882), wk = 0.0021978 k( 310) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021978 k( 311) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021978 k( 312) = ( 0.6200000 -0.0692820 0.4164133), wk = 0.0021978 k( 313) = ( 0.6150000 -0.0663953 0.4245782), wk = 0.0021978 k( 314) = ( 0.6100000 -0.0635085 0.4327432), wk = 0.0021978 k( 315) = ( 0.6050000 -0.0606218 0.4409082), wk = 0.0021978 k( 316) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0021978 k( 317) = ( 0.5950000 -0.0548483 0.4572381), wk = 0.0021978 k( 318) = ( 0.5900000 -0.0519615 0.4654031), wk = 0.0021978 k( 319) = ( 0.5850000 -0.0490748 0.4735680), wk = 0.0021978 k( 320) = ( 0.5800000 -0.0461880 0.4817330), wk = 0.0021978 k( 321) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0021978 k( 322) = ( 0.5700000 -0.0404145 0.4980629), wk = 0.0021978 k( 323) = ( 0.5650000 -0.0375278 0.5062279), wk = 0.0021978 k( 324) = ( 0.5600000 -0.0346410 0.5143928), wk = 0.0021978 k( 325) = ( 0.5550000 -0.0317543 0.5225578), wk = 0.0021978 k( 326) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0021978 k( 327) = ( 0.5450000 -0.0259808 0.5388877), wk = 0.0021978 k( 328) = ( 0.5400000 -0.0230940 0.5470527), wk = 0.0021978 k( 329) = ( 0.5350000 -0.0202073 0.5552177), wk = 0.0021978 k( 330) = ( 0.5300000 -0.0173205 0.5633826), wk = 0.0021978 k( 331) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0021978 k( 332) = ( 0.5200000 -0.0115470 0.5797126), wk = 0.0021978 k( 333) = ( 0.5150000 -0.0086603 0.5878775), wk = 0.0021978 k( 334) = ( 0.5100000 -0.0057735 0.5960425), wk = 0.0021978 k( 335) = ( 0.5050000 -0.0028868 0.6042075), wk = 0.0021978 k( 336) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021978 k( 337) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021978 k( 338) = ( 0.5000000 0.0058913 0.6040408), wk = 0.0021978 k( 339) = ( 0.5000000 0.0117827 0.5957092), wk = 0.0021978 k( 340) = ( 0.5000000 0.0176740 0.5873776), wk = 0.0021978 k( 341) = ( 0.5000000 0.0235653 0.5790460), wk = 0.0021978 k( 342) = ( 0.5000000 0.0294566 0.5707145), wk = 0.0021978 k( 343) = ( 0.5000000 0.0353480 0.5623829), wk = 0.0021978 k( 344) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0021978 k( 345) = ( 0.5000000 0.0471306 0.5457196), wk = 0.0021978 k( 346) = ( 0.5000000 0.0530220 0.5373881), wk = 0.0021978 k( 347) = ( 0.5000000 0.0589133 0.5290565), wk = 0.0021978 k( 348) = ( 0.5000000 0.0648046 0.5207249), wk = 0.0021978 k( 349) = ( 0.5000000 0.0706960 0.5123933), wk = 0.0021978 k( 350) = ( 0.5000000 0.0765873 0.5040617), wk = 0.0021978 k( 351) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0021978 k( 352) = ( 0.5000000 0.0883699 0.4873985), wk = 0.0021978 k( 353) = ( 0.5000000 0.0942613 0.4790669), wk = 0.0021978 k( 354) = ( 0.5000000 0.1001526 0.4707353), wk = 0.0021978 k( 355) = ( 0.5000000 0.1060439 0.4624037), wk = 0.0021978 k( 356) = ( 0.5000000 0.1119353 0.4540721), wk = 0.0021978 k( 357) = ( 0.5000000 0.1178266 0.4457405), wk = 0.0021978 k( 358) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0021978 k( 359) = ( 0.5000000 0.1296092 0.4290773), wk = 0.0021978 k( 360) = ( 0.5000000 0.1355006 0.4207457), wk = 0.0021978 k( 361) = ( 0.5000000 0.1413919 0.4124141), wk = 0.0021978 k( 362) = ( 0.5000000 0.1472832 0.4040825), wk = 0.0021978 k( 363) = ( 0.5000000 0.1531746 0.3957509), wk = 0.0021978 k( 364) = ( 0.5000000 0.1590659 0.3874193), wk = 0.0021978 k( 365) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0021978 k( 366) = ( 0.5000000 0.1708485 0.3707561), wk = 0.0021978 k( 367) = ( 0.5000000 0.1767399 0.3624245), wk = 0.0021978 k( 368) = ( 0.5000000 0.1826312 0.3540929), wk = 0.0021978 k( 369) = ( 0.5000000 0.1885225 0.3457613), wk = 0.0021978 k( 370) = ( 0.5000000 0.1944139 0.3374297), wk = 0.0021978 k( 371) = ( 0.5000000 0.2003052 0.3290981), wk = 0.0021978 k( 372) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0021978 k( 373) = ( 0.5000000 0.2120879 0.3124349), wk = 0.0021978 k( 374) = ( 0.5000000 0.2179792 0.3041033), wk = 0.0021978 k( 375) = ( 0.5000000 0.2238705 0.2957717), wk = 0.0021978 k( 376) = ( 0.5000000 0.2297618 0.2874401), wk = 0.0021978 k( 377) = ( 0.5000000 0.2356532 0.2791085), wk = 0.0021978 k( 378) = ( 0.5000000 0.2415445 0.2707769), wk = 0.0021978 k( 379) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0021978 k( 380) = ( 0.5000000 0.2533272 0.2541137), wk = 0.0021978 k( 381) = ( 0.5000000 0.2592185 0.2457821), wk = 0.0021978 k( 382) = ( 0.5000000 0.2651098 0.2374505), wk = 0.0021978 k( 383) = ( 0.5000000 0.2710011 0.2291189), wk = 0.0021978 k( 384) = ( 0.5000000 0.2768925 0.2207873), wk = 0.0021978 k( 385) = ( 0.5000000 0.2827838 0.2124557), wk = 0.0021978 k( 386) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021978 k( 387) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021978 k( 388) = ( 0.4970238 0.2869568 0.2138443), wk = 0.0021978 k( 389) = ( 0.4940476 0.2852385 0.2235645), wk = 0.0021978 k( 390) = ( 0.4910714 0.2835202 0.2332847), wk = 0.0021978 k( 391) = ( 0.4880952 0.2818019 0.2430049), wk = 0.0021978 k( 392) = ( 0.4851190 0.2800836 0.2527251), wk = 0.0021978 k( 393) = ( 0.4821429 0.2783653 0.2624453), wk = 0.0021978 k( 394) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0021978 k( 395) = ( 0.4761905 0.2749287 0.2818857), wk = 0.0021978 k( 396) = ( 0.4732143 0.2732104 0.2916059), wk = 0.0021978 k( 397) = ( 0.4702381 0.2714921 0.3013261), wk = 0.0021978 k( 398) = ( 0.4672619 0.2697738 0.3110463), wk = 0.0021978 k( 399) = ( 0.4642857 0.2680555 0.3207665), wk = 0.0021978 k( 400) = ( 0.4613095 0.2663372 0.3304867), wk = 0.0021978 k( 401) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0021978 k( 402) = ( 0.4553571 0.2629006 0.3499271), wk = 0.0021978 k( 403) = ( 0.4523810 0.2611823 0.3596473), wk = 0.0021978 k( 404) = ( 0.4494048 0.2594640 0.3693675), wk = 0.0021978 k( 405) = ( 0.4464286 0.2577457 0.3790877), wk = 0.0021978 k( 406) = ( 0.4434524 0.2560274 0.3888079), wk = 0.0021978 k( 407) = ( 0.4404762 0.2543090 0.3985281), wk = 0.0021978 k( 408) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0021978 k( 409) = ( 0.4345238 0.2508724 0.4179685), wk = 0.0021978 k( 410) = ( 0.4315476 0.2491541 0.4276887), wk = 0.0021978 k( 411) = ( 0.4285714 0.2474358 0.4374089), wk = 0.0021978 k( 412) = ( 0.4255952 0.2457175 0.4471291), wk = 0.0021978 k( 413) = ( 0.4226190 0.2439992 0.4568493), wk = 0.0021978 k( 414) = ( 0.4196429 0.2422809 0.4665695), wk = 0.0021978 k( 415) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0021978 k( 416) = ( 0.4136905 0.2388443 0.4860099), wk = 0.0021978 k( 417) = ( 0.4107143 0.2371260 0.4957301), wk = 0.0021978 k( 418) = ( 0.4077381 0.2354077 0.5054503), wk = 0.0021978 k( 419) = ( 0.4047619 0.2336894 0.5151705), wk = 0.0021978 k( 420) = ( 0.4017857 0.2319711 0.5248907), wk = 0.0021978 k( 421) = ( 0.3988095 0.2302528 0.5346109), wk = 0.0021978 k( 422) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0021978 k( 423) = ( 0.3928571 0.2268162 0.5540512), wk = 0.0021978 k( 424) = ( 0.3898810 0.2250979 0.5637715), wk = 0.0021978 k( 425) = ( 0.3869048 0.2233796 0.5734917), wk = 0.0021978 k( 426) = ( 0.3839286 0.2216613 0.5832118), wk = 0.0021978 k( 427) = ( 0.3809524 0.2199430 0.5929320), wk = 0.0021978 k( 428) = ( 0.3779762 0.2182247 0.6026522), wk = 0.0021978 k( 429) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021978 k( 430) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021978 k( 431) = ( 0.6200000 -0.0808290 0.4082483), wk = 0.0021978 k( 432) = ( 0.6150000 -0.0894893 0.4082483), wk = 0.0021978 k( 433) = ( 0.6100000 -0.0981495 0.4082483), wk = 0.0021978 k( 434) = ( 0.6050000 -0.1068098 0.4082483), wk = 0.0021978 k( 435) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0021978 k( 436) = ( 0.5950000 -0.1241303 0.4082483), wk = 0.0021978 k( 437) = ( 0.5900000 -0.1327906 0.4082483), wk = 0.0021978 k( 438) = ( 0.5850000 -0.1414508 0.4082483), wk = 0.0021978 k( 439) = ( 0.5800000 -0.1501111 0.4082483), wk = 0.0021978 k( 440) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0021978 k( 441) = ( 0.5700000 -0.1674316 0.4082483), wk = 0.0021978 k( 442) = ( 0.5650000 -0.1760918 0.4082483), wk = 0.0021978 k( 443) = ( 0.5600000 -0.1847521 0.4082483), wk = 0.0021978 k( 444) = ( 0.5550000 -0.1934123 0.4082483), wk = 0.0021978 k( 445) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0021978 k( 446) = ( 0.5450000 -0.2107328 0.4082483), wk = 0.0021978 k( 447) = ( 0.5400000 -0.2193931 0.4082483), wk = 0.0021978 k( 448) = ( 0.5350000 -0.2280534 0.4082483), wk = 0.0021978 k( 449) = ( 0.5300000 -0.2367136 0.4082483), wk = 0.0021978 k( 450) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0021978 k( 451) = ( 0.5200000 -0.2540341 0.4082483), wk = 0.0021978 k( 452) = ( 0.5150000 -0.2626944 0.4082483), wk = 0.0021978 k( 453) = ( 0.5100000 -0.2713546 0.4082483), wk = 0.0021978 k( 454) = ( 0.5050000 -0.2800149 0.4082483), wk = 0.0021978 k( 455) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021978 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021978 k( 2) = ( 0.0072464 -0.0000000 0.0072464), wk = 0.0021978 k( 3) = ( 0.0144928 0.0000000 0.0144928), wk = 0.0021978 k( 4) = ( 0.0217391 -0.0000000 0.0217391), wk = 0.0021978 k( 5) = ( 0.0289855 -0.0000000 0.0289855), wk = 0.0021978 k( 6) = ( 0.0362319 -0.0000000 0.0362319), wk = 0.0021978 k( 7) = ( 0.0434783 -0.0000000 0.0434783), wk = 0.0021978 k( 8) = ( 0.0507246 0.0000000 0.0507246), wk = 0.0021978 k( 9) = ( 0.0579710 0.0000000 0.0579710), wk = 0.0021978 k( 10) = ( 0.0652174 0.0000000 0.0652174), wk = 0.0021978 k( 11) = ( 0.0724638 -0.0000000 0.0724638), wk = 0.0021978 k( 12) = ( 0.0797101 0.0000000 0.0797101), wk = 0.0021978 k( 13) = ( 0.0869565 -0.0000000 0.0869565), wk = 0.0021978 k( 14) = ( 0.0942029 0.0000000 0.0942029), wk = 0.0021978 k( 15) = ( 0.1014493 0.0000000 0.1014493), wk = 0.0021978 k( 16) = ( 0.1086957 0.0000000 0.1086957), wk = 0.0021978 k( 17) = ( 0.1159420 -0.0000000 0.1159420), wk = 0.0021978 k( 18) = ( 0.1231884 -0.0000000 0.1231884), wk = 0.0021978 k( 19) = ( 0.1304348 0.0000000 0.1304348), wk = 0.0021978 k( 20) = ( 0.1376812 0.0000000 0.1376812), wk = 0.0021978 k( 21) = ( 0.1449275 -0.0000000 0.1449275), wk = 0.0021978 k( 22) = ( 0.1521739 -0.0000000 0.1521739), wk = 0.0021978 k( 23) = ( 0.1594203 0.0000000 0.1594203), wk = 0.0021978 k( 24) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0021978 k( 25) = ( 0.1739130 -0.0000000 0.1739130), wk = 0.0021978 k( 26) = ( 0.1811594 0.0000000 0.1811594), wk = 0.0021978 k( 27) = ( 0.1884058 0.0000000 0.1884058), wk = 0.0021978 k( 28) = ( 0.1956522 0.0000000 0.1956522), wk = 0.0021978 k( 29) = ( 0.2028986 0.0000000 0.2028986), wk = 0.0021978 k( 30) = ( 0.2101449 0.0000000 0.2101449), wk = 0.0021978 k( 31) = ( 0.2173913 0.0000000 0.2173913), wk = 0.0021978 k( 32) = ( 0.2246377 0.0000000 0.2246377), wk = 0.0021978 k( 33) = ( 0.2318841 -0.0000000 0.2318841), wk = 0.0021978 k( 34) = ( 0.2391304 0.0000000 0.2391304), wk = 0.0021978 k( 35) = ( 0.2463768 0.0000000 0.2463768), wk = 0.0021978 k( 36) = ( 0.2536232 0.0000000 0.2536232), wk = 0.0021978 k( 37) = ( 0.2608696 0.0000000 0.2608696), wk = 0.0021978 k( 38) = ( 0.2681159 0.0000000 0.2681159), wk = 0.0021978 k( 39) = ( 0.2753623 0.0000000 0.2753623), wk = 0.0021978 k( 40) = ( 0.2826087 0.0000000 0.2826087), wk = 0.0021978 k( 41) = ( 0.2898551 0.0000000 0.2898551), wk = 0.0021978 k( 42) = ( 0.2971014 0.0000000 0.2971015), wk = 0.0021978 k( 43) = ( 0.3043478 0.0000000 0.3043478), wk = 0.0021978 k( 44) = ( 0.3115942 0.0000000 0.3115942), wk = 0.0021978 k( 45) = ( 0.3188406 0.0000000 0.3188406), wk = 0.0021978 k( 46) = ( 0.3260870 -0.0000000 0.3260870), wk = 0.0021978 k( 47) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0021978 k( 48) = ( 0.3405797 0.0000000 0.3405797), wk = 0.0021978 k( 49) = ( 0.3478261 -0.0000000 0.3478261), wk = 0.0021978 k( 50) = ( 0.3550725 -0.0000000 0.3550725), wk = 0.0021978 k( 51) = ( 0.3623188 0.0000000 0.3623188), wk = 0.0021978 k( 52) = ( 0.3695652 0.0000000 0.3695652), wk = 0.0021978 k( 53) = ( 0.3768116 0.0000000 0.3768116), wk = 0.0021978 k( 54) = ( 0.3840580 0.0000000 0.3840580), wk = 0.0021978 k( 55) = ( 0.3913044 0.0000000 0.3913044), wk = 0.0021978 k( 56) = ( 0.3985507 0.0000000 0.3985507), wk = 0.0021978 k( 57) = ( 0.4057971 0.0000000 0.4057971), wk = 0.0021978 k( 58) = ( 0.4130435 0.0000000 0.4130435), wk = 0.0021978 k( 59) = ( 0.4202899 0.0000000 0.4202899), wk = 0.0021978 k( 60) = ( 0.4275362 0.0000000 0.4275362), wk = 0.0021978 k( 61) = ( 0.4347826 0.0000000 0.4347826), wk = 0.0021978 k( 62) = ( 0.4420290 0.0000000 0.4420290), wk = 0.0021978 k( 63) = ( 0.4492754 0.0000000 0.4492754), wk = 0.0021978 k( 64) = ( 0.4565217 0.0000000 0.4565217), wk = 0.0021978 k( 65) = ( 0.4637681 -0.0000000 0.4637681), wk = 0.0021978 k( 66) = ( 0.4710145 -0.0000000 0.4710145), wk = 0.0021978 k( 67) = ( 0.4782609 0.0000000 0.4782609), wk = 0.0021978 k( 68) = ( 0.4855073 0.0000000 0.4855073), wk = 0.0021978 k( 69) = ( 0.4927536 0.0000000 0.4927536), wk = 0.0021978 k( 70) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021978 k( 71) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021978 k( 72) = ( 0.5000000 0.0071429 0.5071429), wk = 0.0021978 k( 73) = ( 0.5000000 0.0142857 0.5142857), wk = 0.0021978 k( 74) = ( 0.5000000 0.0214286 0.5214286), wk = 0.0021978 k( 75) = ( 0.5000000 0.0285714 0.5285714), wk = 0.0021978 k( 76) = ( 0.5000000 0.0357143 0.5357143), wk = 0.0021978 k( 77) = ( 0.5000000 0.0428571 0.5428571), wk = 0.0021978 k( 78) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0021978 k( 79) = ( 0.5000000 0.0571429 0.5571429), wk = 0.0021978 k( 80) = ( 0.5000000 0.0642857 0.5642857), wk = 0.0021978 k( 81) = ( 0.5000000 0.0714286 0.5714286), wk = 0.0021978 k( 82) = ( 0.5000000 0.0785714 0.5785714), wk = 0.0021978 k( 83) = ( 0.5000000 0.0857143 0.5857143), wk = 0.0021978 k( 84) = ( 0.5000000 0.0928571 0.5928571), wk = 0.0021978 k( 85) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0021978 k( 86) = ( 0.5000000 0.1071429 0.6071429), wk = 0.0021978 k( 87) = ( 0.5000000 0.1142857 0.6142857), wk = 0.0021978 k( 88) = ( 0.5000000 0.1214286 0.6214286), wk = 0.0021978 k( 89) = ( 0.5000000 0.1285714 0.6285714), wk = 0.0021978 k( 90) = ( 0.5000000 0.1357143 0.6357143), wk = 0.0021978 k( 91) = ( 0.5000000 0.1428571 0.6428571), wk = 0.0021978 k( 92) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0021978 k( 93) = ( 0.5000000 0.1571429 0.6571429), wk = 0.0021978 k( 94) = ( 0.5000000 0.1642857 0.6642857), wk = 0.0021978 k( 95) = ( 0.5000000 0.1714286 0.6714286), wk = 0.0021978 k( 96) = ( 0.5000000 0.1785714 0.6785714), wk = 0.0021978 k( 97) = ( 0.5000000 0.1857143 0.6857143), wk = 0.0021978 k( 98) = ( 0.5000000 0.1928571 0.6928571), wk = 0.0021978 k( 99) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0021978 k( 100) = ( 0.5000000 0.2071429 0.7071429), wk = 0.0021978 k( 101) = ( 0.5000000 0.2142857 0.7142857), wk = 0.0021978 k( 102) = ( 0.5000000 0.2214286 0.7214286), wk = 0.0021978 k( 103) = ( 0.5000000 0.2285714 0.7285714), wk = 0.0021978 k( 104) = ( 0.5000000 0.2357143 0.7357143), wk = 0.0021978 k( 105) = ( 0.5000000 0.2428571 0.7428571), wk = 0.0021978 k( 106) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021978 k( 107) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021978 k( 108) = ( 0.4950000 0.2550000 0.7500000), wk = 0.0021978 k( 109) = ( 0.4900000 0.2600000 0.7500000), wk = 0.0021978 k( 110) = ( 0.4850000 0.2650000 0.7500000), wk = 0.0021978 k( 111) = ( 0.4800000 0.2700000 0.7500000), wk = 0.0021978 k( 112) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0021978 k( 113) = ( 0.4700000 0.2800000 0.7500000), wk = 0.0021978 k( 114) = ( 0.4650000 0.2850000 0.7500000), wk = 0.0021978 k( 115) = ( 0.4600000 0.2900000 0.7500000), wk = 0.0021978 k( 116) = ( 0.4550000 0.2950000 0.7500000), wk = 0.0021978 k( 117) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0021978 k( 118) = ( 0.4450000 0.3050000 0.7500000), wk = 0.0021978 k( 119) = ( 0.4400000 0.3100000 0.7500000), wk = 0.0021978 k( 120) = ( 0.4350000 0.3150000 0.7500000), wk = 0.0021978 k( 121) = ( 0.4300000 0.3200000 0.7500000), wk = 0.0021978 k( 122) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0021978 k( 123) = ( 0.4200000 0.3300000 0.7500000), wk = 0.0021978 k( 124) = ( 0.4150000 0.3350000 0.7500000), wk = 0.0021978 k( 125) = ( 0.4100000 0.3400000 0.7500000), wk = 0.0021978 k( 126) = ( 0.4050000 0.3450000 0.7500000), wk = 0.0021978 k( 127) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0021978 k( 128) = ( 0.3950000 0.3550000 0.7500000), wk = 0.0021978 k( 129) = ( 0.3900000 0.3600000 0.7500000), wk = 0.0021978 k( 130) = ( 0.3850000 0.3650000 0.7500000), wk = 0.0021978 k( 131) = ( 0.3800000 0.3700000 0.7500000), wk = 0.0021978 k( 132) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021978 k( 133) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021978 k( 134) = ( 0.3698630 0.3698630 0.7397260), wk = 0.0021978 k( 135) = ( 0.3647260 0.3647260 0.7294521), wk = 0.0021978 k( 136) = ( 0.3595890 0.3595890 0.7191781), wk = 0.0021978 k( 137) = ( 0.3544521 0.3544521 0.7089041), wk = 0.0021978 k( 138) = ( 0.3493151 0.3493151 0.6986301), wk = 0.0021978 k( 139) = ( 0.3441781 0.3441781 0.6883562), wk = 0.0021978 k( 140) = ( 0.3390411 0.3390411 0.6780822), wk = 0.0021978 k( 141) = ( 0.3339041 0.3339041 0.6678082), wk = 0.0021978 k( 142) = ( 0.3287671 0.3287671 0.6575343), wk = 0.0021978 k( 143) = ( 0.3236301 0.3236301 0.6472603), wk = 0.0021978 k( 144) = ( 0.3184932 0.3184932 0.6369863), wk = 0.0021978 k( 145) = ( 0.3133562 0.3133562 0.6267123), wk = 0.0021978 k( 146) = ( 0.3082192 0.3082192 0.6164384), wk = 0.0021978 k( 147) = ( 0.3030822 0.3030822 0.6061644), wk = 0.0021978 k( 148) = ( 0.2979452 0.2979452 0.5958904), wk = 0.0021978 k( 149) = ( 0.2928082 0.2928082 0.5856164), wk = 0.0021978 k( 150) = ( 0.2876712 0.2876712 0.5753425), wk = 0.0021978 k( 151) = ( 0.2825342 0.2825342 0.5650685), wk = 0.0021978 k( 152) = ( 0.2773973 0.2773973 0.5547945), wk = 0.0021978 k( 153) = ( 0.2722603 0.2722603 0.5445206), wk = 0.0021978 k( 154) = ( 0.2671233 0.2671233 0.5342466), wk = 0.0021978 k( 155) = ( 0.2619863 0.2619863 0.5239726), wk = 0.0021978 k( 156) = ( 0.2568493 0.2568493 0.5136986), wk = 0.0021978 k( 157) = ( 0.2517123 0.2517123 0.5034247), wk = 0.0021978 k( 158) = ( 0.2465753 0.2465753 0.4931507), wk = 0.0021978 k( 159) = ( 0.2414384 0.2414384 0.4828767), wk = 0.0021978 k( 160) = ( 0.2363014 0.2363014 0.4726027), wk = 0.0021978 k( 161) = ( 0.2311644 0.2311644 0.4623288), wk = 0.0021978 k( 162) = ( 0.2260274 0.2260274 0.4520548), wk = 0.0021978 k( 163) = ( 0.2208904 0.2208904 0.4417808), wk = 0.0021978 k( 164) = ( 0.2157534 0.2157534 0.4315069), wk = 0.0021978 k( 165) = ( 0.2106164 0.2106164 0.4212329), wk = 0.0021978 k( 166) = ( 0.2054795 0.2054795 0.4109589), wk = 0.0021978 k( 167) = ( 0.2003425 0.2003425 0.4006849), wk = 0.0021978 k( 168) = ( 0.1952055 0.1952055 0.3904110), wk = 0.0021978 k( 169) = ( 0.1900685 0.1900685 0.3801370), wk = 0.0021978 k( 170) = ( 0.1849315 0.1849315 0.3698630), wk = 0.0021978 k( 171) = ( 0.1797945 0.1797945 0.3595890), wk = 0.0021978 k( 172) = ( 0.1746575 0.1746575 0.3493151), wk = 0.0021978 k( 173) = ( 0.1695205 0.1695205 0.3390411), wk = 0.0021978 k( 174) = ( 0.1643836 0.1643836 0.3287671), wk = 0.0021978 k( 175) = ( 0.1592466 0.1592466 0.3184932), wk = 0.0021978 k( 176) = ( 0.1541096 0.1541096 0.3082192), wk = 0.0021978 k( 177) = ( 0.1489726 0.1489726 0.2979452), wk = 0.0021978 k( 178) = ( 0.1438356 0.1438356 0.2876712), wk = 0.0021978 k( 179) = ( 0.1386986 0.1386986 0.2773973), wk = 0.0021978 k( 180) = ( 0.1335616 0.1335616 0.2671233), wk = 0.0021978 k( 181) = ( 0.1284247 0.1284247 0.2568493), wk = 0.0021978 k( 182) = ( 0.1232877 0.1232877 0.2465753), wk = 0.0021978 k( 183) = ( 0.1181507 0.1181507 0.2363014), wk = 0.0021978 k( 184) = ( 0.1130137 0.1130137 0.2260274), wk = 0.0021978 k( 185) = ( 0.1078767 0.1078767 0.2157534), wk = 0.0021978 k( 186) = ( 0.1027397 0.1027397 0.2054795), wk = 0.0021978 k( 187) = ( 0.0976027 0.0976027 0.1952055), wk = 0.0021978 k( 188) = ( 0.0924657 0.0924658 0.1849315), wk = 0.0021978 k( 189) = ( 0.0873288 0.0873288 0.1746575), wk = 0.0021978 k( 190) = ( 0.0821918 0.0821918 0.1643836), wk = 0.0021978 k( 191) = ( 0.0770548 0.0770548 0.1541096), wk = 0.0021978 k( 192) = ( 0.0719178 0.0719178 0.1438356), wk = 0.0021978 k( 193) = ( 0.0667808 0.0667808 0.1335616), wk = 0.0021978 k( 194) = ( 0.0616438 0.0616438 0.1232877), wk = 0.0021978 k( 195) = ( 0.0565068 0.0565068 0.1130137), wk = 0.0021978 k( 196) = ( 0.0513699 0.0513699 0.1027397), wk = 0.0021978 k( 197) = ( 0.0462329 0.0462329 0.0924658), wk = 0.0021978 k( 198) = ( 0.0410959 0.0410959 0.0821918), wk = 0.0021978 k( 199) = ( 0.0359589 0.0359589 0.0719178), wk = 0.0021978 k( 200) = ( 0.0308219 0.0308219 0.0616438), wk = 0.0021978 k( 201) = ( 0.0256849 0.0256849 0.0513699), wk = 0.0021978 k( 202) = ( 0.0205479 0.0205480 0.0410959), wk = 0.0021978 k( 203) = ( 0.0154110 0.0154110 0.0308219), wk = 0.0021978 k( 204) = ( 0.0102740 0.0102740 0.0205480), wk = 0.0021978 k( 205) = ( 0.0051370 0.0051370 0.0102740), wk = 0.0021978 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021978 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021978 k( 208) = ( 0.0083333 0.0083333 0.0083333), wk = 0.0021978 k( 209) = ( 0.0166667 0.0166667 0.0166667), wk = 0.0021978 k( 210) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0021978 k( 211) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0021978 k( 212) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0021978 k( 213) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0021978 k( 214) = ( 0.0583333 0.0583333 0.0583333), wk = 0.0021978 k( 215) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0021978 k( 216) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0021978 k( 217) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0021978 k( 218) = ( 0.0916667 0.0916667 0.0916667), wk = 0.0021978 k( 219) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0021978 k( 220) = ( 0.1083333 0.1083333 0.1083333), wk = 0.0021978 k( 221) = ( 0.1166667 0.1166667 0.1166667), wk = 0.0021978 k( 222) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0021978 k( 223) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0021978 k( 224) = ( 0.1416667 0.1416667 0.1416667), wk = 0.0021978 k( 225) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0021978 k( 226) = ( 0.1583333 0.1583333 0.1583333), wk = 0.0021978 k( 227) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0021978 k( 228) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0021978 k( 229) = ( 0.1833333 0.1833333 0.1833333), wk = 0.0021978 k( 230) = ( 0.1916667 0.1916667 0.1916667), wk = 0.0021978 k( 231) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0021978 k( 232) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0021978 k( 233) = ( 0.2166667 0.2166667 0.2166667), wk = 0.0021978 k( 234) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0021978 k( 235) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0021978 k( 236) = ( 0.2416667 0.2416667 0.2416667), wk = 0.0021978 k( 237) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021978 k( 238) = ( 0.2583333 0.2583333 0.2583333), wk = 0.0021978 k( 239) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0021978 k( 240) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0021978 k( 241) = ( 0.2833333 0.2833333 0.2833333), wk = 0.0021978 k( 242) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0021978 k( 243) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0021978 k( 244) = ( 0.3083333 0.3083333 0.3083333), wk = 0.0021978 k( 245) = ( 0.3166667 0.3166667 0.3166667), wk = 0.0021978 k( 246) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0021978 k( 247) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0021978 k( 248) = ( 0.3416667 0.3416667 0.3416667), wk = 0.0021978 k( 249) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0021978 k( 250) = ( 0.3583333 0.3583333 0.3583333), wk = 0.0021978 k( 251) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0021978 k( 252) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0021978 k( 253) = ( 0.3833333 0.3833333 0.3833333), wk = 0.0021978 k( 254) = ( 0.3916667 0.3916667 0.3916667), wk = 0.0021978 k( 255) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0021978 k( 256) = ( 0.4083333 0.4083333 0.4083333), wk = 0.0021978 k( 257) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0021978 k( 258) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0021978 k( 259) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0021978 k( 260) = ( 0.4416667 0.4416667 0.4416667), wk = 0.0021978 k( 261) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0021978 k( 262) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0021978 k( 263) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0021978 k( 264) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0021978 k( 265) = ( 0.4833333 0.4833333 0.4833333), wk = 0.0021978 k( 266) = ( 0.4916667 0.4916667 0.4916667), wk = 0.0021978 k( 267) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021978 k( 268) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021978 k( 269) = ( 0.5029762 0.4940476 0.5029762), wk = 0.0021978 k( 270) = ( 0.5059524 0.4880952 0.5059524), wk = 0.0021978 k( 271) = ( 0.5089286 0.4821429 0.5089286), wk = 0.0021978 k( 272) = ( 0.5119048 0.4761905 0.5119048), wk = 0.0021978 k( 273) = ( 0.5148810 0.4702381 0.5148810), wk = 0.0021978 k( 274) = ( 0.5178571 0.4642857 0.5178571), wk = 0.0021978 k( 275) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0021978 k( 276) = ( 0.5238095 0.4523810 0.5238095), wk = 0.0021978 k( 277) = ( 0.5267857 0.4464286 0.5267857), wk = 0.0021978 k( 278) = ( 0.5297619 0.4404762 0.5297619), wk = 0.0021978 k( 279) = ( 0.5327381 0.4345238 0.5327381), wk = 0.0021978 k( 280) = ( 0.5357143 0.4285714 0.5357143), wk = 0.0021978 k( 281) = ( 0.5386905 0.4226190 0.5386905), wk = 0.0021978 k( 282) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0021978 k( 283) = ( 0.5446429 0.4107143 0.5446429), wk = 0.0021978 k( 284) = ( 0.5476190 0.4047619 0.5476190), wk = 0.0021978 k( 285) = ( 0.5505952 0.3988095 0.5505952), wk = 0.0021978 k( 286) = ( 0.5535714 0.3928571 0.5535714), wk = 0.0021978 k( 287) = ( 0.5565476 0.3869048 0.5565476), wk = 0.0021978 k( 288) = ( 0.5595238 0.3809524 0.5595238), wk = 0.0021978 k( 289) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0021978 k( 290) = ( 0.5654762 0.3690476 0.5654762), wk = 0.0021978 k( 291) = ( 0.5684524 0.3630952 0.5684524), wk = 0.0021978 k( 292) = ( 0.5714286 0.3571429 0.5714286), wk = 0.0021978 k( 293) = ( 0.5744048 0.3511905 0.5744048), wk = 0.0021978 k( 294) = ( 0.5773810 0.3452381 0.5773810), wk = 0.0021978 k( 295) = ( 0.5803571 0.3392857 0.5803571), wk = 0.0021978 k( 296) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0021978 k( 297) = ( 0.5863095 0.3273810 0.5863095), wk = 0.0021978 k( 298) = ( 0.5892857 0.3214286 0.5892857), wk = 0.0021978 k( 299) = ( 0.5922619 0.3154762 0.5922619), wk = 0.0021978 k( 300) = ( 0.5952381 0.3095238 0.5952381), wk = 0.0021978 k( 301) = ( 0.5982143 0.3035714 0.5982143), wk = 0.0021978 k( 302) = ( 0.6011905 0.2976190 0.6011905), wk = 0.0021978 k( 303) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0021978 k( 304) = ( 0.6071429 0.2857143 0.6071429), wk = 0.0021978 k( 305) = ( 0.6101190 0.2797619 0.6101191), wk = 0.0021978 k( 306) = ( 0.6130952 0.2738095 0.6130952), wk = 0.0021978 k( 307) = ( 0.6160714 0.2678571 0.6160714), wk = 0.0021978 k( 308) = ( 0.6190476 0.2619048 0.6190476), wk = 0.0021978 k( 309) = ( 0.6220238 0.2559524 0.6220238), wk = 0.0021978 k( 310) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021978 k( 311) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021978 k( 312) = ( 0.6200000 0.2500000 0.6300000), wk = 0.0021978 k( 313) = ( 0.6150000 0.2500000 0.6350000), wk = 0.0021978 k( 314) = ( 0.6100000 0.2500000 0.6400000), wk = 0.0021978 k( 315) = ( 0.6050000 0.2500000 0.6450000), wk = 0.0021978 k( 316) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0021978 k( 317) = ( 0.5950000 0.2500000 0.6550000), wk = 0.0021978 k( 318) = ( 0.5900000 0.2500000 0.6600000), wk = 0.0021978 k( 319) = ( 0.5850000 0.2500000 0.6650000), wk = 0.0021978 k( 320) = ( 0.5800000 0.2500000 0.6700000), wk = 0.0021978 k( 321) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0021978 k( 322) = ( 0.5700000 0.2500000 0.6800000), wk = 0.0021978 k( 323) = ( 0.5650000 0.2500000 0.6850000), wk = 0.0021978 k( 324) = ( 0.5600000 0.2500000 0.6900000), wk = 0.0021978 k( 325) = ( 0.5550000 0.2500000 0.6950000), wk = 0.0021978 k( 326) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0021978 k( 327) = ( 0.5450000 0.2500000 0.7050000), wk = 0.0021978 k( 328) = ( 0.5400000 0.2500000 0.7100000), wk = 0.0021978 k( 329) = ( 0.5350000 0.2500000 0.7150000), wk = 0.0021978 k( 330) = ( 0.5300000 0.2500000 0.7200000), wk = 0.0021978 k( 331) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0021978 k( 332) = ( 0.5200000 0.2500000 0.7300000), wk = 0.0021978 k( 333) = ( 0.5150000 0.2500000 0.7350000), wk = 0.0021978 k( 334) = ( 0.5100000 0.2500000 0.7400000), wk = 0.0021978 k( 335) = ( 0.5050000 0.2500000 0.7450000), wk = 0.0021978 k( 336) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021978 k( 337) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021978 k( 338) = ( 0.5000000 0.2551020 0.7448980), wk = 0.0021978 k( 339) = ( 0.5000000 0.2602041 0.7397959), wk = 0.0021978 k( 340) = ( 0.5000000 0.2653061 0.7346939), wk = 0.0021978 k( 341) = ( 0.5000000 0.2704082 0.7295918), wk = 0.0021978 k( 342) = ( 0.5000000 0.2755102 0.7244898), wk = 0.0021978 k( 343) = ( 0.5000000 0.2806122 0.7193878), wk = 0.0021978 k( 344) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0021978 k( 345) = ( 0.5000000 0.2908163 0.7091837), wk = 0.0021978 k( 346) = ( 0.5000000 0.2959184 0.7040816), wk = 0.0021978 k( 347) = ( 0.5000000 0.3010204 0.6989796), wk = 0.0021978 k( 348) = ( 0.5000000 0.3061224 0.6938776), wk = 0.0021978 k( 349) = ( 0.5000000 0.3112245 0.6887755), wk = 0.0021978 k( 350) = ( 0.5000000 0.3163265 0.6836735), wk = 0.0021978 k( 351) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0021978 k( 352) = ( 0.5000000 0.3265306 0.6734694), wk = 0.0021978 k( 353) = ( 0.5000000 0.3316327 0.6683674), wk = 0.0021978 k( 354) = ( 0.5000000 0.3367347 0.6632653), wk = 0.0021978 k( 355) = ( 0.5000000 0.3418367 0.6581633), wk = 0.0021978 k( 356) = ( 0.5000000 0.3469388 0.6530612), wk = 0.0021978 k( 357) = ( 0.5000000 0.3520408 0.6479592), wk = 0.0021978 k( 358) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0021978 k( 359) = ( 0.5000000 0.3622449 0.6377551), wk = 0.0021978 k( 360) = ( 0.5000000 0.3673469 0.6326531), wk = 0.0021978 k( 361) = ( 0.5000000 0.3724490 0.6275510), wk = 0.0021978 k( 362) = ( 0.5000000 0.3775510 0.6224490), wk = 0.0021978 k( 363) = ( 0.5000000 0.3826531 0.6173469), wk = 0.0021978 k( 364) = ( 0.5000000 0.3877551 0.6122449), wk = 0.0021978 k( 365) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0021978 k( 366) = ( 0.5000000 0.3979592 0.6020408), wk = 0.0021978 k( 367) = ( 0.5000000 0.4030612 0.5969388), wk = 0.0021978 k( 368) = ( 0.5000000 0.4081633 0.5918367), wk = 0.0021978 k( 369) = ( 0.5000000 0.4132653 0.5867347), wk = 0.0021978 k( 370) = ( 0.5000000 0.4183674 0.5816326), wk = 0.0021978 k( 371) = ( 0.5000000 0.4234694 0.5765306), wk = 0.0021978 k( 372) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0021978 k( 373) = ( 0.5000000 0.4336735 0.5663265), wk = 0.0021978 k( 374) = ( 0.5000000 0.4387755 0.5612245), wk = 0.0021978 k( 375) = ( 0.5000000 0.4438775 0.5561225), wk = 0.0021978 k( 376) = ( 0.5000000 0.4489796 0.5510204), wk = 0.0021978 k( 377) = ( 0.5000000 0.4540816 0.5459184), wk = 0.0021978 k( 378) = ( 0.5000000 0.4591837 0.5408163), wk = 0.0021978 k( 379) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0021978 k( 380) = ( 0.5000000 0.4693878 0.5306122), wk = 0.0021978 k( 381) = ( 0.5000000 0.4744898 0.5255102), wk = 0.0021978 k( 382) = ( 0.5000000 0.4795918 0.5204082), wk = 0.0021978 k( 383) = ( 0.5000000 0.4846939 0.5153061), wk = 0.0021978 k( 384) = ( 0.5000000 0.4897959 0.5102041), wk = 0.0021978 k( 385) = ( 0.5000000 0.4948980 0.5051020), wk = 0.0021978 k( 386) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021978 k( 387) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021978 k( 388) = ( 0.4970238 0.4970238 0.5059524), wk = 0.0021978 k( 389) = ( 0.4940476 0.4940476 0.5119048), wk = 0.0021978 k( 390) = ( 0.4910714 0.4910714 0.5178571), wk = 0.0021978 k( 391) = ( 0.4880952 0.4880952 0.5238095), wk = 0.0021978 k( 392) = ( 0.4851190 0.4851190 0.5297619), wk = 0.0021978 k( 393) = ( 0.4821429 0.4821429 0.5357143), wk = 0.0021978 k( 394) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0021978 k( 395) = ( 0.4761905 0.4761905 0.5476191), wk = 0.0021978 k( 396) = ( 0.4732143 0.4732143 0.5535714), wk = 0.0021978 k( 397) = ( 0.4702381 0.4702381 0.5595238), wk = 0.0021978 k( 398) = ( 0.4672619 0.4672619 0.5654762), wk = 0.0021978 k( 399) = ( 0.4642857 0.4642857 0.5714286), wk = 0.0021978 k( 400) = ( 0.4613095 0.4613095 0.5773810), wk = 0.0021978 k( 401) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0021978 k( 402) = ( 0.4553571 0.4553571 0.5892857), wk = 0.0021978 k( 403) = ( 0.4523810 0.4523810 0.5952381), wk = 0.0021978 k( 404) = ( 0.4494048 0.4494048 0.6011905), wk = 0.0021978 k( 405) = ( 0.4464286 0.4464286 0.6071429), wk = 0.0021978 k( 406) = ( 0.4434524 0.4434524 0.6130952), wk = 0.0021978 k( 407) = ( 0.4404762 0.4404762 0.6190476), wk = 0.0021978 k( 408) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0021978 k( 409) = ( 0.4345238 0.4345238 0.6309524), wk = 0.0021978 k( 410) = ( 0.4315476 0.4315476 0.6369048), wk = 0.0021978 k( 411) = ( 0.4285714 0.4285714 0.6428571), wk = 0.0021978 k( 412) = ( 0.4255952 0.4255952 0.6488095), wk = 0.0021978 k( 413) = ( 0.4226190 0.4226191 0.6547619), wk = 0.0021978 k( 414) = ( 0.4196429 0.4196429 0.6607143), wk = 0.0021978 k( 415) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0021978 k( 416) = ( 0.4136905 0.4136905 0.6726191), wk = 0.0021978 k( 417) = ( 0.4107143 0.4107143 0.6785714), wk = 0.0021978 k( 418) = ( 0.4077381 0.4077381 0.6845238), wk = 0.0021978 k( 419) = ( 0.4047619 0.4047619 0.6904762), wk = 0.0021978 k( 420) = ( 0.4017857 0.4017857 0.6964286), wk = 0.0021978 k( 421) = ( 0.3988095 0.3988095 0.7023810), wk = 0.0021978 k( 422) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0021978 k( 423) = ( 0.3928571 0.3928571 0.7142857), wk = 0.0021978 k( 424) = ( 0.3898810 0.3898810 0.7202381), wk = 0.0021978 k( 425) = ( 0.3869048 0.3869048 0.7261905), wk = 0.0021978 k( 426) = ( 0.3839286 0.3839286 0.7321429), wk = 0.0021978 k( 427) = ( 0.3809524 0.3809524 0.7380952), wk = 0.0021978 k( 428) = ( 0.3779762 0.3779762 0.7440476), wk = 0.0021978 k( 429) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021978 k( 430) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021978 k( 431) = ( 0.6200000 0.2400000 0.6200000), wk = 0.0021978 k( 432) = ( 0.6150000 0.2300000 0.6150000), wk = 0.0021978 k( 433) = ( 0.6100000 0.2200000 0.6100000), wk = 0.0021978 k( 434) = ( 0.6050000 0.2100000 0.6050000), wk = 0.0021978 k( 435) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0021978 k( 436) = ( 0.5950000 0.1900000 0.5950000), wk = 0.0021978 k( 437) = ( 0.5900000 0.1800000 0.5900000), wk = 0.0021978 k( 438) = ( 0.5850000 0.1700000 0.5850000), wk = 0.0021978 k( 439) = ( 0.5800000 0.1600000 0.5800000), wk = 0.0021978 k( 440) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0021978 k( 441) = ( 0.5700000 0.1400000 0.5700000), wk = 0.0021978 k( 442) = ( 0.5650000 0.1300000 0.5650000), wk = 0.0021978 k( 443) = ( 0.5600000 0.1200000 0.5600000), wk = 0.0021978 k( 444) = ( 0.5550000 0.1100000 0.5550000), wk = 0.0021978 k( 445) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0021978 k( 446) = ( 0.5450000 0.0900000 0.5450000), wk = 0.0021978 k( 447) = ( 0.5400000 0.0800000 0.5400000), wk = 0.0021978 k( 448) = ( 0.5350000 0.0700000 0.5350000), wk = 0.0021978 k( 449) = ( 0.5300000 0.0600000 0.5300000), wk = 0.0021978 k( 450) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0021978 k( 451) = ( 0.5200000 0.0400000 0.5200000), wk = 0.0021978 k( 452) = ( 0.5150000 0.0300000 0.5150000), wk = 0.0021978 k( 453) = ( 0.5100000 0.0200000 0.5100000), wk = 0.0021978 k( 454) = ( 0.5050000 0.0100000 0.5050000), wk = 0.0021978 k( 455) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021978 Dense grid: 16361 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 9185 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 54, 28) NL pseudopotentials 0.02 Mb ( 27, 48) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 339) G-vector shells 0.00 Mb ( 141) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.09 Mb ( 54, 112) Each subspace H/S matrix 0.19 Mb ( 112, 112) Each matrix 0.04 Mb ( 48, 2, 28) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./OsC.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 40.7 secs Computing kpt #: 2 total cpu time spent up to now is 41.0 secs Computing kpt #: 3 total cpu time spent up to now is 41.2 secs Computing kpt #: 4 total cpu time spent up to now is 41.4 secs Computing kpt #: 5 total cpu time spent up to now is 41.6 secs Computing kpt #: 6 total cpu time spent up to now is 41.9 secs Computing kpt #: 7 total cpu time spent up to now is 42.1 secs Computing kpt #: 8 total cpu time spent up to now is 42.3 secs Computing kpt #: 9 total cpu time spent up to now is 42.5 secs Computing kpt #: 10 total cpu time spent up to now is 42.7 secs Computing kpt #: 11 total cpu time spent up to now is 42.9 secs Computing kpt #: 12 total cpu time spent up to now is 43.1 secs Computing kpt #: 13 total cpu time spent up to now is 43.3 secs Computing kpt #: 14 total cpu time spent up to now is 43.5 secs Computing kpt #: 15 total cpu time spent up to now is 43.7 secs Computing kpt #: 16 total cpu time spent up to now is 43.9 secs Computing kpt #: 17 total cpu time spent up to now is 44.1 secs Computing kpt #: 18 total cpu time spent up to now is 44.3 secs Computing kpt #: 19 total cpu time spent up to now is 44.6 secs Computing kpt #: 20 total cpu time spent up to now is 44.8 secs Computing kpt #: 21 total cpu time spent up to now is 45.0 secs Computing kpt #: 22 total cpu time spent up to now is 45.2 secs Computing kpt #: 23 total cpu time spent up to now is 45.4 secs Computing kpt #: 24 total cpu time spent up to now is 45.6 secs Computing kpt #: 25 total cpu time spent up to now is 45.8 secs Computing kpt #: 26 total cpu time spent up to now is 46.0 secs Computing kpt #: 27 total cpu time spent up to now is 46.2 secs Computing kpt #: 28 total cpu time spent up to now is 46.4 secs Computing kpt #: 29 total cpu time spent up to now is 46.6 secs Computing kpt #: 30 total cpu time spent up to now is 46.8 secs Computing kpt #: 31 total cpu time spent up to now is 47.1 secs Computing kpt #: 32 total cpu time spent up to now is 47.3 secs Computing kpt #: 33 total cpu time spent up to now is 47.5 secs Computing kpt #: 34 total cpu time spent up to now is 47.8 secs Computing kpt #: 35 total cpu time spent up to now is 48.1 secs Computing kpt #: 36 total cpu time spent up to now is 48.4 secs Computing kpt #: 37 total cpu time spent up to now is 48.7 secs Computing kpt #: 38 total cpu time spent up to now is 48.9 secs Computing kpt #: 39 total cpu time spent up to now is 49.2 secs Computing kpt #: 40 total cpu time spent up to now is 49.5 secs Computing kpt #: 41 total cpu time spent up to now is 49.7 secs Computing kpt #: 42 total cpu time spent up to now is 50.0 secs Computing kpt #: 43 total cpu time spent up to now is 50.3 secs Computing kpt #: 44 total cpu time spent up to now is 50.7 secs Computing kpt #: 45 total cpu time spent up to now is 50.9 secs Computing kpt #: 46 total cpu time spent up to now is 51.1 secs Computing kpt #: 47 total cpu time spent up to now is 51.4 secs Computing kpt #: 48 total cpu time spent up to now is 51.7 secs Computing kpt #: 49 total cpu time spent up to now is 51.9 secs Computing kpt #: 50 total cpu time spent up to now is 52.1 secs Computing kpt #: 51 total cpu time spent up to now is 52.4 secs Computing kpt #: 52 total cpu time spent up to now is 52.6 secs Computing kpt #: 53 total cpu time spent up to now is 52.8 secs Computing kpt #: 54 total cpu time spent up to now is 53.0 secs Computing kpt #: 55 total cpu time spent up to now is 53.3 secs Computing kpt #: 56 total cpu time spent up to now is 53.6 secs Computing kpt #: 57 total cpu time spent up to now is 53.9 secs Computing kpt #: 58 total cpu time spent up to now is 54.2 secs Computing kpt #: 59 total cpu time spent up to now is 54.4 secs Computing kpt #: 60 total cpu time spent up to now is 54.7 secs Computing kpt #: 61 total cpu time spent up to now is 55.0 secs Computing kpt #: 62 total cpu time spent up to now is 55.2 secs Computing kpt #: 63 total cpu time spent up to now is 55.5 secs Computing kpt #: 64 total cpu time spent up to now is 55.9 secs Computing kpt #: 65 total cpu time spent up to now is 56.1 secs Computing kpt #: 66 total cpu time spent up to now is 56.3 secs Computing kpt #: 67 total cpu time spent up to now is 56.6 secs Computing kpt #: 68 total cpu time spent up to now is 56.8 secs Computing kpt #: 69 total cpu time spent up to now is 57.0 secs Computing kpt #: 70 total cpu time spent up to now is 57.3 secs Computing kpt #: 71 total cpu time spent up to now is 57.5 secs Computing kpt #: 72 total cpu time spent up to now is 57.7 secs Computing kpt #: 73 total cpu time spent up to now is 58.0 secs Computing kpt #: 74 total cpu time spent up to now is 58.2 secs Computing kpt #: 75 total cpu time spent up to now is 58.4 secs Computing kpt #: 76 total cpu time spent up to now is 58.7 secs Computing kpt #: 77 total cpu time spent up to now is 59.0 secs Computing kpt #: 78 total cpu time spent up to now is 59.3 secs Computing kpt #: 79 total cpu time spent up to now is 59.7 secs Computing kpt #: 80 total cpu time spent up to now is 60.0 secs Computing kpt #: 81 total cpu time spent up to now is 60.3 secs Computing kpt #: 82 total cpu time spent up to now is 60.6 secs Computing kpt #: 83 total cpu time spent up to now is 60.9 secs Computing kpt #: 84 total cpu time spent up to now is 61.2 secs Computing kpt #: 85 total cpu time spent up to now is 61.5 secs Computing kpt #: 86 total cpu time spent up to now is 61.8 secs Computing kpt #: 87 total cpu time spent up to now is 62.2 secs Computing kpt #: 88 total cpu time spent up to now is 62.5 secs Computing kpt #: 89 total cpu time spent up to now is 62.7 secs Computing kpt #: 90 total cpu time spent up to now is 63.0 secs Computing kpt #: 91 total cpu time spent up to now is 63.3 secs Computing kpt #: 92 total cpu time spent up to now is 63.7 secs Computing kpt #: 93 total cpu time spent up to now is 64.0 secs Computing kpt #: 94 total cpu time spent up to now is 64.2 secs Computing kpt #: 95 total cpu time spent up to now is 64.5 secs Computing kpt #: 96 total cpu time spent up to now is 64.7 secs Computing kpt #: 97 total cpu time spent up to now is 65.0 secs Computing kpt #: 98 total cpu time spent up to now is 65.3 secs Computing kpt #: 99 total cpu time spent up to now is 65.6 secs Computing kpt #: 100 total cpu time spent up to now is 65.9 secs Computing kpt #: 101 total cpu time spent up to now is 66.2 secs Computing kpt #: 102 total cpu time spent up to now is 66.6 secs Computing kpt #: 103 total cpu time spent up to now is 67.0 secs Computing kpt #: 104 total cpu time spent up to now is 67.5 secs Computing kpt #: 105 total cpu time spent up to now is 68.5 secs Computing kpt #: 106 total cpu time spent up to now is 68.8 secs Computing kpt #: 107 total cpu time spent up to now is 69.3 secs Computing kpt #: 108 total cpu time spent up to now is 69.7 secs Computing kpt #: 109 total cpu time spent up to now is 70.0 secs Computing kpt #: 110 total cpu time spent up to now is 70.3 secs Computing kpt #: 111 total cpu time spent up to now is 70.6 secs Computing kpt #: 112 total cpu time spent up to now is 70.8 secs Computing kpt #: 113 total cpu time spent up to now is 71.2 secs Computing kpt #: 114 total cpu time spent up to now is 71.5 secs Computing kpt #: 115 total cpu time spent up to now is 71.7 secs Computing kpt #: 116 total cpu time spent up to now is 72.0 secs Computing kpt #: 117 total cpu time spent up to now is 72.2 secs Computing kpt #: 118 total cpu time spent up to now is 72.5 secs Computing kpt #: 119 total cpu time spent up to now is 72.8 secs Computing kpt #: 120 total cpu time spent up to now is 73.1 secs Computing kpt #: 121 total cpu time spent up to now is 73.3 secs Computing kpt #: 122 total cpu time spent up to now is 73.6 secs Computing kpt #: 123 total cpu time spent up to now is 73.9 secs Computing kpt #: 124 total cpu time spent up to now is 74.2 secs Computing kpt #: 125 total cpu time spent up to now is 74.6 secs Computing kpt #: 126 total cpu time spent up to now is 74.9 secs Computing kpt #: 127 total cpu time spent up to now is 75.1 secs Computing kpt #: 128 total cpu time spent up to now is 75.4 secs Computing kpt #: 129 total cpu time spent up to now is 75.7 secs Computing kpt #: 130 total cpu time spent up to now is 76.0 secs Computing kpt #: 131 total cpu time spent up to now is 76.3 secs Computing kpt #: 132 total cpu time spent up to now is 76.5 secs Computing kpt #: 133 total cpu time spent up to now is 76.8 secs Computing kpt #: 134 total cpu time spent up to now is 77.0 secs Computing kpt #: 135 total cpu time spent up to now is 77.3 secs Computing kpt #: 136 total cpu time spent up to now is 77.5 secs Computing kpt #: 137 total cpu time spent up to now is 77.9 secs Computing kpt #: 138 total cpu time spent up to now is 78.2 secs Computing kpt #: 139 total cpu time spent up to now is 78.4 secs Computing kpt #: 140 total cpu time spent up to now is 78.7 secs Computing kpt #: 141 total cpu time spent up to now is 79.0 secs Computing kpt #: 142 total cpu time spent up to now is 79.3 secs Computing kpt #: 143 total cpu time spent up to now is 79.7 secs Computing kpt #: 144 total cpu time spent up to now is 80.1 secs Computing kpt #: 145 total cpu time spent up to now is 80.4 secs Computing kpt #: 146 total cpu time spent up to now is 80.6 secs Computing kpt #: 147 total cpu time spent up to now is 80.9 secs Computing kpt #: 148 total cpu time spent up to now is 81.1 secs Computing kpt #: 149 total cpu time spent up to now is 81.4 secs Computing kpt #: 150 total cpu time spent up to now is 81.6 secs Computing kpt #: 151 total cpu time spent up to now is 81.9 secs Computing kpt #: 152 total cpu time spent up to now is 82.2 secs Computing kpt #: 153 total cpu time spent up to now is 82.4 secs Computing kpt #: 154 total cpu time spent up to now is 82.7 secs Computing kpt #: 155 total cpu time spent up to now is 82.9 secs Computing kpt #: 156 total cpu time spent up to now is 83.2 secs Computing kpt #: 157 total cpu time spent up to now is 83.6 secs Computing kpt #: 158 total cpu time spent up to now is 83.8 secs Computing kpt #: 159 total cpu time spent up to now is 84.2 secs Computing kpt #: 160 total cpu time spent up to now is 84.6 secs Computing kpt #: 161 total cpu time spent up to now is 85.0 secs Computing kpt #: 162 total cpu time spent up to now is 85.3 secs Computing kpt #: 163 total cpu time spent up to now is 85.7 secs Computing kpt #: 164 total cpu time spent up to now is 86.0 secs Computing kpt #: 165 total cpu time spent up to now is 86.3 secs Computing kpt #: 166 total cpu time spent up to now is 86.6 secs Computing kpt #: 167 total cpu time spent up to now is 86.8 secs Computing kpt #: 168 total cpu time spent up to now is 87.2 secs Computing kpt #: 169 total cpu time spent up to now is 87.4 secs Computing kpt #: 170 total cpu time spent up to now is 87.6 secs Computing kpt #: 171 total cpu time spent up to now is 87.8 secs Computing kpt #: 172 total cpu time spent up to now is 88.0 secs Computing kpt #: 173 total cpu time spent up to now is 88.3 secs Computing kpt #: 174 total cpu time spent up to now is 88.7 secs Computing kpt #: 175 total cpu time spent up to now is 89.0 secs Computing kpt #: 176 total cpu time spent up to now is 89.2 secs Computing kpt #: 177 total cpu time spent up to now is 89.5 secs Computing kpt #: 178 total cpu time spent up to now is 89.7 secs Computing kpt #: 179 total cpu time spent up to now is 90.0 secs Computing kpt #: 180 total cpu time spent up to now is 90.3 secs Computing kpt #: 181 total cpu time spent up to now is 90.9 secs Computing kpt #: 182 total cpu time spent up to now is 91.2 secs Computing kpt #: 183 total cpu time spent up to now is 91.4 secs Computing kpt #: 184 total cpu time spent up to now is 91.6 secs Computing kpt #: 185 total cpu time spent up to now is 91.8 secs Computing kpt #: 186 total cpu time spent up to now is 92.0 secs Computing kpt #: 187 total cpu time spent up to now is 92.2 secs Computing kpt #: 188 total cpu time spent up to now is 92.8 secs Computing kpt #: 189 total cpu time spent up to now is 93.0 secs Computing kpt #: 190 total cpu time spent up to now is 93.3 secs Computing kpt #: 191 total cpu time spent up to now is 93.5 secs Computing kpt #: 192 total cpu time spent up to now is 93.7 secs Computing kpt #: 193 total cpu time spent up to now is 93.9 secs Computing kpt #: 194 total cpu time spent up to now is 94.1 secs Computing kpt #: 195 total cpu time spent up to now is 94.3 secs Computing kpt #: 196 total cpu time spent up to now is 94.7 secs Computing kpt #: 197 total cpu time spent up to now is 94.9 secs Computing kpt #: 198 total cpu time spent up to now is 95.1 secs Computing kpt #: 199 total cpu time spent up to now is 95.3 secs Computing kpt #: 200 total cpu time spent up to now is 95.6 secs Computing kpt #: 201 total cpu time spent up to now is 95.8 secs Computing kpt #: 202 total cpu time spent up to now is 96.1 secs Computing kpt #: 203 total cpu time spent up to now is 96.3 secs Computing kpt #: 204 total cpu time spent up to now is 96.6 secs Computing kpt #: 205 total cpu time spent up to now is 96.9 secs Computing kpt #: 206 total cpu time spent up to now is 97.2 secs Computing kpt #: 207 total cpu time spent up to now is 97.5 secs Computing kpt #: 208 total cpu time spent up to now is 97.8 secs Computing kpt #: 209 total cpu time spent up to now is 98.1 secs Computing kpt #: 210 total cpu time spent up to now is 98.4 secs Computing kpt #: 211 total cpu time spent up to now is 98.6 secs Computing kpt #: 212 total cpu time spent up to now is 98.9 secs Computing kpt #: 213 total cpu time spent up to now is 99.4 secs Computing kpt #: 214 total cpu time spent up to now is 99.6 secs Computing kpt #: 215 total cpu time spent up to now is 99.8 secs Computing kpt #: 216 total cpu time spent up to now is 100.0 secs Computing kpt #: 217 total cpu time spent up to now is 100.2 secs Computing kpt #: 218 total cpu time spent up to now is 100.4 secs Computing kpt #: 219 total cpu time spent up to now is 100.6 secs Computing kpt #: 220 total cpu time spent up to now is 100.8 secs Computing kpt #: 221 total cpu time spent up to now is 101.0 secs Computing kpt #: 222 total cpu time spent up to now is 101.2 secs Computing kpt #: 223 total cpu time spent up to now is 101.4 secs Computing kpt #: 224 total cpu time spent up to now is 101.7 secs Computing kpt #: 225 total cpu time spent up to now is 101.9 secs Computing kpt #: 226 total cpu time spent up to now is 102.1 secs Computing kpt #: 227 total cpu time spent up to now is 102.3 secs Computing kpt #: 228 total cpu time spent up to now is 102.6 secs Computing kpt #: 229 total cpu time spent up to now is 103.0 secs Computing kpt #: 230 total cpu time spent up to now is 103.2 secs Computing kpt #: 231 total cpu time spent up to now is 103.4 secs Computing kpt #: 232 total cpu time spent up to now is 103.6 secs Computing kpt #: 233 total cpu time spent up to now is 104.0 secs Computing kpt #: 234 total cpu time spent up to now is 104.3 secs Computing kpt #: 235 total cpu time spent up to now is 104.5 secs Computing kpt #: 236 total cpu time spent up to now is 104.8 secs Computing kpt #: 237 total cpu time spent up to now is 105.0 secs Computing kpt #: 238 total cpu time spent up to now is 105.3 secs Computing kpt #: 239 total cpu time spent up to now is 105.5 secs Computing kpt #: 240 total cpu time spent up to now is 105.8 secs Computing kpt #: 241 total cpu time spent up to now is 106.0 secs Computing kpt #: 242 total cpu time spent up to now is 106.3 secs Computing kpt #: 243 total cpu time spent up to now is 106.5 secs Computing kpt #: 244 total cpu time spent up to now is 106.7 secs Computing kpt #: 245 total cpu time spent up to now is 106.9 secs Computing kpt #: 246 total cpu time spent up to now is 107.1 secs Computing kpt #: 247 total cpu time spent up to now is 107.4 secs Computing kpt #: 248 total cpu time spent up to now is 107.6 secs Computing kpt #: 249 total cpu time spent up to now is 107.8 secs Computing kpt #: 250 total cpu time spent up to now is 108.0 secs Computing kpt #: 251 total cpu time spent up to now is 108.2 secs Computing kpt #: 252 total cpu time spent up to now is 108.5 secs Computing kpt #: 253 total cpu time spent up to now is 108.8 secs Computing kpt #: 254 total cpu time spent up to now is 109.0 secs Computing kpt #: 255 total cpu time spent up to now is 109.3 secs Computing kpt #: 256 total cpu time spent up to now is 109.7 secs Computing kpt #: 257 total cpu time spent up to now is 109.9 secs Computing kpt #: 258 total cpu time spent up to now is 110.1 secs Computing kpt #: 259 total cpu time spent up to now is 110.4 secs Computing kpt #: 260 total cpu time spent up to now is 110.6 secs Computing kpt #: 261 total cpu time spent up to now is 110.9 secs Computing kpt #: 262 total cpu time spent up to now is 111.1 secs Computing kpt #: 263 total cpu time spent up to now is 111.3 secs Computing kpt #: 264 total cpu time spent up to now is 111.5 secs Computing kpt #: 265 total cpu time spent up to now is 111.7 secs Computing kpt #: 266 total cpu time spent up to now is 111.9 secs Computing kpt #: 267 total cpu time spent up to now is 112.1 secs Computing kpt #: 268 total cpu time spent up to now is 112.3 secs Computing kpt #: 269 total cpu time spent up to now is 112.5 secs Computing kpt #: 270 total cpu time spent up to now is 112.7 secs Computing kpt #: 271 total cpu time spent up to now is 112.9 secs Computing kpt #: 272 total cpu time spent up to now is 113.1 secs Computing kpt #: 273 total cpu time spent up to now is 113.4 secs Computing kpt #: 274 total cpu time spent up to now is 113.7 secs Computing kpt #: 275 total cpu time spent up to now is 113.9 secs Computing kpt #: 276 total cpu time spent up to now is 114.2 secs Computing kpt #: 277 total cpu time spent up to now is 114.4 secs Computing kpt #: 278 total cpu time spent up to now is 114.7 secs Computing kpt #: 279 total cpu time spent up to now is 115.0 secs Computing kpt #: 280 total cpu time spent up to now is 115.3 secs Computing kpt #: 281 total cpu time spent up to now is 115.6 secs Computing kpt #: 282 total cpu time spent up to now is 115.9 secs Computing kpt #: 283 total cpu time spent up to now is 116.4 secs Computing kpt #: 284 total cpu time spent up to now is 116.7 secs Computing kpt #: 285 total cpu time spent up to now is 117.0 secs Computing kpt #: 286 total cpu time spent up to now is 117.5 secs Computing kpt #: 287 total cpu time spent up to now is 117.9 secs Computing kpt #: 288 total cpu time spent up to now is 118.2 secs Computing kpt #: 289 total cpu time spent up to now is 118.6 secs Computing kpt #: 290 total cpu time spent up to now is 118.8 secs Computing kpt #: 291 total cpu time spent up to now is 119.0 secs Computing kpt #: 292 total cpu time spent up to now is 119.2 secs Computing kpt #: 293 total cpu time spent up to now is 119.4 secs Computing kpt #: 294 total cpu time spent up to now is 119.7 secs Computing kpt #: 295 total cpu time spent up to now is 119.9 secs Computing kpt #: 296 total cpu time spent up to now is 120.1 secs Computing kpt #: 297 total cpu time spent up to now is 120.3 secs Computing kpt #: 298 total cpu time spent up to now is 120.6 secs Computing kpt #: 299 total cpu time spent up to now is 120.8 secs Computing kpt #: 300 total cpu time spent up to now is 121.1 secs Computing kpt #: 301 total cpu time spent up to now is 121.4 secs Computing kpt #: 302 total cpu time spent up to now is 121.7 secs Computing kpt #: 303 total cpu time spent up to now is 122.0 secs Computing kpt #: 304 total cpu time spent up to now is 122.4 secs Computing kpt #: 305 total cpu time spent up to now is 122.7 secs Computing kpt #: 306 total cpu time spent up to now is 123.0 secs Computing kpt #: 307 total cpu time spent up to now is 123.3 secs Computing kpt #: 308 total cpu time spent up to now is 123.7 secs Computing kpt #: 309 total cpu time spent up to now is 124.0 secs Computing kpt #: 310 total cpu time spent up to now is 124.2 secs Computing kpt #: 311 total cpu time spent up to now is 124.7 secs Computing kpt #: 312 total cpu time spent up to now is 124.9 secs Computing kpt #: 313 total cpu time spent up to now is 125.2 secs Computing kpt #: 314 total cpu time spent up to now is 125.4 secs Computing kpt #: 315 total cpu time spent up to now is 125.6 secs Computing kpt #: 316 total cpu time spent up to now is 125.9 secs Computing kpt #: 317 total cpu time spent up to now is 126.1 secs Computing kpt #: 318 total cpu time spent up to now is 126.4 secs Computing kpt #: 319 total cpu time spent up to now is 126.6 secs Computing kpt #: 320 total cpu time spent up to now is 126.9 secs Computing kpt #: 321 total cpu time spent up to now is 127.2 secs Computing kpt #: 322 total cpu time spent up to now is 127.5 secs Computing kpt #: 323 total cpu time spent up to now is 127.8 secs Computing kpt #: 324 total cpu time spent up to now is 128.1 secs Computing kpt #: 325 total cpu time spent up to now is 128.4 secs Computing kpt #: 326 total cpu time spent up to now is 128.7 secs Computing kpt #: 327 total cpu time spent up to now is 128.9 secs Computing kpt #: 328 total cpu time spent up to now is 129.4 secs Computing kpt #: 329 total cpu time spent up to now is 129.7 secs Computing kpt #: 330 total cpu time spent up to now is 130.0 secs Computing kpt #: 331 total cpu time spent up to now is 130.3 secs Computing kpt #: 332 total cpu time spent up to now is 130.6 secs Computing kpt #: 333 total cpu time spent up to now is 130.8 secs Computing kpt #: 334 total cpu time spent up to now is 131.0 secs Computing kpt #: 335 total cpu time spent up to now is 131.3 secs Computing kpt #: 336 total cpu time spent up to now is 131.6 secs Computing kpt #: 337 total cpu time spent up to now is 131.8 secs Computing kpt #: 338 total cpu time spent up to now is 132.1 secs Computing kpt #: 339 total cpu time spent up to now is 132.4 secs Computing kpt #: 340 total cpu time spent up to now is 132.6 secs Computing kpt #: 341 total cpu time spent up to now is 132.9 secs Computing kpt #: 342 total cpu time spent up to now is 133.2 secs Computing kpt #: 343 total cpu time spent up to now is 133.5 secs Computing kpt #: 344 total cpu time spent up to now is 133.8 secs Computing kpt #: 345 total cpu time spent up to now is 134.3 secs Computing kpt #: 346 total cpu time spent up to now is 134.6 secs Computing kpt #: 347 total cpu time spent up to now is 134.9 secs Computing kpt #: 348 total cpu time spent up to now is 135.1 secs Computing kpt #: 349 total cpu time spent up to now is 135.3 secs Computing kpt #: 350 total cpu time spent up to now is 135.6 secs Computing kpt #: 351 total cpu time spent up to now is 135.8 secs Computing kpt #: 352 total cpu time spent up to now is 136.0 secs Computing kpt #: 353 total cpu time spent up to now is 136.2 secs Computing kpt #: 354 total cpu time spent up to now is 136.5 secs Computing kpt #: 355 total cpu time spent up to now is 136.7 secs Computing kpt #: 356 total cpu time spent up to now is 136.9 secs Computing kpt #: 357 total cpu time spent up to now is 137.2 secs Computing kpt #: 358 total cpu time spent up to now is 137.8 secs Computing kpt #: 359 total cpu time spent up to now is 138.1 secs Computing kpt #: 360 total cpu time spent up to now is 138.4 secs Computing kpt #: 361 total cpu time spent up to now is 139.2 secs Computing kpt #: 362 total cpu time spent up to now is 139.9 secs Computing kpt #: 363 total cpu time spent up to now is 140.1 secs Computing kpt #: 364 total cpu time spent up to now is 140.5 secs Computing kpt #: 365 total cpu time spent up to now is 140.9 secs Computing kpt #: 366 total cpu time spent up to now is 141.1 secs Computing kpt #: 367 total cpu time spent up to now is 141.3 secs Computing kpt #: 368 total cpu time spent up to now is 141.6 secs Computing kpt #: 369 total cpu time spent up to now is 141.8 secs Computing kpt #: 370 total cpu time spent up to now is 142.0 secs Computing kpt #: 371 total cpu time spent up to now is 142.2 secs Computing kpt #: 372 total cpu time spent up to now is 142.4 secs Computing kpt #: 373 total cpu time spent up to now is 142.6 secs Computing kpt #: 374 total cpu time spent up to now is 142.8 secs Computing kpt #: 375 total cpu time spent up to now is 143.0 secs Computing kpt #: 376 total cpu time spent up to now is 143.2 secs Computing kpt #: 377 total cpu time spent up to now is 143.5 secs Computing kpt #: 378 total cpu time spent up to now is 143.7 secs Computing kpt #: 379 total cpu time spent up to now is 144.0 secs Computing kpt #: 380 total cpu time spent up to now is 144.2 secs Computing kpt #: 381 total cpu time spent up to now is 144.5 secs Computing kpt #: 382 total cpu time spent up to now is 144.7 secs Computing kpt #: 383 total cpu time spent up to now is 145.0 secs Computing kpt #: 384 total cpu time spent up to now is 145.2 secs Computing kpt #: 385 total cpu time spent up to now is 145.5 secs Computing kpt #: 386 total cpu time spent up to now is 145.9 secs Computing kpt #: 387 total cpu time spent up to now is 146.2 secs Computing kpt #: 388 total cpu time spent up to now is 146.6 secs Computing kpt #: 389 total cpu time spent up to now is 146.8 secs Computing kpt #: 390 total cpu time spent up to now is 147.0 secs Computing kpt #: 391 total cpu time spent up to now is 147.2 secs Computing kpt #: 392 total cpu time spent up to now is 147.5 secs Computing kpt #: 393 total cpu time spent up to now is 147.8 secs Computing kpt #: 394 total cpu time spent up to now is 148.2 secs Computing kpt #: 395 total cpu time spent up to now is 148.4 secs Computing kpt #: 396 total cpu time spent up to now is 148.6 secs Computing kpt #: 397 total cpu time spent up to now is 148.8 secs Computing kpt #: 398 total cpu time spent up to now is 149.0 secs Computing kpt #: 399 total cpu time spent up to now is 149.2 secs Computing kpt #: 400 total cpu time spent up to now is 149.4 secs Computing kpt #: 401 total cpu time spent up to now is 149.6 secs Computing kpt #: 402 total cpu time spent up to now is 149.8 secs Computing kpt #: 403 total cpu time spent up to now is 150.1 secs Computing kpt #: 404 total cpu time spent up to now is 150.4 secs Computing kpt #: 405 total cpu time spent up to now is 150.8 secs Computing kpt #: 406 total cpu time spent up to now is 151.0 secs Computing kpt #: 407 total cpu time spent up to now is 151.3 secs Computing kpt #: 408 total cpu time spent up to now is 151.6 secs Computing kpt #: 409 total cpu time spent up to now is 151.9 secs Computing kpt #: 410 total cpu time spent up to now is 152.1 secs Computing kpt #: 411 total cpu time spent up to now is 152.4 secs Computing kpt #: 412 total cpu time spent up to now is 152.6 secs Computing kpt #: 413 total cpu time spent up to now is 152.9 secs Computing kpt #: 414 total cpu time spent up to now is 153.1 secs Computing kpt #: 415 total cpu time spent up to now is 153.3 secs Computing kpt #: 416 total cpu time spent up to now is 153.6 secs Computing kpt #: 417 total cpu time spent up to now is 153.8 secs Computing kpt #: 418 total cpu time spent up to now is 154.0 secs Computing kpt #: 419 total cpu time spent up to now is 154.3 secs Computing kpt #: 420 total cpu time spent up to now is 154.5 secs Computing kpt #: 421 total cpu time spent up to now is 154.7 secs Computing kpt #: 422 total cpu time spent up to now is 155.0 secs Computing kpt #: 423 total cpu time spent up to now is 155.3 secs Computing kpt #: 424 total cpu time spent up to now is 155.5 secs Computing kpt #: 425 total cpu time spent up to now is 155.8 secs Computing kpt #: 426 total cpu time spent up to now is 156.1 secs Computing kpt #: 427 total cpu time spent up to now is 156.5 secs Computing kpt #: 428 total cpu time spent up to now is 156.7 secs Computing kpt #: 429 total cpu time spent up to now is 157.0 secs Computing kpt #: 430 total cpu time spent up to now is 157.2 secs Computing kpt #: 431 total cpu time spent up to now is 157.4 secs Computing kpt #: 432 total cpu time spent up to now is 157.7 secs Computing kpt #: 433 total cpu time spent up to now is 157.9 secs Computing kpt #: 434 total cpu time spent up to now is 158.2 secs Computing kpt #: 435 total cpu time spent up to now is 158.4 secs Computing kpt #: 436 total cpu time spent up to now is 158.7 secs Computing kpt #: 437 total cpu time spent up to now is 158.9 secs Computing kpt #: 438 total cpu time spent up to now is 159.1 secs Computing kpt #: 439 total cpu time spent up to now is 159.4 secs Computing kpt #: 440 total cpu time spent up to now is 159.6 secs Computing kpt #: 441 total cpu time spent up to now is 159.9 secs Computing kpt #: 442 total cpu time spent up to now is 160.1 secs Computing kpt #: 443 total cpu time spent up to now is 160.4 secs Computing kpt #: 444 total cpu time spent up to now is 160.6 secs Computing kpt #: 445 total cpu time spent up to now is 160.8 secs Computing kpt #: 446 total cpu time spent up to now is 161.1 secs Computing kpt #: 447 total cpu time spent up to now is 161.4 secs Computing kpt #: 448 total cpu time spent up to now is 161.6 secs Computing kpt #: 449 total cpu time spent up to now is 161.9 secs Computing kpt #: 450 total cpu time spent up to now is 162.2 secs Computing kpt #: 451 total cpu time spent up to now is 162.4 secs Computing kpt #: 452 total cpu time spent up to now is 162.7 secs Computing kpt #: 453 total cpu time spent up to now is 163.0 secs Computing kpt #: 454 total cpu time spent up to now is 163.3 secs Computing kpt #: 455 total cpu time spent up to now is 163.5 secs ethr = 5.00E-11, avg # of iterations = 13.5 total cpu time spent up to now is 163.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1139 PWs) bands (ev): -68.4696 -68.4696 -36.8759 -36.8759 -24.7040 -24.7040 -24.7040 -24.7040 3.4547 3.4547 11.1599 11.1599 11.1599 11.1599 11.4486 11.4486 16.2319 16.2319 16.2319 16.2319 20.9817 20.9817 24.6214 24.6214 24.6214 24.6214 24.9401 24.9401 k = 0.0072-0.0042 0.0059 ( 1139 PWs) bands (ev): -68.4696 -68.4696 -36.8760 -36.8760 -24.7041 -24.7041 -24.7041 -24.7041 3.4561 3.4561 11.1580 11.1580 11.1621 11.1621 11.4488 11.4488 16.2256 16.2256 16.2370 16.2370 20.9849 20.9849 24.6128 24.6128 24.6278 24.6278 24.9395 24.9395 k = 0.0145-0.0084 0.0118 ( 1139 PWs) bands (ev): -68.4695 -68.4695 -36.8760 -36.8760 -24.7045 -24.7045 -24.7042 -24.7042 3.4601 3.4601 11.1556 11.1556 11.1652 11.1652 11.4494 11.4494 16.2174 16.2174 16.2415 16.2415 20.9945 20.9945 24.6020 24.6020 24.6320 24.6320 24.9375 24.9375 k = 0.0217-0.0126 0.0177 ( 1139 PWs) bands (ev): -68.4695 -68.4695 -36.8762 -36.8762 -24.7050 -24.7050 -24.7045 -24.7045 3.4667 3.4667 11.1522 11.1522 11.1698 11.1698 11.4506 11.4506 16.2069 16.2069 16.2462 16.2462 21.0105 21.0105 24.5888 24.5888 24.6342 24.6342 24.9343 24.9343 k = 0.0290-0.0167 0.0237 ( 1139 PWs) bands (ev): -68.4695 -68.4695 -36.8764 -36.8764 -24.7057 -24.7057 -24.7049 -24.7049 3.4760 3.4760 11.1472 11.1472 11.1761 11.1761 11.4526 11.4526 16.1936 16.1936 16.2513 16.2513 21.0328 21.0328 24.5731 24.5731 24.6343 24.6343 24.9297 24.9297 k = 0.0362-0.0209 0.0296 ( 1135 PWs) bands (ev): -68.4694 -68.4694 -36.8766 -36.8766 -24.7066 -24.7066 -24.7053 -24.7053 3.4880 3.4880 11.1406 11.1406 11.1840 11.1840 11.4557 11.4557 16.1774 16.1774 16.2572 16.2572 21.0614 21.0614 24.5547 24.5547 24.6322 24.6322 24.9237 24.9237 k = 0.0435-0.0251 0.0355 ( 1127 PWs) bands (ev): -68.4693 -68.4693 -36.8769 -36.8769 -24.7077 -24.7077 -24.7059 -24.7059 3.5026 3.5026 11.1319 11.1319 11.1937 11.1937 11.4603 11.4603 16.1581 16.1581 16.2639 16.2639 21.0961 21.0961 24.5335 24.5335 24.6280 24.6280 24.9164 24.9164 k = 0.0507-0.0293 0.0414 ( 1119 PWs) bands (ev): -68.4692 -68.4692 -36.8772 -36.8772 -24.7091 -24.7091 -24.7065 -24.7065 3.5198 3.5198 11.1209 11.1209 11.2052 11.2052 11.4667 11.4667 16.1356 16.1356 16.2717 16.2717 21.1369 21.1369 24.5092 24.5092 24.6215 24.6215 24.9076 24.9076 k = 0.0580-0.0335 0.0473 ( 1127 PWs) bands (ev): -68.4692 -68.4692 -36.8776 -36.8776 -24.7107 -24.7107 -24.7073 -24.7073 3.5395 3.5395 11.1073 11.1073 11.2182 11.2182 11.4749 11.4749 16.1099 16.1099 16.2803 16.2803 21.1837 21.1837 24.4815 24.4815 24.6124 24.6124 24.8971 24.8971 k = 0.0652-0.0377 0.0532 ( 1127 PWs) bands (ev): -68.4691 -68.4691 -36.8780 -36.8780 -24.7125 -24.7125 -24.7081 -24.7081 3.5618 3.5618 11.0913 11.0913 11.2330 11.2330 11.4854 11.4854 16.0814 16.0814 16.2900 16.2900 21.2363 21.2363 24.4504 24.4504 24.6007 24.6007 24.8851 24.8851 k = 0.0725-0.0418 0.0592 ( 1139 PWs) bands (ev): -68.4690 -68.4690 -36.8786 -36.8786 -24.7145 -24.7145 -24.7091 -24.7091 3.5866 3.5866 11.0726 11.0726 11.2495 11.2495 11.4982 11.4982 16.0499 16.0499 16.3007 16.3007 21.2946 21.2946 24.4155 24.4155 24.5860 24.5860 24.8712 24.8712 k = 0.0797-0.0460 0.0651 ( 1139 PWs) bands (ev): -68.4689 -68.4689 -36.8791 -36.8791 -24.7167 -24.7167 -24.7102 -24.7102 3.6139 3.6139 11.0514 11.0514 11.2678 11.2678 11.5135 11.5135 16.0157 16.0157 16.3124 16.3124 21.3584 21.3584 24.3768 24.3768 24.5683 24.5683 24.8557 24.8557 k = 0.0870-0.0502 0.0710 ( 1139 PWs) bands (ev): -68.4688 -68.4688 -36.8797 -36.8797 -24.7190 -24.7190 -24.7113 -24.7113 3.6436 3.6436 11.0278 11.0278 11.2878 11.2878 11.5312 11.5312 15.9789 15.9789 16.3252 16.3252 21.4275 21.4275 24.3341 24.3341 24.5472 24.5472 24.8382 24.8382 k = 0.0942-0.0544 0.0769 ( 1147 PWs) bands (ev): -68.4687 -68.4687 -36.8804 -36.8804 -24.7216 -24.7216 -24.7126 -24.7126 3.6757 3.6757 11.0020 11.0020 11.3095 11.3095 11.5512 11.5512 15.9396 15.9396 16.3389 16.3389 21.5018 21.5018 24.2869 24.2869 24.5224 24.5224 24.8186 24.8186 k = 0.1014-0.0586 0.0828 ( 1147 PWs) bands (ev): -68.4686 -68.4686 -36.8810 -36.8810 -24.7243 -24.7243 -24.7139 -24.7139 3.7101 3.7101 10.9740 10.9740 11.3330 11.3330 11.5736 11.5736 15.8980 15.8980 16.3537 16.3537 21.5811 21.5811 24.2354 24.2354 24.4938 24.4938 24.7968 24.7968 k = 0.1087-0.0628 0.0887 ( 1147 PWs) bands (ev): -68.4684 -68.4684 -36.8818 -36.8818 -24.7272 -24.7272 -24.7153 -24.7153 3.7468 3.7468 10.9442 10.9442 11.3581 11.3581 11.5984 11.5984 15.8543 15.8543 16.3695 16.3695 21.6650 21.6650 24.1793 24.1793 24.4609 24.4609 24.7725 24.7725 k = 0.1159-0.0669 0.0947 ( 1147 PWs) bands (ev): -68.4682 -68.4682 -36.8825 -36.8825 -24.7302 -24.7302 -24.7168 -24.7168 3.7857 3.7857 10.9128 10.9128 11.3850 11.3850 11.6254 11.6254 15.8086 15.8086 16.3863 16.3863 21.7534 21.7534 24.1186 24.1186 24.4236 24.4236 24.7457 24.7457 k = 0.1232-0.0711 0.1006 ( 1151 PWs) bands (ev): -68.4681 -68.4681 -36.8834 -36.8834 -24.7334 -24.7334 -24.7184 -24.7184 3.8268 3.8268 10.8798 10.8798 11.4136 11.4136 11.6546 11.6546 15.7610 15.7610 16.4041 16.4041 21.8460 21.8460 24.0531 24.0531 24.3815 24.3815 24.7158 24.7158 k = 0.1304-0.0753 0.1065 ( 1150 PWs) bands (ev): -68.4679 -68.4679 -36.8842 -36.8842 -24.7367 -24.7367 -24.7200 -24.7200 3.8699 3.8699 10.8455 10.8455 11.4439 11.4439 11.6859 11.6859 15.7120 15.7120 16.4228 16.4228 21.9424 21.9424 23.9829 23.9829 24.3346 24.3346 24.6829 24.6829 k = 0.1377-0.0795 0.1124 ( 1150 PWs) bands (ev): -68.4677 -68.4677 -36.8851 -36.8851 -24.7402 -24.7402 -24.7217 -24.7217 3.9150 3.9150 10.8102 10.8102 11.4759 11.4759 11.7193 11.7193 15.6615 15.6615 16.4424 16.4424 22.0422 22.0422 23.9081 23.9081 24.2827 24.2827 24.6465 24.6465 k = 0.1449-0.0837 0.1183 ( 1138 PWs) bands (ev): -68.4675 -68.4675 -36.8860 -36.8860 -24.7437 -24.7437 -24.7234 -24.7234 3.9621 3.9621 10.7741 10.7741 11.5095 11.5095 11.7548 11.7548 15.6099 15.6099 16.4631 16.4631 22.1450 22.1450 23.8291 23.8291 24.2258 24.2258 24.6065 24.6065 k = 0.1522-0.0879 0.1242 ( 1138 PWs) bands (ev): -68.4673 -68.4673 -36.8869 -36.8869 -24.7475 -24.7475 -24.7252 -24.7252 4.0110 4.0110 10.7371 10.7371 11.5448 11.5448 11.7922 11.7922 15.5573 15.5573 16.4844 16.4844 22.2502 22.2502 23.7458 23.7458 24.1636 24.1636 24.5625 24.5625 k = 0.1594-0.0920 0.1302 ( 1134 PWs) bands (ev): -68.4671 -68.4671 -36.8879 -36.8879 -24.7513 -24.7513 -24.7271 -24.7271 4.0616 4.0616 10.6996 10.6996 11.5818 11.5818 11.8316 11.8316 15.5039 15.5039 16.5066 16.5066 22.3568 22.3568 23.6591 23.6591 24.0961 24.0961 24.5145 24.5145 k = 0.1667-0.0962 0.1361 ( 1138 PWs) bands (ev): -68.4669 -68.4669 -36.8889 -36.8889 -24.7552 -24.7552 -24.7291 -24.7291 4.1139 4.1139 10.6617 10.6617 11.6204 11.6204 11.8729 11.8729 15.4499 15.4499 16.5295 16.5295 22.4635 22.4635 23.5696 23.5696 24.0234 24.0234 24.4623 24.4623 k = 0.1739-0.1004 0.1420 ( 1134 PWs) bands (ev): -68.4667 -68.4667 -36.8899 -36.8899 -24.7593 -24.7593 -24.7311 -24.7311 4.1677 4.1677 10.6236 10.6236 11.6606 11.6606 11.9161 11.9161 15.3958 15.3958 16.5532 16.5532 22.5681 22.5681 23.4792 23.4792 23.9455 23.9455 24.4063 24.4063 k = 0.1812-0.1046 0.1479 ( 1134 PWs) bands (ev): -68.4665 -68.4665 -36.8910 -36.8910 -24.7634 -24.7634 -24.7331 -24.7331 4.2230 4.2230 10.5854 10.5854 11.7024 11.7024 11.9611 11.9611 15.3414 15.3414 16.5775 16.5775 22.6664 22.6664 23.3912 23.3912 23.8626 23.8626 24.3470 24.3470 k = 0.1884-0.1088 0.1538 ( 1134 PWs) bands (ev): -68.4662 -68.4662 -36.8921 -36.8921 -24.7676 -24.7676 -24.7352 -24.7352 4.2796 4.2796 10.5472 10.5472 11.7458 11.7458 12.0078 12.0078 15.2872 15.2872 16.6026 16.6026 22.7501 22.7501 23.3126 23.3126 23.7746 23.7746 24.2855 24.2855 k = 0.1957-0.1130 0.1597 ( 1134 PWs) bands (ev): -68.4660 -68.4660 -36.8932 -36.8932 -24.7719 -24.7719 -24.7373 -24.7373 4.3374 4.3374 10.5093 10.5093 11.7907 11.7907 12.0564 12.0564 15.2334 15.2334 16.6282 16.6282 22.8020 22.8020 23.2585 23.2585 23.6819 23.6819 24.2238 24.2238 k = 0.2029-0.1171 0.1657 ( 1134 PWs) bands (ev): -68.4658 -68.4658 -36.8943 -36.8943 -24.7763 -24.7763 -24.7395 -24.7395 4.3963 4.3963 10.4717 10.4717 11.8372 11.8372 12.1066 12.1066 15.1802 15.1802 16.6545 16.6545 22.7994 22.7994 23.2477 23.2477 23.5846 23.5846 24.1656 24.1656 k = 0.2101-0.1213 0.1716 ( 1130 PWs) bands (ev): -68.4655 -68.4655 -36.8954 -36.8954 -24.7807 -24.7807 -24.7417 -24.7417 4.4562 4.4562 10.4345 10.4345 11.8852 11.8852 12.1585 12.1585 15.1278 15.1278 16.6813 16.6813 22.7417 22.7417 23.2746 23.2746 23.4832 23.4832 24.1173 24.1173 k = 0.2174-0.1255 0.1775 ( 1118 PWs) bands (ev): -68.4653 -68.4653 -36.8965 -36.8965 -24.7850 -24.7850 -24.7439 -24.7439 4.5170 4.5170 10.3980 10.3980 11.9347 11.9347 12.2121 12.2121 15.0765 15.0765 16.7086 16.7086 22.6502 22.6502 23.3063 23.3063 23.3796 23.3796 24.0890 24.0890 k = 0.2246-0.1297 0.1834 ( 1118 PWs) bands (ev): -68.4650 -68.4650 -36.8977 -36.8977 -24.7895 -24.7895 -24.7461 -24.7461 4.5784 4.5784 10.3621 10.3621 11.9856 11.9856 12.2672 12.2672 15.0264 15.0264 16.7363 16.7363 22.5410 22.5410 23.2618 23.2618 23.3266 23.3266 24.0928 24.0928 k = 0.2319-0.1339 0.1893 ( 1118 PWs) bands (ev): -68.4648 -68.4648 -36.8988 -36.8988 -24.7940 -24.7940 -24.7483 -24.7483 4.6404 4.6404 10.3270 10.3270 12.0378 12.0378 12.3238 12.3238 14.9778 14.9778 16.7644 16.7644 22.4219 22.4219 23.1504 23.1504 23.3011 23.3011 24.1354 24.1354 k = 0.2391-0.1381 0.1952 ( 1118 PWs) bands (ev): -68.4646 -68.4646 -36.9000 -36.9000 -24.7986 -24.7986 -24.7506 -24.7506 4.7027 4.7027 10.2928 10.2928 12.0914 12.0914 12.3819 12.3819 14.9310 14.9310 16.7928 16.7928 22.2966 22.2966 23.0335 23.0335 23.2426 23.2426 24.2132 24.2132 k = 0.2464-0.1422 0.2012 ( 1118 PWs) bands (ev): -68.4643 -68.4643 -36.9012 -36.9012 -24.8031 -24.8031 -24.7529 -24.7529 4.7654 4.7654 10.2596 10.2596 12.1462 12.1462 12.4414 12.4414 14.8861 14.8861 16.8214 16.8214 22.1669 22.1669 22.9132 22.9132 23.1573 23.1573 24.3168 24.3168 k = 0.2536-0.1464 0.2071 ( 1118 PWs) bands (ev): -68.4641 -68.4641 -36.9024 -36.9024 -24.8076 -24.8076 -24.7552 -24.7552 4.8281 4.8281 10.2274 10.2274 12.2024 12.2024 12.5023 12.5023 14.8434 14.8434 16.8503 16.8503 22.0340 22.0340 22.7899 22.7899 23.0533 23.0533 24.4376 24.4376 k = 0.2609-0.1506 0.2130 ( 1118 PWs) bands (ev): -68.4638 -68.4638 -36.9035 -36.9035 -24.8122 -24.8122 -24.7574 -24.7574 4.8908 4.8908 10.1964 10.1964 12.2597 12.2597 12.5645 12.5645 14.8031 14.8031 16.8793 16.8793 21.8985 21.8985 22.6639 22.6639 22.9359 22.9359 24.5698 24.5698 k = 0.2681-0.1548 0.2189 ( 1118 PWs) bands (ev): -68.4636 -68.4636 -36.9047 -36.9047 -24.8167 -24.8167 -24.7597 -24.7597 4.9533 4.9533 10.1666 10.1666 12.3181 12.3181 12.6278 12.6278 14.7654 14.7654 16.9084 16.9084 21.7610 21.7610 22.5356 22.5356 22.8088 22.8088 24.7099 24.7099 k = 0.2754-0.1590 0.2248 ( 1118 PWs) bands (ev): -68.4634 -68.4634 -36.9059 -36.9059 -24.8211 -24.8211 -24.7619 -24.7619 5.0155 5.0155 10.1380 10.1380 12.3776 12.3776 12.6924 12.6924 14.7305 14.7305 16.9375 16.9375 21.6219 21.6219 22.4053 22.4053 22.6744 22.6744 24.8557 24.8557 k = 0.2826-0.1632 0.2307 ( 1126 PWs) bands (ev): -68.4631 -68.4631 -36.9070 -36.9070 -24.8256 -24.8256 -24.7642 -24.7642 5.0770 5.0770 10.1107 10.1107 12.4380 12.4380 12.7579 12.7579 14.6986 14.6986 16.9666 16.9666 21.4816 21.4816 22.2731 22.2731 22.5343 22.5343 25.0058 25.0058 k = 0.2899-0.1673 0.2367 ( 1126 PWs) bands (ev): -68.4629 -68.4629 -36.9082 -36.9082 -24.8300 -24.8300 -24.7664 -24.7664 5.1379 5.1379 10.0848 10.0848 12.4994 12.4994 12.8244 12.8244 14.6700 14.6700 16.9956 16.9956 21.3405 21.3405 22.1394 22.1394 22.3900 22.3900 25.1593 25.1593 k = 0.2971-0.1715 0.2426 ( 1118 PWs) bands (ev): -68.4627 -68.4627 -36.9093 -36.9093 -24.8343 -24.8343 -24.7685 -24.7685 5.1980 5.1980 10.0602 10.0602 12.5616 12.5616 12.8918 12.8918 14.6448 14.6448 17.0244 17.0244 21.1991 21.1991 22.0046 22.0046 22.2426 22.2426 25.3155 25.3155 k = 0.3043-0.1757 0.2485 ( 1118 PWs) bands (ev): -68.4624 -68.4624 -36.9104 -36.9104 -24.8385 -24.8385 -24.7707 -24.7707 5.2570 5.2570 10.0371 10.0371 12.6245 12.6245 12.9599 12.9599 14.6231 14.6231 17.0530 17.0530 21.0571 21.0571 21.8686 21.8686 22.0929 22.0929 25.4738 25.4738 k = 0.3116-0.1799 0.2544 ( 1118 PWs) bands (ev): -68.4622 -68.4622 -36.9115 -36.9115 -24.8427 -24.8427 -24.7728 -24.7728 5.3149 5.3149 10.0153 10.0153 12.6880 12.6880 13.0287 13.0287 14.6052 14.6052 17.0813 17.0813 20.9152 20.9152 21.7318 21.7318 21.9418 21.9418 25.6339 25.6339 k = 0.3188-0.1841 0.2603 ( 1118 PWs) bands (ev): -68.4620 -68.4620 -36.9126 -36.9126 -24.8468 -24.8468 -24.7749 -24.7749 5.3715 5.3715 9.9950 9.9950 12.7520 12.7520 13.0979 13.0979 14.5912 14.5912 17.1091 17.1091 20.7736 20.7736 21.5943 21.5943 21.7901 21.7901 25.7955 25.7955 k = 0.3261-0.1883 0.2662 ( 1118 PWs) bands (ev): -68.4618 -68.4618 -36.9136 -36.9136 -24.8508 -24.8508 -24.7769 -24.7769 5.4266 5.4266 9.9760 9.9760 12.8163 12.8163 13.1675 13.1675 14.5812 14.5812 17.1366 17.1366 20.6324 20.6324 21.4563 21.4563 21.6387 21.6387 25.9583 25.9583 k = 0.3333-0.1925 0.2722 ( 1118 PWs) bands (ev): -68.4616 -68.4616 -36.9146 -36.9146 -24.8547 -24.8547 -24.7789 -24.7789 5.4802 5.4802 9.9585 9.9585 12.8809 12.8809 13.2373 13.2373 14.5753 14.5753 17.1635 17.1635 20.4919 20.4919 21.3179 21.3179 21.4884 21.4884 26.1220 26.1220 k = 0.3406-0.1966 0.2781 ( 1118 PWs) bands (ev): -68.4613 -68.4613 -36.9156 -36.9156 -24.8585 -24.8585 -24.7809 -24.7809 5.5320 5.5320 9.9423 9.9423 12.9456 12.9456 13.3070 13.3070 14.5736 14.5736 17.1898 17.1898 20.3524 20.3524 21.1794 21.1794 21.3400 21.3400 26.2864 26.2864 k = 0.3478-0.2008 0.2840 ( 1118 PWs) bands (ev): -68.4611 -68.4611 -36.9166 -36.9166 -24.8622 -24.8622 -24.7827 -24.7827 5.5820 5.5820 9.9274 9.9274 13.0103 13.0103 13.3766 13.3766 14.5762 14.5762 17.2155 17.2155 20.2141 20.2141 21.0409 21.0409 21.1941 21.1941 26.4514 26.4514 k = 0.3551-0.2050 0.2899 ( 1126 PWs) bands (ev): -68.4610 -68.4610 -36.9175 -36.9175 -24.8658 -24.8658 -24.7846 -24.7846 5.6300 5.6300 9.9138 9.9138 13.0748 13.0748 13.4457 13.4457 14.5829 14.5829 17.2404 17.2404 20.0772 20.0772 20.9026 20.9026 21.0514 21.0514 26.6168 26.6168 k = 0.3623-0.2092 0.2958 ( 1126 PWs) bands (ev): -68.4608 -68.4608 -36.9184 -36.9184 -24.8693 -24.8693 -24.7863 -24.7863 5.6760 5.6760 9.9015 9.9015 13.1389 13.1389 13.5142 13.5142 14.5939 14.5939 17.2646 17.2646 19.9420 19.9420 20.7652 20.7652 20.9124 20.9124 26.7823 26.7823 k = 0.3696-0.2134 0.3017 ( 1126 PWs) bands (ev): -68.4606 -68.4606 -36.9193 -36.9193 -24.8726 -24.8726 -24.7880 -24.7880 5.7198 5.7198 9.8903 9.8903 13.2026 13.2026 13.5819 13.5819 14.6089 14.6089 17.2878 17.2878 19.8088 19.8088 20.6293 20.6293 20.7774 20.7774 26.9478 26.9478 k = 0.3768-0.2176 0.3077 ( 1126 PWs) bands (ev): -68.4604 -68.4604 -36.9202 -36.9202 -24.8757 -24.8757 -24.7896 -24.7896 5.7615 5.7615 9.8802 9.8802 13.2656 13.2656 13.6484 13.6484 14.6280 14.6280 17.3101 17.3101 19.6779 19.6779 20.4956 20.4956 20.6465 20.6465 27.1130 27.1130 k = 0.3841-0.2217 0.3136 ( 1118 PWs) bands (ev): -68.4602 -68.4602 -36.9209 -36.9209 -24.8787 -24.8787 -24.7912 -24.7912 5.8009 5.8009 9.8714 9.8714 13.3278 13.3278 13.7135 13.7135 14.6507 14.6507 17.3314 17.3314 19.5495 19.5495 20.3650 20.3650 20.5200 20.5200 27.2779 27.2779 k = 0.3913-0.2259 0.3195 ( 1126 PWs) bands (ev): -68.4601 -68.4601 -36.9217 -36.9217 -24.8816 -24.8816 -24.7927 -24.7927 5.8380 5.8380 9.8633 9.8633 13.3887 13.3887 13.7769 13.7769 14.6768 14.6768 17.3516 17.3516 19.4240 19.4240 20.2383 20.2383 20.3978 20.3978 27.4421 27.4421 k = 0.3986-0.2301 0.3254 ( 1126 PWs) bands (ev): -68.4600 -68.4600 -36.9224 -36.9224 -24.8843 -24.8843 -24.7941 -24.7941 5.8727 5.8727 9.8563 9.8563 13.4485 13.4485 13.8382 13.8382 14.7061 14.7061 17.3707 17.3707 19.3017 19.3017 20.1164 20.1164 20.2802 20.2802 27.6055 27.6055 k = 0.4058-0.2343 0.3313 ( 1126 PWs) bands (ev): -68.4598 -68.4598 -36.9231 -36.9231 -24.8869 -24.8869 -24.7954 -24.7954 5.9050 5.9050 9.8500 9.8500 13.5068 13.5068 13.8971 13.8971 14.7381 14.7381 17.3886 17.3886 19.1831 19.1831 20.0002 20.0002 20.1673 20.1673 27.7678 27.7678 k = 0.4130-0.2385 0.3372 ( 1126 PWs) bands (ev): -68.4597 -68.4597 -36.9237 -36.9237 -24.8892 -24.8892 -24.7966 -24.7966 5.9349 5.9349 9.8446 9.8446 13.5632 13.5632 13.9533 13.9533 14.7723 14.7723 17.4053 17.4053 19.0687 19.0687 19.8904 19.8904 20.0595 20.0595 27.9287 27.9287 k = 0.4203-0.2427 0.3432 ( 1126 PWs) bands (ev): -68.4596 -68.4596 -36.9243 -36.9243 -24.8914 -24.8914 -24.7977 -24.7977 5.9623 5.9623 9.8398 9.8398 13.6176 13.6176 14.0065 14.0065 14.8081 14.8081 17.4206 17.4206 18.9591 18.9591 19.7877 19.7877 19.9570 19.9570 28.0878 28.0878 k = 0.4275-0.2468 0.3491 ( 1130 PWs) bands (ev): -68.4595 -68.4595 -36.9248 -36.9248 -24.8935 -24.8935 -24.7987 -24.7987 5.9874 5.9874 9.8356 9.8356 13.6696 13.6696 14.0562 14.0562 14.8448 14.8448 17.4347 17.4347 18.8548 18.8548 19.6928 19.6928 19.8602 19.8602 28.2448 28.2448 k = 0.4348-0.2510 0.3550 ( 1130 PWs) bands (ev): -68.4594 -68.4594 -36.9253 -36.9253 -24.8953 -24.8953 -24.7997 -24.7997 6.0100 6.0100 9.8321 9.8321 13.7187 13.7187 14.1022 14.1022 14.8819 14.8819 17.4474 17.4474 18.7566 18.7566 19.6064 19.6064 19.7696 19.7696 28.3990 28.3990 k = 0.4420-0.2552 0.3609 ( 1130 PWs) bands (ev): -68.4593 -68.4593 -36.9258 -36.9258 -24.8970 -24.8970 -24.8005 -24.8005 6.0301 6.0301 9.8291 9.8291 13.7647 13.7647 14.1440 14.1440 14.9183 14.9183 17.4588 17.4588 18.6652 18.6652 19.5288 19.5288 19.6856 19.6856 28.5498 28.5498 k = 0.4493-0.2594 0.3668 ( 1122 PWs) bands (ev): -68.4592 -68.4592 -36.9261 -36.9261 -24.8984 -24.8984 -24.8012 -24.8012 6.0479 6.0479 9.8266 9.8266 13.8070 13.8070 14.1816 14.1816 14.9535 14.9535 17.4689 17.4689 18.5816 18.5816 19.4607 19.4607 19.6087 19.6087 28.6963 28.6963 k = 0.4565-0.2636 0.3727 ( 1122 PWs) bands (ev): -68.4591 -68.4591 -36.9265 -36.9265 -24.8997 -24.8997 -24.8019 -24.8019 6.0633 6.0633 9.8245 9.8245 13.8451 13.8451 14.2145 14.2145 14.9864 14.9864 17.4775 17.4775 18.5066 18.5066 19.4021 19.4021 19.5394 19.5394 28.8371 28.8371 k = 0.4638-0.2678 0.3787 ( 1130 PWs) bands (ev): -68.4591 -68.4591 -36.9268 -36.9268 -24.9008 -24.9008 -24.8025 -24.8025 6.0762 6.0762 9.8228 9.8228 13.8785 13.8785 14.2425 14.2425 15.0161 15.0161 17.4845 17.4845 18.4409 18.4409 19.3535 19.3535 19.4784 19.4784 28.9702 28.9702 k = 0.4710-0.2719 0.3846 ( 1130 PWs) bands (ev): -68.4590 -68.4590 -36.9270 -36.9270 -24.9017 -24.9017 -24.8030 -24.8030 6.0868 6.0868 9.8214 9.8214 13.9068 13.9068 14.2656 14.2656 15.0419 15.0419 17.4905 17.4905 18.3856 18.3856 19.3149 19.3149 19.4263 19.4263 29.0927 29.0927 k = 0.4783-0.2761 0.3905 ( 1130 PWs) bands (ev): -68.4590 -68.4590 -36.9272 -36.9272 -24.9024 -24.9024 -24.8033 -24.8033 6.0950 6.0950 9.8204 9.8204 13.9294 13.9294 14.2836 14.2836 15.0629 15.0629 17.4951 17.4951 18.3417 18.3417 19.2860 19.2860 19.3839 19.3839 29.2004 29.2004 k = 0.4855-0.2803 0.3964 ( 1130 PWs) bands (ev): -68.4590 -68.4590 -36.9273 -36.9273 -24.9029 -24.9029 -24.8036 -24.8036 6.1009 6.1009 9.8197 9.8197 13.9458 13.9458 14.2965 14.2965 15.0785 15.0785 17.4984 17.4984 18.3096 18.3096 19.2665 19.2665 19.3521 19.3521 29.2869 29.2869 k = 0.4928-0.2845 0.4023 ( 1138 PWs) bands (ev): -68.4590 -68.4590 -36.9274 -36.9274 -24.9032 -24.9032 -24.8038 -24.8038 6.1044 6.1044 9.8192 9.8192 13.9559 13.9559 14.3042 14.3042 15.0880 15.0880 17.5003 17.5003 18.2901 18.2901 19.2554 19.2554 19.3322 19.3322 29.3442 29.3442 k = 0.5000-0.2887 0.4082 ( 1138 PWs) bands (ev): -68.4590 -68.4590 -36.9275 -36.9275 -24.9033 -24.9033 -24.8038 -24.8038 6.1055 6.1055 9.8191 9.8191 13.9592 13.9592 14.3068 14.3068 15.0913 15.0913 17.5010 17.5010 18.2836 18.2836 19.2518 19.2518 19.3254 19.3254 29.3644 29.3644 k = 0.5000-0.2887 0.4082 ( 1138 PWs) bands (ev): -68.4590 -68.4590 -36.9275 -36.9275 -24.9033 -24.9033 -24.8038 -24.8038 6.1055 6.1055 9.8191 9.8191 13.9592 13.9592 14.3068 14.3068 15.0913 15.0913 17.5010 17.5010 18.2836 18.2836 19.2518 19.2518 19.3254 19.3254 29.3644 29.3644 k = 0.5000-0.2804 0.4141 ( 1130 PWs) bands (ev): -68.4589 -68.4589 -36.9276 -36.9273 -24.9038 -24.9028 -24.8038 -24.8038 6.0987 6.1125 9.8193 9.8220 13.9406 13.9757 14.3025 14.3076 15.0660 15.1171 17.4737 17.5228 18.2235 18.3335 19.2198 19.2658 19.2921 19.3988 29.3638 29.3645 k = 0.5000-0.2722 0.4199 ( 1126 PWs) bands (ev): -68.4589 -68.4589 -36.9277 -36.9272 -24.9041 -24.9021 -24.8039 -24.8039 6.0920 6.1195 9.8226 9.8281 13.9199 13.9895 14.2947 14.3051 15.0416 15.1435 17.4397 17.5394 18.1601 18.3648 19.1875 19.2752 19.2882 19.4923 29.3626 29.3641 k = 0.5000-0.2639 0.4257 ( 1126 PWs) bands (ev): -68.4589 -68.4589 -36.9278 -36.9271 -24.9045 -24.9015 -24.8041 -24.8041 6.0854 6.1266 9.8290 9.8372 13.8973 14.0004 14.2831 14.2995 15.0179 15.1701 17.3982 17.5514 18.0982 18.3708 19.1790 19.2855 19.2959 19.5962 29.3609 29.3631 k = 0.5000-0.2557 0.4316 ( 1128 PWs) bands (ev): -68.4589 -68.4589 -36.9280 -36.9269 -24.9047 -24.9007 -24.8044 -24.8044 6.0790 6.1338 9.8385 9.8495 13.8732 14.0078 14.2679 14.2910 14.9951 15.1970 17.3491 17.5590 18.0413 18.3504 19.1962 19.2978 19.3140 19.7066 29.3585 29.3615 k = 0.5000-0.2474 0.4374 ( 1128 PWs) bands (ev): -68.4589 -68.4589 -36.9281 -36.9268 -24.9049 -24.8999 -24.8047 -24.8047 6.0727 6.1411 9.8510 9.8648 13.8475 14.0112 14.2491 14.2801 14.9735 15.2239 17.2922 17.5621 17.9912 18.3089 19.2280 19.3123 19.3484 19.8211 29.3557 29.3595 k = 0.5000-0.2392 0.4432 ( 1130 PWs) bands (ev): -68.4589 -68.4589 -36.9282 -36.9267 -24.9051 -24.8991 -24.8052 -24.8051 6.0666 6.1484 9.8666 9.8833 13.8204 14.0102 14.2268 14.2672 14.9529 15.2508 17.2287 17.5605 17.9487 18.2545 19.2594 19.3291 19.4061 19.9383 29.3524 29.3571 k = 0.5000-0.2309 0.4491 ( 1130 PWs) bands (ev): -68.4589 -68.4589 -36.9283 -36.9266 -24.9051 -24.8981 -24.8057 -24.8055 6.0607 6.1557 9.8852 9.9048 13.7918 14.0041 14.2011 14.2526 14.9337 15.2775 17.1599 17.5534 17.9132 18.1948 19.2856 19.3480 19.4848 20.0570 29.3488 29.3544 k = 0.5000-0.2227 0.4549 ( 1130 PWs) bands (ev): -68.4589 -68.4589 -36.9285 -36.9265 -24.9051 -24.8971 -24.8062 -24.8061 6.0549 6.1630 9.9068 9.9293 13.7619 13.9923 14.1722 14.2368 14.9158 15.3040 17.0875 17.5401 17.8841 18.1352 19.3092 19.3689 19.5770 20.1765 29.3448 29.3515 k = 0.5000-0.2144 0.4607 ( 1130 PWs) bands (ev): -68.4589 -68.4589 -36.9286 -36.9264 -24.9051 -24.8960 -24.8069 -24.8066 6.0493 6.1703 9.9314 9.9569 13.7305 13.9746 14.1402 14.2199 14.8995 15.3300 17.0133 17.5196 17.8603 18.0800 19.3327 19.3917 19.6768 20.2960 29.3406 29.3484 k = 0.5000-0.2062 0.4666 ( 1134 PWs) bands (ev): -68.4590 -68.4590 -36.9287 -36.9262 -24.9050 -24.8949 -24.8076 -24.8073 6.0439 6.1775 9.9588 9.9874 13.6974 13.9506 14.1056 14.2020 14.8849 15.3555 16.9387 17.4912 17.8408 18.0318 19.3571 19.4161 19.7808 20.4148 29.3361 29.3452 k = 0.5000-0.1979 0.4724 ( 1134 PWs) bands (ev): -68.4590 -68.4590 -36.9288 -36.9261 -24.9048 -24.8937 -24.8084 -24.8080 6.0387 6.1847 9.9891 10.0208 13.6626 13.9204 14.0688 14.1832 14.8721 15.3804 16.8652 17.4551 17.8248 17.9922 19.3827 19.4420 19.8869 20.5326 29.3317 29.3419 k = 0.5000-0.1897 0.4782 ( 1134 PWs) bands (ev): -68.4590 -68.4590 -36.9289 -36.9260 -24.9046 -24.8925 -24.8093 -24.8087 6.0338 6.1918 10.0222 10.0571 13.6258 13.8840 14.0300 14.1632 14.8612 15.4046 16.7938 17.4121 17.8117 17.9612 19.4098 19.4693 19.9935 20.6489 29.3272 29.3388 k = 0.5000-0.1815 0.4841 ( 1134 PWs) bands (ev): -68.4590 -68.4590 -36.9290 -36.9259 -24.9043 -24.8912 -24.8102 -24.8094 6.0290 6.1989 10.0580 10.0963 13.5867 13.8418 13.9900 14.1421 14.8522 15.4281 16.7252 17.3638 17.8007 17.9379 19.4382 19.4977 20.0998 20.7632 29.3229 29.3359 k = 0.5000-0.1732 0.4899 ( 1136 PWs) bands (ev): -68.4590 -68.4590 -36.9291 -36.9258 -24.9039 -24.8898 -24.8112 -24.8102 6.0244 6.2058 10.0965 10.1382 13.5449 13.7938 13.9494 14.1198 14.8452 15.4508 16.6601 17.3121 17.7916 17.9209 19.4679 19.5269 20.2047 20.8751 29.3187 29.3332 k = 0.5000-0.1650 0.4957 ( 1134 PWs) bands (ev): -68.4590 -68.4590 -36.9292 -36.9257 -24.9036 -24.8884 -24.8123 -24.8111 6.0200 6.2126 10.1375 10.1829 13.5000 13.7404 13.9088 14.0964 14.8399 15.4726 16.5989 17.2588 17.7841 17.9089 19.4986 19.5568 20.3079 20.9843 29.3149 29.3309 k = 0.5000-0.1567 0.5016 ( 1130 PWs) bands (ev): -68.4589 -68.4589 -36.9293 -36.9256 -24.9031 -24.8870 -24.8134 -24.8119 6.0159 6.2193 10.1810 10.2301 13.4518 13.6817 13.8688 14.0723 14.8365 15.4936 16.5419 17.2052 17.7778 17.9006 19.5302 19.5873 20.4086 21.0904 29.3115 29.3292 k = 0.5000-0.1485 0.5074 ( 1134 PWs) bands (ev): -68.4590 -68.4590 -36.9294 -36.9255 -24.9027 -24.8855 -24.8146 -24.8128 6.0119 6.2257 10.2267 10.2798 13.4000 13.6183 13.8301 14.0476 14.8344 15.5137 16.4890 17.1526 17.7725 17.8950 19.5623 19.6179 20.5063 21.1931 29.3085 29.3278 k = 0.5000-0.1402 0.5132 ( 1134 PWs) bands (ev): -68.4590 -68.4590 -36.9295 -36.9254 -24.9022 -24.8840 -24.8158 -24.8137 6.0082 6.2319 10.2747 10.3320 13.3444 13.5503 13.7933 14.0228 14.8338 15.5327 16.4405 17.1017 17.7680 17.8914 19.5949 19.6486 20.6009 21.2920 29.3061 29.3270 k = 0.5000-0.1320 0.5191 ( 1130 PWs) bands (ev): -68.4589 -68.4589 -36.9296 -36.9253 -24.9017 -24.8824 -24.8170 -24.8145 6.0047 6.2380 10.3248 10.3864 13.2852 13.4783 13.7587 13.9980 14.8343 15.5509 16.3961 17.0532 17.7644 17.8893 19.6275 19.6791 20.6918 21.3870 29.3044 29.3270 k = 0.5000-0.1237 0.5249 ( 1134 PWs) bands (ev): -68.4590 -68.4590 -36.9297 -36.9253 -24.9012 -24.8808 -24.8184 -24.8155 6.0014 6.2437 10.3766 10.4429 13.2225 13.4028 13.7263 13.9736 14.8356 15.5680 16.3558 17.0073 17.7612 17.8881 19.6599 19.7091 20.7787 21.4776 29.3033 29.3275 k = 0.5000-0.1155 0.5307 ( 1134 PWs) bands (ev): -68.4590 -68.4590 -36.9298 -36.9252 -24.9007 -24.8792 -24.8198 -24.8164 5.9983 6.2492 10.4302 10.5013 13.1568 13.3243 13.6965 13.9499 14.8377 15.5840 16.3195 16.9644 17.7587 17.8877 19.6919 19.7385 20.8613 21.5636 29.3030 29.3287 k = 0.5000-0.1072 0.5366 ( 1134 PWs) bands (ev): -68.4590 -68.4590 -36.9298 -36.9251 -24.9001 -24.8776 -24.8212 -24.8173 5.9954 6.2545 10.4851 10.5614 13.0887 13.2434 13.6691 13.9271 14.8403 15.5991 16.2868 16.9246 17.7566 17.8879 19.7232 19.7670 20.9394 21.6447 29.3034 29.3305 k = 0.5000-0.0990 0.5424 ( 1138 PWs) bands (ev): -68.4590 -68.4590 -36.9299 -36.9251 -24.8996 -24.8760 -24.8226 -24.8182 5.9927 6.2594 10.5410 10.6229 13.0188 13.1609 13.6442 13.9053 14.8433 15.6130 16.2575 16.8879 17.7548 17.8885 19.7534 19.7943 21.0126 21.7208 29.3044 29.3330 k = 0.5000-0.0907 0.5482 ( 1130 PWs) bands (ev): -68.4589 -68.4589 -36.9300 -36.9250 -24.8990 -24.8743 -24.8240 -24.8190 5.9903 6.2640 10.5977 10.6856 12.9479 13.0775 13.6217 13.8849 14.8465 15.6259 16.2316 16.8545 17.7534 17.8894 19.7825 19.8206 21.0809 21.7917 29.3063 29.3362 k = 0.5000-0.0825 0.5541 ( 1134 PWs) bands (ev): -68.4590 -68.4589 -36.9300 -36.9249 -24.8985 -24.8728 -24.8254 -24.8198 5.9881 6.2683 10.6546 10.7489 12.8767 12.9940 13.6013 13.8657 14.8497 15.6377 16.2087 16.8241 17.7523 17.8903 19.8099 19.8451 21.1439 21.8570 29.3087 29.3397 k = 0.5000-0.0742 0.5599 ( 1134 PWs) bands (ev): -68.4589 -68.4589 -36.9301 -36.9249 -24.8980 -24.8712 -24.8269 -24.8205 5.9861 6.2722 10.7112 10.8123 12.8062 12.9111 13.5831 13.8481 14.8530 15.6485 16.1886 16.7969 17.7514 17.8914 19.8356 19.8680 21.2015 21.9167 29.3117 29.3437 k = 0.5000-0.0660 0.5657 ( 1134 PWs) bands (ev): -68.4589 -68.4589 -36.9301 -36.9248 -24.8976 -24.8696 -24.8283 -24.8212 5.9843 6.2758 10.7669 10.8752 12.7372 12.8300 13.5669 13.8321 14.8561 15.6581 16.1711 16.7728 17.7506 17.8925 19.8592 19.8890 21.2535 21.9705 29.3151 29.3479 k = 0.5000-0.0577 0.5715 ( 1134 PWs) bands (ev): -68.4589 -68.4589 -36.9302 -36.9248 -24.8971 -24.8681 -24.8296 -24.8219 5.9827 6.2789 10.8208 10.9367 12.6710 12.7517 13.5528 13.8178 14.8591 15.6666 16.1561 16.7517 17.7500 17.8935 19.8807 19.9080 21.2997 22.0183 29.3187 29.3522 k = 0.5000-0.0495 0.5774 ( 1134 PWs) bands (ev): -68.4589 -68.4589 -36.9302 -36.9248 -24.8967 -24.8667 -24.8309 -24.8225 5.9814 6.2817 10.8718 10.9959 12.6088 12.6776 13.5406 13.8053 14.8618 15.6741 16.1434 16.7336 17.7496 17.8945 19.8997 19.9248 21.3401 22.0601 29.3225 29.3565 k = 0.5000-0.0412 0.5832 ( 1134 PWs) bands (ev): -68.4589 -68.4589 -36.9303 -36.9247 -24.8964 -24.8654 -24.8321 -24.8230 5.9802 6.2841 10.9189 11.0512 12.5518 12.6092 13.5304 13.7946 14.8641 15.6803 16.1329 16.7183 17.7492 17.8954 19.9160 19.9392 21.3744 22.0956 29.3261 29.3605 k = 0.5000-0.0330 0.5890 ( 1134 PWs) bands (ev): -68.4589 -68.4589 -36.9303 -36.9247 -24.8961 -24.8643 -24.8332 -24.8234 5.9793 6.2860 10.9607 11.1010 12.5018 12.5485 13.5220 13.7858 14.8661 15.6855 16.1245 16.7059 17.7490 17.8961 19.9297 19.9511 21.4027 22.1247 29.3294 29.3641 k = 0.5000-0.0247 0.5949 ( 1134 PWs) bands (ev): -68.4589 -68.4589 -36.9303 -36.9247 -24.8958 -24.8633 -24.8341 -24.8237 5.9785 6.2875 10.9955 11.1432 12.4604 12.4976 13.5156 13.7789 14.8677 15.6895 16.1180 16.6964 17.7488 17.8967 19.9404 19.9605 21.4247 22.1475 29.3323 29.3671 k = 0.5000-0.0165 0.6007 ( 1134 PWs) bands (ev): -68.4589 -68.4589 -36.9303 -36.9247 -24.8957 -24.8626 -24.8348 -24.8240 5.9780 6.2886 11.0219 11.1757 12.4293 12.4588 13.5110 13.7740 14.8688 15.6924 16.1135 16.6895 17.7487 17.8971 19.9482 19.9673 21.4405 22.1638 29.3344 29.3694 k = 0.5000-0.0082 0.6065 ( 1134 PWs) bands (ev): -68.4589 -68.4589 -36.9303 -36.9247 -24.8956 -24.8621 -24.8352 -24.8241 5.9777 6.2893 11.0384 11.1963 12.4099 12.4345 13.5082 13.7710 14.8695 15.6941 16.1107 16.6855 17.7486 17.8974 19.9528 19.9714 21.4500 22.1736 29.3358 29.3708 k = 0.5000-0.0000 0.6124 ( 1124 PWs) bands (ev): -68.4589 -68.4589 -36.9303 -36.9246 -24.8955 -24.8619 -24.8353 -24.8241 5.9776 6.2896 11.0440 11.2034 12.4034 12.4262 13.5074 13.7701 14.8698 15.6947 16.1099 16.6842 17.7486 17.8975 19.9545 19.9729 21.4533 22.1770 29.3363 29.3713 k = 0.5000-0.0000 0.6124 ( 1124 PWs) bands (ev): -68.4589 -68.4589 -36.9303 -36.9246 -24.8955 -24.8619 -24.8353 -24.8241 5.9776 6.2896 11.0440 11.2034 12.4034 12.4262 13.5074 13.7701 14.8698 15.6947 16.1099 16.6842 17.7486 17.8975 19.9545 19.9729 21.4533 22.1770 29.3363 29.3713 k = 0.4950 0.0087 0.6124 ( 1131 PWs) bands (ev): -68.4589 -68.4589 -36.9303 -36.9247 -24.8955 -24.8620 -24.8353 -24.8241 5.9773 6.2891 11.0416 11.2003 12.4023 12.4312 13.5102 13.7727 14.8665 15.6842 16.1180 16.6866 17.7498 17.8983 19.9437 19.9844 21.4520 22.1754 29.3309 29.3690 k = 0.4900 0.0173 0.6124 ( 1135 PWs) bands (ev): -68.4590 -68.4590 -36.9303 -36.9246 -24.8956 -24.8623 -24.8349 -24.8239 5.9766 6.2878 11.0343 11.1910 12.4018 12.4443 13.5184 13.7804 14.8565 15.6542 16.1406 16.6938 17.7533 17.9010 19.9277 20.0034 21.4482 22.1704 29.3155 29.3625 k = 0.4850 0.0260 0.6124 ( 1135 PWs) bands (ev): -68.4590 -68.4590 -36.9303 -36.9246 -24.8957 -24.8627 -24.8344 -24.8236 5.9756 6.2857 11.0225 11.1759 12.4050 12.4634 13.5315 13.7926 14.8398 15.6094 16.1731 16.7058 17.7587 17.9058 19.9118 20.0247 21.4414 22.1619 29.2916 29.3515 k = 0.4800 0.0346 0.6124 ( 1135 PWs) bands (ev): -68.4590 -68.4590 -36.9302 -36.9246 -24.8959 -24.8632 -24.8338 -24.8231 5.9742 6.2830 11.0065 11.1556 12.4127 12.4878 13.5488 13.8086 14.8165 15.5540 16.2108 16.7220 17.7657 17.9133 19.8971 20.0479 21.4312 22.1495 29.2614 29.3357 k = 0.4750 0.0433 0.6124 ( 1135 PWs) bands (ev): -68.4590 -68.4590 -36.9302 -36.9246 -24.8961 -24.8639 -24.8330 -24.8226 5.9724 6.2796 10.9869 11.1307 12.4254 12.5170 13.5697 13.8277 14.7873 15.4914 16.2502 16.7417 17.7743 17.9237 19.8838 20.0730 21.4174 22.1329 29.2263 29.3153 k = 0.4700 0.0520 0.6124 ( 1135 PWs) bands (ev): -68.4590 -68.4590 -36.9301 -36.9245 -24.8963 -24.8646 -24.8321 -24.8219 5.9704 6.2757 10.9642 11.1022 12.4430 12.5509 13.5936 13.8491 14.7527 15.4238 16.2889 16.7639 17.7845 17.9374 19.8723 20.1000 21.3997 22.1121 29.1878 29.2906 k = 0.4650 0.0606 0.6124 ( 1135 PWs) bands (ev): -68.4590 -68.4590 -36.9300 -36.9245 -24.8966 -24.8653 -24.8311 -24.8212 5.9682 6.2712 10.9390 11.0708 12.4653 12.5891 13.6199 13.8720 14.7135 15.3527 16.3255 16.7874 17.7966 17.9543 19.8629 20.1290 21.3781 22.0869 29.1469 29.2621 k = 0.4600 0.0693 0.6124 ( 1135 PWs) bands (ev): -68.4590 -68.4590 -36.9299 -36.9245 -24.8969 -24.8661 -24.8301 -24.8204 5.9659 6.2664 10.9120 11.0375 12.4921 12.6311 13.6481 13.8955 14.6707 15.2792 16.3590 16.8113 17.8110 17.9745 19.8559 20.1601 21.3525 22.0573 29.1045 29.2302 k = 0.4550 0.0779 0.6124 ( 1130 PWs) bands (ev): -68.4590 -68.4590 -36.9298 -36.9244 -24.8972 -24.8669 -24.8290 -24.8196 5.9634 6.2613 10.8839 11.0030 12.5230 12.6766 13.6777 13.9188 14.6254 15.2042 16.3887 16.8344 17.8279 17.9977 19.8516 20.1932 21.3228 22.0234 29.0616 29.1955 k = 0.4500 0.0866 0.6124 ( 1134 PWs) bands (ev): -68.4590 -68.4590 -36.9298 -36.9244 -24.8975 -24.8677 -24.8279 -24.8187 5.9608 6.2559 10.8552 10.9680 12.5576 12.7253 13.7079 13.9405 14.5786 15.1283 16.4140 16.8557 17.8477 18.0235 19.8501 20.2285 21.2891 21.9852 29.0188 29.1585 k = 0.4450 0.0953 0.6124 ( 1134 PWs) bands (ev): -68.4591 -68.4591 -36.9297 -36.9243 -24.8979 -24.8684 -24.8269 -24.8179 5.9582 6.2503 10.8264 10.9332 12.5956 12.7768 13.7383 13.9597 14.5317 15.0523 16.4350 16.8747 17.8707 18.0515 19.8519 20.2659 21.2516 21.9429 28.9767 29.1198 k = 0.4400 0.1039 0.6124 ( 1134 PWs) bands (ev): -68.4591 -68.4591 -36.9296 -36.9243 -24.8982 -24.8692 -24.8258 -24.8170 5.9555 6.2447 10.7980 10.8991 12.6368 12.8307 13.7680 13.9748 14.4862 14.9768 16.4517 16.8907 17.8968 18.0809 19.8571 20.3056 21.2105 21.8966 28.9359 29.0799 k = 0.4350 0.1126 0.6124 ( 1134 PWs) bands (ev): -68.4591 -68.4591 -36.9295 -36.9243 -24.8986 -24.8699 -24.8248 -24.8161 5.9530 6.2390 10.7705 10.8661 12.6807 12.8868 13.7959 13.9845 14.4435 14.9029 16.4642 16.9035 17.9257 18.1112 19.8660 20.3473 21.1661 21.8467 28.8970 29.0396 k = 0.4300 0.1212 0.6124 ( 1134 PWs) bands (ev): -68.4591 -68.4591 -36.9294 -36.9242 -24.8990 -24.8706 -24.8238 -24.8153 5.9505 6.2335 10.7442 10.8346 12.7272 12.9447 13.8206 13.9878 14.4052 14.8316 16.4729 16.9132 17.9571 18.1416 19.8786 20.3911 21.1188 21.7933 28.8604 28.9995 k = 0.4250 0.1299 0.6124 ( 1133 PWs) bands (ev): -68.4591 -68.4591 -36.9293 -36.9242 -24.8993 -24.8712 -24.8229 -24.8145 5.9481 6.2281 10.7193 10.8050 12.7760 13.0040 13.8392 13.9855 14.3715 14.7644 16.4783 16.9199 17.9904 18.1713 19.8952 20.4368 21.0691 21.7368 28.8265 28.9601 k = 0.4200 0.1386 0.6124 ( 1133 PWs) bands (ev): -68.4591 -68.4591 -36.9292 -36.9241 -24.8996 -24.8718 -24.8220 -24.8138 5.9458 6.2230 10.6963 10.7775 12.8267 13.0644 13.8470 13.9812 14.3415 14.7036 16.4808 16.9240 18.0248 18.1995 19.9158 20.4840 21.0179 21.6776 28.7956 28.9222 k = 0.4150 0.1472 0.6124 ( 1135 PWs) bands (ev): -68.4591 -68.4591 -36.9292 -36.9241 -24.8999 -24.8724 -24.8212 -24.8131 5.9437 6.2182 10.6752 10.7524 12.8792 13.1252 13.8388 13.9807 14.3122 14.6516 16.4810 16.9260 18.0595 18.2255 19.9402 20.5321 20.9663 21.6160 28.7679 28.8862 k = 0.4100 0.1559 0.6124 ( 1135 PWs) bands (ev): -68.4591 -68.4591 -36.9291 -36.9241 -24.9002 -24.8728 -24.8205 -24.8125 5.9418 6.2138 10.6562 10.7298 12.9332 13.1857 13.8143 13.9854 14.2806 14.6110 16.4795 16.9262 18.0937 18.2486 19.9684 20.5795 20.9163 21.5525 28.7437 28.8528 k = 0.4050 0.1645 0.6124 ( 1135 PWs) bands (ev): -68.4592 -68.4592 -36.9290 -36.9241 -24.9005 -24.8733 -24.8199 -24.8119 5.9401 6.2098 10.6395 10.7100 12.9884 13.2446 13.7793 13.9909 14.2454 14.5824 16.4769 16.9253 18.1267 18.2682 19.9997 20.6228 20.8725 21.4875 28.7231 28.8224 k = 0.4000 0.1732 0.6124 ( 1137 PWs) bands (ev): -68.4592 -68.4592 -36.9290 -36.9241 -24.9007 -24.8736 -24.8193 -24.8114 5.9386 6.2063 10.6253 10.6930 13.0444 13.2997 13.7403 13.9915 14.2090 14.5647 16.4736 16.9235 18.1575 18.2839 20.0333 20.6526 20.8447 21.4216 28.7062 28.7953 k = 0.3950 0.1819 0.6124 ( 1135 PWs) bands (ev): -68.4592 -68.4592 -36.9289 -36.9240 -24.9009 -24.8739 -24.8189 -24.8110 5.9374 6.2034 10.6135 10.6789 13.1007 13.3467 13.7040 13.9817 14.1776 14.5550 16.4702 16.9216 18.1853 18.2956 20.0680 20.6548 20.8486 21.3556 28.6929 28.7721 k = 0.3900 0.1905 0.6124 ( 1136 PWs) bands (ev): -68.4592 -68.4592 -36.9289 -36.9240 -24.9010 -24.8741 -24.8185 -24.8107 5.9364 6.2011 10.6042 10.6679 13.1565 13.3784 13.6786 13.9585 14.1563 14.5503 16.4671 16.9196 18.2093 18.3032 20.1016 20.6325 20.8822 21.2905 28.6830 28.7531 k = 0.3850 0.1992 0.6124 ( 1136 PWs) bands (ev): -68.4592 -68.4592 -36.9289 -36.9240 -24.9011 -24.8743 -24.8182 -24.8105 5.9357 6.1994 10.5976 10.6600 13.2104 13.3863 13.6718 13.9258 14.1454 14.5485 16.4647 16.9180 18.2283 18.3072 20.1310 20.6039 20.9290 21.2284 28.6765 28.7390 k = 0.3800 0.2078 0.6124 ( 1136 PWs) bands (ev): -68.4592 -68.4592 -36.9289 -36.9240 -24.9012 -24.8744 -24.8181 -24.8104 5.9353 6.1984 10.5936 10.6552 13.2586 13.3712 13.6806 13.8948 14.1410 14.5479 16.4631 16.9170 18.2408 18.3086 20.1518 20.5816 20.9750 21.1751 28.6729 28.7301 k = 0.3750 0.2165 0.6124 ( 1136 PWs) bands (ev): -68.4592 -68.4592 -36.9289 -36.9240 -24.9012 -24.8745 -24.8180 -24.8103 5.9352 6.1981 10.5923 10.6536 13.2842 13.3554 13.6874 13.8813 14.1399 14.5478 16.4625 16.9166 18.2453 18.3088 20.1594 20.5733 20.9980 21.1498 28.6717 28.7271 k = 0.3750 0.2165 0.6124 ( 1136 PWs) bands (ev): -68.4592 -68.4592 -36.9289 -36.9240 -24.9012 -24.8745 -24.8180 -24.8103 5.9352 6.1981 10.5923 10.6536 13.2842 13.3554 13.6874 13.8813 14.1399 14.5478 16.4625 16.9166 18.2453 18.3088 20.1594 20.5733 20.9980 21.1498 28.6717 28.7271 k = 0.3699 0.2135 0.6040 ( 1135 PWs) bands (ev): -68.4592 -68.4592 -36.9287 -36.9238 -24.9008 -24.8732 -24.8181 -24.8099 5.9244 6.1919 10.6444 10.7075 13.2065 13.3150 13.6281 13.7689 14.1702 14.5819 16.4205 16.8731 18.3296 18.3700 20.1611 20.6425 21.0324 21.2487 28.6107 28.6648 k = 0.3647 0.2106 0.5956 ( 1135 PWs) bands (ev): -68.4593 -68.4593 -36.9286 -36.9236 -24.9004 -24.8720 -24.8181 -24.8093 5.9128 6.1843 10.6964 10.7612 13.1245 13.2733 13.5685 13.6502 14.2140 14.6253 16.3786 16.8292 18.4152 18.4336 20.1580 20.6966 21.0775 21.3490 28.5491 28.6018 k = 0.3596 0.2076 0.5872 ( 1135 PWs) bands (ev): -68.4593 -68.4593 -36.9284 -36.9233 -24.9000 -24.8709 -24.8179 -24.8086 5.9005 6.1753 10.7481 10.8145 13.0384 13.2303 13.5095 13.5295 14.2669 14.6777 16.3370 16.7852 18.4984 18.5014 20.1511 20.7329 21.1367 21.4502 28.4875 28.5385 k = 0.3545 0.2046 0.5788 ( 1135 PWs) bands (ev): -68.4594 -68.4593 -36.9282 -36.9230 -24.8995 -24.8698 -24.8174 -24.8078 5.8874 6.1648 10.7994 10.8672 12.9490 13.1859 13.4091 13.4516 14.3278 14.7383 16.2958 16.7412 18.5634 18.5871 20.1416 20.7524 21.2096 21.5524 28.4260 28.4752 k = 0.3493 0.2017 0.5704 ( 1135 PWs) bands (ev): -68.4594 -68.4594 -36.9279 -36.9228 -24.8990 -24.8689 -24.8168 -24.8069 5.8734 6.1528 10.8501 10.9190 12.8569 13.1390 13.2910 13.3951 14.3958 14.8068 16.2551 16.6974 18.6269 18.6715 20.1308 20.7590 21.2929 21.6553 28.3648 28.4122 k = 0.3442 0.1987 0.5620 ( 1135 PWs) bands (ev): -68.4595 -68.4595 -36.9276 -36.9225 -24.8985 -24.8680 -24.8160 -24.8059 5.8586 6.1393 10.9002 10.9699 12.7627 13.0848 13.1808 13.3399 14.4706 14.8826 16.2152 16.6541 18.6873 18.7534 20.1205 20.7571 21.3835 21.7586 28.3043 28.3499 k = 0.3390 0.1957 0.5537 ( 1135 PWs) bands (ev): -68.4595 -68.4595 -36.9273 -36.9221 -24.8979 -24.8672 -24.8150 -24.8047 5.8428 6.1242 10.9493 11.0196 12.6671 13.0074 13.0950 13.2861 14.5517 14.9653 16.1764 16.6114 18.7428 18.8316 20.1127 20.7505 21.4787 21.8623 28.2445 28.2884 k = 0.3339 0.1928 0.5453 ( 1131 PWs) bands (ev): -68.4596 -68.4596 -36.9270 -36.9218 -24.8972 -24.8664 -24.8137 -24.8034 5.8260 6.1074 10.9976 11.0681 12.5709 12.9035 13.0374 13.2336 14.6389 15.0543 16.1391 16.5697 18.7911 18.9049 20.1097 20.7423 21.5769 21.9662 28.1856 28.2281 k = 0.3288 0.1898 0.5369 ( 1135 PWs) bands (ev): -68.4597 -68.4597 -36.9266 -36.9214 -24.8965 -24.8658 -24.8123 -24.8021 5.8082 6.0889 11.0448 11.1151 12.4745 12.7916 12.9897 13.1823 14.7315 15.1485 16.1039 16.5291 18.8301 18.9715 20.1138 20.7352 21.6769 22.0701 28.1276 28.1691 k = 0.3236 0.1868 0.5285 ( 1131 PWs) bands (ev): -68.4597 -68.4597 -36.9262 -36.9210 -24.8957 -24.8651 -24.8107 -24.8006 5.7893 6.0687 11.0909 11.1607 12.3786 12.6790 12.9453 13.1321 14.8291 15.2468 16.0718 16.4902 18.8578 19.0301 20.1275 20.7319 21.7783 22.1740 28.0703 28.1115 k = 0.3185 0.1839 0.5201 ( 1131 PWs) bands (ev): -68.4598 -68.4598 -36.9258 -36.9206 -24.8948 -24.8644 -24.8090 -24.7990 5.7692 6.0467 11.1359 11.2046 12.2835 12.5676 12.9023 13.0830 14.9310 15.3472 16.0446 16.4531 18.8727 19.0790 20.1525 20.7345 21.8803 22.2776 28.0132 28.0550 k = 0.3134 0.1809 0.5117 ( 1131 PWs) bands (ev): -68.4599 -68.4599 -36.9253 -36.9202 -24.8938 -24.8638 -24.8071 -24.7973 5.7480 6.0230 11.1796 11.2467 12.1897 12.4582 12.8604 13.0349 15.0364 15.4462 16.0253 16.4187 18.8742 19.1168 20.1897 20.7452 21.9827 22.3808 27.9553 27.9988 k = 0.3082 0.1780 0.5033 ( 1131 PWs) bands (ev): -68.4600 -68.4600 -36.9248 -36.9197 -24.8927 -24.8631 -24.8051 -24.7956 5.7256 5.9974 11.2221 11.2871 12.0975 12.3514 12.8193 12.9876 15.1442 15.5374 16.0199 16.3876 18.8629 19.1426 20.2391 20.7656 22.0851 22.4835 27.8942 27.9386 k = 0.3031 0.1750 0.4949 ( 1131 PWs) bands (ev): -68.4601 -68.4601 -36.9243 -36.9193 -24.8915 -24.8624 -24.8030 -24.7937 5.7019 5.9700 11.2634 11.3254 12.0073 12.2476 12.7791 12.9413 15.2527 15.6104 16.0382 16.3609 18.8402 19.1562 20.3001 20.7968 22.1874 22.5857 27.8259 27.8588 k = 0.2979 0.1720 0.4865 ( 1131 PWs) bands (ev): -68.4602 -68.4602 -36.9237 -36.9188 -24.8901 -24.8616 -24.8008 -24.7919 5.6769 5.9407 11.3033 11.3616 11.9194 12.1469 12.7396 12.8957 15.3599 15.6549 16.0901 16.3404 18.8080 19.1581 20.3711 20.8389 22.2894 22.6870 27.7446 27.7510 k = 0.2928 0.1691 0.4782 ( 1131 PWs) bands (ev): -68.4604 -68.4604 -36.9231 -36.9182 -24.8886 -24.8607 -24.7985 -24.7899 5.6506 5.9096 11.3417 11.3953 11.8342 12.0500 12.7010 12.8510 15.4629 15.6706 16.1748 16.3282 18.7690 19.1495 20.4508 20.8916 22.3909 22.7876 27.6317 27.6473 k = 0.2877 0.1661 0.4698 ( 1131 PWs) bands (ev): -68.4605 -68.4605 -36.9225 -36.9177 -24.8870 -24.8598 -24.7962 -24.7879 5.6229 5.8765 11.3787 11.4261 11.7519 11.9574 12.6631 12.8069 15.5575 15.6670 16.2818 16.3278 18.7257 19.1322 20.5376 20.9540 22.4917 22.8872 27.5083 27.5372 k = 0.2825 0.1631 0.4614 ( 1123 PWs) bands (ev): -68.4606 -68.4606 -36.9218 -36.9171 -24.8852 -24.8587 -24.7937 -24.7858 5.5939 5.8416 11.4137 11.4531 11.6730 11.8702 12.6262 12.7636 15.6388 15.6532 16.3433 16.4008 18.6810 19.1085 20.6302 21.0249 22.5919 22.9857 27.3828 27.4187 k = 0.2774 0.1602 0.4530 ( 1127 PWs) bands (ev): -68.4607 -68.4607 -36.9211 -36.9165 -24.8834 -24.8575 -24.7913 -24.7837 5.5633 5.8048 11.4457 11.4742 11.5989 11.7901 12.5901 12.7209 15.6342 15.7019 16.3782 16.5245 18.6378 19.0810 20.7273 21.1028 22.6911 23.0829 27.2556 27.2952 k = 0.2723 0.1572 0.4446 ( 1123 PWs) bands (ev): -68.4609 -68.4609 -36.9203 -36.9158 -24.8813 -24.8562 -24.7887 -24.7815 5.5314 5.7662 11.4668 11.4852 11.5376 11.7219 12.5549 12.6788 15.6130 15.7449 16.4335 16.6477 18.5999 19.0526 20.8280 21.1865 22.7893 23.1790 27.1272 27.1685 k = 0.2671 0.1542 0.4362 ( 1125 PWs) bands (ev): -68.4610 -68.4610 -36.9196 -36.9151 -24.8791 -24.8548 -24.7862 -24.7793 5.4980 5.7256 11.4360 11.4773 11.5301 11.6741 12.5207 12.6374 15.5912 15.7691 16.5058 16.7655 18.5712 19.0259 20.9315 21.2747 22.8865 23.2736 26.9977 27.0394 k = 0.2620 0.1513 0.4278 ( 1125 PWs) bands (ev): -68.4612 -68.4612 -36.9188 -36.9145 -24.8767 -24.8533 -24.7837 -24.7771 5.4631 5.6833 11.3754 11.4436 11.5542 11.6538 12.4874 12.5965 15.5696 15.7790 16.5890 16.8729 18.5564 19.0042 21.0371 21.3665 22.9824 23.3667 26.8671 26.9086 k = 0.2568 0.1483 0.4194 ( 1125 PWs) bands (ev): -68.4613 -68.4613 -36.9179 -36.9137 -24.8742 -24.8516 -24.7811 -24.7749 5.4267 5.6392 11.3141 11.3916 11.5812 11.6534 12.4551 12.5561 15.5488 15.7792 16.6762 16.9649 18.5609 18.9907 21.1443 21.4608 23.0771 23.4581 26.7356 26.7765 k = 0.2517 0.1453 0.4110 ( 1125 PWs) bands (ev): -68.4615 -68.4615 -36.9171 -36.9130 -24.8716 -24.8497 -24.7785 -24.7727 5.3888 5.5933 11.2553 11.3326 11.6075 11.6617 12.4238 12.5163 15.5291 15.7733 16.7611 17.0364 18.5894 18.9887 21.2525 21.5570 23.1703 23.5478 26.6033 26.6434 k = 0.2466 0.1424 0.4027 ( 1125 PWs) bands (ev): -68.4617 -68.4617 -36.9162 -36.9122 -24.8687 -24.8477 -24.7759 -24.7704 5.3495 5.5458 11.1999 11.2726 11.6326 11.6724 12.3936 12.4770 15.5110 15.7639 16.8387 17.0843 18.6453 19.0013 21.3613 21.6543 23.2620 23.6357 26.4703 26.5093 k = 0.2414 0.1394 0.3943 ( 1125 PWs) bands (ev): -68.4619 -68.4619 -36.9152 -36.9114 -24.8657 -24.8456 -24.7733 -24.7681 5.3087 5.4966 11.1481 11.2143 11.6561 11.6830 12.3645 12.4382 15.4944 15.7528 16.9049 17.1080 18.7292 19.0314 21.4704 21.7520 23.3521 23.7216 26.3367 26.3746 k = 0.2363 0.1364 0.3859 ( 1135 PWs) bands (ev): -68.4621 -68.4621 -36.9143 -36.9106 -24.8626 -24.8433 -24.7708 -24.7659 5.2665 5.4459 11.0999 11.1586 11.6777 11.6923 12.3363 12.3998 15.4796 15.7408 16.9570 17.1096 18.8391 19.0810 21.5792 21.8496 23.4403 23.8054 26.2027 26.2394 k = 0.2312 0.1335 0.3775 ( 1131 PWs) bands (ev): -68.4622 -68.4622 -36.9133 -36.9098 -24.8593 -24.8409 -24.7682 -24.7637 5.2229 5.3938 11.0555 11.1064 11.6974 11.6998 12.3094 12.3620 15.4668 15.7292 16.9936 17.0930 18.9710 19.1512 21.6878 21.9469 23.5268 23.8871 26.0685 26.1038 k = 0.2260 0.1305 0.3691 ( 1131 PWs) bands (ev): -68.4624 -68.4624 -36.9123 -36.9089 -24.8559 -24.8383 -24.7657 -24.7614 5.1780 5.3402 11.0148 11.0576 11.7051 11.7152 12.2835 12.3247 15.4561 15.7182 17.0147 17.0625 19.1207 19.2415 21.7957 22.0432 23.6112 23.9666 25.9342 25.9680 k = 0.2209 0.1275 0.3607 ( 1131 PWs) bands (ev): -68.4626 -68.4626 -36.9113 -36.9080 -24.8523 -24.8355 -24.7631 -24.7592 5.1318 5.2854 10.9778 11.0127 11.7079 11.7308 12.2587 12.2880 15.4474 15.7083 17.0213 17.0220 19.2840 19.3505 21.9027 22.1383 23.6935 24.0437 25.8001 25.8323 k = 0.2158 0.1246 0.3523 ( 1131 PWs) bands (ev): -68.4628 -68.4628 -36.9102 -36.9071 -24.8486 -24.8327 -24.7606 -24.7569 5.0843 5.2295 10.9446 10.9715 11.7082 11.7442 12.2349 12.2517 15.4408 15.6997 16.9748 17.0154 19.4576 19.4762 22.0086 22.2317 23.7735 24.1183 25.6665 25.6968 k = 0.2106 0.1216 0.3439 ( 1127 PWs) bands (ev): -68.4630 -68.4630 -36.9091 -36.9062 -24.8447 -24.8296 -24.7581 -24.7547 5.0357 5.1724 10.9150 10.9343 11.7059 11.7552 12.2119 12.2161 15.4364 15.6928 16.9233 16.9992 19.6160 19.6387 22.1131 22.3231 23.8511 24.1903 25.5337 25.5617 k = 0.2055 0.1186 0.3355 ( 1127 PWs) bands (ev): -68.4632 -68.4632 -36.9080 -36.9053 -24.8407 -24.8264 -24.7557 -24.7525 4.9861 5.1145 10.8889 10.9008 11.7012 11.7638 12.1810 12.1896 15.4342 15.6875 16.8695 16.9750 19.7675 19.8251 22.2161 22.4122 23.9260 24.2597 25.4022 25.4275 k = 0.2003 0.1157 0.3272 ( 1131 PWs) bands (ev): -68.4635 -68.4635 -36.9070 -36.9043 -24.8366 -24.8232 -24.7533 -24.7503 4.9355 5.0557 10.8664 10.8712 11.6940 11.7699 12.1465 12.1679 15.4342 15.6839 16.8147 16.9449 19.9281 20.0150 22.3172 22.4985 23.9978 24.3262 25.2725 25.2944 k = 0.1952 0.1127 0.3188 ( 1123 PWs) bands (ev): -68.4636 -68.4636 -36.9058 -36.9033 -24.8324 -24.8197 -24.7509 -24.7482 4.8840 4.9962 10.8455 10.8474 11.6847 11.7733 12.1128 12.1467 15.4364 15.6823 16.7603 16.9107 20.0959 20.2068 22.4167 22.5819 24.0664 24.3898 25.1454 25.1628 k = 0.1901 0.1097 0.3104 ( 1123 PWs) bands (ev): -68.4639 -68.4639 -36.9047 -36.9023 -24.8281 -24.8162 -24.7486 -24.7461 4.8317 4.9362 10.8234 10.8317 11.6732 11.7741 12.0799 12.1256 15.4408 15.6826 16.7068 16.8737 20.2688 20.3990 22.5141 22.6619 24.1310 24.4504 25.0218 25.0333 k = 0.1849 0.1068 0.3020 ( 1127 PWs) bands (ev): -68.4641 -68.4641 -36.9036 -36.9013 -24.8237 -24.8126 -24.7463 -24.7440 4.7788 4.8758 10.8049 10.8193 11.6600 11.7720 12.0478 12.1045 15.4472 15.6848 16.6548 16.8351 20.4451 20.5902 22.6093 22.7378 24.1909 24.5076 24.9034 24.9065 k = 0.1798 0.1038 0.2936 ( 1127 PWs) bands (ev): -68.4643 -68.4643 -36.9024 -36.9003 -24.8193 -24.8088 -24.7441 -24.7420 4.7254 4.8150 10.7900 10.8099 11.6451 11.7672 12.0167 12.0832 15.4559 15.6889 16.6050 16.7960 20.6233 20.7790 22.7025 22.8094 24.2441 24.5608 24.7837 24.7928 k = 0.1747 0.1008 0.2852 ( 1127 PWs) bands (ev): -68.4645 -68.4645 -36.9013 -36.8993 -24.8147 -24.8050 -24.7419 -24.7400 4.6715 4.7542 10.7785 10.8036 11.6288 11.7595 11.9865 12.0615 15.4666 15.6950 16.5577 16.7570 20.8016 20.9638 22.7935 22.8758 24.2867 24.6032 24.6725 24.6949 k = 0.1695 0.0979 0.2768 ( 1127 PWs) bands (ev): -68.4648 -68.4648 -36.9001 -36.8983 -24.8101 -24.8011 -24.7398 -24.7380 4.6173 4.6934 10.7703 10.8001 11.6114 11.7490 11.9575 12.0394 15.4793 15.7029 16.5131 16.7188 20.9787 21.1431 22.8823 22.9362 24.3100 24.5395 24.6199 24.6691 k = 0.1644 0.0949 0.2684 ( 1127 PWs) bands (ev): -68.4650 -68.4650 -36.8990 -36.8973 -24.8055 -24.7971 -24.7377 -24.7361 4.5630 4.6327 10.7652 10.7994 11.5930 11.7357 11.9295 12.0167 15.4939 15.7127 16.4715 16.6819 21.1528 21.3147 22.9691 22.9898 24.3008 24.4335 24.5827 24.7108 k = 0.1592 0.0919 0.2600 ( 1127 PWs) bands (ev): -68.4652 -68.4652 -36.8978 -36.8963 -24.8008 -24.7931 -24.7357 -24.7342 4.5087 4.5723 10.7632 10.8013 11.5738 11.7200 11.9025 11.9934 15.5105 15.7242 16.4328 16.6464 21.3221 21.4766 23.0355 23.0539 24.2599 24.3329 24.5844 24.7512 k = 0.1541 0.0890 0.2517 ( 1131 PWs) bands (ev): -68.4654 -68.4654 -36.8967 -36.8953 -24.7961 -24.7890 -24.7337 -24.7324 4.4545 4.5123 10.7640 10.8056 11.5540 11.7019 11.8764 11.9693 15.5287 15.7373 16.3973 16.6128 21.4844 21.6260 23.0725 23.1371 24.2070 24.2414 24.6075 24.7885 k = 0.1490 0.0860 0.2433 ( 1133 PWs) bands (ev): -68.4657 -68.4657 -36.8956 -36.8942 -24.7914 -24.7849 -24.7318 -24.7306 4.4005 4.4529 10.7675 10.8122 11.5338 11.6818 11.8512 11.9446 15.5487 15.7522 16.3649 16.5811 21.6370 21.7600 23.1007 23.2192 24.1579 24.1610 24.6385 24.8224 k = 0.1438 0.0830 0.2349 ( 1133 PWs) bands (ev): -68.4659 -68.4659 -36.8944 -36.8932 -24.7867 -24.7807 -24.7300 -24.7289 4.3469 4.3941 10.7736 10.8208 11.5134 11.6601 11.8265 11.9192 15.5703 15.7685 16.3356 16.5514 21.7765 21.8753 23.1214 23.3010 24.0941 24.1204 24.6713 24.8528 k = 0.1387 0.0801 0.2265 ( 1133 PWs) bands (ev): -68.4661 -68.4661 -36.8933 -36.8922 -24.7820 -24.7766 -24.7282 -24.7272 4.2938 4.3362 10.7820 10.8315 11.4928 11.6371 11.8023 11.8932 15.5934 15.7862 16.3093 16.5237 21.8983 21.9685 23.1380 23.3832 24.0426 24.0974 24.7035 24.8796 k = 0.1336 0.0771 0.2181 ( 1133 PWs) bands (ev): -68.4663 -68.4663 -36.8922 -36.8912 -24.7773 -24.7724 -24.7264 -24.7255 4.2413 4.2793 10.7926 10.8439 11.4722 11.6131 11.7784 11.8668 15.6178 15.8051 16.2860 16.4982 21.9972 22.0371 23.1565 23.4667 24.0079 24.0889 24.7337 24.9029 k = 0.1284 0.0741 0.2097 ( 1141 PWs) bands (ev): -68.4666 -68.4666 -36.8912 -36.8903 -24.7727 -24.7683 -24.7248 -24.7240 4.1896 4.2234 10.8052 10.8578 11.4516 11.5885 11.7547 11.8399 15.6435 15.8252 16.2652 16.4745 22.0677 22.0796 23.1840 23.5523 23.9901 24.0934 24.7616 24.9225 k = 0.1233 0.0712 0.2013 ( 1151 PWs) bands (ev): -68.4668 -68.4668 -36.8901 -36.8893 -24.7681 -24.7642 -24.7232 -24.7225 4.1388 4.1688 10.8196 10.8731 11.4312 11.5635 11.7313 11.8128 15.6701 15.8462 16.2473 16.4528 22.0965 22.1065 23.2263 23.6401 23.9884 24.1084 24.7867 24.9385 k = 0.1182 0.0682 0.1929 ( 1139 PWs) bands (ev): -68.4670 -68.4670 -36.8891 -36.8883 -24.7636 -24.7601 -24.7216 -24.7210 4.0890 4.1154 10.8356 10.8896 11.4112 11.5385 11.7082 11.7857 15.6980 15.8683 16.2321 16.4332 22.0902 22.1139 23.2858 23.7296 24.0010 24.1313 24.8094 24.9513 k = 0.1130 0.0652 0.1846 ( 1139 PWs) bands (ev): -68.4672 -68.4672 -36.8880 -36.8874 -24.7591 -24.7561 -24.7201 -24.7196 4.0404 4.0636 10.8530 10.9071 11.3915 11.5134 11.6853 11.7585 15.7265 15.8910 16.2191 16.4153 22.0640 22.0942 23.3603 23.8194 24.0253 24.1596 24.8291 24.9607 k = 0.1079 0.0623 0.1762 ( 1141 PWs) bands (ev): -68.4674 -68.4674 -36.8871 -36.8865 -24.7548 -24.7521 -24.7187 -24.7182 3.9931 4.0132 10.8715 10.9254 11.3722 11.4885 11.6627 11.7316 15.7557 15.9142 16.2084 16.3990 22.0221 22.0534 23.4457 23.9073 24.0594 24.1913 24.8462 24.9668 k = 0.1027 0.0593 0.1678 ( 1141 PWs) bands (ev): -68.4675 -68.4675 -36.8861 -36.8856 -24.7506 -24.7482 -24.7173 -24.7169 3.9471 3.9645 10.8910 10.9443 11.3533 11.4639 11.6407 11.7050 15.7855 15.9378 16.1997 16.3842 21.9682 21.9978 23.5372 23.9900 24.1026 24.2249 24.8607 24.9698 k = 0.0976 0.0564 0.1594 ( 1141 PWs) bands (ev): -68.4677 -68.4677 -36.8852 -36.8848 -24.7465 -24.7444 -24.7160 -24.7157 3.9026 3.9175 10.9112 10.9634 11.3350 11.4397 11.6194 11.6791 15.8155 15.9617 16.1928 16.3709 21.9059 21.9322 23.6313 24.0635 24.1557 24.2593 24.8729 24.9701 k = 0.0925 0.0534 0.1510 ( 1141 PWs) bands (ev): -68.4679 -68.4679 -36.8843 -36.8839 -24.7425 -24.7407 -24.7148 -24.7145 3.8597 3.8724 10.9320 10.9827 11.3173 11.4161 11.5988 11.6538 15.8458 15.9856 16.1877 16.3588 21.8379 21.8605 23.7251 24.1254 24.2183 24.2935 24.8829 24.9678 k = 0.0873 0.0504 0.1426 ( 1139 PWs) bands (ev): -68.4681 -68.4681 -36.8834 -36.8831 -24.7386 -24.7371 -24.7136 -24.7133 3.8186 3.8292 10.9529 11.0019 11.3003 11.3930 11.5792 11.6294 15.8761 16.0094 16.1841 16.3478 21.7665 21.7855 23.8168 24.1785 24.2856 24.3267 24.8910 24.9634 k = 0.0822 0.0475 0.1342 ( 1139 PWs) bands (ev): -68.4682 -68.4682 -36.8826 -36.8824 -24.7349 -24.7337 -24.7125 -24.7123 3.7792 3.7881 10.9739 11.0207 11.2840 11.3706 11.5606 11.6061 15.9062 16.0328 16.1819 16.3379 21.6936 21.7092 23.9051 24.2266 24.3521 24.3585 24.8975 24.9570 k = 0.0771 0.0445 0.1258 ( 1135 PWs) bands (ev): -68.4684 -68.4684 -36.8818 -36.8816 -24.7314 -24.7303 -24.7114 -24.7113 3.7417 3.7490 10.9947 11.0390 11.2685 11.3490 11.5434 11.5841 15.9359 16.0557 16.1810 16.3288 21.6205 21.6332 23.9894 24.2718 24.3884 24.4147 24.9026 24.9493 k = 0.0719 0.0415 0.1174 ( 1135 PWs) bands (ev): -68.4685 -68.4685 -36.8811 -36.8809 -24.7280 -24.7272 -24.7105 -24.7103 3.7062 3.7122 11.0150 11.0565 11.2537 11.3283 11.5274 11.5634 15.9651 16.0779 16.1811 16.3205 21.5484 21.5586 24.0689 24.3146 24.4161 24.4719 24.9066 24.9406 k = 0.0668 0.0386 0.1091 ( 1139 PWs) bands (ev): -68.4687 -68.4687 -36.8804 -36.8803 -24.7248 -24.7242 -24.7096 -24.7095 3.6728 3.6775 11.0345 11.0729 11.2398 11.3084 11.5130 11.5442 15.9935 16.0993 16.1821 16.3128 21.4783 21.4863 24.1434 24.3552 24.4415 24.5226 24.9097 24.9315 k = 0.0616 0.0356 0.1007 ( 1139 PWs) bands (ev): -68.4688 -68.4688 -36.8798 -36.8796 -24.7219 -24.7213 -24.7088 -24.7087 3.6415 3.6452 11.0531 11.0882 11.2269 11.2895 11.5001 11.5267 16.0211 16.1196 16.1840 16.3056 21.4110 21.4172 24.2128 24.3936 24.4646 24.5666 24.9123 24.9229 k = 0.0565 0.0326 0.0923 ( 1129 PWs) bands (ev): -68.4689 -68.4689 -36.8791 -36.8790 -24.7190 -24.7186 -24.7080 -24.7079 3.6124 3.6153 11.0706 11.1021 11.2150 11.2717 11.4889 11.5111 16.0478 16.1388 16.1867 16.2990 21.3471 21.3518 24.2769 24.4295 24.4853 24.6032 24.9146 24.9155 k = 0.0514 0.0297 0.0839 ( 1129 PWs) bands (ev): -68.4690 -68.4690 -36.8786 -36.8785 -24.7165 -24.7162 -24.7073 -24.7072 3.5856 3.5878 11.0866 11.1144 11.2040 11.2550 11.4794 11.4973 16.0731 16.1566 16.1899 16.2926 21.2871 21.2906 24.3356 24.4628 24.5038 24.6319 24.9102 24.9168 k = 0.0462 0.0267 0.0755 ( 1133 PWs) bands (ev): -68.4691 -68.4691 -36.8781 -36.8780 -24.7142 -24.7139 -24.7067 -24.7066 3.5612 3.5628 11.1011 11.1252 11.1941 11.2394 11.4714 11.4854 16.0969 16.1727 16.1936 16.2865 21.2316 21.2341 24.3888 24.4933 24.5202 24.6525 24.9077 24.9190 k = 0.0411 0.0237 0.0671 ( 1125 PWs) bands (ev): -68.4692 -68.4692 -36.8776 -36.8776 -24.7120 -24.7118 -24.7061 -24.7060 3.5392 3.5403 11.1140 11.1344 11.1853 11.2251 11.4650 11.4755 16.1193 16.1873 16.1977 16.2807 21.1809 21.1827 24.4366 24.5210 24.5349 24.6653 24.9084 24.9214 k = 0.0360 0.0208 0.0587 ( 1131 PWs) bands (ev): -68.4693 -68.4693 -36.8772 -36.8772 -24.7102 -24.7100 -24.7056 -24.7056 3.5196 3.5203 11.1250 11.1419 11.1776 11.2121 11.4600 11.4674 16.1398 16.1998 16.2021 16.2749 21.1354 21.1366 24.4787 24.5455 24.5481 24.6710 24.9117 24.9239 k = 0.0308 0.0178 0.0503 ( 1125 PWs) bands (ev): -68.4693 -68.4693 -36.8769 -36.8768 -24.7085 -24.7084 -24.7052 -24.7052 3.5025 3.5030 11.1343 11.1480 11.1713 11.2005 11.4562 11.4611 16.1586 16.2069 16.2106 16.2692 21.0954 21.0962 24.5152 24.5601 24.5670 24.6711 24.9170 24.9268 k = 0.0257 0.0148 0.0419 ( 1133 PWs) bands (ev): -68.4694 -68.4694 -36.8766 -36.8766 -24.7071 -24.7071 -24.7048 -24.7048 3.4880 3.4883 11.1418 11.1526 11.1661 11.1901 11.4535 11.4564 16.1753 16.2116 16.2191 16.2635 21.0611 21.0615 24.5460 24.5712 24.5851 24.6669 24.9230 24.9297 k = 0.0205 0.0119 0.0336 ( 1139 PWs) bands (ev): -68.4695 -68.4695 -36.8764 -36.8764 -24.7061 -24.7060 -24.7045 -24.7045 3.4761 3.4762 11.1478 11.1560 11.1622 11.1812 11.4515 11.4530 16.1901 16.2164 16.2257 16.2577 21.0328 21.0330 24.5711 24.5819 24.5997 24.6599 24.9288 24.9327 k = 0.0154 0.0089 0.0252 ( 1139 PWs) bands (ev): -68.4695 -68.4695 -36.8762 -36.8762 -24.7052 -24.7052 -24.7043 -24.7043 3.4668 3.4668 11.1524 11.1584 11.1597 11.1737 11.4501 11.4508 16.2031 16.2211 16.2302 16.2518 21.0106 21.0106 24.5895 24.5936 24.6109 24.6513 24.9337 24.9355 k = 0.0103 0.0059 0.0168 ( 1139 PWs) bands (ev): -68.4695 -68.4695 -36.8760 -36.8760 -24.7045 -24.7045 -24.7042 -24.7042 3.4601 3.4601 11.1557 11.1586 11.1597 11.1677 11.4493 11.4495 16.2142 16.2255 16.2327 16.2456 20.9946 20.9946 24.6010 24.6069 24.6184 24.6416 24.9373 24.9379 k = 0.0051 0.0030 0.0084 ( 1139 PWs) bands (ev): -68.4696 -68.4696 -36.8760 -36.8760 -24.7042 -24.7042 -24.7041 -24.7041 3.4561 3.4561 11.1578 11.1590 11.1602 11.1631 11.4488 11.4488 16.2237 16.2292 16.2331 16.2391 20.9849 20.9849 24.6112 24.6164 24.6220 24.6316 24.9394 24.9395 k = 0.0000 0.0000 0.0000 ( 1139 PWs) bands (ev): -68.4696 -68.4696 -36.8759 -36.8759 -24.7040 -24.7040 -24.7040 -24.7040 3.4547 3.4547 11.1599 11.1599 11.1599 11.1599 11.4486 11.4486 16.2319 16.2319 16.2319 16.2319 20.9817 20.9817 24.6214 24.6214 24.6214 24.6214 24.9401 24.9401 k = 0.0000 0.0000 0.0000 ( 1139 PWs) bands (ev): -68.4696 -68.4696 -36.8759 -36.8759 -24.7040 -24.7040 -24.7040 -24.7040 3.4547 3.4547 11.1599 11.1599 11.1599 11.1599 11.4486 11.4486 16.2319 16.2319 16.2319 16.2319 20.9817 20.9817 24.6214 24.6214 24.6214 24.6214 24.9401 24.9401 k = 0.0083 0.0048 0.0034 ( 1139 PWs) bands (ev): -68.4696 -68.4696 -36.8760 -36.8760 -24.7042 -24.7042 -24.7041 -24.7041 3.4560 3.4560 11.1580 11.1595 11.1595 11.1632 11.4488 11.4488 16.2236 16.2311 16.2311 16.2393 20.9849 20.9849 24.6111 24.6191 24.6191 24.6321 24.9395 24.9395 k = 0.0167 0.0096 0.0068 ( 1139 PWs) bands (ev): -68.4695 -68.4695 -36.8760 -36.8760 -24.7045 -24.7045 -24.7041 -24.7041 3.4600 3.4600 11.1573 11.1583 11.1583 11.1678 11.4494 11.4494 16.2144 16.2290 16.2290 16.2457 20.9944 20.9944 24.6011 24.6120 24.6120 24.6430 24.9376 24.9376 k = 0.0250 0.0144 0.0102 ( 1139 PWs) bands (ev): -68.4695 -68.4695 -36.8762 -36.8762 -24.7052 -24.7052 -24.7043 -24.7043 3.4666 3.4666 11.1562 11.1562 11.1580 11.1738 11.4504 11.4504 16.2044 16.2254 16.2254 16.2513 21.0102 21.0102 24.5915 24.6000 24.6000 24.6542 24.9347 24.9347 k = 0.0333 0.0192 0.0136 ( 1139 PWs) bands (ev): -68.4695 -68.4695 -36.8764 -36.8764 -24.7061 -24.7061 -24.7045 -24.7045 3.4759 3.4759 11.1532 11.1532 11.1600 11.1810 11.4521 11.4521 16.1936 16.2204 16.2204 16.2560 21.0322 21.0322 24.5822 24.5828 24.5828 24.6656 24.9310 24.9310 k = 0.0417 0.0241 0.0170 ( 1133 PWs) bands (ev): -68.4694 -68.4694 -36.8766 -36.8766 -24.7072 -24.7072 -24.7047 -24.7047 3.4877 3.4877 11.1491 11.1491 11.1633 11.1895 11.4545 11.4545 16.1821 16.2142 16.2142 16.2598 21.0602 21.0602 24.5604 24.5604 24.5731 24.6770 24.9267 24.9267 k = 0.0500 0.0289 0.0204 ( 1121 PWs) bands (ev): -68.4693 -68.4693 -36.8768 -36.8768 -24.7085 -24.7085 -24.7049 -24.7049 3.5021 3.5021 11.1438 11.1438 11.1679 11.1994 11.4580 11.4580 16.1701 16.2069 16.2069 16.2631 21.0940 21.0940 24.5323 24.5323 24.5641 24.6882 24.9220 24.9220 k = 0.0583 0.0337 0.0238 ( 1124 PWs) bands (ev): -68.4692 -68.4692 -36.8772 -36.8772 -24.7102 -24.7102 -24.7053 -24.7053 3.5191 3.5191 11.1371 11.1371 11.1737 11.2103 11.4625 11.4625 16.1574 16.1982 16.1982 16.2654 21.1335 21.1335 24.4984 24.4984 24.5550 24.6991 24.9169 24.9169 k = 0.0667 0.0385 0.0272 ( 1130 PWs) bands (ev): -68.4692 -68.4692 -36.8776 -36.8776 -24.7122 -24.7122 -24.7057 -24.7057 3.5385 3.5385 11.1289 11.1289 11.1807 11.2225 11.4683 11.4683 16.1442 16.1884 16.1884 16.2670 21.1782 21.1782 24.4589 24.4589 24.5456 24.7094 24.9114 24.9114 k = 0.0750 0.0433 0.0306 ( 1130 PWs) bands (ev): -68.4691 -68.4691 -36.8780 -36.8780 -24.7143 -24.7143 -24.7062 -24.7062 3.5604 3.5604 11.1194 11.1194 11.1888 11.2357 11.4755 11.4755 16.1308 16.1778 16.1778 16.2681 21.2280 21.2280 24.4138 24.4138 24.5359 24.7189 24.9054 24.9054 k = 0.0833 0.0481 0.0340 ( 1131 PWs) bands (ev): -68.4690 -68.4690 -36.8785 -36.8785 -24.7167 -24.7167 -24.7067 -24.7067 3.5848 3.5848 11.1085 11.1085 11.1981 11.2501 11.4842 11.4842 16.1171 16.1663 16.1663 16.2688 21.2823 21.2823 24.3635 24.3635 24.5256 24.7274 24.8987 24.8987 k = 0.0917 0.0529 0.0374 ( 1134 PWs) bands (ev): -68.4689 -68.4689 -36.8791 -36.8791 -24.7193 -24.7193 -24.7072 -24.7072 3.6115 3.6115 11.0963 11.0963 11.2085 11.2655 11.4945 11.4945 16.1034 16.1541 16.1541 16.2691 21.3407 21.3407 24.3083 24.3083 24.5144 24.7345 24.8910 24.8910 k = 0.1000 0.0577 0.0408 ( 1134 PWs) bands (ev): -68.4688 -68.4688 -36.8796 -36.8796 -24.7221 -24.7221 -24.7078 -24.7078 3.6405 3.6405 11.0828 11.0828 11.2198 11.2818 11.5064 11.5064 16.0897 16.1414 16.1414 16.2692 21.4026 21.4026 24.2486 24.2486 24.5022 24.7401 24.8819 24.8819 k = 0.1083 0.0625 0.0442 ( 1137 PWs) bands (ev): -68.4687 -68.4687 -36.8803 -36.8803 -24.7252 -24.7252 -24.7085 -24.7085 3.6717 3.6717 11.0682 11.0682 11.2321 11.2990 11.5197 11.5197 16.0762 16.1282 16.1282 16.2691 21.4673 21.4673 24.1851 24.1851 24.4887 24.7438 24.8711 24.8711 k = 0.1167 0.0674 0.0476 ( 1137 PWs) bands (ev): -68.4685 -68.4685 -36.8809 -36.8809 -24.7284 -24.7284 -24.7092 -24.7092 3.7051 3.7051 11.0528 11.0528 11.2453 11.3170 11.5344 11.5344 16.0632 16.1148 16.1148 16.2692 21.5339 21.5339 24.1186 24.1186 24.4736 24.7453 24.8583 24.8583 k = 0.1250 0.0722 0.0510 ( 1137 PWs) bands (ev): -68.4684 -68.4684 -36.8816 -36.8816 -24.7318 -24.7318 -24.7099 -24.7099 3.7405 3.7405 11.0366 11.0366 11.2593 11.3358 11.5505 11.5505 16.0508 16.1014 16.1014 16.2695 21.6014 21.6014 24.0499 24.0499 24.4567 24.7443 24.8430 24.8430 k = 0.1333 0.0770 0.0544 ( 1137 PWs) bands (ev): -68.4682 -68.4682 -36.8824 -36.8824 -24.7354 -24.7354 -24.7107 -24.7107 3.7779 3.7779 11.0200 11.0200 11.2741 11.3551 11.5679 11.5679 16.0391 16.0880 16.0880 16.2700 21.6683 21.6683 23.9802 23.9802 24.4377 24.7405 24.8251 24.8251 k = 0.1417 0.0818 0.0578 ( 1131 PWs) bands (ev): -68.4681 -68.4681 -36.8831 -36.8831 -24.7391 -24.7391 -24.7114 -24.7114 3.8172 3.8172 11.0031 11.0031 11.2896 11.3751 11.5864 11.5864 16.0284 16.0750 16.0750 16.2712 21.7331 21.7331 23.9110 23.9110 24.4165 24.7336 24.8041 24.8041 k = 0.1500 0.0866 0.0612 ( 1137 PWs) bands (ev): -68.4679 -68.4679 -36.8840 -36.8840 -24.7430 -24.7430 -24.7123 -24.7123 3.8583 3.8583 10.9862 10.9862 11.3056 11.3955 11.6059 11.6059 16.0186 16.0623 16.0623 16.2728 21.7937 21.7937 23.8441 23.8441 24.3927 24.7233 24.7797 24.7797 k = 0.1583 0.0914 0.0646 ( 1137 PWs) bands (ev): -68.4677 -68.4677 -36.8848 -36.8848 -24.7471 -24.7471 -24.7132 -24.7132 3.9011 3.9011 10.9695 10.9695 11.3221 11.4162 11.6262 11.6262 16.0102 16.0503 16.0503 16.2753 21.8476 21.8476 23.7817 23.7817 24.3662 24.7095 24.7518 24.7518 k = 0.1667 0.0962 0.0680 ( 1137 PWs) bands (ev): -68.4676 -68.4676 -36.8857 -36.8857 -24.7513 -24.7513 -24.7141 -24.7141 3.9454 3.9454 10.9532 10.9532 11.3391 11.4372 11.6474 11.6474 16.0032 16.0391 16.0391 16.2788 21.8917 21.8917 23.7266 23.7266 24.3367 24.6917 24.7202 24.7202 k = 0.1750 0.1010 0.0714 ( 1137 PWs) bands (ev): -68.4674 -68.4674 -36.8866 -36.8866 -24.7556 -24.7556 -24.7150 -24.7150 3.9912 3.9912 10.9376 10.9376 11.3564 11.4584 11.6692 11.6692 15.9978 16.0288 16.0288 16.2834 21.9226 21.9226 23.6818 23.6818 24.3040 24.6699 24.6846 24.6846 k = 0.1833 0.1058 0.0748 ( 1128 PWs) bands (ev): -68.4672 -68.4672 -36.8875 -36.8875 -24.7600 -24.7600 -24.7159 -24.7159 4.0383 4.0383 10.9229 10.9229 11.3740 11.4796 11.6915 11.6915 15.9942 16.0198 16.0198 16.2892 21.9370 21.9370 23.6508 23.6508 24.2681 24.6438 24.6451 24.6451 k = 0.1917 0.1107 0.0782 ( 1128 PWs) bands (ev): -68.4670 -68.4670 -36.8884 -36.8884 -24.7645 -24.7645 -24.7169 -24.7169 4.0866 4.0866 10.9091 10.9091 11.3918 11.5007 11.7142 11.7142 15.9925 16.0119 16.0119 16.2964 21.9316 21.9316 23.6355 23.6355 24.2287 24.6015 24.6015 24.6133 k = 0.2000 0.1155 0.0816 ( 1134 PWs) bands (ev): -68.4668 -68.4668 -36.8894 -36.8894 -24.7692 -24.7692 -24.7179 -24.7179 4.1359 4.1359 10.8967 10.8967 11.4096 11.5216 11.7371 11.7371 15.9928 16.0055 16.0055 16.3050 21.9047 21.9047 23.6377 23.6377 24.1858 24.5539 24.5539 24.5783 k = 0.2083 0.1203 0.0851 ( 1128 PWs) bands (ev): -68.4666 -68.4666 -36.8904 -36.8904 -24.7738 -24.7738 -24.7189 -24.7189 4.1862 4.1862 10.8858 10.8858 11.4275 11.5423 11.7602 11.7602 15.9954 16.0008 16.0008 16.3154 21.8560 21.8560 23.6571 23.6571 24.1394 24.5026 24.5026 24.5387 k = 0.2167 0.1251 0.0885 ( 1128 PWs) bands (ev): -68.4664 -68.4664 -36.8913 -36.8913 -24.7786 -24.7786 -24.7199 -24.7199 4.2371 4.2371 10.8765 10.8765 11.4453 11.5626 11.7833 11.7833 15.9977 15.9977 16.0004 16.3274 21.7865 21.7865 23.6917 23.6917 24.0893 24.4478 24.4478 24.4944 k = 0.2250 0.1299 0.0919 ( 1128 PWs) bands (ev): -68.4662 -68.4662 -36.8924 -36.8924 -24.7834 -24.7834 -24.7210 -24.7210 4.2887 4.2887 10.8690 10.8690 11.4630 11.5824 11.8063 11.8063 15.9965 15.9965 16.0078 16.3412 21.6983 21.6983 23.7384 23.7384 24.0356 24.3900 24.3900 24.4456 k = 0.2333 0.1347 0.0953 ( 1125 PWs) bands (ev): -68.4660 -68.4660 -36.8934 -36.8934 -24.7882 -24.7882 -24.7220 -24.7220 4.3407 4.3407 10.8635 10.8635 11.4805 11.6017 11.8291 11.8291 15.9973 15.9973 16.0179 16.3570 21.5942 21.5942 23.7928 23.7928 23.9784 24.3306 24.3306 24.3921 k = 0.2417 0.1395 0.0987 ( 1125 PWs) bands (ev): -68.4657 -68.4657 -36.8944 -36.8944 -24.7931 -24.7931 -24.7231 -24.7231 4.3930 4.3930 10.8602 10.8602 11.4977 11.6203 11.8516 11.8516 16.0001 16.0001 16.0306 16.3746 21.4766 21.4766 23.8494 23.8494 23.9177 24.2720 24.2720 24.3342 k = 0.2500 0.1443 0.1021 ( 1122 PWs) bands (ev): -68.4655 -68.4655 -36.8954 -36.8954 -24.7979 -24.7979 -24.7241 -24.7241 4.4454 4.4454 10.8592 10.8592 11.5145 11.6382 11.8737 11.8737 16.0051 16.0051 16.0461 16.3944 21.3479 21.3479 23.8537 23.8992 23.8992 24.2201 24.2201 24.2719 k = 0.2583 0.1491 0.1055 ( 1128 PWs) bands (ev): -68.4653 -68.4653 -36.8964 -36.8964 -24.8028 -24.8028 -24.7252 -24.7252 4.4977 4.4977 10.8606 10.8606 11.5309 11.6553 11.8952 11.8952 16.0123 16.0123 16.0643 16.4161 21.2101 21.2101 23.7864 23.9256 23.9256 24.1887 24.1887 24.2054 k = 0.2667 0.1540 0.1089 ( 1128 PWs) bands (ev): -68.4651 -68.4651 -36.8974 -36.8974 -24.8077 -24.8077 -24.7262 -24.7262 4.5498 4.5498 10.8646 10.8646 11.5469 11.6715 11.9162 11.9162 16.0216 16.0216 16.0854 16.4399 21.0651 21.0651 23.7161 23.9101 23.9101 24.1349 24.1943 24.1943 k = 0.2750 0.1588 0.1123 ( 1128 PWs) bands (ev): -68.4649 -68.4649 -36.8985 -36.8985 -24.8125 -24.8125 -24.7273 -24.7273 4.6014 4.6014 10.8712 10.8712 11.5623 11.6868 11.9365 11.9365 16.0332 16.0332 16.1094 16.4657 20.9144 20.9144 23.6431 23.8582 23.8582 24.0607 24.2291 24.2291 k = 0.2833 0.1636 0.1157 ( 1125 PWs) bands (ev): -68.4647 -68.4647 -36.8994 -36.8994 -24.8172 -24.8172 -24.7283 -24.7283 4.6526 4.6526 10.8806 10.8806 11.5773 11.7011 11.9560 11.9560 16.0471 16.0471 16.1362 16.4936 20.7592 20.7592 23.5674 23.7874 23.7874 23.9829 24.2740 24.2740 k = 0.2917 0.1684 0.1191 ( 1125 PWs) bands (ev): -68.4645 -68.4645 -36.9004 -36.9004 -24.8219 -24.8219 -24.7293 -24.7293 4.7030 4.7030 10.8927 10.8927 11.5916 11.7144 11.9748 11.9748 16.0631 16.0631 16.1658 16.5234 20.6006 20.6006 23.4895 23.7071 23.7071 23.9020 24.3182 24.3182 k = 0.3000 0.1732 0.1225 ( 1131 PWs) bands (ev): -68.4643 -68.4643 -36.9014 -36.9014 -24.8266 -24.8266 -24.7304 -24.7304 4.7524 4.7524 10.9075 10.9075 11.6054 11.7267 11.9927 11.9927 16.0812 16.0812 16.1981 16.5550 20.4396 20.4396 23.4096 23.6215 23.6215 23.8181 24.3570 24.3570 k = 0.3083 0.1780 0.1259 ( 1131 PWs) bands (ev): -68.4641 -68.4641 -36.9024 -36.9024 -24.8312 -24.8312 -24.7313 -24.7313 4.8009 4.8009 10.9252 10.9252 11.6185 11.7380 12.0097 12.0097 16.1014 16.1014 16.2331 16.5884 20.2773 20.2773 23.3280 23.5324 23.5324 23.7317 24.3881 24.3881 k = 0.3167 0.1828 0.1293 ( 1137 PWs) bands (ev): -68.4640 -68.4640 -36.9033 -36.9033 -24.8357 -24.8357 -24.7323 -24.7323 4.8481 4.8481 10.9456 10.9456 11.6311 11.7483 12.0257 12.0257 16.1234 16.1234 16.2707 16.6234 20.1143 20.1143 23.2452 23.4409 23.4409 23.6431 24.4108 24.4108 k = 0.3250 0.1876 0.1327 ( 1137 PWs) bands (ev): -68.4638 -68.4638 -36.9043 -36.9043 -24.8401 -24.8401 -24.7333 -24.7333 4.8940 4.8940 10.9687 10.9687 11.6430 11.7575 12.0409 12.0409 16.1471 16.1471 16.3107 16.6598 19.9518 19.9518 23.1614 23.3479 23.3479 23.5526 24.4252 24.4252 k = 0.3333 0.1925 0.1361 ( 1131 PWs) bands (ev): -68.4636 -68.4636 -36.9052 -36.9052 -24.8443 -24.8443 -24.7341 -24.7341 4.9384 4.9384 10.9945 10.9945 11.6543 11.7658 12.0552 12.0552 16.1724 16.1724 16.3531 16.6976 19.7903 19.7903 23.0772 23.2541 23.2541 23.4608 24.4318 24.4318 k = 0.3417 0.1973 0.1395 ( 1131 PWs) bands (ev): -68.4634 -68.4634 -36.9060 -36.9060 -24.8484 -24.8484 -24.7350 -24.7350 4.9812 4.9812 11.0227 11.0227 11.6649 11.7730 12.0685 12.0685 16.1989 16.1989 16.3974 16.7364 19.6307 19.6307 22.9929 23.1599 23.1599 23.3680 24.4315 24.4315 k = 0.3500 0.2021 0.1429 ( 1131 PWs) bands (ev): -68.4632 -68.4632 -36.9069 -36.9069 -24.8524 -24.8524 -24.7359 -24.7359 5.0223 5.0223 11.0533 11.0533 11.6750 11.7793 12.0809 12.0809 16.2264 16.2264 16.4436 16.7759 19.4737 19.4737 22.9090 23.0659 23.0659 23.2746 24.4253 24.4253 k = 0.3583 0.2069 0.1463 ( 1131 PWs) bands (ev): -68.4631 -68.4631 -36.9077 -36.9077 -24.8562 -24.8562 -24.7367 -24.7367 5.0615 5.0615 11.0859 11.0859 11.6845 11.7846 12.0924 12.0924 16.2545 16.2545 16.4913 16.8159 19.3202 19.3202 22.8260 22.9726 22.9726 23.1811 24.4145 24.4145 k = 0.3667 0.2117 0.1497 ( 1131 PWs) bands (ev): -68.4629 -68.4629 -36.9084 -36.9084 -24.8599 -24.8599 -24.7375 -24.7375 5.0989 5.0989 11.1203 11.1203 11.6934 11.7891 12.1030 12.1030 16.2829 16.2829 16.5404 16.8561 19.1708 19.1708 22.7444 22.8807 22.8807 23.0879 24.4002 24.4002 k = 0.3750 0.2165 0.1531 ( 1143 PWs) bands (ev): -68.4628 -68.4628 -36.9092 -36.9092 -24.8634 -24.8634 -24.7384 -24.7384 5.1342 5.1342 11.1562 11.1562 11.7016 11.7926 12.1127 12.1127 16.3113 16.3113 16.5905 16.8960 19.0262 19.0262 22.6645 22.7905 22.7905 22.9954 24.3832 24.3832 k = 0.3833 0.2213 0.1565 ( 1143 PWs) bands (ev): -68.4626 -68.4626 -36.9099 -36.9099 -24.8667 -24.8667 -24.7391 -24.7391 5.1674 5.1674 11.1932 11.1932 11.7094 11.7955 12.1217 12.1217 16.3391 16.3391 16.6413 16.9354 18.8876 18.8876 22.5872 22.7026 22.7026 22.9044 24.3645 24.3645 k = 0.3917 0.2261 0.1599 ( 1143 PWs) bands (ev): -68.4625 -68.4625 -36.9106 -36.9106 -24.8698 -24.8698 -24.7398 -24.7398 5.1986 5.1986 11.2310 11.2310 11.7168 11.7977 12.1300 12.1300 16.3661 16.3661 16.6924 16.9739 18.7554 18.7554 22.5129 22.6177 22.6177 22.8152 24.3448 24.3448 k = 0.4000 0.2309 0.1633 ( 1143 PWs) bands (ev): -68.4624 -68.4624 -36.9112 -36.9112 -24.8727 -24.8727 -24.7404 -24.7404 5.2275 5.2275 11.2691 11.2691 11.7237 11.7991 12.1377 12.1377 16.3917 16.3917 16.7435 17.0109 18.6306 18.6306 22.4421 22.5361 22.5361 22.7283 24.3248 24.3248 k = 0.4083 0.2358 0.1667 ( 1143 PWs) bands (ev): -68.4623 -68.4623 -36.9118 -36.9118 -24.8754 -24.8754 -24.7410 -24.7410 5.2542 5.2542 11.3070 11.3070 11.7302 11.8000 12.1446 12.1446 16.4154 16.4154 16.7940 17.0461 18.5139 18.5139 22.3756 22.4586 22.4586 22.6444 24.3049 24.3049 k = 0.4167 0.2406 0.1701 ( 1143 PWs) bands (ev): -68.4622 -68.4622 -36.9123 -36.9123 -24.8779 -24.8779 -24.7416 -24.7416 5.2786 5.2786 11.3443 11.3443 11.7363 11.8003 12.1510 12.1510 16.4370 16.4370 16.8437 17.0790 18.4060 18.4060 22.3136 22.3854 22.3854 22.5638 24.2858 24.2858 k = 0.4250 0.2454 0.1735 ( 1143 PWs) bands (ev): -68.4621 -68.4621 -36.9128 -36.9128 -24.8802 -24.8802 -24.7421 -24.7421 5.3007 5.3007 11.3802 11.3802 11.7420 11.8001 12.1567 12.1567 16.4561 16.4561 16.8920 17.1091 18.3076 18.3076 22.2570 22.3172 22.3172 22.4871 24.2676 24.2676 k = 0.4333 0.2502 0.1769 ( 1143 PWs) bands (ev): -68.4620 -68.4620 -36.9132 -36.9132 -24.8823 -24.8823 -24.7425 -24.7425 5.3205 5.3205 11.4144 11.4144 11.7474 11.7994 12.1620 12.1620 16.4724 16.4724 16.9385 17.1360 18.2192 18.2192 22.2061 22.2544 22.2544 22.4150 24.2506 24.2506 k = 0.4417 0.2550 0.1803 ( 1143 PWs) bands (ev): -68.4619 -68.4619 -36.9136 -36.9136 -24.8841 -24.8841 -24.7429 -24.7429 5.3380 5.3380 11.4462 11.4462 11.7525 11.7982 12.1666 12.1666 16.4858 16.4858 16.9828 17.1592 18.1413 18.1413 22.1617 22.1977 22.1977 22.3479 24.2352 24.2352 k = 0.4500 0.2598 0.1837 ( 1143 PWs) bands (ev): -68.4618 -68.4618 -36.9140 -36.9140 -24.8857 -24.8857 -24.7433 -24.7433 5.3532 5.3532 11.4751 11.4751 11.7574 11.7967 12.1708 12.1708 16.4964 16.4964 17.0242 17.1784 18.0741 18.0741 22.1240 22.1475 22.1475 22.2864 24.2216 24.2216 k = 0.4583 0.2646 0.1871 ( 1143 PWs) bands (ev): -68.4618 -68.4618 -36.9143 -36.9143 -24.8871 -24.8871 -24.7436 -24.7436 5.3661 5.3661 11.5005 11.5005 11.7619 11.7949 12.1743 12.1743 16.5042 16.5042 17.0625 17.1931 18.0177 18.0177 22.0937 22.1041 22.1041 22.2311 24.2098 24.2098 k = 0.4667 0.2694 0.1905 ( 1143 PWs) bands (ev): -68.4617 -68.4617 -36.9145 -36.9145 -24.8882 -24.8882 -24.7438 -24.7438 5.3766 5.3766 11.5220 11.5220 11.7663 11.7927 12.1774 12.1774 16.5098 16.5098 17.0970 17.2030 17.9721 17.9721 22.0681 22.0681 22.0710 22.1823 24.1999 24.1999 k = 0.4750 0.2742 0.1939 ( 1143 PWs) bands (ev): -68.4617 -68.4617 -36.9147 -36.9147 -24.8890 -24.8890 -24.7440 -24.7440 5.3847 5.3847 11.5392 11.5392 11.7703 11.7902 12.1797 12.1797 16.5134 16.5134 17.1275 17.2078 17.9371 17.9371 22.0396 22.0396 22.0563 22.1406 24.1922 24.1922 k = 0.4833 0.2791 0.1973 ( 1149 PWs) bands (ev): -68.4617 -68.4617 -36.9148 -36.9148 -24.8897 -24.8897 -24.7442 -24.7442 5.3906 5.3906 11.5517 11.5517 11.7742 11.7874 12.1815 12.1815 16.5155 16.5155 17.1534 17.2074 17.9123 17.9123 22.0191 22.0191 22.0498 22.1064 24.1867 24.1867 k = 0.4917 0.2839 0.2007 ( 1158 PWs) bands (ev): -68.4617 -68.4617 -36.9149 -36.9149 -24.8901 -24.8901 -24.7443 -24.7443 5.3940 5.3940 11.5592 11.5592 11.7778 11.7845 12.1825 12.1825 16.5165 16.5165 17.1745 17.2016 17.8975 17.8975 22.0067 22.0067 22.0515 22.0800 24.1833 24.1833 k = 0.5000 0.2887 0.2041 ( 1158 PWs) bands (ev): -68.4617 -68.4617 -36.9149 -36.9149 -24.8903 -24.8903 -24.7443 -24.7443 5.3952 5.3952 11.5617 11.5617 11.7812 11.7812 12.1829 12.1829 16.5168 16.5168 17.1907 17.1907 17.8926 17.8926 22.0026 22.0026 22.0616 22.0616 24.1822 24.1822 k = 0.5000 0.2887 0.2041 ( 1158 PWs) bands (ev): -68.4617 -68.4617 -36.9149 -36.9149 -24.8903 -24.8903 -24.7443 -24.7443 5.3952 5.3952 11.5617 11.5617 11.7812 11.7812 12.1829 12.1829 16.5168 16.5168 17.1907 17.1907 17.8926 17.8926 22.0026 22.0026 22.0616 22.0616 24.1822 24.1822 k = 0.5030 0.2801 0.2090 ( 1158 PWs) bands (ev): -68.4617 -68.4617 -36.9151 -36.9148 -24.8907 -24.8898 -24.7444 -24.7444 5.3906 5.4015 11.5597 11.5643 11.7814 11.7815 12.1812 12.1850 16.5044 16.5278 17.1903 17.1903 17.8758 17.9061 21.9943 22.0042 22.0643 22.0646 24.1855 24.1870 k = 0.5060 0.2715 0.2138 ( 1152 PWs) bands (ev): -68.4616 -68.4616 -36.9152 -36.9148 -24.8911 -24.8893 -24.7446 -24.7446 5.3878 5.4094 11.5582 11.5674 11.7819 11.7824 12.1802 12.1875 16.4905 16.5373 17.1892 17.1894 17.8557 17.9166 21.9812 22.0001 22.0708 22.0723 24.1969 24.1999 k = 0.5089 0.2629 0.2187 ( 1144 PWs) bands (ev): -68.4616 -68.4616 -36.9154 -36.9147 -24.8914 -24.8888 -24.7450 -24.7450 5.3866 5.4190 11.5572 11.5706 11.7824 11.7841 12.1800 12.1905 16.4751 16.5452 17.1871 17.1877 17.8325 17.9242 21.9652 21.9926 22.0792 22.0821 24.2164 24.2209 k = 0.5119 0.2543 0.2236 ( 1142 PWs) bands (ev): -68.4616 -68.4616 -36.9156 -36.9147 -24.8918 -24.8882 -24.7456 -24.7456 5.3871 5.4302 11.5568 11.5739 11.7826 11.7868 12.1811 12.1938 16.4580 16.5515 17.1841 17.1853 17.8063 17.9293 21.9471 21.9833 22.0884 22.0923 24.2438 24.2499 k = 0.5149 0.2457 0.2284 ( 1142 PWs) bands (ev): -68.4616 -68.4616 -36.9158 -36.9147 -24.8921 -24.8877 -24.7464 -24.7464 5.3892 5.4431 11.5568 11.5770 11.7825 11.7905 12.1837 12.1978 16.4391 16.5559 17.1797 17.1817 17.7779 17.9324 21.9274 21.9729 22.0977 22.1019 24.2792 24.2869 k = 0.5179 0.2371 0.2333 ( 1138 PWs) bands (ev): -68.4615 -68.4615 -36.9160 -36.9147 -24.8925 -24.8871 -24.7474 -24.7473 5.3930 5.4575 11.5569 11.5794 11.7818 11.7956 12.1885 12.2027 16.4180 16.5584 17.1741 17.1768 17.7479 17.9341 21.9063 21.9619 22.1070 22.1104 24.3224 24.3317 k = 0.5208 0.2285 0.2381 ( 1140 PWs) bands (ev): -68.4615 -68.4615 -36.9163 -36.9148 -24.8928 -24.8866 -24.7485 -24.7484 5.3983 5.4734 11.5570 11.5808 11.7807 11.8022 12.1957 12.2087 16.3947 16.5585 17.1669 17.1696 17.7175 17.9349 21.8837 21.9502 22.1159 22.1173 24.3733 24.3841 k = 0.5238 0.2199 0.2430 ( 1140 PWs) bands (ev): -68.4614 -68.4614 -36.9166 -36.9149 -24.8931 -24.8860 -24.7499 -24.7497 5.4052 5.4908 11.5564 11.5808 11.7792 11.8106 12.2057 12.2163 16.3690 16.5563 17.1582 17.1594 17.6881 17.9355 21.8597 21.9378 22.1226 22.1243 24.4317 24.4442 k = 0.5268 0.2114 0.2479 ( 1133 PWs) bands (ev): -68.4614 -68.4614 -36.9169 -36.9149 -24.8933 -24.8853 -24.7513 -24.7511 5.4135 5.5095 11.5548 11.5788 11.7780 11.8210 12.2189 12.2257 16.3406 16.5515 17.1450 17.1479 17.6614 17.9365 21.8341 21.9247 22.1258 22.1318 24.4975 24.5116 k = 0.5298 0.2028 0.2527 ( 1133 PWs) bands (ev): -68.4613 -68.4613 -36.9173 -36.9151 -24.8936 -24.8847 -24.7529 -24.7526 5.4232 5.5296 11.5514 11.5746 11.7776 11.8337 12.2353 12.2372 16.3091 16.5438 17.1250 17.1357 17.6392 17.9384 21.8068 21.9107 22.1267 22.1383 24.5705 24.5862 k = 0.5327 0.1942 0.2576 ( 1131 PWs) bands (ev): -68.4613 -68.4613 -36.9176 -36.9152 -24.8938 -24.8840 -24.7547 -24.7543 5.4343 5.5509 11.5453 11.5677 11.7790 11.8490 12.2511 12.2550 16.2744 16.5329 17.0983 17.1218 17.6232 17.9418 21.7776 21.8958 22.1252 22.1437 24.6505 24.6678 k = 0.5357 0.1856 0.2624 ( 1131 PWs) bands (ev): -68.4612 -68.4612 -36.9180 -36.9154 -24.8940 -24.8834 -24.7566 -24.7561 5.4467 5.5733 11.5360 11.5580 11.7830 11.8669 12.2675 12.2780 16.2363 16.5186 17.0644 17.1062 17.6145 17.9472 21.7464 21.8797 22.1209 22.1477 24.7373 24.7562 k = 0.5387 0.1770 0.2673 ( 1129 PWs) bands (ev): -68.4611 -68.4611 -36.9184 -36.9156 -24.8942 -24.8827 -24.7587 -24.7580 5.4603 5.5968 11.5231 11.5454 11.7903 11.8875 12.2866 12.3043 16.1947 16.5007 17.0236 17.0892 17.6136 17.9549 21.7130 21.8623 22.1138 22.1501 24.8307 24.8512 k = 0.5417 0.1684 0.2722 ( 1131 PWs) bands (ev): -68.4611 -68.4611 -36.9188 -36.9158 -24.8944 -24.8820 -24.7609 -24.7601 5.4750 5.6212 11.5064 11.5299 11.8012 11.9110 12.3085 12.3337 16.1493 16.4785 16.9769 17.0707 17.6201 17.9650 21.6772 21.8434 22.1037 22.1507 24.9305 24.9525 k = 0.5446 0.1598 0.2770 ( 1129 PWs) bands (ev): -68.4610 -68.4610 -36.9192 -36.9161 -24.8946 -24.8812 -24.7632 -24.7622 5.4907 5.6464 11.4862 11.5117 11.8160 11.9375 12.3332 12.3660 16.1002 16.4518 16.9259 17.0513 17.6333 17.9778 21.6390 21.8227 22.0905 22.1494 25.0364 25.0599 k = 0.5476 0.1512 0.2819 ( 1129 PWs) bands (ev): -68.4609 -68.4609 -36.9196 -36.9163 -24.8947 -24.8805 -24.7657 -24.7644 5.5074 5.6724 11.4627 11.4910 11.8346 11.9668 12.3606 12.4011 16.0472 16.4196 16.8725 17.0310 17.6525 17.9933 21.5981 21.8002 22.0740 22.1459 25.1482 25.1731 k = 0.5506 0.1426 0.2867 ( 1127 PWs) bands (ev): -68.4608 -68.4608 -36.9201 -36.9166 -24.8949 -24.8798 -24.7681 -24.7667 5.5249 5.6989 11.4365 11.4680 11.8569 11.9991 12.3907 12.4389 15.9906 16.3813 16.8186 17.0101 17.6766 18.0113 21.5544 21.7756 22.0543 22.1402 25.2656 25.2918 k = 0.5536 0.1340 0.2916 ( 1129 PWs) bands (ev): -68.4608 -68.4608 -36.9205 -36.9169 -24.8951 -24.8791 -24.7708 -24.7690 5.5431 5.7259 11.4079 11.4428 11.8828 12.0344 12.4233 12.4791 15.9303 16.3360 16.7662 16.9891 17.7051 18.0317 21.5079 21.7486 22.0313 22.1320 25.3884 25.4158 k = 0.5565 0.1254 0.2965 ( 1127 PWs) bands (ev): -68.4607 -68.4607 -36.9210 -36.9172 -24.8952 -24.8783 -24.7734 -24.7714 5.5619 5.7533 11.3774 11.4157 11.9123 12.0728 12.4582 12.5216 15.8665 16.2833 16.7167 16.9681 17.7372 18.0544 21.4584 21.7191 22.0050 22.1212 25.5163 25.5447 k = 0.5595 0.1168 0.3013 ( 1131 PWs) bands (ev): -68.4606 -68.4606 -36.9214 -36.9175 -24.8954 -24.8776 -24.7762 -24.7738 5.5813 5.7808 11.3452 11.3870 11.9451 12.1142 12.4954 12.5662 15.7995 16.2230 16.6712 16.9474 17.7722 18.0790 21.4059 21.6869 21.9756 22.1077 25.6490 25.6783 k = 0.5625 0.1083 0.3062 ( 1131 PWs) bands (ev): -68.4605 -68.4605 -36.9219 -36.9178 -24.8955 -24.8769 -24.7790 -24.7763 5.6010 5.8084 11.3119 11.3570 11.9814 12.1587 12.5346 12.6127 15.7294 16.1556 16.6300 16.9273 17.8098 18.1054 21.3505 21.6519 21.9431 22.0913 25.7863 25.8161 k = 0.5655 0.0997 0.3110 ( 1131 PWs) bands (ev): -68.4605 -68.4605 -36.9223 -36.9182 -24.8957 -24.8762 -24.7818 -24.7787 5.6211 5.8360 11.2775 11.3257 12.0211 12.2064 12.5757 12.6610 15.6566 16.0818 16.5930 16.9080 17.8496 18.1331 21.2921 21.6139 21.9076 22.0720 25.9277 25.9580 k = 0.5685 0.0911 0.3159 ( 1131 PWs) bands (ev): -68.4604 -68.4604 -36.9228 -36.9185 -24.8958 -24.8755 -24.7846 -24.7811 5.6414 5.8634 11.2424 11.2935 12.0641 12.2574 12.6185 12.7109 15.5813 16.0027 16.5599 16.8897 17.8909 18.1619 21.2309 21.5727 21.8694 22.0497 26.0729 26.1035 k = 0.5714 0.0825 0.3208 ( 1132 PWs) bands (ev): -68.4603 -68.4603 -36.9233 -36.9189 -24.8960 -24.8748 -24.7875 -24.7836 5.6617 5.8905 11.2068 11.2604 12.1105 12.3116 12.6628 12.7622 15.5038 15.9195 16.5302 16.8725 17.9335 18.1914 21.1669 21.5284 21.8287 22.0244 26.2217 26.2523 k = 0.5744 0.0739 0.3256 ( 1130 PWs) bands (ev): -68.4602 -68.4602 -36.9237 -36.9192 -24.8962 -24.8741 -24.7903 -24.7859 5.6821 5.9171 11.1708 11.2268 12.1602 12.3690 12.7086 12.8147 15.4245 15.8330 16.5034 16.8566 17.9771 18.2211 21.1005 21.4811 21.7857 21.9961 26.3737 26.4039 k = 0.5774 0.0653 0.3305 ( 1130 PWs) bands (ev): -68.4601 -68.4601 -36.9242 -36.9196 -24.8964 -24.8735 -24.7931 -24.7883 5.7023 5.9431 11.1346 11.1926 12.2132 12.4298 12.7555 12.8683 15.3437 15.7442 16.4793 16.8423 18.0211 18.2507 21.0318 21.4307 21.7405 21.9646 26.5285 26.5580 k = 0.5804 0.0567 0.3353 ( 1130 PWs) bands (ev): -68.4600 -68.4600 -36.9246 -36.9199 -24.8966 -24.8729 -24.7958 -24.7905 5.7222 5.9685 11.0983 11.1581 12.2696 12.4937 12.8035 12.9226 15.2616 15.6539 16.4576 16.8295 18.0651 18.2796 20.9611 21.3776 21.6935 21.9301 26.6856 26.7140 k = 0.5833 0.0481 0.3402 ( 1130 PWs) bands (ev): -68.4599 -68.4599 -36.9250 -36.9203 -24.8968 -24.8724 -24.7985 -24.7927 5.7419 5.9930 11.0620 11.1234 12.3292 12.5607 12.8525 12.9776 15.1786 15.5626 16.4384 16.8186 18.1088 18.3074 20.8889 21.3220 21.6447 21.8926 26.8446 26.8716 k = 0.5863 0.0395 0.3451 ( 1128 PWs) bands (ev): -68.4599 -68.4599 -36.9254 -36.9206 -24.8970 -24.8719 -24.8010 -24.7948 5.7611 6.0165 11.0259 11.0885 12.3919 12.6307 12.9024 13.0329 15.0950 15.4711 16.4215 16.8095 18.1516 18.3335 20.8157 21.2643 21.5945 21.8522 27.0051 27.0301 k = 0.5893 0.0309 0.3499 ( 1132 PWs) bands (ev): -68.4598 -68.4598 -36.9258 -36.9210 -24.8973 -24.8715 -24.8035 -24.7969 5.7797 6.0391 10.9899 11.0536 12.4575 12.7032 12.9533 13.0884 15.0110 15.3798 16.4071 16.8026 18.1930 18.3573 20.7419 21.2051 21.5430 21.8089 27.1664 27.1890 k = 0.5923 0.0223 0.3548 ( 1132 PWs) bands (ev): -68.4597 -68.4597 -36.9262 -36.9213 -24.8976 -24.8712 -24.8058 -24.7987 5.7978 6.0604 10.9543 11.0188 12.5260 12.7778 13.0056 13.1439 14.9270 15.2892 16.3951 16.7978 18.2323 18.3782 20.6685 21.1450 21.4906 21.7630 27.3280 27.3476 k = 0.5952 0.0137 0.3596 ( 1132 PWs) bands (ev): -68.4597 -68.4597 -36.9266 -36.9216 -24.8979 -24.8709 -24.8080 -24.8005 5.8152 6.0806 10.9190 10.9842 12.5969 12.8535 13.0598 13.1992 14.8432 15.1998 16.3857 16.7954 18.2689 18.3956 20.5961 21.0846 21.4375 21.7146 27.4893 27.5052 k = 0.5982 0.0052 0.3645 ( 1132 PWs) bands (ev): -68.4596 -68.4596 -36.9269 -36.9220 -24.8982 -24.8708 -24.8100 -24.8022 5.8318 6.0994 10.8842 10.9497 12.6700 12.9287 13.1173 13.2539 14.7601 15.1122 16.3791 16.7955 18.3020 18.4087 20.5257 21.0247 21.3840 21.6639 27.6494 27.6607 k = 0.6012-0.0034 0.3694 ( 1132 PWs) bands (ev): -68.4595 -68.4595 -36.9273 -36.9223 -24.8986 -24.8708 -24.8118 -24.8037 5.8475 6.1167 10.8498 10.9155 12.7448 13.0011 13.1798 13.3080 14.6779 15.0270 16.3753 16.7981 18.3308 18.4168 20.4583 20.9659 21.3305 21.6110 27.8072 27.8132 k = 0.6042-0.0120 0.3742 ( 1133 PWs) bands (ev): -68.4595 -68.4595 -36.9276 -36.9226 -24.8989 -24.8709 -24.8134 -24.8051 5.8623 6.1327 10.8158 10.8815 12.8205 13.0680 13.2497 13.3613 14.5968 14.9447 16.3746 16.8034 18.3543 18.4193 20.3952 20.9088 21.2776 21.5563 27.9612 27.9617 k = 0.6071-0.0206 0.3791 ( 1133 PWs) bands (ev): -68.4594 -68.4594 -36.9278 -36.9228 -24.8993 -24.8711 -24.8148 -24.8063 5.8762 6.1470 10.7823 10.8479 12.8965 13.1275 13.3285 13.4135 14.5174 14.8662 16.3770 16.8114 18.3716 18.4155 20.3374 20.8542 21.2259 21.5000 28.1031 28.1111 k = 0.6101-0.0292 0.3839 ( 1133 PWs) bands (ev): -68.4593 -68.4593 -36.9281 -36.9231 -24.8996 -24.8714 -24.8159 -24.8073 5.8889 6.1598 10.7494 10.8146 12.9717 13.1795 13.4154 13.4646 14.4400 14.7923 16.3827 16.8221 18.3818 18.4050 20.2863 20.8021 21.1762 21.4425 28.2366 28.2533 k = 0.6131-0.0378 0.3888 ( 1133 PWs) bands (ev): -68.4593 -68.4593 -36.9283 -36.9233 -24.9000 -24.8718 -24.8168 -24.8082 5.9006 6.1709 10.7169 10.7816 13.0448 13.2249 13.5089 13.5143 14.3653 14.7244 16.3918 16.8357 18.3841 18.3873 20.2428 20.7527 21.1296 21.3840 28.3590 28.3855 k = 0.6161-0.0464 0.3937 ( 1135 PWs) bands (ev): -68.4593 -68.4593 -36.9285 -36.9235 -24.9003 -24.8724 -24.8174 -24.8090 5.9111 6.1803 10.6850 10.7491 13.1143 13.2648 13.5622 13.6067 14.2942 14.6637 16.4043 16.8520 18.3622 18.3779 20.2080 20.7058 21.0871 21.3251 28.4670 28.5036 k = 0.6190-0.0550 0.3985 ( 1135 PWs) bands (ev): -68.4592 -68.4592 -36.9286 -36.9237 -24.9007 -24.8730 -24.8178 -24.8096 5.9204 6.1880 10.6536 10.7169 13.1786 13.2998 13.6079 13.7061 14.2285 14.6124 16.4203 16.8711 18.3299 18.3631 20.1825 20.6607 21.0502 21.2660 28.5568 28.6028 k = 0.6220-0.0636 0.4034 ( 1135 PWs) bands (ev): -68.4592 -68.4592 -36.9288 -36.9239 -24.9009 -24.8737 -24.8180 -24.8100 5.9284 6.1940 10.6227 10.6850 13.2357 13.3300 13.6502 13.8022 14.1726 14.5729 16.4398 16.8927 18.2907 18.3398 20.1663 20.6168 21.0201 21.2074 28.6255 28.6782 k = 0.6250-0.0722 0.4082 ( 1136 PWs) bands (ev): -68.4592 -68.4592 -36.9289 -36.9240 -24.9012 -24.8745 -24.8180 -24.8103 5.9352 6.1981 10.5923 10.6536 13.2842 13.3554 13.6874 13.8813 14.1399 14.5478 16.4625 16.9166 18.2453 18.3088 20.1594 20.5733 20.9980 21.1498 28.6717 28.7271 k = 0.6250-0.0722 0.4082 ( 1136 PWs) bands (ev): -68.4592 -68.4592 -36.9289 -36.9240 -24.9012 -24.8745 -24.8180 -24.8103 5.9352 6.1981 10.5923 10.6536 13.2842 13.3554 13.6874 13.8813 14.1399 14.5478 16.4625 16.9166 18.2453 18.3088 20.1594 20.5733 20.9980 21.1498 28.6717 28.7271 k = 0.6200-0.0693 0.4164 ( 1136 PWs) bands (ev): -68.4592 -68.4592 -36.9289 -36.9240 -24.9012 -24.8744 -24.8181 -24.8104 5.9353 6.1984 10.5936 10.6552 13.2586 13.3712 13.6806 13.8948 14.1410 14.5479 16.4631 16.9170 18.2408 18.3086 20.1518 20.5816 20.9750 21.1751 28.6729 28.7301 k = 0.6150-0.0664 0.4246 ( 1136 PWs) bands (ev): -68.4592 -68.4592 -36.9289 -36.9240 -24.9011 -24.8743 -24.8182 -24.8105 5.9357 6.1994 10.5976 10.6600 13.2104 13.3863 13.6718 13.9258 14.1454 14.5485 16.4647 16.9180 18.2283 18.3072 20.1310 20.6039 20.9290 21.2284 28.6765 28.7390 k = 0.6100-0.0635 0.4327 ( 1136 PWs) bands (ev): -68.4592 -68.4592 -36.9289 -36.9240 -24.9010 -24.8741 -24.8185 -24.8107 5.9364 6.2011 10.6042 10.6679 13.1565 13.3784 13.6786 13.9585 14.1563 14.5503 16.4671 16.9196 18.2093 18.3032 20.1016 20.6325 20.8822 21.2905 28.6830 28.7531 k = 0.6050-0.0606 0.4409 ( 1135 PWs) bands (ev): -68.4592 -68.4592 -36.9289 -36.9240 -24.9009 -24.8739 -24.8189 -24.8110 5.9374 6.2034 10.6135 10.6789 13.1007 13.3467 13.7040 13.9817 14.1776 14.5550 16.4702 16.9216 18.1853 18.2956 20.0680 20.6548 20.8486 21.3556 28.6929 28.7721 k = 0.6000-0.0577 0.4491 ( 1137 PWs) bands (ev): -68.4592 -68.4592 -36.9290 -36.9241 -24.9007 -24.8736 -24.8193 -24.8114 5.9386 6.2063 10.6253 10.6930 13.0444 13.2997 13.7403 13.9915 14.2090 14.5647 16.4736 16.9235 18.1575 18.2839 20.0333 20.6526 20.8447 21.4216 28.7062 28.7953 k = 0.5950-0.0548 0.4572 ( 1135 PWs) bands (ev): -68.4592 -68.4592 -36.9290 -36.9241 -24.9005 -24.8733 -24.8199 -24.8119 5.9401 6.2098 10.6395 10.7100 12.9884 13.2446 13.7793 13.9909 14.2454 14.5824 16.4769 16.9253 18.1267 18.2682 19.9997 20.6228 20.8725 21.4875 28.7231 28.8224 k = 0.5900-0.0520 0.4654 ( 1135 PWs) bands (ev): -68.4591 -68.4591 -36.9291 -36.9241 -24.9002 -24.8728 -24.8205 -24.8125 5.9418 6.2138 10.6562 10.7298 12.9332 13.1857 13.8143 13.9854 14.2806 14.6110 16.4795 16.9262 18.0937 18.2486 19.9684 20.5795 20.9163 21.5525 28.7437 28.8528 k = 0.5850-0.0491 0.4736 ( 1135 PWs) bands (ev): -68.4591 -68.4591 -36.9292 -36.9241 -24.8999 -24.8724 -24.8212 -24.8131 5.9437 6.2182 10.6752 10.7524 12.8792 13.1252 13.8388 13.9807 14.3122 14.6516 16.4810 16.9260 18.0595 18.2255 19.9402 20.5321 20.9663 21.6160 28.7679 28.8862 k = 0.5800-0.0462 0.4817 ( 1133 PWs) bands (ev): -68.4591 -68.4591 -36.9292 -36.9241 -24.8996 -24.8718 -24.8220 -24.8138 5.9458 6.2230 10.6963 10.7775 12.8267 13.0644 13.8470 13.9812 14.3415 14.7036 16.4808 16.9240 18.0248 18.1995 19.9158 20.4840 21.0179 21.6776 28.7956 28.9222 k = 0.5750-0.0433 0.4899 ( 1133 PWs) bands (ev): -68.4591 -68.4591 -36.9293 -36.9242 -24.8993 -24.8712 -24.8229 -24.8145 5.9481 6.2281 10.7193 10.8050 12.7760 13.0040 13.8392 13.9855 14.3715 14.7644 16.4783 16.9199 17.9904 18.1713 19.8952 20.4368 21.0691 21.7368 28.8265 28.9601 k = 0.5700-0.0404 0.4981 ( 1134 PWs) bands (ev): -68.4591 -68.4591 -36.9294 -36.9242 -24.8990 -24.8706 -24.8238 -24.8153 5.9505 6.2335 10.7442 10.8346 12.7272 12.9447 13.8206 13.9878 14.4052 14.8316 16.4729 16.9132 17.9571 18.1416 19.8786 20.3911 21.1188 21.7933 28.8604 28.9995 k = 0.5650-0.0375 0.5062 ( 1134 PWs) bands (ev): -68.4591 -68.4591 -36.9295 -36.9243 -24.8986 -24.8699 -24.8248 -24.8161 5.9530 6.2390 10.7705 10.8661 12.6807 12.8868 13.7959 13.9845 14.4435 14.9029 16.4642 16.9035 17.9257 18.1112 19.8660 20.3473 21.1661 21.8467 28.8970 29.0396 k = 0.5600-0.0346 0.5144 ( 1134 PWs) bands (ev): -68.4591 -68.4591 -36.9296 -36.9243 -24.8982 -24.8692 -24.8258 -24.8170 5.9555 6.2447 10.7980 10.8991 12.6368 12.8307 13.7680 13.9748 14.4862 14.9768 16.4517 16.8907 17.8968 18.0809 19.8571 20.3056 21.2105 21.8966 28.9359 29.0799 k = 0.5550-0.0318 0.5226 ( 1134 PWs) bands (ev): -68.4591 -68.4591 -36.9297 -36.9243 -24.8979 -24.8684 -24.8269 -24.8179 5.9582 6.2503 10.8264 10.9332 12.5956 12.7768 13.7383 13.9597 14.5317 15.0523 16.4350 16.8747 17.8707 18.0515 19.8519 20.2659 21.2516 21.9429 28.9767 29.1198 k = 0.5500-0.0289 0.5307 ( 1134 PWs) bands (ev): -68.4590 -68.4590 -36.9298 -36.9244 -24.8975 -24.8677 -24.8279 -24.8187 5.9608 6.2559 10.8552 10.9680 12.5576 12.7253 13.7079 13.9405 14.5786 15.1283 16.4140 16.8557 17.8477 18.0235 19.8501 20.2285 21.2891 21.9852 29.0188 29.1585 k = 0.5450-0.0260 0.5389 ( 1130 PWs) bands (ev): -68.4590 -68.4590 -36.9298 -36.9244 -24.8972 -24.8669 -24.8290 -24.8196 5.9634 6.2613 10.8839 11.0030 12.5230 12.6766 13.6777 13.9188 14.6254 15.2042 16.3887 16.8344 17.8280 17.9977 19.8516 20.1932 21.3228 22.0234 29.0616 29.1955 k = 0.5400-0.0231 0.5471 ( 1135 PWs) bands (ev): -68.4590 -68.4590 -36.9299 -36.9245 -24.8969 -24.8661 -24.8301 -24.8204 5.9659 6.2664 10.9120 11.0375 12.4921 12.6311 13.6481 13.8955 14.6707 15.2792 16.3590 16.8113 17.8110 17.9745 19.8559 20.1601 21.3525 22.0573 29.1045 29.2302 k = 0.5350-0.0202 0.5552 ( 1135 PWs) bands (ev): -68.4590 -68.4590 -36.9300 -36.9245 -24.8966 -24.8653 -24.8311 -24.8212 5.9682 6.2712 10.9390 11.0708 12.4653 12.5891 13.6199 13.8720 14.7135 15.3527 16.3255 16.7874 17.7966 17.9543 19.8629 20.1290 21.3781 22.0869 29.1469 29.2621 k = 0.5300-0.0173 0.5634 ( 1135 PWs) bands (ev): -68.4590 -68.4590 -36.9301 -36.9245 -24.8963 -24.8646 -24.8321 -24.8219 5.9704 6.2757 10.9642 11.1022 12.4430 12.5509 13.5936 13.8491 14.7527 15.4238 16.2889 16.7639 17.7845 17.9374 19.8723 20.1000 21.3997 22.1121 29.1878 29.2906 k = 0.5250-0.0144 0.5715 ( 1135 PWs) bands (ev): -68.4590 -68.4590 -36.9302 -36.9246 -24.8961 -24.8639 -24.8330 -24.8226 5.9724 6.2796 10.9869 11.1307 12.4254 12.5170 13.5697 13.8277 14.7873 15.4914 16.2502 16.7417 17.7743 17.9237 19.8838 20.0730 21.4174 22.1329 29.2263 29.3153 k = 0.5200-0.0115 0.5797 ( 1135 PWs) bands (ev): -68.4590 -68.4590 -36.9302 -36.9246 -24.8959 -24.8632 -24.8338 -24.8231 5.9742 6.2830 11.0065 11.1556 12.4127 12.4878 13.5488 13.8086 14.8165 15.5540 16.2108 16.7220 17.7657 17.9133 19.8971 20.0479 21.4312 22.1495 29.2614 29.3357 k = 0.5150-0.0087 0.5879 ( 1135 PWs) bands (ev): -68.4590 -68.4590 -36.9303 -36.9246 -24.8957 -24.8627 -24.8344 -24.8236 5.9756 6.2857 11.0225 11.1759 12.4050 12.4634 13.5315 13.7926 14.8398 15.6094 16.1731 16.7058 17.7587 17.9058 19.9118 20.0247 21.4414 22.1619 29.2916 29.3515 k = 0.5100-0.0058 0.5960 ( 1135 PWs) bands (ev): -68.4590 -68.4590 -36.9303 -36.9246 -24.8956 -24.8623 -24.8349 -24.8239 5.9766 6.2878 11.0343 11.1910 12.4018 12.4443 13.5184 13.7804 14.8565 15.6542 16.1406 16.6938 17.7533 17.9010 19.9277 20.0034 21.4482 22.1704 29.3155 29.3625 k = 0.5050-0.0029 0.6042 ( 1131 PWs) bands (ev): -68.4589 -68.4589 -36.9303 -36.9247 -24.8955 -24.8620 -24.8353 -24.8241 5.9773 6.2891 11.0416 11.2003 12.4023 12.4312 13.5102 13.7727 14.8665 15.6842 16.1180 16.6866 17.7498 17.8983 19.9437 19.9844 21.4520 22.1754 29.3309 29.3690 k = 0.5000-0.0000 0.6124 ( 1124 PWs) bands (ev): -68.4589 -68.4589 -36.9303 -36.9246 -24.8955 -24.8619 -24.8353 -24.8241 5.9776 6.2896 11.0440 11.2034 12.4034 12.4262 13.5074 13.7701 14.8698 15.6947 16.1099 16.6842 17.7486 17.8975 19.9545 19.9729 21.4533 22.1770 29.3363 29.3713 k = 0.5000-0.0000 0.6124 ( 1124 PWs) bands (ev): -68.4589 -68.4589 -36.9303 -36.9246 -24.8955 -24.8619 -24.8353 -24.8241 5.9776 6.2896 11.0440 11.2034 12.4034 12.4262 13.5074 13.7701 14.8698 15.6947 16.1099 16.6842 17.7486 17.8975 19.9545 19.9729 21.4533 22.1770 29.3363 29.3713 k = 0.5000 0.0059 0.6040 ( 1132 PWs) bands (ev): -68.4589 -68.4589 -36.9303 -36.9246 -24.8955 -24.8620 -24.8353 -24.8241 5.9770 6.2888 11.0447 11.2041 12.3947 12.4274 13.5125 13.7747 14.8633 15.6742 16.1252 16.6877 17.7513 17.8992 19.9386 19.9933 21.4541 22.1772 29.3260 29.3664 k = 0.5000 0.0118 0.5957 ( 1132 PWs) bands (ev): -68.4590 -68.4590 -36.9303 -36.9246 -24.8955 -24.8621 -24.8350 -24.8238 5.9751 6.2867 11.0467 11.2064 12.3745 12.4256 13.5281 13.7884 14.8446 15.6202 16.1638 16.6981 17.7591 17.9042 19.9209 20.0251 21.4571 22.1779 29.2967 29.3500 k = 0.5000 0.0177 0.5874 ( 1132 PWs) bands (ev): -68.4590 -68.4590 -36.9302 -36.9245 -24.8956 -24.8622 -24.8346 -24.8233 5.9721 6.2831 11.0500 11.2102 12.3473 12.4175 13.5532 13.8100 14.8145 15.5459 16.2131 16.7147 17.7714 17.9127 19.9079 20.0618 21.4619 22.1792 29.2502 29.3195 k = 0.5000 0.0236 0.5790 ( 1134 PWs) bands (ev): -68.4590 -68.4590 -36.9301 -36.9245 -24.8956 -24.8623 -24.8340 -24.8227 5.9678 6.2782 11.0546 11.2154 12.3153 12.4029 13.5870 13.8379 14.7751 15.4605 16.2646 16.7363 17.7869 17.9249 19.9004 20.1031 21.4685 22.1810 29.1871 29.2730 k = 0.5000 0.0295 0.5707 ( 1134 PWs) bands (ev): -68.4590 -68.4590 -36.9300 -36.9244 -24.8956 -24.8626 -24.8332 -24.8219 5.9624 6.2718 11.0606 11.2221 12.2796 12.3824 13.6279 13.8697 14.7288 15.3695 16.3142 16.7616 17.8044 17.9406 19.8988 20.1488 21.4770 22.1832 29.1081 29.2091 k = 0.5000 0.0353 0.5624 ( 1134 PWs) bands (ev): -68.4590 -68.4590 -36.9298 -36.9242 -24.8957 -24.8628 -24.8322 -24.8210 5.9557 6.2640 11.0678 11.2303 12.2414 12.3572 13.6745 13.9025 14.6786 15.2766 16.3599 16.7894 17.8223 17.9598 19.9037 20.1988 21.4871 22.1858 29.0140 29.1273 k = 0.5000 0.0412 0.5541 ( 1134 PWs) bands (ev): -68.4591 -68.4591 -36.9297 -36.9241 -24.8957 -24.8631 -24.8311 -24.8199 5.9479 6.2549 11.0763 11.2399 12.2016 12.3282 13.7249 13.9322 14.6285 15.1851 16.4008 16.8184 17.8394 17.9819 19.9155 20.2532 21.4987 22.1887 28.9062 29.0280 k = 0.5000 0.0471 0.5457 ( 1132 PWs) bands (ev): -68.4591 -68.4591 -36.9295 -36.9239 -24.8957 -24.8635 -24.8297 -24.8186 5.9390 6.2443 11.0860 11.2508 12.1611 12.2965 13.7767 13.9539 14.5829 15.0987 16.4369 16.8477 17.8548 18.0059 19.9347 20.3118 21.5118 22.1920 28.7862 28.9130 k = 0.5000 0.0530 0.5374 ( 1126 PWs) bands (ev): -68.4591 -68.4591 -36.9292 -36.9237 -24.8957 -24.8639 -24.8281 -24.8173 5.9290 6.2324 11.0970 11.2631 12.1205 12.2631 13.8268 13.9622 14.5467 15.0217 16.4683 16.8765 17.8682 18.0303 19.9617 20.3746 21.5262 22.1954 28.6559 28.7847 k = 0.5000 0.0589 0.5291 ( 1130 PWs) bands (ev): -68.4592 -68.4592 -36.9290 -36.9235 -24.8958 -24.8644 -24.8265 -24.8158 5.9179 6.2192 11.1091 11.2767 12.0802 12.2285 13.8693 13.9537 14.5232 14.9602 16.4953 16.9040 17.8791 18.0538 19.9963 20.4412 21.5416 22.1989 28.5170 28.6456 k = 0.5000 0.0648 0.5207 ( 1128 PWs) bands (ev): -68.4592 -68.4592 -36.9287 -36.9232 -24.8958 -24.8649 -24.8246 -24.8142 5.9057 6.2046 11.1223 11.2915 12.0407 12.1936 13.8868 13.9392 14.5131 14.9208 16.5185 16.9300 17.8875 18.0751 20.0387 20.5114 21.5581 22.2026 28.3713 28.4982 k = 0.5000 0.0707 0.5124 ( 1132 PWs) bands (ev): -68.4593 -68.4593 -36.9284 -36.9230 -24.8958 -24.8654 -24.8226 -24.8125 5.8925 6.1887 11.1366 11.3074 12.0023 12.1588 13.8523 13.9412 14.5156 14.9088 16.5384 16.9541 17.8931 18.0933 20.0886 20.5849 21.5752 22.2061 28.2203 28.3443 k = 0.5000 0.0766 0.5041 ( 1132 PWs) bands (ev): -68.4594 -68.4594 -36.9281 -36.9227 -24.8959 -24.8660 -24.8204 -24.8107 5.8784 6.1715 11.1519 11.3244 11.9654 12.1246 13.7915 13.9322 14.5327 14.9247 16.5555 16.9764 17.8958 18.1079 20.1455 20.6612 21.5932 22.2096 28.0653 28.1857 k = 0.5000 0.0825 0.4957 ( 1132 PWs) bands (ev): -68.4594 -68.4594 -36.9278 -36.9224 -24.8959 -24.8666 -24.8181 -24.8088 5.8634 6.1532 11.1682 11.3424 11.9300 12.0913 13.7194 13.8998 14.5664 14.9638 16.5702 16.9967 17.8956 18.1187 20.2087 20.7397 21.6118 22.2129 27.9073 28.0236 k = 0.5000 0.0884 0.4874 ( 1132 PWs) bands (ev): -68.4595 -68.4595 -36.9274 -36.9221 -24.8959 -24.8673 -24.8157 -24.8068 5.8475 6.1336 11.1854 11.3614 11.8964 12.0591 13.6409 13.8460 14.6161 15.0201 16.5829 17.0151 17.8923 18.1256 20.2774 20.8200 21.6308 22.2160 27.7473 27.8592 k = 0.5000 0.0943 0.4791 ( 1138 PWs) bands (ev): -68.4596 -68.4596 -36.9271 -36.9219 -24.8959 -24.8680 -24.8132 -24.8047 5.8308 6.1129 11.2034 11.3812 11.8646 12.0284 13.5589 13.7767 14.6783 15.0882 16.5939 17.0318 17.8861 18.1289 20.3506 20.9012 21.6501 22.2188 27.5860 27.6933 k = 0.5000 0.1002 0.4707 ( 1138 PWs) bands (ev): -68.4597 -68.4597 -36.9267 -36.9215 -24.8959 -24.8687 -24.8105 -24.8025 5.8134 6.0912 11.2222 11.4018 11.8348 11.9992 13.4751 13.6974 14.7495 15.1646 16.6038 17.0469 17.8770 18.1289 20.4275 20.9830 21.6698 22.2212 27.4243 27.5268 k = 0.5000 0.1060 0.4624 ( 1136 PWs) bands (ev): -68.4597 -68.4597 -36.9263 -36.9212 -24.8959 -24.8694 -24.8078 -24.8003 5.7954 6.0685 11.2417 11.4230 11.8070 11.9718 13.3907 13.6123 14.8268 15.2468 16.6126 17.0605 17.8652 18.1260 20.5070 21.0645 21.6896 22.2233 27.2627 27.3603 k = 0.5000 0.1119 0.4541 ( 1130 PWs) bands (ev): -68.4598 -68.4598 -36.9259 -36.9208 -24.8958 -24.8701 -24.8050 -24.7980 5.7768 6.0448 11.2617 11.4448 11.7814 11.9462 13.3067 13.5241 14.9082 15.3331 16.6209 17.0728 17.8509 18.1205 20.5883 21.1450 21.7097 22.2250 27.1016 27.1943 k = 0.5000 0.1178 0.4457 ( 1130 PWs) bands (ev): -68.4599 -68.4599 -36.9254 -36.9205 -24.8958 -24.8708 -24.8022 -24.7956 5.7576 6.0203 11.2822 11.4669 11.7577 11.9225 13.2237 13.4346 14.9922 15.4220 16.6286 17.0839 17.8343 18.1129 20.6705 21.2239 21.7298 22.2261 26.9417 27.0294 k = 0.5000 0.1237 0.4374 ( 1124 PWs) bands (ev): -68.4599 -68.4599 -36.9250 -36.9201 -24.8957 -24.8715 -24.7992 -24.7932 5.7381 5.9950 11.3032 11.4893 11.7363 11.9007 13.1423 13.3451 15.0778 15.5127 16.6362 17.0940 17.8159 18.1035 20.7528 21.3006 21.7502 22.2267 26.7833 26.8661 k = 0.5000 0.1296 0.4291 ( 1124 PWs) bands (ev): -68.4600 -68.4600 -36.9245 -36.9198 -24.8957 -24.8723 -24.7963 -24.7907 5.7182 5.9690 11.3242 11.5118 11.7169 11.8809 13.0628 13.2566 15.1643 15.6043 16.6438 17.1031 17.7960 18.0927 20.8344 21.3741 21.7708 22.2268 26.6267 26.7047 k = 0.5000 0.1355 0.4207 ( 1126 PWs) bands (ev): -68.4601 -68.4601 -36.9241 -36.9195 -24.8956 -24.8731 -24.7934 -24.7883 5.6980 5.9424 11.3454 11.5340 11.6997 11.8631 12.9857 13.1697 15.2509 15.6960 16.6519 17.1113 17.7748 18.0808 20.9148 21.4439 21.7919 22.2263 26.4725 26.5457 k = 0.5000 0.1414 0.4124 ( 1128 PWs) bands (ev): -68.4602 -68.4602 -36.9237 -36.9191 -24.8956 -24.8738 -24.7904 -24.7858 5.6777 5.9154 11.3665 11.5557 11.6848 11.8473 12.9112 13.0848 15.3371 15.7872 16.6606 17.1188 17.7528 18.0681 20.9933 21.5093 21.8135 22.2252 26.3209 26.3894 k = 0.5000 0.1473 0.4041 ( 1128 PWs) bands (ev): -68.4603 -68.4603 -36.9232 -36.9188 -24.8955 -24.8746 -24.7875 -24.7833 5.6574 5.8879 11.3873 11.5764 11.6725 11.8334 12.8395 13.0025 15.4224 15.8771 16.6704 17.1257 17.7305 18.0548 21.0697 21.5696 21.8362 22.2235 26.1723 26.2361 k = 0.5000 0.1532 0.3958 ( 1128 PWs) bands (ev): -68.4604 -68.4604 -36.9227 -36.9184 -24.8954 -24.8754 -24.7845 -24.7808 5.6371 5.8603 11.4078 11.5947 11.6639 11.8216 12.7710 12.9229 15.5064 15.9649 16.6818 17.1320 17.7082 18.0414 21.1434 21.6240 21.8600 22.2213 26.0270 26.0863 k = 0.5000 0.1591 0.3874 ( 1128 PWs) bands (ev): -68.4605 -68.4605 -36.9223 -36.9181 -24.8954 -24.8761 -24.7816 -24.7783 5.6169 5.8324 11.4276 11.6081 11.6613 11.8116 12.7059 12.8464 15.5887 16.0496 16.6954 17.1378 17.6864 18.0279 21.2141 21.6720 21.8855 22.2185 25.8852 25.9402 k = 0.5000 0.1650 0.3791 ( 1128 PWs) bands (ev): -68.4605 -68.4605 -36.9218 -36.9178 -24.8953 -24.8769 -24.7788 -24.7758 5.5970 5.8045 11.4467 11.6132 11.6677 11.8036 12.6442 12.7732 15.6687 16.1302 16.7118 17.1430 17.6654 18.0147 21.2817 21.7134 21.9124 22.2151 25.7474 25.7981 k = 0.5000 0.1708 0.3708 ( 1128 PWs) bands (ev): -68.4606 -68.4606 -36.9213 -36.9174 -24.8952 -24.8777 -24.7759 -24.7733 5.5774 5.7767 11.4647 11.6120 11.6810 11.7973 12.5864 12.7035 15.7461 16.2053 16.7318 17.1479 17.6458 18.0020 21.3459 21.7484 21.9405 22.2112 25.6137 25.6604 k = 0.5000 0.1767 0.3624 ( 1128 PWs) bands (ev): -68.4607 -68.4607 -36.9209 -36.9171 -24.8951 -24.8784 -24.7732 -24.7709 5.5583 5.7491 11.4814 11.6083 11.6968 11.7927 12.5324 12.6376 15.8205 16.2735 16.7563 17.1523 17.6280 17.9899 21.4067 21.7778 21.9688 22.2067 25.4844 25.5272 k = 0.5000 0.1826 0.3541 ( 1128 PWs) bands (ev): -68.4608 -68.4608 -36.9204 -36.9168 -24.8949 -24.8792 -24.7705 -24.7685 5.5397 5.7218 11.4968 11.6043 11.7128 11.7898 12.4825 12.5755 15.8915 16.3337 16.7862 17.1563 17.6124 17.9787 21.4639 21.8025 21.9965 22.2018 25.3598 25.3990 k = 0.5000 0.1885 0.3458 ( 1128 PWs) bands (ev): -68.4609 -68.4609 -36.9200 -36.9166 -24.8948 -24.8799 -24.7679 -24.7662 5.5218 5.6949 11.5105 11.6006 11.7280 11.7882 12.4369 12.5176 15.9587 16.3850 16.8214 17.1599 17.5998 17.9686 21.5175 21.8236 22.0224 22.1964 25.2402 25.2758 k = 0.5000 0.1944 0.3374 ( 1128 PWs) bands (ev): -68.4609 -68.4609 -36.9196 -36.9163 -24.8947 -24.8806 -24.7654 -24.7640 5.5046 5.6685 11.5224 11.5975 11.7419 11.7878 12.3956 12.4640 16.0219 16.4273 16.8613 17.1631 17.5906 17.9596 21.5676 21.8420 22.0458 22.1905 25.1258 25.1581 k = 0.5000 0.2003 0.3291 ( 1130 PWs) bands (ev): -68.4610 -68.4610 -36.9191 -36.9160 -24.8945 -24.8814 -24.7630 -24.7618 5.4882 5.6428 11.5325 11.5949 11.7543 11.7882 12.3587 12.4149 16.0807 16.4612 16.9045 17.1660 17.5854 17.9520 21.6143 21.8582 22.0662 22.1841 25.0168 25.0460 k = 0.5000 0.2062 0.3208 ( 1130 PWs) bands (ev): -68.4611 -68.4611 -36.9187 -36.9158 -24.8943 -24.8821 -24.7607 -24.7597 5.4728 5.6178 11.5407 11.5929 11.7648 11.7892 12.3263 12.3705 16.1351 16.4881 16.9488 17.1687 17.5849 17.9459 21.6577 21.8728 22.0833 22.1774 24.9136 24.9399 k = 0.5000 0.2121 0.3124 ( 1130 PWs) bands (ev): -68.4611 -68.4611 -36.9183 -36.9156 -24.8942 -24.8827 -24.7585 -24.7577 5.4584 5.5937 11.5471 11.5914 11.7735 11.7904 12.2984 12.3310 16.1849 16.5092 16.9919 17.1709 17.5896 17.9411 21.6979 21.8863 22.0969 22.1702 24.8162 24.8398 k = 0.5000 0.2180 0.3041 ( 1128 PWs) bands (ev): -68.4612 -68.4612 -36.9179 -36.9154 -24.8939 -24.8834 -24.7565 -24.7558 5.4451 5.5706 11.5517 11.5901 11.7802 11.7914 12.2747 12.2965 16.2301 16.5255 17.0320 17.1730 17.5998 17.9378 21.7351 21.8989 22.1071 22.1628 24.7251 24.7462 k = 0.5000 0.2239 0.2958 ( 1130 PWs) bands (ev): -68.4613 -68.4613 -36.9176 -36.9152 -24.8937 -24.8841 -24.7546 -24.7541 5.4330 5.5485 11.5548 11.5891 11.7850 11.7921 12.2551 12.2671 16.2709 16.5381 17.0674 17.1749 17.6154 17.9356 21.7695 21.9107 22.1138 22.1549 24.6403 24.6591 k = 0.5000 0.2298 0.2874 ( 1134 PWs) bands (ev): -68.4613 -68.4613 -36.9172 -36.9151 -24.8935 -24.8848 -24.7528 -24.7524 5.4222 5.5275 11.5565 11.5880 11.7880 11.7922 12.2388 12.2430 16.3075 16.5473 17.0976 17.1766 17.6362 17.9345 21.8013 21.9220 22.1173 22.1468 24.5621 24.5787 k = 0.5000 0.2357 0.2791 ( 1138 PWs) bands (ev): -68.4614 -68.4614 -36.9169 -36.9149 -24.8933 -24.8854 -24.7512 -24.7509 5.4127 5.5077 11.5573 11.5867 11.7894 11.7918 12.2225 12.2268 16.3403 16.5538 17.1223 17.1784 17.6612 17.9342 21.8306 21.9329 22.1177 22.1384 24.4908 24.5054 k = 0.5000 0.2415 0.2708 ( 1140 PWs) bands (ev): -68.4614 -68.4614 -36.9166 -36.9148 -24.8930 -24.8860 -24.7498 -24.7496 5.4045 5.4893 11.5575 11.5850 11.7894 11.7910 12.2076 12.2165 16.3695 16.5576 17.1419 17.1801 17.6894 17.9342 21.8577 21.9436 22.1153 22.1299 24.4264 24.4391 k = 0.5000 0.2474 0.2624 ( 1138 PWs) bands (ev): -68.4615 -68.4615 -36.9163 -36.9148 -24.8927 -24.8866 -24.7484 -24.7483 5.3979 5.4722 11.5573 11.5828 11.7885 11.7898 12.1965 12.2086 16.3956 16.5592 17.1570 17.1819 17.7193 17.9343 21.8829 21.9541 22.1105 22.1212 24.3693 24.3802 k = 0.5000 0.2533 0.2541 ( 1136 PWs) bands (ev): -68.4615 -68.4615 -36.9160 -36.9147 -24.8924 -24.8872 -24.7473 -24.7472 5.3927 5.4566 11.5570 11.5802 11.7872 11.7882 12.1887 12.2025 16.4190 16.5586 17.1685 17.1836 17.7497 17.9338 21.9062 21.9644 22.1038 22.1123 24.3195 24.3287 k = 0.5000 0.2592 0.2458 ( 1142 PWs) bands (ev): -68.4616 -68.4616 -36.9158 -36.9147 -24.8921 -24.8877 -24.7464 -24.7463 5.3891 5.4424 11.5568 11.5772 11.7857 11.7865 12.1838 12.1976 16.4399 16.5559 17.1768 17.1853 17.7794 17.9322 21.9277 21.9744 22.0958 22.1027 24.2772 24.2848 k = 0.5000 0.2651 0.2375 ( 1142 PWs) bands (ev): -68.4616 -68.4616 -36.9156 -36.9147 -24.8918 -24.8883 -24.7456 -24.7456 5.3870 5.4298 11.5568 11.5739 11.7843 11.7848 12.1811 12.1936 16.4587 16.5513 17.1827 17.1870 17.8075 17.9291 21.9475 21.9841 22.0872 22.0925 24.2425 24.2486 k = 0.5000 0.2710 0.2291 ( 1144 PWs) bands (ev): -68.4616 -68.4616 -36.9154 -36.9147 -24.8914 -24.8888 -24.7450 -24.7450 5.3866 5.4187 11.5572 11.5706 11.7831 11.7833 12.1800 12.1904 16.4756 16.5450 17.1866 17.1884 17.8332 17.9240 21.9656 21.9930 22.0786 22.0821 24.2156 24.2202 k = 0.5000 0.2769 0.2208 ( 1152 PWs) bands (ev): -68.4616 -68.4616 -36.9152 -36.9148 -24.8911 -24.8893 -24.7446 -24.7446 5.3878 5.4092 11.5582 11.5673 11.7821 11.7822 12.1802 12.1875 16.4908 16.5371 17.1890 17.1896 17.8561 17.9164 21.9815 22.0002 22.0705 22.0722 24.1966 24.1996 k = 0.5000 0.2828 0.2125 ( 1158 PWs) bands (ev): -68.4617 -68.4617 -36.9151 -36.9148 -24.8907 -24.8898 -24.7444 -24.7444 5.3907 5.4014 11.5597 11.5643 11.7815 11.7815 12.1812 12.1850 16.5045 16.5277 17.1903 17.1904 17.8760 17.9060 21.9944 22.0042 22.0642 22.0645 24.1854 24.1869 k = 0.5000 0.2887 0.2041 ( 1158 PWs) bands (ev): -68.4617 -68.4617 -36.9149 -36.9149 -24.8903 -24.8903 -24.7443 -24.7443 5.3952 5.3952 11.5617 11.5617 11.7812 11.7812 12.1829 12.1829 16.5168 16.5168 17.1907 17.1907 17.8926 17.8926 22.0026 22.0026 22.0616 22.0616 24.1822 24.1822 k = 0.5000 0.2887 0.2041 ( 1158 PWs) bands (ev): -68.4617 -68.4617 -36.9149 -36.9149 -24.8903 -24.8903 -24.7443 -24.7443 5.3952 5.3952 11.5617 11.5617 11.7812 11.7812 12.1829 12.1829 16.5168 16.5168 17.1907 17.1907 17.8926 17.8926 22.0026 22.0026 22.0616 22.0616 24.1822 24.1822 k = 0.4970 0.2870 0.2138 ( 1158 PWs) bands (ev): -68.4617 -68.4617 -36.9151 -36.9148 -24.8907 -24.8898 -24.7444 -24.7444 5.3906 5.4015 11.5597 11.5643 11.7814 11.7815 12.1812 12.1850 16.5044 16.5278 17.1903 17.1903 17.8758 17.9061 21.9943 22.0042 22.0643 22.0646 24.1855 24.1870 k = 0.4940 0.2852 0.2236 ( 1152 PWs) bands (ev): -68.4616 -68.4616 -36.9152 -36.9148 -24.8911 -24.8893 -24.7446 -24.7446 5.3878 5.4094 11.5582 11.5674 11.7819 11.7824 12.1802 12.1875 16.4905 16.5373 17.1892 17.1894 17.8557 17.9166 21.9812 22.0001 22.0708 22.0723 24.1969 24.1999 k = 0.4911 0.2835 0.2333 ( 1144 PWs) bands (ev): -68.4616 -68.4616 -36.9154 -36.9147 -24.8914 -24.8888 -24.7450 -24.7450 5.3866 5.4190 11.5572 11.5706 11.7824 11.7841 12.1800 12.1905 16.4751 16.5452 17.1871 17.1877 17.8325 17.9242 21.9652 21.9926 22.0792 22.0821 24.2164 24.2209 k = 0.4881 0.2818 0.2430 ( 1142 PWs) bands (ev): -68.4616 -68.4616 -36.9156 -36.9147 -24.8918 -24.8882 -24.7456 -24.7456 5.3871 5.4302 11.5568 11.5739 11.7826 11.7868 12.1811 12.1938 16.4580 16.5515 17.1841 17.1853 17.8063 17.9293 21.9471 21.9833 22.0884 22.0923 24.2438 24.2499 k = 0.4851 0.2801 0.2527 ( 1142 PWs) bands (ev): -68.4616 -68.4616 -36.9158 -36.9147 -24.8921 -24.8877 -24.7464 -24.7464 5.3892 5.4431 11.5568 11.5770 11.7825 11.7905 12.1837 12.1978 16.4391 16.5559 17.1797 17.1817 17.7779 17.9324 21.9274 21.9729 22.0977 22.1019 24.2792 24.2869 k = 0.4821 0.2784 0.2624 ( 1138 PWs) bands (ev): -68.4615 -68.4615 -36.9160 -36.9147 -24.8925 -24.8871 -24.7474 -24.7473 5.3930 5.4575 11.5569 11.5794 11.7818 11.7956 12.1885 12.2027 16.4180 16.5584 17.1741 17.1768 17.7479 17.9341 21.9063 21.9619 22.1070 22.1104 24.3224 24.3317 k = 0.4792 0.2766 0.2722 ( 1140 PWs) bands (ev): -68.4615 -68.4615 -36.9163 -36.9148 -24.8928 -24.8866 -24.7485 -24.7484 5.3983 5.4734 11.5570 11.5808 11.7807 11.8022 12.1957 12.2087 16.3947 16.5585 17.1669 17.1696 17.7175 17.9349 21.8837 21.9502 22.1159 22.1173 24.3733 24.3841 k = 0.4762 0.2749 0.2819 ( 1140 PWs) bands (ev): -68.4614 -68.4614 -36.9166 -36.9149 -24.8931 -24.8860 -24.7499 -24.7497 5.4052 5.4908 11.5564 11.5808 11.7792 11.8106 12.2057 12.2163 16.3690 16.5563 17.1582 17.1594 17.6881 17.9355 21.8597 21.9378 22.1226 22.1243 24.4317 24.4442 k = 0.4732 0.2732 0.2916 ( 1133 PWs) bands (ev): -68.4614 -68.4614 -36.9169 -36.9149 -24.8933 -24.8853 -24.7513 -24.7511 5.4135 5.5095 11.5548 11.5788 11.7780 11.8210 12.2189 12.2257 16.3406 16.5515 17.1450 17.1479 17.6614 17.9365 21.8341 21.9247 22.1258 22.1318 24.4975 24.5116 k = 0.4702 0.2715 0.3013 ( 1133 PWs) bands (ev): -68.4613 -68.4613 -36.9173 -36.9151 -24.8936 -24.8847 -24.7529 -24.7526 5.4232 5.5296 11.5514 11.5746 11.7776 11.8337 12.2353 12.2372 16.3091 16.5438 17.1250 17.1357 17.6392 17.9384 21.8068 21.9107 22.1267 22.1383 24.5705 24.5862 k = 0.4673 0.2698 0.3110 ( 1131 PWs) bands (ev): -68.4613 -68.4613 -36.9176 -36.9152 -24.8938 -24.8840 -24.7547 -24.7543 5.4343 5.5509 11.5453 11.5677 11.7790 11.8490 12.2511 12.2550 16.2744 16.5329 17.0983 17.1218 17.6232 17.9418 21.7776 21.8958 22.1252 22.1437 24.6505 24.6678 k = 0.4643 0.2681 0.3208 ( 1131 PWs) bands (ev): -68.4612 -68.4612 -36.9180 -36.9154 -24.8940 -24.8834 -24.7566 -24.7561 5.4467 5.5733 11.5360 11.5580 11.7830 11.8669 12.2675 12.2780 16.2363 16.5186 17.0644 17.1062 17.6145 17.9472 21.7464 21.8797 22.1209 22.1477 24.7373 24.7562 k = 0.4613 0.2663 0.3305 ( 1129 PWs) bands (ev): -68.4611 -68.4611 -36.9184 -36.9156 -24.8942 -24.8827 -24.7587 -24.7580 5.4603 5.5968 11.5231 11.5454 11.7903 11.8875 12.2866 12.3043 16.1947 16.5007 17.0236 17.0892 17.6136 17.9549 21.7130 21.8623 22.1138 22.1501 24.8307 24.8512 k = 0.4583 0.2646 0.3402 ( 1131 PWs) bands (ev): -68.4611 -68.4611 -36.9188 -36.9158 -24.8944 -24.8820 -24.7609 -24.7601 5.4750 5.6212 11.5064 11.5299 11.8012 11.9110 12.3085 12.3337 16.1493 16.4785 16.9769 17.0707 17.6201 17.9650 21.6772 21.8434 22.1037 22.1507 24.9305 24.9525 k = 0.4554 0.2629 0.3499 ( 1129 PWs) bands (ev): -68.4610 -68.4610 -36.9192 -36.9161 -24.8946 -24.8812 -24.7632 -24.7622 5.4907 5.6464 11.4862 11.5117 11.8160 11.9375 12.3332 12.3660 16.1002 16.4518 16.9259 17.0513 17.6333 17.9778 21.6390 21.8227 22.0905 22.1494 25.0364 25.0599 k = 0.4524 0.2612 0.3596 ( 1129 PWs) bands (ev): -68.4609 -68.4609 -36.9196 -36.9163 -24.8947 -24.8805 -24.7657 -24.7644 5.5074 5.6724 11.4627 11.4910 11.8346 11.9668 12.3606 12.4011 16.0472 16.4196 16.8725 17.0310 17.6525 17.9933 21.5981 21.8002 22.0740 22.1459 25.1482 25.1731 k = 0.4494 0.2595 0.3694 ( 1127 PWs) bands (ev): -68.4608 -68.4608 -36.9201 -36.9166 -24.8949 -24.8798 -24.7681 -24.7667 5.5249 5.6989 11.4365 11.4680 11.8569 11.9991 12.3907 12.4389 15.9906 16.3813 16.8186 17.0101 17.6766 18.0113 21.5544 21.7756 22.0543 22.1402 25.2656 25.2918 k = 0.4464 0.2577 0.3791 ( 1129 PWs) bands (ev): -68.4608 -68.4608 -36.9205 -36.9169 -24.8951 -24.8791 -24.7708 -24.7690 5.5431 5.7259 11.4079 11.4428 11.8828 12.0344 12.4233 12.4791 15.9303 16.3360 16.7662 16.9891 17.7051 18.0317 21.5079 21.7486 22.0313 22.1320 25.3884 25.4158 k = 0.4435 0.2560 0.3888 ( 1127 PWs) bands (ev): -68.4607 -68.4607 -36.9210 -36.9172 -24.8952 -24.8783 -24.7734 -24.7714 5.5619 5.7533 11.3774 11.4157 11.9123 12.0728 12.4582 12.5216 15.8665 16.2833 16.7167 16.9681 17.7372 18.0544 21.4584 21.7191 22.0050 22.1212 25.5163 25.5447 k = 0.4405 0.2543 0.3985 ( 1131 PWs) bands (ev): -68.4606 -68.4606 -36.9214 -36.9175 -24.8954 -24.8776 -24.7762 -24.7738 5.5813 5.7808 11.3452 11.3870 11.9451 12.1142 12.4954 12.5662 15.7995 16.2230 16.6712 16.9474 17.7722 18.0790 21.4059 21.6869 21.9756 22.1077 25.6490 25.6783 k = 0.4375 0.2526 0.4082 ( 1131 PWs) bands (ev): -68.4605 -68.4605 -36.9219 -36.9178 -24.8955 -24.8769 -24.7790 -24.7763 5.6010 5.8084 11.3119 11.3570 11.9814 12.1587 12.5346 12.6127 15.7294 16.1556 16.6300 16.9273 17.8098 18.1054 21.3505 21.6519 21.9431 22.0913 25.7863 25.8161 k = 0.4345 0.2509 0.4180 ( 1131 PWs) bands (ev): -68.4605 -68.4605 -36.9223 -36.9182 -24.8957 -24.8762 -24.7818 -24.7787 5.6211 5.8360 11.2775 11.3257 12.0211 12.2064 12.5757 12.6610 15.6566 16.0818 16.5930 16.9080 17.8496 18.1331 21.2921 21.6139 21.9076 22.0720 25.9277 25.9580 k = 0.4315 0.2492 0.4277 ( 1131 PWs) bands (ev): -68.4604 -68.4604 -36.9228 -36.9185 -24.8958 -24.8755 -24.7846 -24.7811 5.6414 5.8634 11.2424 11.2935 12.0641 12.2574 12.6185 12.7109 15.5813 16.0027 16.5599 16.8897 17.8909 18.1619 21.2309 21.5727 21.8694 22.0497 26.0729 26.1035 k = 0.4286 0.2474 0.4374 ( 1132 PWs) bands (ev): -68.4603 -68.4603 -36.9233 -36.9189 -24.8960 -24.8748 -24.7875 -24.7836 5.6617 5.8905 11.2068 11.2604 12.1105 12.3116 12.6628 12.7622 15.5038 15.9195 16.5302 16.8725 17.9335 18.1914 21.1669 21.5284 21.8287 22.0244 26.2217 26.2523 k = 0.4256 0.2457 0.4471 ( 1130 PWs) bands (ev): -68.4602 -68.4602 -36.9237 -36.9192 -24.8962 -24.8741 -24.7903 -24.7859 5.6821 5.9171 11.1708 11.2268 12.1602 12.3690 12.7086 12.8147 15.4245 15.8330 16.5034 16.8566 17.9771 18.2211 21.1005 21.4811 21.7857 21.9961 26.3737 26.4039 k = 0.4226 0.2440 0.4568 ( 1130 PWs) bands (ev): -68.4601 -68.4601 -36.9242 -36.9196 -24.8964 -24.8735 -24.7931 -24.7883 5.7023 5.9431 11.1346 11.1926 12.2132 12.4298 12.7555 12.8683 15.3437 15.7442 16.4793 16.8423 18.0211 18.2507 21.0318 21.4307 21.7405 21.9646 26.5285 26.5580 k = 0.4196 0.2423 0.4666 ( 1130 PWs) bands (ev): -68.4600 -68.4600 -36.9246 -36.9199 -24.8966 -24.8729 -24.7958 -24.7905 5.7222 5.9685 11.0983 11.1581 12.2696 12.4937 12.8035 12.9226 15.2616 15.6539 16.4576 16.8295 18.0651 18.2796 20.9611 21.3776 21.6935 21.9301 26.6856 26.7140 k = 0.4167 0.2406 0.4763 ( 1130 PWs) bands (ev): -68.4599 -68.4599 -36.9250 -36.9203 -24.8968 -24.8724 -24.7985 -24.7927 5.7419 5.9930 11.0620 11.1234 12.3292 12.5607 12.8525 12.9776 15.1786 15.5626 16.4384 16.8186 18.1088 18.3074 20.8889 21.3220 21.6447 21.8926 26.8446 26.8716 k = 0.4137 0.2388 0.4860 ( 1128 PWs) bands (ev): -68.4599 -68.4599 -36.9254 -36.9206 -24.8970 -24.8719 -24.8010 -24.7948 5.7611 6.0165 11.0259 11.0885 12.3919 12.6307 12.9024 13.0329 15.0950 15.4711 16.4215 16.8095 18.1516 18.3335 20.8157 21.2643 21.5945 21.8522 27.0051 27.0301 k = 0.4107 0.2371 0.4957 ( 1132 PWs) bands (ev): -68.4598 -68.4598 -36.9258 -36.9210 -24.8973 -24.8715 -24.8035 -24.7969 5.7797 6.0391 10.9899 11.0536 12.4575 12.7032 12.9533 13.0884 15.0110 15.3798 16.4071 16.8026 18.1930 18.3573 20.7419 21.2051 21.5430 21.8089 27.1664 27.1890 k = 0.4077 0.2354 0.5055 ( 1132 PWs) bands (ev): -68.4597 -68.4597 -36.9262 -36.9213 -24.8976 -24.8712 -24.8058 -24.7987 5.7978 6.0604 10.9543 11.0188 12.5260 12.7778 13.0056 13.1439 14.9270 15.2892 16.3951 16.7978 18.2323 18.3782 20.6685 21.1450 21.4906 21.7630 27.3280 27.3476 k = 0.4048 0.2337 0.5152 ( 1132 PWs) bands (ev): -68.4597 -68.4597 -36.9266 -36.9216 -24.8979 -24.8709 -24.8080 -24.8005 5.8152 6.0806 10.9190 10.9842 12.5969 12.8535 13.0598 13.1992 14.8432 15.1998 16.3857 16.7954 18.2689 18.3956 20.5961 21.0846 21.4375 21.7146 27.4893 27.5052 k = 0.4018 0.2320 0.5249 ( 1132 PWs) bands (ev): -68.4596 -68.4596 -36.9269 -36.9220 -24.8982 -24.8708 -24.8100 -24.8022 5.8318 6.0994 10.8842 10.9497 12.6700 12.9287 13.1173 13.2539 14.7601 15.1122 16.3791 16.7955 18.3020 18.4087 20.5257 21.0247 21.3840 21.6639 27.6494 27.6607 k = 0.3988 0.2303 0.5346 ( 1132 PWs) bands (ev): -68.4595 -68.4595 -36.9273 -36.9223 -24.8986 -24.8708 -24.8118 -24.8037 5.8475 6.1167 10.8498 10.9155 12.7448 13.0011 13.1798 13.3080 14.6779 15.0270 16.3753 16.7981 18.3308 18.4168 20.4583 20.9659 21.3305 21.6110 27.8072 27.8132 k = 0.3958 0.2285 0.5443 ( 1133 PWs) bands (ev): -68.4595 -68.4595 -36.9276 -36.9226 -24.8989 -24.8709 -24.8134 -24.8051 5.8623 6.1327 10.8158 10.8815 12.8205 13.0680 13.2497 13.3613 14.5968 14.9447 16.3746 16.8034 18.3543 18.4193 20.3952 20.9088 21.2776 21.5563 27.9612 27.9617 k = 0.3929 0.2268 0.5541 ( 1133 PWs) bands (ev): -68.4594 -68.4594 -36.9278 -36.9228 -24.8993 -24.8711 -24.8148 -24.8063 5.8762 6.1470 10.7823 10.8479 12.8965 13.1275 13.3285 13.4135 14.5174 14.8662 16.3770 16.8114 18.3716 18.4155 20.3374 20.8542 21.2259 21.5000 28.1031 28.1111 k = 0.3899 0.2251 0.5638 ( 1133 PWs) bands (ev): -68.4593 -68.4593 -36.9281 -36.9231 -24.8996 -24.8714 -24.8159 -24.8073 5.8889 6.1598 10.7494 10.8146 12.9717 13.1795 13.4154 13.4646 14.4400 14.7923 16.3827 16.8221 18.3818 18.4050 20.2863 20.8021 21.1762 21.4425 28.2366 28.2533 k = 0.3869 0.2234 0.5735 ( 1133 PWs) bands (ev): -68.4593 -68.4593 -36.9283 -36.9233 -24.9000 -24.8718 -24.8168 -24.8082 5.9006 6.1709 10.7169 10.7816 13.0448 13.2249 13.5089 13.5143 14.3653 14.7244 16.3918 16.8357 18.3841 18.3873 20.2428 20.7527 21.1296 21.3840 28.3590 28.3855 k = 0.3839 0.2217 0.5832 ( 1135 PWs) bands (ev): -68.4593 -68.4593 -36.9285 -36.9235 -24.9003 -24.8724 -24.8174 -24.8090 5.9111 6.1803 10.6850 10.7491 13.1143 13.2648 13.5622 13.6067 14.2942 14.6637 16.4043 16.8520 18.3622 18.3779 20.2080 20.7058 21.0871 21.3251 28.4670 28.5036 k = 0.3810 0.2199 0.5929 ( 1135 PWs) bands (ev): -68.4592 -68.4592 -36.9286 -36.9237 -24.9007 -24.8730 -24.8178 -24.8096 5.9204 6.1880 10.6536 10.7169 13.1786 13.2998 13.6079 13.7061 14.2285 14.6124 16.4203 16.8711 18.3299 18.3631 20.1825 20.6607 21.0502 21.2660 28.5568 28.6028 k = 0.3780 0.2182 0.6027 ( 1135 PWs) bands (ev): -68.4592 -68.4592 -36.9288 -36.9239 -24.9009 -24.8737 -24.8180 -24.8100 5.9284 6.1940 10.6227 10.6850 13.2357 13.3300 13.6502 13.8022 14.1726 14.5729 16.4398 16.8927 18.2907 18.3398 20.1663 20.6168 21.0201 21.2074 28.6255 28.6782 k = 0.3750 0.2165 0.6124 ( 1136 PWs) bands (ev): -68.4592 -68.4592 -36.9289 -36.9240 -24.9012 -24.8745 -24.8180 -24.8103 5.9352 6.1981 10.5923 10.6536 13.2842 13.3554 13.6874 13.8813 14.1399 14.5478 16.4625 16.9166 18.2453 18.3088 20.1594 20.5733 20.9980 21.1498 28.6717 28.7271 k = 0.6250-0.0722 0.4082 ( 1136 PWs) bands (ev): -68.4592 -68.4592 -36.9289 -36.9240 -24.9012 -24.8745 -24.8180 -24.8103 5.9352 6.1981 10.5923 10.6536 13.2842 13.3554 13.6874 13.8813 14.1399 14.5478 16.4625 16.9166 18.2453 18.3088 20.1594 20.5733 20.9980 21.1498 28.6717 28.7271 k = 0.6200-0.0808 0.4082 ( 1136 PWs) bands (ev): -68.4591 -68.4591 -36.9290 -36.9242 -24.9015 -24.8758 -24.8178 -24.8106 5.9451 6.2029 10.5418 10.6011 13.3554 13.3932 13.7439 13.9689 14.1383 14.5243 16.5035 16.9583 18.1655 18.2524 20.1525 20.4961 20.9698 21.0550 28.7304 28.7867 k = 0.6150-0.0895 0.4082 ( 1136 PWs) bands (ev): -68.4591 -68.4591 -36.9290 -36.9244 -24.9019 -24.8771 -24.8174 -24.8108 5.9544 6.2066 10.4915 10.5488 13.4222 13.4293 13.7976 14.0045 14.1945 14.5110 16.5445 16.9993 18.0887 18.2001 20.1398 20.4130 20.9430 20.9618 28.7881 28.8448 k = 0.6100-0.0981 0.4082 ( 1136 PWs) bands (ev): -68.4591 -68.4591 -36.9291 -36.9246 -24.9022 -24.8785 -24.8168 -24.8109 5.9632 6.2091 10.4418 10.4970 13.4633 13.4848 13.8472 14.0051 14.2908 14.5082 16.5856 17.0391 18.0157 18.1527 20.1210 20.3267 20.8704 20.9147 28.8444 28.9011 k = 0.6050-0.1068 0.4082 ( 1136 PWs) bands (ev): -68.4591 -68.4591 -36.9291 -36.9247 -24.9026 -24.8799 -24.8162 -24.8109 5.9715 6.2105 10.3928 10.4458 13.4949 13.5434 13.8915 14.0001 14.3972 14.5160 16.6266 17.0775 17.9476 18.1107 20.0957 20.2389 20.7809 20.8832 28.8989 28.9552 k = 0.6000-0.1155 0.4082 ( 1140 PWs) bands (ev): -68.4591 -68.4591 -36.9292 -36.9249 -24.9029 -24.8814 -24.8156 -24.8108 5.9794 6.2110 10.3447 10.3955 13.5240 13.5983 13.9299 13.9980 14.5042 14.5339 16.6676 17.1140 17.8854 18.0749 20.0637 20.1507 20.6935 20.8474 28.9514 29.0066 k = 0.5950-0.1241 0.4082 ( 1136 PWs) bands (ev): -68.4590 -68.4590 -36.9292 -36.9251 -24.9032 -24.8828 -24.8148 -24.8106 5.9868 6.2105 10.2978 10.3462 13.5507 13.6498 13.9626 14.0008 14.5603 14.6088 16.7089 17.1485 17.8302 18.0460 20.0254 20.0632 20.6083 20.8067 29.0016 29.0550 k = 0.5900-0.1328 0.4082 ( 1136 PWs) bands (ev): -68.4590 -68.4590 -36.9292 -36.9252 -24.9035 -24.8843 -24.8140 -24.8104 5.9939 6.2091 10.2521 10.2983 13.5750 13.6979 13.9903 14.0088 14.5933 14.7091 16.7504 17.1804 17.7834 18.0244 19.9767 19.9808 20.5249 20.7608 29.0490 29.1000 k = 0.5850-0.1415 0.4082 ( 1132 PWs) bands (ev): -68.4590 -68.4590 -36.9291 -36.9253 -24.9038 -24.8857 -24.8131 -24.8100 6.0008 6.2070 10.2080 10.2518 13.5973 13.7428 14.0144 14.0217 14.6305 14.8038 16.7922 17.2093 17.7460 18.0106 19.8919 19.9304 20.4433 20.7096 29.0934 29.1413 k = 0.5800-0.1501 0.4082 ( 1132 PWs) bands (ev): -68.4590 -68.4590 -36.9291 -36.9255 -24.9040 -24.8872 -24.8123 -24.8097 6.0073 6.2040 10.1656 10.2070 13.6182 13.7845 14.0361 14.0386 14.6697 14.8915 16.8345 17.2354 17.7190 18.0049 19.8093 19.8749 20.3631 20.6528 29.1345 29.1787 k = 0.5750-0.1588 0.4082 ( 1132 PWs) bands (ev): -68.4590 -68.4590 -36.9290 -36.9256 -24.9043 -24.8886 -24.8114 -24.8092 6.0136 6.2004 10.1250 10.1640 13.6381 13.8232 14.0565 14.0588 14.7089 14.9711 16.8774 17.2590 17.7028 18.0074 19.7295 19.8149 20.2838 20.5908 29.1722 29.2120 k = 0.5700-0.1674 0.4082 ( 1136 PWs) bands (ev): -68.4590 -68.4590 -36.9290 -36.9257 -24.9045 -24.8899 -24.8106 -24.8088 6.0197 6.1961 10.0864 10.1230 13.6575 13.8586 14.0762 14.0814 14.7467 15.0413 16.9209 17.2814 17.6970 18.0181 19.6528 19.7514 20.2052 20.5235 29.2061 29.2411 k = 0.5650-0.1761 0.4082 ( 1132 PWs) bands (ev): -68.4590 -68.4590 -36.9289 -36.9259 -24.9047 -24.8913 -24.8098 -24.8083 6.0257 6.1913 10.0500 10.0841 13.6770 13.8907 14.0960 14.1054 14.7822 15.1013 16.9651 17.3039 17.7007 18.0370 19.5799 19.6855 20.1270 20.4515 29.2363 29.2662 k = 0.5600-0.1848 0.4082 ( 1132 PWs) bands (ev): -68.4590 -68.4590 -36.9288 -36.9260 -24.9049 -24.8925 -24.8090 -24.8078 6.0316 6.1860 10.0159 10.0475 13.6969 13.9194 14.1161 14.1302 14.8148 15.1503 17.0101 17.3284 17.7124 18.0634 19.5113 19.6179 20.0488 20.3748 29.2627 29.2873 k = 0.5550-0.1934 0.4082 ( 1134 PWs) bands (ev): -68.4590 -68.4590 -36.9288 -36.9261 -24.9051 -24.8938 -24.8082 -24.8073 6.0374 6.1803 9.9842 10.0133 13.7174 13.9444 14.1364 14.1550 14.8443 15.1880 17.0557 17.3560 17.7307 18.0969 19.4476 19.5496 19.9707 20.2939 29.2853 29.3048 k = 0.5500-0.2021 0.4082 ( 1132 PWs) bands (ev): -68.4590 -68.4590 -36.9287 -36.9262 -24.9052 -24.8950 -24.8075 -24.8068 6.0432 6.1742 9.9551 9.9816 13.7386 13.9657 14.1571 14.1794 14.8708 15.2145 17.1017 17.3870 17.7546 18.1365 19.3896 19.4818 19.8928 20.2092 29.3044 29.3191 k = 0.5450-0.2107 0.4082 ( 1132 PWs) bands (ev): -68.4590 -68.4589 -36.9285 -36.9264 -24.9052 -24.8961 -24.8068 -24.8063 6.0490 6.1679 9.9285 9.9525 13.7606 13.9829 14.1779 14.2027 14.8948 15.2303 17.1478 17.4205 17.7838 18.1809 19.3379 19.4155 19.8154 20.1213 29.3202 29.3304 k = 0.5400-0.2194 0.4082 ( 1132 PWs) bands (ev): -68.4589 -68.4589 -36.9284 -36.9265 -24.9052 -24.8972 -24.8062 -24.8058 6.0549 6.1612 9.9047 9.9261 13.7831 13.9960 14.1985 14.2245 14.9168 15.2364 17.1939 17.4545 17.8186 18.2282 19.2934 19.3522 19.7390 20.0306 29.3329 29.3394 k = 0.5350-0.2281 0.4082 ( 1132 PWs) bands (ev): -68.4589 -68.4589 -36.9283 -36.9266 -24.9052 -24.8982 -24.8056 -24.8054 6.0608 6.1544 9.8837 9.9025 13.8062 14.0049 14.2186 14.2444 14.9375 15.2340 17.2394 17.4862 17.8598 18.2758 19.2566 19.2940 19.6644 19.9379 29.3428 29.3463 k = 0.5300-0.2367 0.4082 ( 1128 PWs) bands (ev): -68.4589 -68.4589 -36.9282 -36.9267 -24.9051 -24.8991 -24.8051 -24.8050 6.0669 6.1475 9.8656 9.8817 13.8296 14.0096 14.2377 14.2621 14.9576 15.2244 17.2840 17.5129 17.9080 18.3203 19.2285 19.2439 19.5922 19.8439 29.3504 29.3516 k = 0.5250-0.2454 0.4082 ( 1128 PWs) bands (ev): -68.4589 -68.4589 -36.9281 -36.9268 -24.9049 -24.9000 -24.8047 -24.8046 6.0730 6.1405 9.8503 9.8638 13.8531 14.0102 14.2554 14.2773 14.9776 15.2091 17.3272 17.5320 17.9635 18.3568 19.2057 19.2094 19.5235 19.7494 29.3557 29.3560 k = 0.5200-0.2540 0.4082 ( 1128 PWs) bands (ev): -68.4589 -68.4589 -36.9279 -36.9270 -24.9047 -24.9008 -24.8044 -24.8043 6.0792 6.1334 9.8380 9.8488 13.8763 14.0068 14.2712 14.2896 14.9982 15.1895 17.3685 17.5424 18.0251 18.3799 19.1843 19.1999 19.4592 19.6556 29.3587 29.3599 k = 0.5150-0.2627 0.4082 ( 1124 PWs) bands (ev): -68.4589 -68.4589 -36.9278 -36.9271 -24.9045 -24.9015 -24.8041 -24.8041 6.0856 6.1264 9.8288 9.8369 13.8989 13.9996 14.2845 14.2989 15.0197 15.1668 17.4073 17.5440 18.0910 18.3847 19.1840 19.2000 19.4006 19.5638 29.3610 29.3624 k = 0.5100-0.2714 0.4082 ( 1126 PWs) bands (ev): -68.4589 -68.4589 -36.9277 -36.9272 -24.9041 -24.9022 -24.8039 -24.8039 6.0921 6.1194 9.8225 9.8279 13.9205 13.9891 14.2951 14.3050 15.0424 15.1422 17.4428 17.5370 18.1583 18.3687 19.2057 19.2097 19.3490 19.4757 29.3627 29.3639 k = 0.5050-0.2800 0.4082 ( 1130 PWs) bands (ev): -68.4589 -68.4589 -36.9276 -36.9273 -24.9038 -24.9028 -24.8038 -24.8038 6.0988 6.1124 9.8193 9.8220 13.9408 13.9755 14.3026 14.3076 15.0664 15.1168 17.4743 17.5223 18.2237 18.3336 19.2282 19.2438 19.3097 19.3942 29.3638 29.3645 k = 0.5000-0.2887 0.4082 ( 1138 PWs) bands (ev): -68.4590 -68.4590 -36.9275 -36.9275 -24.9033 -24.9033 -24.8038 -24.8038 6.1055 6.1055 9.8191 9.8191 13.9592 13.9592 14.3068 14.3068 15.0913 15.0913 17.5010 17.5010 18.2836 18.2836 19.2518 19.2518 19.3254 19.3254 29.3644 29.3644 Writing output data file OsC.save init_run : 3.00s CPU 13.01s WALL ( 1 calls) electrons : 121.55s CPU 125.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.34s CPU 1.19s WALL ( 1 calls) Called by electrons: c_bands : 121.53s CPU 125.65s WALL ( 1 calls) v_of_rho : 0.15s CPU 0.75s WALL ( 1 calls) v_h : 0.03s CPU 0.07s WALL ( 1 calls) v_xc : 0.11s CPU 0.44s WALL ( 1 calls) newd : 0.16s CPU 0.51s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.09s WALL ( 455 calls) cegterg : 94.58s CPU 95.61s WALL ( 455 calls) Called by sum_band: Called by *egterg: h_psi : 46.92s CPU 51.25s WALL ( 7039 calls) s_psi : 2.54s CPU 3.20s WALL ( 7039 calls) g_psi : 0.03s CPU 0.09s WALL ( 6129 calls) cdiaghg : 33.80s CPU 32.59s WALL ( 6584 calls) cegterg:over : 8.92s CPU 7.47s WALL ( 6129 calls) cegterg:upda : 0.20s CPU 0.88s WALL ( 6129 calls) cegterg:last : 0.25s CPU 0.71s WALL ( 1365 calls) Called by h_psi: h_psi:vloc : 40.62s CPU 44.28s WALL ( 7039 calls) h_psi:vnl : 6.27s CPU 6.50s WALL ( 7039 calls) add_vuspsi : 0.67s CPU 2.16s WALL ( 7039 calls) General routines calbec : 5.59s CPU 4.29s WALL ( 7039 calls) fft : 0.24s CPU 1.37s WALL ( 19 calls) ffts : 0.02s CPU 0.05s WALL ( 4 calls) fftw : 38.72s CPU 42.36s WALL ( 509096 calls) interpolate : 0.10s CPU 0.15s WALL ( 4 calls) davcio : 0.01s CPU 0.65s WALL ( 910 calls) Parallel routines fft_scatter : 26.59s CPU 29.27s WALL ( 509119 calls) PWSCF : 2m35.18s CPU 3m36.81s WALL This run was terminated on: 16:58:50 27Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=