Program PWSCF v.5.1.1 starts on 26Aug2015 at 15: 0:37 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: ./ReN.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 11 3 324 176 29 Max 18 12 4 328 187 33 Sum 823 559 163 15593 8657 1459 bravais-lattice index = 14 lattice parameter (alat) = 6.1066 a.u. unit-cell volume = 161.0220 (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 = 54.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.106608 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 Re read from file: /home/autes/Pseudo/Re.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 151eeb7d95de718c8ba0a4937714e2a1 Pseudo is Ultrasoft + core correction, Zval = 15.0 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 N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Re 15.00 186.20700 Re( 1.00) N 5.00 14.00670 N( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 457 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 2) = ( 0.0072464 -0.0041837 0.0059166), wk = 0.0021882 k( 3) = ( 0.0144928 -0.0083674 0.0118333), wk = 0.0021882 k( 4) = ( 0.0217391 -0.0125511 0.0177499), wk = 0.0021882 k( 5) = ( 0.0289855 -0.0167348 0.0236666), wk = 0.0021882 k( 6) = ( 0.0362319 -0.0209185 0.0295832), wk = 0.0021882 k( 7) = ( 0.0434783 -0.0251022 0.0354999), wk = 0.0021882 k( 8) = ( 0.0507246 -0.0292859 0.0414165), wk = 0.0021882 k( 9) = ( 0.0579710 -0.0334696 0.0473331), wk = 0.0021882 k( 10) = ( 0.0652174 -0.0376533 0.0532498), wk = 0.0021882 k( 11) = ( 0.0724638 -0.0418370 0.0591664), wk = 0.0021882 k( 12) = ( 0.0797101 -0.0460207 0.0650831), wk = 0.0021882 k( 13) = ( 0.0869565 -0.0502044 0.0709997), wk = 0.0021882 k( 14) = ( 0.0942029 -0.0543881 0.0769163), wk = 0.0021882 k( 15) = ( 0.1014493 -0.0585718 0.0828330), wk = 0.0021882 k( 16) = ( 0.1086957 -0.0627555 0.0887496), wk = 0.0021882 k( 17) = ( 0.1159420 -0.0669392 0.0946663), wk = 0.0021882 k( 18) = ( 0.1231884 -0.0711229 0.1005829), wk = 0.0021882 k( 19) = ( 0.1304348 -0.0753066 0.1064996), wk = 0.0021882 k( 20) = ( 0.1376812 -0.0794903 0.1124162), wk = 0.0021882 k( 21) = ( 0.1449275 -0.0836740 0.1183328), wk = 0.0021882 k( 22) = ( 0.1521739 -0.0878576 0.1242495), wk = 0.0021882 k( 23) = ( 0.1594203 -0.0920413 0.1301661), wk = 0.0021882 k( 24) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0021882 k( 25) = ( 0.1739130 -0.1004087 0.1419994), wk = 0.0021882 k( 26) = ( 0.1811594 -0.1045924 0.1479160), wk = 0.0021882 k( 27) = ( 0.1884058 -0.1087761 0.1538327), wk = 0.0021882 k( 28) = ( 0.1956522 -0.1129598 0.1597493), wk = 0.0021882 k( 29) = ( 0.2028986 -0.1171435 0.1656660), wk = 0.0021882 k( 30) = ( 0.2101449 -0.1213272 0.1715826), wk = 0.0021882 k( 31) = ( 0.2173913 -0.1255109 0.1774993), wk = 0.0021882 k( 32) = ( 0.2246377 -0.1296946 0.1834159), wk = 0.0021882 k( 33) = ( 0.2318841 -0.1338783 0.1893325), wk = 0.0021882 k( 34) = ( 0.2391304 -0.1380620 0.1952492), wk = 0.0021882 k( 35) = ( 0.2463768 -0.1422457 0.2011658), wk = 0.0021882 k( 36) = ( 0.2536232 -0.1464294 0.2070825), wk = 0.0021882 k( 37) = ( 0.2608696 -0.1506131 0.2129991), wk = 0.0021882 k( 38) = ( 0.2681159 -0.1547968 0.2189157), wk = 0.0021882 k( 39) = ( 0.2753623 -0.1589805 0.2248324), wk = 0.0021882 k( 40) = ( 0.2826087 -0.1631642 0.2307490), wk = 0.0021882 k( 41) = ( 0.2898551 -0.1673479 0.2366657), wk = 0.0021882 k( 42) = ( 0.2971014 -0.1715316 0.2425823), wk = 0.0021882 k( 43) = ( 0.3043478 -0.1757153 0.2484990), wk = 0.0021882 k( 44) = ( 0.3115942 -0.1798990 0.2544156), wk = 0.0021882 k( 45) = ( 0.3188406 -0.1840827 0.2603322), wk = 0.0021882 k( 46) = ( 0.3260870 -0.1882664 0.2662489), wk = 0.0021882 k( 47) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0021882 k( 48) = ( 0.3405797 -0.1966338 0.2780822), wk = 0.0021882 k( 49) = ( 0.3478261 -0.2008175 0.2839988), wk = 0.0021882 k( 50) = ( 0.3550725 -0.2050012 0.2899154), wk = 0.0021882 k( 51) = ( 0.3623188 -0.2091849 0.2958321), wk = 0.0021882 k( 52) = ( 0.3695652 -0.2133686 0.3017487), wk = 0.0021882 k( 53) = ( 0.3768116 -0.2175523 0.3076654), wk = 0.0021882 k( 54) = ( 0.3840580 -0.2217360 0.3135820), wk = 0.0021882 k( 55) = ( 0.3913044 -0.2259197 0.3194987), wk = 0.0021882 k( 56) = ( 0.3985507 -0.2301034 0.3254153), wk = 0.0021882 k( 57) = ( 0.4057971 -0.2342871 0.3313319), wk = 0.0021882 k( 58) = ( 0.4130435 -0.2384708 0.3372486), wk = 0.0021882 k( 59) = ( 0.4202899 -0.2426545 0.3431652), wk = 0.0021882 k( 60) = ( 0.4275362 -0.2468382 0.3490819), wk = 0.0021882 k( 61) = ( 0.4347826 -0.2510219 0.3549985), wk = 0.0021882 k( 62) = ( 0.4420290 -0.2552056 0.3609152), wk = 0.0021882 k( 63) = ( 0.4492754 -0.2593893 0.3668318), wk = 0.0021882 k( 64) = ( 0.4565217 -0.2635729 0.3727484), wk = 0.0021882 k( 65) = ( 0.4637681 -0.2677566 0.3786651), wk = 0.0021882 k( 66) = ( 0.4710145 -0.2719403 0.3845817), wk = 0.0021882 k( 67) = ( 0.4782609 -0.2761240 0.3904984), wk = 0.0021882 k( 68) = ( 0.4855073 -0.2803077 0.3964150), wk = 0.0021882 k( 69) = ( 0.4927536 -0.2844914 0.4023316), wk = 0.0021882 k( 70) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021882 k( 71) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021882 k( 72) = ( 0.5000000 -0.2804273 0.4140804), wk = 0.0021882 k( 73) = ( 0.5000000 -0.2721794 0.4199125), wk = 0.0021882 k( 74) = ( 0.5000000 -0.2639316 0.4257446), wk = 0.0021882 k( 75) = ( 0.5000000 -0.2556837 0.4315768), wk = 0.0021882 k( 76) = ( 0.5000000 -0.2474358 0.4374089), wk = 0.0021882 k( 77) = ( 0.5000000 -0.2391880 0.4432410), wk = 0.0021882 k( 78) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0021882 k( 79) = ( 0.5000000 -0.2226922 0.4549052), wk = 0.0021882 k( 80) = ( 0.5000000 -0.2144444 0.4607374), wk = 0.0021882 k( 81) = ( 0.5000000 -0.2061965 0.4665695), wk = 0.0021882 k( 82) = ( 0.5000000 -0.1979487 0.4724016), wk = 0.0021882 k( 83) = ( 0.5000000 -0.1897008 0.4782337), wk = 0.0021882 k( 84) = ( 0.5000000 -0.1814529 0.4840658), wk = 0.0021882 k( 85) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0021882 k( 86) = ( 0.5000000 -0.1649572 0.4957301), wk = 0.0021882 k( 87) = ( 0.5000000 -0.1567094 0.5015622), wk = 0.0021882 k( 88) = ( 0.5000000 -0.1484615 0.5073943), wk = 0.0021882 k( 89) = ( 0.5000000 -0.1402136 0.5132264), wk = 0.0021882 k( 90) = ( 0.5000000 -0.1319658 0.5190585), wk = 0.0021882 k( 91) = ( 0.5000000 -0.1237179 0.5248907), wk = 0.0021882 k( 92) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0021882 k( 93) = ( 0.5000000 -0.1072222 0.5365549), wk = 0.0021882 k( 94) = ( 0.5000000 -0.0989743 0.5423870), wk = 0.0021882 k( 95) = ( 0.5000000 -0.0907265 0.5482191), wk = 0.0021882 k( 96) = ( 0.5000000 -0.0824786 0.5540513), wk = 0.0021882 k( 97) = ( 0.5000000 -0.0742307 0.5598834), wk = 0.0021882 k( 98) = ( 0.5000000 -0.0659829 0.5657155), wk = 0.0021882 k( 99) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0021882 k( 100) = ( 0.5000000 -0.0494872 0.5773797), wk = 0.0021882 k( 101) = ( 0.5000000 -0.0412393 0.5832118), wk = 0.0021882 k( 102) = ( 0.5000000 -0.0329914 0.5890440), wk = 0.0021882 k( 103) = ( 0.5000000 -0.0247436 0.5948761), wk = 0.0021882 k( 104) = ( 0.5000000 -0.0164957 0.6007082), wk = 0.0021882 k( 105) = ( 0.5000000 -0.0082479 0.6065403), wk = 0.0021882 k( 106) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021882 k( 107) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021882 k( 108) = ( 0.4950000 0.0086603 0.6123724), wk = 0.0021882 k( 109) = ( 0.4900000 0.0173205 0.6123724), wk = 0.0021882 k( 110) = ( 0.4850000 0.0259808 0.6123724), wk = 0.0021882 k( 111) = ( 0.4800000 0.0346410 0.6123724), wk = 0.0021882 k( 112) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0021882 k( 113) = ( 0.4700000 0.0519615 0.6123724), wk = 0.0021882 k( 114) = ( 0.4650000 0.0606218 0.6123724), wk = 0.0021882 k( 115) = ( 0.4600000 0.0692820 0.6123724), wk = 0.0021882 k( 116) = ( 0.4550000 0.0779423 0.6123724), wk = 0.0021882 k( 117) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0021882 k( 118) = ( 0.4450000 0.0952628 0.6123724), wk = 0.0021882 k( 119) = ( 0.4400000 0.1039230 0.6123724), wk = 0.0021882 k( 120) = ( 0.4350000 0.1125833 0.6123724), wk = 0.0021882 k( 121) = ( 0.4300000 0.1212436 0.6123724), wk = 0.0021882 k( 122) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0021882 k( 123) = ( 0.4200000 0.1385641 0.6123724), wk = 0.0021882 k( 124) = ( 0.4150000 0.1472243 0.6123724), wk = 0.0021882 k( 125) = ( 0.4100000 0.1558846 0.6123724), wk = 0.0021882 k( 126) = ( 0.4050000 0.1645448 0.6123724), wk = 0.0021882 k( 127) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0021882 k( 128) = ( 0.3950000 0.1818653 0.6123724), wk = 0.0021882 k( 129) = ( 0.3900000 0.1905256 0.6123724), wk = 0.0021882 k( 130) = ( 0.3850000 0.1991858 0.6123724), wk = 0.0021882 k( 131) = ( 0.3800000 0.2078461 0.6123724), wk = 0.0021882 k( 132) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021882 k( 133) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021882 k( 134) = ( 0.3698630 0.2135405 0.6039838), wk = 0.0021882 k( 135) = ( 0.3647260 0.2105747 0.5955951), wk = 0.0021882 k( 136) = ( 0.3595890 0.2076088 0.5872064), wk = 0.0021882 k( 137) = ( 0.3544521 0.2046430 0.5788178), wk = 0.0021882 k( 138) = ( 0.3493151 0.2016771 0.5704291), wk = 0.0021882 k( 139) = ( 0.3441781 0.1987113 0.5620405), wk = 0.0021882 k( 140) = ( 0.3390411 0.1957455 0.5536518), wk = 0.0021882 k( 141) = ( 0.3339041 0.1927796 0.5452631), wk = 0.0021882 k( 142) = ( 0.3287671 0.1898138 0.5368745), wk = 0.0021882 k( 143) = ( 0.3236301 0.1868479 0.5284858), wk = 0.0021882 k( 144) = ( 0.3184932 0.1838821 0.5200971), wk = 0.0021882 k( 145) = ( 0.3133562 0.1809163 0.5117085), wk = 0.0021882 k( 146) = ( 0.3082192 0.1779504 0.5033198), wk = 0.0021882 k( 147) = ( 0.3030822 0.1749846 0.4949311), wk = 0.0021882 k( 148) = ( 0.2979452 0.1720187 0.4865425), wk = 0.0021882 k( 149) = ( 0.2928082 0.1690529 0.4781538), wk = 0.0021882 k( 150) = ( 0.2876712 0.1660871 0.4697652), wk = 0.0021882 k( 151) = ( 0.2825342 0.1631212 0.4613765), wk = 0.0021882 k( 152) = ( 0.2773973 0.1601554 0.4529878), wk = 0.0021882 k( 153) = ( 0.2722603 0.1571895 0.4445992), wk = 0.0021882 k( 154) = ( 0.2671233 0.1542237 0.4362105), wk = 0.0021882 k( 155) = ( 0.2619863 0.1512579 0.4278218), wk = 0.0021882 k( 156) = ( 0.2568493 0.1482920 0.4194332), wk = 0.0021882 k( 157) = ( 0.2517123 0.1453262 0.4110445), wk = 0.0021882 k( 158) = ( 0.2465753 0.1423603 0.4026558), wk = 0.0021882 k( 159) = ( 0.2414384 0.1393945 0.3942672), wk = 0.0021882 k( 160) = ( 0.2363014 0.1364287 0.3858785), wk = 0.0021882 k( 161) = ( 0.2311644 0.1334628 0.3774899), wk = 0.0021882 k( 162) = ( 0.2260274 0.1304970 0.3691012), wk = 0.0021882 k( 163) = ( 0.2208904 0.1275311 0.3607125), wk = 0.0021882 k( 164) = ( 0.2157534 0.1245653 0.3523239), wk = 0.0021882 k( 165) = ( 0.2106164 0.1215995 0.3439352), wk = 0.0021882 k( 166) = ( 0.2054795 0.1186336 0.3355465), wk = 0.0021882 k( 167) = ( 0.2003425 0.1156678 0.3271579), wk = 0.0021882 k( 168) = ( 0.1952055 0.1127019 0.3187692), wk = 0.0021882 k( 169) = ( 0.1900685 0.1097361 0.3103806), wk = 0.0021882 k( 170) = ( 0.1849315 0.1067703 0.3019919), wk = 0.0021882 k( 171) = ( 0.1797945 0.1038044 0.2936032), wk = 0.0021882 k( 172) = ( 0.1746575 0.1008386 0.2852146), wk = 0.0021882 k( 173) = ( 0.1695205 0.0978727 0.2768259), wk = 0.0021882 k( 174) = ( 0.1643836 0.0949069 0.2684372), wk = 0.0021882 k( 175) = ( 0.1592466 0.0919411 0.2600486), wk = 0.0021882 k( 176) = ( 0.1541096 0.0889752 0.2516599), wk = 0.0021882 k( 177) = ( 0.1489726 0.0860094 0.2432712), wk = 0.0021882 k( 178) = ( 0.1438356 0.0830435 0.2348826), wk = 0.0021882 k( 179) = ( 0.1386986 0.0800777 0.2264939), wk = 0.0021882 k( 180) = ( 0.1335616 0.0771118 0.2181053), wk = 0.0021882 k( 181) = ( 0.1284247 0.0741460 0.2097166), wk = 0.0021882 k( 182) = ( 0.1232877 0.0711802 0.2013279), wk = 0.0021882 k( 183) = ( 0.1181507 0.0682143 0.1929393), wk = 0.0021882 k( 184) = ( 0.1130137 0.0652485 0.1845506), wk = 0.0021882 k( 185) = ( 0.1078767 0.0622826 0.1761619), wk = 0.0021882 k( 186) = ( 0.1027397 0.0593168 0.1677733), wk = 0.0021882 k( 187) = ( 0.0976027 0.0563510 0.1593846), wk = 0.0021882 k( 188) = ( 0.0924657 0.0533851 0.1509959), wk = 0.0021882 k( 189) = ( 0.0873288 0.0504193 0.1426073), wk = 0.0021882 k( 190) = ( 0.0821918 0.0474534 0.1342186), wk = 0.0021882 k( 191) = ( 0.0770548 0.0444876 0.1258300), wk = 0.0021882 k( 192) = ( 0.0719178 0.0415218 0.1174413), wk = 0.0021882 k( 193) = ( 0.0667808 0.0385559 0.1090526), wk = 0.0021882 k( 194) = ( 0.0616438 0.0355901 0.1006640), wk = 0.0021882 k( 195) = ( 0.0565068 0.0326242 0.0922753), wk = 0.0021882 k( 196) = ( 0.0513699 0.0296584 0.0838866), wk = 0.0021882 k( 197) = ( 0.0462329 0.0266926 0.0754980), wk = 0.0021882 k( 198) = ( 0.0410959 0.0237267 0.0671093), wk = 0.0021882 k( 199) = ( 0.0359589 0.0207609 0.0587207), wk = 0.0021882 k( 200) = ( 0.0308219 0.0177950 0.0503320), wk = 0.0021882 k( 201) = ( 0.0256849 0.0148292 0.0419433), wk = 0.0021882 k( 202) = ( 0.0205479 0.0118634 0.0335546), wk = 0.0021882 k( 203) = ( 0.0154110 0.0088975 0.0251660), wk = 0.0021882 k( 204) = ( 0.0102740 0.0059317 0.0167773), wk = 0.0021882 k( 205) = ( 0.0051370 0.0029658 0.0083887), wk = 0.0021882 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 208) = ( 0.0083333 0.0048113 0.0034021), wk = 0.0021882 k( 209) = ( 0.0166667 0.0096225 0.0068041), wk = 0.0021882 k( 210) = ( 0.0250000 0.0144338 0.0102062), wk = 0.0021882 k( 211) = ( 0.0333333 0.0192450 0.0136083), wk = 0.0021882 k( 212) = ( 0.0416667 0.0240563 0.0170103), wk = 0.0021882 k( 213) = ( 0.0500000 0.0288675 0.0204124), wk = 0.0021882 k( 214) = ( 0.0583333 0.0336788 0.0238145), wk = 0.0021882 k( 215) = ( 0.0666667 0.0384900 0.0272166), wk = 0.0021882 k( 216) = ( 0.0750000 0.0433013 0.0306186), wk = 0.0021882 k( 217) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0021882 k( 218) = ( 0.0916667 0.0529238 0.0374228), wk = 0.0021882 k( 219) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0021882 k( 220) = ( 0.1083333 0.0625463 0.0442269), wk = 0.0021882 k( 221) = ( 0.1166667 0.0673575 0.0476290), wk = 0.0021882 k( 222) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0021882 k( 223) = ( 0.1333333 0.0769800 0.0544331), wk = 0.0021882 k( 224) = ( 0.1416667 0.0817913 0.0578352), wk = 0.0021882 k( 225) = ( 0.1500000 0.0866025 0.0612372), wk = 0.0021882 k( 226) = ( 0.1583333 0.0914138 0.0646393), wk = 0.0021882 k( 227) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0021882 k( 228) = ( 0.1750000 0.1010363 0.0714435), wk = 0.0021882 k( 229) = ( 0.1833333 0.1058475 0.0748455), wk = 0.0021882 k( 230) = ( 0.1916667 0.1106588 0.0782476), wk = 0.0021882 k( 231) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0021882 k( 232) = ( 0.2083333 0.1202813 0.0850517), wk = 0.0021882 k( 233) = ( 0.2166667 0.1250926 0.0884538), wk = 0.0021882 k( 234) = ( 0.2250000 0.1299038 0.0918559), wk = 0.0021882 k( 235) = ( 0.2333333 0.1347151 0.0952579), wk = 0.0021882 k( 236) = ( 0.2416667 0.1395263 0.0986600), wk = 0.0021882 k( 237) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0021882 k( 238) = ( 0.2583333 0.1491488 0.1054641), wk = 0.0021882 k( 239) = ( 0.2666667 0.1539601 0.1088662), wk = 0.0021882 k( 240) = ( 0.2750000 0.1587713 0.1122683), wk = 0.0021882 k( 241) = ( 0.2833333 0.1635826 0.1156703), wk = 0.0021882 k( 242) = ( 0.2916667 0.1683938 0.1190724), wk = 0.0021882 k( 243) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0021882 k( 244) = ( 0.3083333 0.1780163 0.1258766), wk = 0.0021882 k( 245) = ( 0.3166667 0.1828276 0.1292786), wk = 0.0021882 k( 246) = ( 0.3250000 0.1876388 0.1326807), wk = 0.0021882 k( 247) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0021882 k( 248) = ( 0.3416667 0.1972613 0.1394848), wk = 0.0021882 k( 249) = ( 0.3500000 0.2020726 0.1428869), wk = 0.0021882 k( 250) = ( 0.3583333 0.2068838 0.1462890), wk = 0.0021882 k( 251) = ( 0.3666667 0.2116951 0.1496910), wk = 0.0021882 k( 252) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0021882 k( 253) = ( 0.3833333 0.2213176 0.1564952), wk = 0.0021882 k( 254) = ( 0.3916667 0.2261289 0.1598972), wk = 0.0021882 k( 255) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0021882 k( 256) = ( 0.4083333 0.2357514 0.1667014), wk = 0.0021882 k( 257) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0021882 k( 258) = ( 0.4250000 0.2453739 0.1735055), wk = 0.0021882 k( 259) = ( 0.4333333 0.2501851 0.1769076), wk = 0.0021882 k( 260) = ( 0.4416667 0.2549964 0.1803097), wk = 0.0021882 k( 261) = ( 0.4500000 0.2598076 0.1837117), wk = 0.0021882 k( 262) = ( 0.4583333 0.2646189 0.1871138), wk = 0.0021882 k( 263) = ( 0.4666667 0.2694301 0.1905159), wk = 0.0021882 k( 264) = ( 0.4750000 0.2742414 0.1939179), wk = 0.0021882 k( 265) = ( 0.4833333 0.2790526 0.1973200), wk = 0.0021882 k( 266) = ( 0.4916667 0.2838639 0.2007221), wk = 0.0021882 k( 267) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021882 k( 268) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021882 k( 269) = ( 0.5029070 0.2802834 0.2088712), wk = 0.0021882 k( 270) = ( 0.5058139 0.2718917 0.2136183), wk = 0.0021882 k( 271) = ( 0.5087209 0.2635000 0.2183654), wk = 0.0021882 k( 272) = ( 0.5116279 0.2551083 0.2231124), wk = 0.0021882 k( 273) = ( 0.5145349 0.2467165 0.2278595), wk = 0.0021882 k( 274) = ( 0.5174419 0.2383248 0.2326066), wk = 0.0021882 k( 275) = ( 0.5203488 0.2299331 0.2373537), wk = 0.0021882 k( 276) = ( 0.5232558 0.2215414 0.2421007), wk = 0.0021882 k( 277) = ( 0.5261628 0.2131497 0.2468478), wk = 0.0021882 k( 278) = ( 0.5290698 0.2047579 0.2515949), wk = 0.0021882 k( 279) = ( 0.5319767 0.1963662 0.2563419), wk = 0.0021882 k( 280) = ( 0.5348837 0.1879745 0.2610890), wk = 0.0021882 k( 281) = ( 0.5377907 0.1795828 0.2658361), wk = 0.0021882 k( 282) = ( 0.5406977 0.1711911 0.2705832), wk = 0.0021882 k( 283) = ( 0.5436047 0.1627994 0.2753302), wk = 0.0021882 k( 284) = ( 0.5465116 0.1544076 0.2800773), wk = 0.0021882 k( 285) = ( 0.5494186 0.1460159 0.2848244), wk = 0.0021882 k( 286) = ( 0.5523256 0.1376242 0.2895715), wk = 0.0021882 k( 287) = ( 0.5552326 0.1292325 0.2943185), wk = 0.0021882 k( 288) = ( 0.5581395 0.1208408 0.2990656), wk = 0.0021882 k( 289) = ( 0.5610465 0.1124490 0.3038127), wk = 0.0021882 k( 290) = ( 0.5639535 0.1040573 0.3085598), wk = 0.0021882 k( 291) = ( 0.5668605 0.0956656 0.3133068), wk = 0.0021882 k( 292) = ( 0.5697674 0.0872739 0.3180539), wk = 0.0021882 k( 293) = ( 0.5726744 0.0788822 0.3228010), wk = 0.0021882 k( 294) = ( 0.5755814 0.0704904 0.3275481), wk = 0.0021882 k( 295) = ( 0.5784884 0.0620987 0.3322951), wk = 0.0021882 k( 296) = ( 0.5813953 0.0537070 0.3370422), wk = 0.0021882 k( 297) = ( 0.5843023 0.0453153 0.3417893), wk = 0.0021882 k( 298) = ( 0.5872093 0.0369236 0.3465363), wk = 0.0021882 k( 299) = ( 0.5901163 0.0285318 0.3512834), wk = 0.0021882 k( 300) = ( 0.5930233 0.0201401 0.3560305), wk = 0.0021882 k( 301) = ( 0.5959302 0.0117484 0.3607776), wk = 0.0021882 k( 302) = ( 0.5988372 0.0033567 0.3655246), wk = 0.0021882 k( 303) = ( 0.6017442 -0.0050350 0.3702717), wk = 0.0021882 k( 304) = ( 0.6046512 -0.0134268 0.3750188), wk = 0.0021882 k( 305) = ( 0.6075581 -0.0218185 0.3797659), wk = 0.0021882 k( 306) = ( 0.6104651 -0.0302102 0.3845129), wk = 0.0021882 k( 307) = ( 0.6133721 -0.0386019 0.3892600), wk = 0.0021882 k( 308) = ( 0.6162791 -0.0469936 0.3940071), wk = 0.0021882 k( 309) = ( 0.6191861 -0.0553853 0.3987541), wk = 0.0021882 k( 310) = ( 0.6220930 -0.0637771 0.4035012), wk = 0.0021882 k( 311) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021882 k( 312) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021882 k( 313) = ( 0.6200000 -0.0692820 0.4164133), wk = 0.0021882 k( 314) = ( 0.6150000 -0.0663953 0.4245782), wk = 0.0021882 k( 315) = ( 0.6100000 -0.0635085 0.4327432), wk = 0.0021882 k( 316) = ( 0.6050000 -0.0606218 0.4409082), wk = 0.0021882 k( 317) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0021882 k( 318) = ( 0.5950000 -0.0548483 0.4572381), wk = 0.0021882 k( 319) = ( 0.5900000 -0.0519615 0.4654031), wk = 0.0021882 k( 320) = ( 0.5850000 -0.0490748 0.4735680), wk = 0.0021882 k( 321) = ( 0.5800000 -0.0461880 0.4817330), wk = 0.0021882 k( 322) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0021882 k( 323) = ( 0.5700000 -0.0404145 0.4980629), wk = 0.0021882 k( 324) = ( 0.5650000 -0.0375278 0.5062279), wk = 0.0021882 k( 325) = ( 0.5600000 -0.0346410 0.5143928), wk = 0.0021882 k( 326) = ( 0.5550000 -0.0317543 0.5225578), wk = 0.0021882 k( 327) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0021882 k( 328) = ( 0.5450000 -0.0259808 0.5388877), wk = 0.0021882 k( 329) = ( 0.5400000 -0.0230940 0.5470527), wk = 0.0021882 k( 330) = ( 0.5350000 -0.0202073 0.5552177), wk = 0.0021882 k( 331) = ( 0.5300000 -0.0173205 0.5633826), wk = 0.0021882 k( 332) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0021882 k( 333) = ( 0.5200000 -0.0115470 0.5797126), wk = 0.0021882 k( 334) = ( 0.5150000 -0.0086603 0.5878775), wk = 0.0021882 k( 335) = ( 0.5100000 -0.0057735 0.5960425), wk = 0.0021882 k( 336) = ( 0.5050000 -0.0028868 0.6042075), wk = 0.0021882 k( 337) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021882 k( 338) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0021882 k( 339) = ( 0.5000000 0.0058913 0.6040408), wk = 0.0021882 k( 340) = ( 0.5000000 0.0117827 0.5957092), wk = 0.0021882 k( 341) = ( 0.5000000 0.0176740 0.5873776), wk = 0.0021882 k( 342) = ( 0.5000000 0.0235653 0.5790460), wk = 0.0021882 k( 343) = ( 0.5000000 0.0294566 0.5707145), wk = 0.0021882 k( 344) = ( 0.5000000 0.0353480 0.5623829), wk = 0.0021882 k( 345) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0021882 k( 346) = ( 0.5000000 0.0471306 0.5457196), wk = 0.0021882 k( 347) = ( 0.5000000 0.0530220 0.5373881), wk = 0.0021882 k( 348) = ( 0.5000000 0.0589133 0.5290565), wk = 0.0021882 k( 349) = ( 0.5000000 0.0648046 0.5207249), wk = 0.0021882 k( 350) = ( 0.5000000 0.0706960 0.5123933), wk = 0.0021882 k( 351) = ( 0.5000000 0.0765873 0.5040617), wk = 0.0021882 k( 352) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0021882 k( 353) = ( 0.5000000 0.0883699 0.4873985), wk = 0.0021882 k( 354) = ( 0.5000000 0.0942613 0.4790669), wk = 0.0021882 k( 355) = ( 0.5000000 0.1001526 0.4707353), wk = 0.0021882 k( 356) = ( 0.5000000 0.1060439 0.4624037), wk = 0.0021882 k( 357) = ( 0.5000000 0.1119353 0.4540721), wk = 0.0021882 k( 358) = ( 0.5000000 0.1178266 0.4457405), wk = 0.0021882 k( 359) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0021882 k( 360) = ( 0.5000000 0.1296092 0.4290773), wk = 0.0021882 k( 361) = ( 0.5000000 0.1355006 0.4207457), wk = 0.0021882 k( 362) = ( 0.5000000 0.1413919 0.4124141), wk = 0.0021882 k( 363) = ( 0.5000000 0.1472832 0.4040825), wk = 0.0021882 k( 364) = ( 0.5000000 0.1531746 0.3957509), wk = 0.0021882 k( 365) = ( 0.5000000 0.1590659 0.3874193), wk = 0.0021882 k( 366) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0021882 k( 367) = ( 0.5000000 0.1708485 0.3707561), wk = 0.0021882 k( 368) = ( 0.5000000 0.1767399 0.3624245), wk = 0.0021882 k( 369) = ( 0.5000000 0.1826312 0.3540929), wk = 0.0021882 k( 370) = ( 0.5000000 0.1885225 0.3457613), wk = 0.0021882 k( 371) = ( 0.5000000 0.1944139 0.3374297), wk = 0.0021882 k( 372) = ( 0.5000000 0.2003052 0.3290981), wk = 0.0021882 k( 373) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0021882 k( 374) = ( 0.5000000 0.2120879 0.3124349), wk = 0.0021882 k( 375) = ( 0.5000000 0.2179792 0.3041033), wk = 0.0021882 k( 376) = ( 0.5000000 0.2238705 0.2957717), wk = 0.0021882 k( 377) = ( 0.5000000 0.2297618 0.2874401), wk = 0.0021882 k( 378) = ( 0.5000000 0.2356532 0.2791085), wk = 0.0021882 k( 379) = ( 0.5000000 0.2415445 0.2707769), wk = 0.0021882 k( 380) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0021882 k( 381) = ( 0.5000000 0.2533272 0.2541137), wk = 0.0021882 k( 382) = ( 0.5000000 0.2592185 0.2457821), wk = 0.0021882 k( 383) = ( 0.5000000 0.2651098 0.2374505), wk = 0.0021882 k( 384) = ( 0.5000000 0.2710011 0.2291189), wk = 0.0021882 k( 385) = ( 0.5000000 0.2768925 0.2207873), wk = 0.0021882 k( 386) = ( 0.5000000 0.2827838 0.2124557), wk = 0.0021882 k( 387) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021882 k( 388) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021882 k( 389) = ( 0.4970930 0.2869968 0.2136183), wk = 0.0021882 k( 390) = ( 0.4941860 0.2853184 0.2231124), wk = 0.0021882 k( 391) = ( 0.4912791 0.2836401 0.2326066), wk = 0.0021882 k( 392) = ( 0.4883721 0.2819618 0.2421007), wk = 0.0021882 k( 393) = ( 0.4854651 0.2802834 0.2515949), wk = 0.0021882 k( 394) = ( 0.4825581 0.2786051 0.2610890), wk = 0.0021882 k( 395) = ( 0.4796512 0.2769267 0.2705832), wk = 0.0021882 k( 396) = ( 0.4767442 0.2752484 0.2800773), wk = 0.0021882 k( 397) = ( 0.4738372 0.2735700 0.2895715), wk = 0.0021882 k( 398) = ( 0.4709302 0.2718917 0.2990656), wk = 0.0021882 k( 399) = ( 0.4680233 0.2702134 0.3085598), wk = 0.0021882 k( 400) = ( 0.4651163 0.2685350 0.3180539), wk = 0.0021882 k( 401) = ( 0.4622093 0.2668567 0.3275481), wk = 0.0021882 k( 402) = ( 0.4593023 0.2651783 0.3370422), wk = 0.0021882 k( 403) = ( 0.4563953 0.2635000 0.3465363), wk = 0.0021882 k( 404) = ( 0.4534884 0.2618216 0.3560305), wk = 0.0021882 k( 405) = ( 0.4505814 0.2601433 0.3655246), wk = 0.0021882 k( 406) = ( 0.4476744 0.2584649 0.3750188), wk = 0.0021882 k( 407) = ( 0.4447674 0.2567866 0.3845129), wk = 0.0021882 k( 408) = ( 0.4418605 0.2551083 0.3940071), wk = 0.0021882 k( 409) = ( 0.4389535 0.2534299 0.4035012), wk = 0.0021882 k( 410) = ( 0.4360465 0.2517516 0.4129954), wk = 0.0021882 k( 411) = ( 0.4331395 0.2500732 0.4224895), wk = 0.0021882 k( 412) = ( 0.4302326 0.2483949 0.4319837), wk = 0.0021882 k( 413) = ( 0.4273256 0.2467165 0.4414778), wk = 0.0021882 k( 414) = ( 0.4244186 0.2450382 0.4509720), wk = 0.0021882 k( 415) = ( 0.4215116 0.2433599 0.4604661), wk = 0.0021882 k( 416) = ( 0.4186047 0.2416815 0.4699602), wk = 0.0021882 k( 417) = ( 0.4156977 0.2400032 0.4794544), wk = 0.0021882 k( 418) = ( 0.4127907 0.2383248 0.4889485), wk = 0.0021882 k( 419) = ( 0.4098837 0.2366465 0.4984427), wk = 0.0021882 k( 420) = ( 0.4069767 0.2349681 0.5079368), wk = 0.0021882 k( 421) = ( 0.4040698 0.2332898 0.5174310), wk = 0.0021882 k( 422) = ( 0.4011628 0.2316114 0.5269251), wk = 0.0021882 k( 423) = ( 0.3982558 0.2299331 0.5364193), wk = 0.0021882 k( 424) = ( 0.3953488 0.2282548 0.5459134), wk = 0.0021882 k( 425) = ( 0.3924419 0.2265764 0.5554076), wk = 0.0021882 k( 426) = ( 0.3895349 0.2248981 0.5649017), wk = 0.0021882 k( 427) = ( 0.3866279 0.2232197 0.5743959), wk = 0.0021882 k( 428) = ( 0.3837209 0.2215414 0.5838900), wk = 0.0021882 k( 429) = ( 0.3808140 0.2198630 0.5933841), wk = 0.0021882 k( 430) = ( 0.3779070 0.2181847 0.6028783), wk = 0.0021882 k( 431) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021882 k( 432) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021882 k( 433) = ( 0.6200000 -0.0808290 0.4082483), wk = 0.0021882 k( 434) = ( 0.6150000 -0.0894893 0.4082483), wk = 0.0021882 k( 435) = ( 0.6100000 -0.0981495 0.4082483), wk = 0.0021882 k( 436) = ( 0.6050000 -0.1068098 0.4082483), wk = 0.0021882 k( 437) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0021882 k( 438) = ( 0.5950000 -0.1241303 0.4082483), wk = 0.0021882 k( 439) = ( 0.5900000 -0.1327906 0.4082483), wk = 0.0021882 k( 440) = ( 0.5850000 -0.1414508 0.4082483), wk = 0.0021882 k( 441) = ( 0.5800000 -0.1501111 0.4082483), wk = 0.0021882 k( 442) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0021882 k( 443) = ( 0.5700000 -0.1674316 0.4082483), wk = 0.0021882 k( 444) = ( 0.5650000 -0.1760918 0.4082483), wk = 0.0021882 k( 445) = ( 0.5600000 -0.1847521 0.4082483), wk = 0.0021882 k( 446) = ( 0.5550000 -0.1934123 0.4082483), wk = 0.0021882 k( 447) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0021882 k( 448) = ( 0.5450000 -0.2107328 0.4082483), wk = 0.0021882 k( 449) = ( 0.5400000 -0.2193931 0.4082483), wk = 0.0021882 k( 450) = ( 0.5350000 -0.2280534 0.4082483), wk = 0.0021882 k( 451) = ( 0.5300000 -0.2367136 0.4082483), wk = 0.0021882 k( 452) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0021882 k( 453) = ( 0.5200000 -0.2540341 0.4082483), wk = 0.0021882 k( 454) = ( 0.5150000 -0.2626944 0.4082483), wk = 0.0021882 k( 455) = ( 0.5100000 -0.2713546 0.4082483), wk = 0.0021882 k( 456) = ( 0.5050000 -0.2800149 0.4082483), wk = 0.0021882 k( 457) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021882 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 2) = ( 0.0072464 0.0000000 0.0072464), wk = 0.0021882 k( 3) = ( 0.0144928 0.0000000 0.0144928), wk = 0.0021882 k( 4) = ( 0.0217391 -0.0000000 0.0217391), wk = 0.0021882 k( 5) = ( 0.0289855 -0.0000000 0.0289855), wk = 0.0021882 k( 6) = ( 0.0362319 0.0000000 0.0362319), wk = 0.0021882 k( 7) = ( 0.0434783 -0.0000000 0.0434783), wk = 0.0021882 k( 8) = ( 0.0507246 -0.0000000 0.0507246), wk = 0.0021882 k( 9) = ( 0.0579710 -0.0000000 0.0579710), wk = 0.0021882 k( 10) = ( 0.0652174 0.0000000 0.0652174), wk = 0.0021882 k( 11) = ( 0.0724638 -0.0000000 0.0724638), wk = 0.0021882 k( 12) = ( 0.0797101 0.0000000 0.0797101), wk = 0.0021882 k( 13) = ( 0.0869565 -0.0000000 0.0869565), wk = 0.0021882 k( 14) = ( 0.0942029 0.0000000 0.0942029), wk = 0.0021882 k( 15) = ( 0.1014493 -0.0000000 0.1014493), wk = 0.0021882 k( 16) = ( 0.1086957 -0.0000000 0.1086957), wk = 0.0021882 k( 17) = ( 0.1159420 -0.0000000 0.1159420), wk = 0.0021882 k( 18) = ( 0.1231884 0.0000000 0.1231884), wk = 0.0021882 k( 19) = ( 0.1304348 0.0000000 0.1304348), wk = 0.0021882 k( 20) = ( 0.1376812 0.0000000 0.1376812), wk = 0.0021882 k( 21) = ( 0.1449275 -0.0000000 0.1449275), wk = 0.0021882 k( 22) = ( 0.1521739 0.0000000 0.1521739), wk = 0.0021882 k( 23) = ( 0.1594203 0.0000000 0.1594203), wk = 0.0021882 k( 24) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0021882 k( 25) = ( 0.1739130 -0.0000000 0.1739130), wk = 0.0021882 k( 26) = ( 0.1811594 -0.0000000 0.1811594), wk = 0.0021882 k( 27) = ( 0.1884058 0.0000000 0.1884058), wk = 0.0021882 k( 28) = ( 0.1956522 0.0000000 0.1956522), wk = 0.0021882 k( 29) = ( 0.2028986 -0.0000000 0.2028985), wk = 0.0021882 k( 30) = ( 0.2101449 -0.0000000 0.2101449), wk = 0.0021882 k( 31) = ( 0.2173913 -0.0000000 0.2173913), wk = 0.0021882 k( 32) = ( 0.2246377 -0.0000000 0.2246377), wk = 0.0021882 k( 33) = ( 0.2318841 -0.0000000 0.2318841), wk = 0.0021882 k( 34) = ( 0.2391304 0.0000000 0.2391304), wk = 0.0021882 k( 35) = ( 0.2463768 0.0000000 0.2463768), wk = 0.0021882 k( 36) = ( 0.2536232 0.0000000 0.2536232), wk = 0.0021882 k( 37) = ( 0.2608696 0.0000000 0.2608696), wk = 0.0021882 k( 38) = ( 0.2681159 0.0000000 0.2681159), wk = 0.0021882 k( 39) = ( 0.2753623 0.0000000 0.2753623), wk = 0.0021882 k( 40) = ( 0.2826087 0.0000000 0.2826087), wk = 0.0021882 k( 41) = ( 0.2898551 -0.0000000 0.2898551), wk = 0.0021882 k( 42) = ( 0.2971014 0.0000000 0.2971014), wk = 0.0021882 k( 43) = ( 0.3043478 0.0000000 0.3043478), wk = 0.0021882 k( 44) = ( 0.3115942 0.0000000 0.3115942), wk = 0.0021882 k( 45) = ( 0.3188406 0.0000000 0.3188406), wk = 0.0021882 k( 46) = ( 0.3260870 0.0000000 0.3260870), wk = 0.0021882 k( 47) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0021882 k( 48) = ( 0.3405797 0.0000000 0.3405797), wk = 0.0021882 k( 49) = ( 0.3478261 0.0000000 0.3478261), wk = 0.0021882 k( 50) = ( 0.3550725 -0.0000000 0.3550725), wk = 0.0021882 k( 51) = ( 0.3623188 -0.0000000 0.3623188), wk = 0.0021882 k( 52) = ( 0.3695652 -0.0000000 0.3695652), wk = 0.0021882 k( 53) = ( 0.3768116 0.0000000 0.3768116), wk = 0.0021882 k( 54) = ( 0.3840580 0.0000000 0.3840580), wk = 0.0021882 k( 55) = ( 0.3913044 0.0000000 0.3913044), wk = 0.0021882 k( 56) = ( 0.3985507 0.0000000 0.3985507), wk = 0.0021882 k( 57) = ( 0.4057971 -0.0000000 0.4057971), wk = 0.0021882 k( 58) = ( 0.4130435 -0.0000000 0.4130435), wk = 0.0021882 k( 59) = ( 0.4202899 -0.0000000 0.4202899), wk = 0.0021882 k( 60) = ( 0.4275362 -0.0000000 0.4275362), wk = 0.0021882 k( 61) = ( 0.4347826 -0.0000000 0.4347826), wk = 0.0021882 k( 62) = ( 0.4420290 -0.0000000 0.4420290), wk = 0.0021882 k( 63) = ( 0.4492754 -0.0000000 0.4492754), wk = 0.0021882 k( 64) = ( 0.4565217 -0.0000000 0.4565217), wk = 0.0021882 k( 65) = ( 0.4637681 -0.0000000 0.4637681), wk = 0.0021882 k( 66) = ( 0.4710145 0.0000000 0.4710145), wk = 0.0021882 k( 67) = ( 0.4782609 0.0000000 0.4782609), wk = 0.0021882 k( 68) = ( 0.4855073 0.0000000 0.4855073), wk = 0.0021882 k( 69) = ( 0.4927536 0.0000000 0.4927536), wk = 0.0021882 k( 70) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021882 k( 71) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021882 k( 72) = ( 0.5000000 0.0071429 0.5071429), wk = 0.0021882 k( 73) = ( 0.5000000 0.0142857 0.5142857), wk = 0.0021882 k( 74) = ( 0.5000000 0.0214286 0.5214286), wk = 0.0021882 k( 75) = ( 0.5000000 0.0285714 0.5285714), wk = 0.0021882 k( 76) = ( 0.5000000 0.0357143 0.5357143), wk = 0.0021882 k( 77) = ( 0.5000000 0.0428571 0.5428571), wk = 0.0021882 k( 78) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0021882 k( 79) = ( 0.5000000 0.0571429 0.5571429), wk = 0.0021882 k( 80) = ( 0.5000000 0.0642857 0.5642857), wk = 0.0021882 k( 81) = ( 0.5000000 0.0714286 0.5714286), wk = 0.0021882 k( 82) = ( 0.5000000 0.0785714 0.5785714), wk = 0.0021882 k( 83) = ( 0.5000000 0.0857143 0.5857143), wk = 0.0021882 k( 84) = ( 0.5000000 0.0928571 0.5928571), wk = 0.0021882 k( 85) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0021882 k( 86) = ( 0.5000000 0.1071429 0.6071429), wk = 0.0021882 k( 87) = ( 0.5000000 0.1142857 0.6142857), wk = 0.0021882 k( 88) = ( 0.5000000 0.1214286 0.6214286), wk = 0.0021882 k( 89) = ( 0.5000000 0.1285714 0.6285714), wk = 0.0021882 k( 90) = ( 0.5000000 0.1357143 0.6357143), wk = 0.0021882 k( 91) = ( 0.5000000 0.1428571 0.6428571), wk = 0.0021882 k( 92) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0021882 k( 93) = ( 0.5000000 0.1571429 0.6571429), wk = 0.0021882 k( 94) = ( 0.5000000 0.1642857 0.6642857), wk = 0.0021882 k( 95) = ( 0.5000000 0.1714286 0.6714286), wk = 0.0021882 k( 96) = ( 0.5000000 0.1785714 0.6785714), wk = 0.0021882 k( 97) = ( 0.5000000 0.1857143 0.6857143), wk = 0.0021882 k( 98) = ( 0.5000000 0.1928571 0.6928571), wk = 0.0021882 k( 99) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0021882 k( 100) = ( 0.5000000 0.2071429 0.7071429), wk = 0.0021882 k( 101) = ( 0.5000000 0.2142857 0.7142857), wk = 0.0021882 k( 102) = ( 0.5000000 0.2214286 0.7214286), wk = 0.0021882 k( 103) = ( 0.5000000 0.2285714 0.7285714), wk = 0.0021882 k( 104) = ( 0.5000000 0.2357143 0.7357143), wk = 0.0021882 k( 105) = ( 0.5000000 0.2428571 0.7428571), wk = 0.0021882 k( 106) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021882 k( 107) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021882 k( 108) = ( 0.4950000 0.2550000 0.7500000), wk = 0.0021882 k( 109) = ( 0.4900000 0.2600000 0.7500000), wk = 0.0021882 k( 110) = ( 0.4850000 0.2650000 0.7500000), wk = 0.0021882 k( 111) = ( 0.4800000 0.2700000 0.7500000), wk = 0.0021882 k( 112) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0021882 k( 113) = ( 0.4700000 0.2800000 0.7500000), wk = 0.0021882 k( 114) = ( 0.4650000 0.2850000 0.7500000), wk = 0.0021882 k( 115) = ( 0.4600000 0.2900000 0.7500000), wk = 0.0021882 k( 116) = ( 0.4550000 0.2950000 0.7500000), wk = 0.0021882 k( 117) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0021882 k( 118) = ( 0.4450000 0.3050000 0.7500000), wk = 0.0021882 k( 119) = ( 0.4400000 0.3100000 0.7500000), wk = 0.0021882 k( 120) = ( 0.4350000 0.3150000 0.7500000), wk = 0.0021882 k( 121) = ( 0.4300000 0.3200000 0.7500000), wk = 0.0021882 k( 122) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0021882 k( 123) = ( 0.4200000 0.3300000 0.7500000), wk = 0.0021882 k( 124) = ( 0.4150000 0.3350000 0.7500000), wk = 0.0021882 k( 125) = ( 0.4100000 0.3400000 0.7500000), wk = 0.0021882 k( 126) = ( 0.4050000 0.3450000 0.7500000), wk = 0.0021882 k( 127) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0021882 k( 128) = ( 0.3950000 0.3550000 0.7500000), wk = 0.0021882 k( 129) = ( 0.3900000 0.3600000 0.7500000), wk = 0.0021882 k( 130) = ( 0.3850000 0.3650000 0.7500000), wk = 0.0021882 k( 131) = ( 0.3800000 0.3700000 0.7500000), wk = 0.0021882 k( 132) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021882 k( 133) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021882 k( 134) = ( 0.3698630 0.3698630 0.7397260), wk = 0.0021882 k( 135) = ( 0.3647260 0.3647260 0.7294521), wk = 0.0021882 k( 136) = ( 0.3595890 0.3595890 0.7191781), wk = 0.0021882 k( 137) = ( 0.3544521 0.3544521 0.7089041), wk = 0.0021882 k( 138) = ( 0.3493151 0.3493151 0.6986301), wk = 0.0021882 k( 139) = ( 0.3441781 0.3441781 0.6883562), wk = 0.0021882 k( 140) = ( 0.3390411 0.3390411 0.6780822), wk = 0.0021882 k( 141) = ( 0.3339041 0.3339041 0.6678082), wk = 0.0021882 k( 142) = ( 0.3287671 0.3287671 0.6575342), wk = 0.0021882 k( 143) = ( 0.3236301 0.3236301 0.6472603), wk = 0.0021882 k( 144) = ( 0.3184932 0.3184932 0.6369863), wk = 0.0021882 k( 145) = ( 0.3133562 0.3133562 0.6267123), wk = 0.0021882 k( 146) = ( 0.3082192 0.3082192 0.6164384), wk = 0.0021882 k( 147) = ( 0.3030822 0.3030822 0.6061644), wk = 0.0021882 k( 148) = ( 0.2979452 0.2979452 0.5958904), wk = 0.0021882 k( 149) = ( 0.2928082 0.2928082 0.5856164), wk = 0.0021882 k( 150) = ( 0.2876712 0.2876712 0.5753425), wk = 0.0021882 k( 151) = ( 0.2825342 0.2825342 0.5650685), wk = 0.0021882 k( 152) = ( 0.2773973 0.2773973 0.5547945), wk = 0.0021882 k( 153) = ( 0.2722603 0.2722603 0.5445205), wk = 0.0021882 k( 154) = ( 0.2671233 0.2671233 0.5342466), wk = 0.0021882 k( 155) = ( 0.2619863 0.2619863 0.5239726), wk = 0.0021882 k( 156) = ( 0.2568493 0.2568493 0.5136986), wk = 0.0021882 k( 157) = ( 0.2517123 0.2517123 0.5034247), wk = 0.0021882 k( 158) = ( 0.2465753 0.2465753 0.4931507), wk = 0.0021882 k( 159) = ( 0.2414384 0.2414384 0.4828767), wk = 0.0021882 k( 160) = ( 0.2363014 0.2363014 0.4726027), wk = 0.0021882 k( 161) = ( 0.2311644 0.2311644 0.4623288), wk = 0.0021882 k( 162) = ( 0.2260274 0.2260274 0.4520548), wk = 0.0021882 k( 163) = ( 0.2208904 0.2208904 0.4417808), wk = 0.0021882 k( 164) = ( 0.2157534 0.2157534 0.4315068), wk = 0.0021882 k( 165) = ( 0.2106164 0.2106164 0.4212329), wk = 0.0021882 k( 166) = ( 0.2054795 0.2054795 0.4109589), wk = 0.0021882 k( 167) = ( 0.2003425 0.2003425 0.4006849), wk = 0.0021882 k( 168) = ( 0.1952055 0.1952055 0.3904110), wk = 0.0021882 k( 169) = ( 0.1900685 0.1900685 0.3801370), wk = 0.0021882 k( 170) = ( 0.1849315 0.1849315 0.3698630), wk = 0.0021882 k( 171) = ( 0.1797945 0.1797945 0.3595890), wk = 0.0021882 k( 172) = ( 0.1746575 0.1746575 0.3493151), wk = 0.0021882 k( 173) = ( 0.1695205 0.1695205 0.3390411), wk = 0.0021882 k( 174) = ( 0.1643836 0.1643836 0.3287671), wk = 0.0021882 k( 175) = ( 0.1592466 0.1592466 0.3184932), wk = 0.0021882 k( 176) = ( 0.1541096 0.1541096 0.3082192), wk = 0.0021882 k( 177) = ( 0.1489726 0.1489726 0.2979452), wk = 0.0021882 k( 178) = ( 0.1438356 0.1438356 0.2876712), wk = 0.0021882 k( 179) = ( 0.1386986 0.1386986 0.2773973), wk = 0.0021882 k( 180) = ( 0.1335616 0.1335616 0.2671233), wk = 0.0021882 k( 181) = ( 0.1284247 0.1284247 0.2568493), wk = 0.0021882 k( 182) = ( 0.1232877 0.1232877 0.2465753), wk = 0.0021882 k( 183) = ( 0.1181507 0.1181507 0.2363014), wk = 0.0021882 k( 184) = ( 0.1130137 0.1130137 0.2260274), wk = 0.0021882 k( 185) = ( 0.1078767 0.1078767 0.2157534), wk = 0.0021882 k( 186) = ( 0.1027397 0.1027397 0.2054795), wk = 0.0021882 k( 187) = ( 0.0976027 0.0976027 0.1952055), wk = 0.0021882 k( 188) = ( 0.0924657 0.0924657 0.1849315), wk = 0.0021882 k( 189) = ( 0.0873288 0.0873288 0.1746575), wk = 0.0021882 k( 190) = ( 0.0821918 0.0821918 0.1643836), wk = 0.0021882 k( 191) = ( 0.0770548 0.0770548 0.1541096), wk = 0.0021882 k( 192) = ( 0.0719178 0.0719178 0.1438356), wk = 0.0021882 k( 193) = ( 0.0667808 0.0667808 0.1335616), wk = 0.0021882 k( 194) = ( 0.0616438 0.0616438 0.1232877), wk = 0.0021882 k( 195) = ( 0.0565068 0.0565068 0.1130137), wk = 0.0021882 k( 196) = ( 0.0513699 0.0513699 0.1027397), wk = 0.0021882 k( 197) = ( 0.0462329 0.0462329 0.0924657), wk = 0.0021882 k( 198) = ( 0.0410959 0.0410959 0.0821918), wk = 0.0021882 k( 199) = ( 0.0359589 0.0359589 0.0719178), wk = 0.0021882 k( 200) = ( 0.0308219 0.0308219 0.0616438), wk = 0.0021882 k( 201) = ( 0.0256849 0.0256849 0.0513699), wk = 0.0021882 k( 202) = ( 0.0205479 0.0205479 0.0410959), wk = 0.0021882 k( 203) = ( 0.0154110 0.0154110 0.0308219), wk = 0.0021882 k( 204) = ( 0.0102740 0.0102740 0.0205479), wk = 0.0021882 k( 205) = ( 0.0051370 0.0051370 0.0102740), wk = 0.0021882 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 208) = ( 0.0083333 0.0083333 0.0083333), wk = 0.0021882 k( 209) = ( 0.0166667 0.0166667 0.0166667), wk = 0.0021882 k( 210) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0021882 k( 211) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0021882 k( 212) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0021882 k( 213) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0021882 k( 214) = ( 0.0583333 0.0583333 0.0583333), wk = 0.0021882 k( 215) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0021882 k( 216) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0021882 k( 217) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0021882 k( 218) = ( 0.0916667 0.0916667 0.0916667), wk = 0.0021882 k( 219) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0021882 k( 220) = ( 0.1083333 0.1083333 0.1083333), wk = 0.0021882 k( 221) = ( 0.1166667 0.1166667 0.1166667), wk = 0.0021882 k( 222) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0021882 k( 223) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0021882 k( 224) = ( 0.1416667 0.1416667 0.1416667), wk = 0.0021882 k( 225) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0021882 k( 226) = ( 0.1583333 0.1583333 0.1583333), wk = 0.0021882 k( 227) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0021882 k( 228) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0021882 k( 229) = ( 0.1833333 0.1833333 0.1833333), wk = 0.0021882 k( 230) = ( 0.1916667 0.1916667 0.1916667), wk = 0.0021882 k( 231) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0021882 k( 232) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0021882 k( 233) = ( 0.2166667 0.2166667 0.2166667), wk = 0.0021882 k( 234) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0021882 k( 235) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0021882 k( 236) = ( 0.2416667 0.2416667 0.2416667), wk = 0.0021882 k( 237) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021882 k( 238) = ( 0.2583333 0.2583333 0.2583333), wk = 0.0021882 k( 239) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0021882 k( 240) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0021882 k( 241) = ( 0.2833333 0.2833333 0.2833333), wk = 0.0021882 k( 242) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0021882 k( 243) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0021882 k( 244) = ( 0.3083333 0.3083333 0.3083333), wk = 0.0021882 k( 245) = ( 0.3166667 0.3166667 0.3166667), wk = 0.0021882 k( 246) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0021882 k( 247) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0021882 k( 248) = ( 0.3416667 0.3416667 0.3416667), wk = 0.0021882 k( 249) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0021882 k( 250) = ( 0.3583333 0.3583333 0.3583333), wk = 0.0021882 k( 251) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0021882 k( 252) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0021882 k( 253) = ( 0.3833333 0.3833333 0.3833333), wk = 0.0021882 k( 254) = ( 0.3916667 0.3916667 0.3916667), wk = 0.0021882 k( 255) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0021882 k( 256) = ( 0.4083333 0.4083333 0.4083333), wk = 0.0021882 k( 257) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0021882 k( 258) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0021882 k( 259) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0021882 k( 260) = ( 0.4416667 0.4416667 0.4416667), wk = 0.0021882 k( 261) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0021882 k( 262) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0021882 k( 263) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0021882 k( 264) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0021882 k( 265) = ( 0.4833333 0.4833333 0.4833333), wk = 0.0021882 k( 266) = ( 0.4916667 0.4916667 0.4916667), wk = 0.0021882 k( 267) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021882 k( 268) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021882 k( 269) = ( 0.5029070 0.4941860 0.5029070), wk = 0.0021882 k( 270) = ( 0.5058139 0.4883721 0.5058140), wk = 0.0021882 k( 271) = ( 0.5087209 0.4825581 0.5087209), wk = 0.0021882 k( 272) = ( 0.5116279 0.4767442 0.5116279), wk = 0.0021882 k( 273) = ( 0.5145349 0.4709302 0.5145349), wk = 0.0021882 k( 274) = ( 0.5174419 0.4651163 0.5174419), wk = 0.0021882 k( 275) = ( 0.5203488 0.4593023 0.5203488), wk = 0.0021882 k( 276) = ( 0.5232558 0.4534884 0.5232558), wk = 0.0021882 k( 277) = ( 0.5261628 0.4476744 0.5261628), wk = 0.0021882 k( 278) = ( 0.5290698 0.4418605 0.5290698), wk = 0.0021882 k( 279) = ( 0.5319767 0.4360465 0.5319767), wk = 0.0021882 k( 280) = ( 0.5348837 0.4302326 0.5348837), wk = 0.0021882 k( 281) = ( 0.5377907 0.4244186 0.5377907), wk = 0.0021882 k( 282) = ( 0.5406977 0.4186047 0.5406977), wk = 0.0021882 k( 283) = ( 0.5436047 0.4127907 0.5436047), wk = 0.0021882 k( 284) = ( 0.5465116 0.4069767 0.5465116), wk = 0.0021882 k( 285) = ( 0.5494186 0.4011628 0.5494186), wk = 0.0021882 k( 286) = ( 0.5523256 0.3953488 0.5523256), wk = 0.0021882 k( 287) = ( 0.5552326 0.3895349 0.5552326), wk = 0.0021882 k( 288) = ( 0.5581395 0.3837209 0.5581395), wk = 0.0021882 k( 289) = ( 0.5610465 0.3779070 0.5610465), wk = 0.0021882 k( 290) = ( 0.5639535 0.3720930 0.5639535), wk = 0.0021882 k( 291) = ( 0.5668605 0.3662791 0.5668605), wk = 0.0021882 k( 292) = ( 0.5697674 0.3604651 0.5697674), wk = 0.0021882 k( 293) = ( 0.5726744 0.3546512 0.5726744), wk = 0.0021882 k( 294) = ( 0.5755814 0.3488372 0.5755814), wk = 0.0021882 k( 295) = ( 0.5784884 0.3430233 0.5784884), wk = 0.0021882 k( 296) = ( 0.5813953 0.3372093 0.5813953), wk = 0.0021882 k( 297) = ( 0.5843023 0.3313953 0.5843023), wk = 0.0021882 k( 298) = ( 0.5872093 0.3255814 0.5872093), wk = 0.0021882 k( 299) = ( 0.5901163 0.3197674 0.5901163), wk = 0.0021882 k( 300) = ( 0.5930233 0.3139535 0.5930233), wk = 0.0021882 k( 301) = ( 0.5959302 0.3081395 0.5959302), wk = 0.0021882 k( 302) = ( 0.5988372 0.3023256 0.5988372), wk = 0.0021882 k( 303) = ( 0.6017442 0.2965116 0.6017442), wk = 0.0021882 k( 304) = ( 0.6046512 0.2906977 0.6046512), wk = 0.0021882 k( 305) = ( 0.6075581 0.2848837 0.6075581), wk = 0.0021882 k( 306) = ( 0.6104651 0.2790698 0.6104651), wk = 0.0021882 k( 307) = ( 0.6133721 0.2732558 0.6133721), wk = 0.0021882 k( 308) = ( 0.6162791 0.2674419 0.6162791), wk = 0.0021882 k( 309) = ( 0.6191861 0.2616279 0.6191861), wk = 0.0021882 k( 310) = ( 0.6220930 0.2558139 0.6220930), wk = 0.0021882 k( 311) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021882 k( 312) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021882 k( 313) = ( 0.6200000 0.2500000 0.6300000), wk = 0.0021882 k( 314) = ( 0.6150000 0.2500000 0.6350000), wk = 0.0021882 k( 315) = ( 0.6100000 0.2500000 0.6400000), wk = 0.0021882 k( 316) = ( 0.6050000 0.2500000 0.6450000), wk = 0.0021882 k( 317) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0021882 k( 318) = ( 0.5950000 0.2500000 0.6550000), wk = 0.0021882 k( 319) = ( 0.5900000 0.2500000 0.6600000), wk = 0.0021882 k( 320) = ( 0.5850000 0.2500000 0.6650000), wk = 0.0021882 k( 321) = ( 0.5800000 0.2500000 0.6700000), wk = 0.0021882 k( 322) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0021882 k( 323) = ( 0.5700000 0.2500000 0.6800000), wk = 0.0021882 k( 324) = ( 0.5650000 0.2500000 0.6850000), wk = 0.0021882 k( 325) = ( 0.5600000 0.2500000 0.6900000), wk = 0.0021882 k( 326) = ( 0.5550000 0.2500000 0.6950000), wk = 0.0021882 k( 327) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0021882 k( 328) = ( 0.5450000 0.2500000 0.7050000), wk = 0.0021882 k( 329) = ( 0.5400000 0.2500000 0.7100000), wk = 0.0021882 k( 330) = ( 0.5350000 0.2500000 0.7150000), wk = 0.0021882 k( 331) = ( 0.5300000 0.2500000 0.7200000), wk = 0.0021882 k( 332) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0021882 k( 333) = ( 0.5200000 0.2500000 0.7300000), wk = 0.0021882 k( 334) = ( 0.5150000 0.2500000 0.7350000), wk = 0.0021882 k( 335) = ( 0.5100000 0.2500000 0.7400000), wk = 0.0021882 k( 336) = ( 0.5050000 0.2500000 0.7450000), wk = 0.0021882 k( 337) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021882 k( 338) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021882 k( 339) = ( 0.5000000 0.2551020 0.7448980), wk = 0.0021882 k( 340) = ( 0.5000000 0.2602041 0.7397959), wk = 0.0021882 k( 341) = ( 0.5000000 0.2653061 0.7346939), wk = 0.0021882 k( 342) = ( 0.5000000 0.2704082 0.7295918), wk = 0.0021882 k( 343) = ( 0.5000000 0.2755102 0.7244898), wk = 0.0021882 k( 344) = ( 0.5000000 0.2806122 0.7193878), wk = 0.0021882 k( 345) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0021882 k( 346) = ( 0.5000000 0.2908163 0.7091837), wk = 0.0021882 k( 347) = ( 0.5000000 0.2959184 0.7040816), wk = 0.0021882 k( 348) = ( 0.5000000 0.3010204 0.6989796), wk = 0.0021882 k( 349) = ( 0.5000000 0.3061224 0.6938775), wk = 0.0021882 k( 350) = ( 0.5000000 0.3112245 0.6887755), wk = 0.0021882 k( 351) = ( 0.5000000 0.3163265 0.6836735), wk = 0.0021882 k( 352) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0021882 k( 353) = ( 0.5000000 0.3265306 0.6734694), wk = 0.0021882 k( 354) = ( 0.5000000 0.3316326 0.6683674), wk = 0.0021882 k( 355) = ( 0.5000000 0.3367347 0.6632653), wk = 0.0021882 k( 356) = ( 0.5000000 0.3418367 0.6581633), wk = 0.0021882 k( 357) = ( 0.5000000 0.3469388 0.6530612), wk = 0.0021882 k( 358) = ( 0.5000000 0.3520408 0.6479592), wk = 0.0021882 k( 359) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0021882 k( 360) = ( 0.5000000 0.3622449 0.6377551), wk = 0.0021882 k( 361) = ( 0.5000000 0.3673469 0.6326531), wk = 0.0021882 k( 362) = ( 0.5000000 0.3724490 0.6275510), wk = 0.0021882 k( 363) = ( 0.5000000 0.3775510 0.6224490), wk = 0.0021882 k( 364) = ( 0.5000000 0.3826531 0.6173469), wk = 0.0021882 k( 365) = ( 0.5000000 0.3877551 0.6122449), wk = 0.0021882 k( 366) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0021882 k( 367) = ( 0.5000000 0.3979592 0.6020408), wk = 0.0021882 k( 368) = ( 0.5000000 0.4030612 0.5969388), wk = 0.0021882 k( 369) = ( 0.5000000 0.4081633 0.5918367), wk = 0.0021882 k( 370) = ( 0.5000000 0.4132653 0.5867347), wk = 0.0021882 k( 371) = ( 0.5000000 0.4183673 0.5816326), wk = 0.0021882 k( 372) = ( 0.5000000 0.4234694 0.5765306), wk = 0.0021882 k( 373) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0021882 k( 374) = ( 0.5000000 0.4336735 0.5663265), wk = 0.0021882 k( 375) = ( 0.5000000 0.4387755 0.5612245), wk = 0.0021882 k( 376) = ( 0.5000000 0.4438775 0.5561224), wk = 0.0021882 k( 377) = ( 0.5000000 0.4489796 0.5510204), wk = 0.0021882 k( 378) = ( 0.5000000 0.4540816 0.5459184), wk = 0.0021882 k( 379) = ( 0.5000000 0.4591837 0.5408163), wk = 0.0021882 k( 380) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0021882 k( 381) = ( 0.5000000 0.4693878 0.5306122), wk = 0.0021882 k( 382) = ( 0.5000000 0.4744898 0.5255102), wk = 0.0021882 k( 383) = ( 0.5000000 0.4795918 0.5204082), wk = 0.0021882 k( 384) = ( 0.5000000 0.4846939 0.5153061), wk = 0.0021882 k( 385) = ( 0.5000000 0.4897959 0.5102041), wk = 0.0021882 k( 386) = ( 0.5000000 0.4948980 0.5051020), wk = 0.0021882 k( 387) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021882 k( 388) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021882 k( 389) = ( 0.4970930 0.4970930 0.5058139), wk = 0.0021882 k( 390) = ( 0.4941860 0.4941860 0.5116279), wk = 0.0021882 k( 391) = ( 0.4912791 0.4912791 0.5174419), wk = 0.0021882 k( 392) = ( 0.4883721 0.4883721 0.5232558), wk = 0.0021882 k( 393) = ( 0.4854651 0.4854651 0.5290698), wk = 0.0021882 k( 394) = ( 0.4825581 0.4825581 0.5348837), wk = 0.0021882 k( 395) = ( 0.4796512 0.4796512 0.5406977), wk = 0.0021882 k( 396) = ( 0.4767442 0.4767442 0.5465116), wk = 0.0021882 k( 397) = ( 0.4738372 0.4738372 0.5523256), wk = 0.0021882 k( 398) = ( 0.4709302 0.4709302 0.5581395), wk = 0.0021882 k( 399) = ( 0.4680233 0.4680233 0.5639535), wk = 0.0021882 k( 400) = ( 0.4651163 0.4651163 0.5697674), wk = 0.0021882 k( 401) = ( 0.4622093 0.4622093 0.5755814), wk = 0.0021882 k( 402) = ( 0.4593023 0.4593023 0.5813953), wk = 0.0021882 k( 403) = ( 0.4563953 0.4563953 0.5872093), wk = 0.0021882 k( 404) = ( 0.4534884 0.4534884 0.5930233), wk = 0.0021882 k( 405) = ( 0.4505814 0.4505814 0.5988372), wk = 0.0021882 k( 406) = ( 0.4476744 0.4476744 0.6046512), wk = 0.0021882 k( 407) = ( 0.4447674 0.4447674 0.6104651), wk = 0.0021882 k( 408) = ( 0.4418605 0.4418605 0.6162791), wk = 0.0021882 k( 409) = ( 0.4389535 0.4389535 0.6220930), wk = 0.0021882 k( 410) = ( 0.4360465 0.4360465 0.6279070), wk = 0.0021882 k( 411) = ( 0.4331395 0.4331395 0.6337209), wk = 0.0021882 k( 412) = ( 0.4302326 0.4302326 0.6395349), wk = 0.0021882 k( 413) = ( 0.4273256 0.4273256 0.6453488), wk = 0.0021882 k( 414) = ( 0.4244186 0.4244186 0.6511628), wk = 0.0021882 k( 415) = ( 0.4215116 0.4215116 0.6569767), wk = 0.0021882 k( 416) = ( 0.4186047 0.4186047 0.6627907), wk = 0.0021882 k( 417) = ( 0.4156977 0.4156977 0.6686047), wk = 0.0021882 k( 418) = ( 0.4127907 0.4127907 0.6744186), wk = 0.0021882 k( 419) = ( 0.4098837 0.4098837 0.6802326), wk = 0.0021882 k( 420) = ( 0.4069767 0.4069767 0.6860465), wk = 0.0021882 k( 421) = ( 0.4040698 0.4040698 0.6918605), wk = 0.0021882 k( 422) = ( 0.4011628 0.4011628 0.6976744), wk = 0.0021882 k( 423) = ( 0.3982558 0.3982558 0.7034884), wk = 0.0021882 k( 424) = ( 0.3953488 0.3953488 0.7093023), wk = 0.0021882 k( 425) = ( 0.3924419 0.3924419 0.7151163), wk = 0.0021882 k( 426) = ( 0.3895349 0.3895349 0.7209302), wk = 0.0021882 k( 427) = ( 0.3866279 0.3866279 0.7267442), wk = 0.0021882 k( 428) = ( 0.3837209 0.3837209 0.7325581), wk = 0.0021882 k( 429) = ( 0.3808140 0.3808140 0.7383721), wk = 0.0021882 k( 430) = ( 0.3779070 0.3779070 0.7441861), wk = 0.0021882 k( 431) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021882 k( 432) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021882 k( 433) = ( 0.6200000 0.2400000 0.6200000), wk = 0.0021882 k( 434) = ( 0.6150000 0.2300000 0.6150000), wk = 0.0021882 k( 435) = ( 0.6100000 0.2200000 0.6100000), wk = 0.0021882 k( 436) = ( 0.6050000 0.2100000 0.6050000), wk = 0.0021882 k( 437) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0021882 k( 438) = ( 0.5950000 0.1900000 0.5950000), wk = 0.0021882 k( 439) = ( 0.5900000 0.1800000 0.5900000), wk = 0.0021882 k( 440) = ( 0.5850000 0.1700000 0.5850000), wk = 0.0021882 k( 441) = ( 0.5800000 0.1600000 0.5800000), wk = 0.0021882 k( 442) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0021882 k( 443) = ( 0.5700000 0.1400000 0.5700000), wk = 0.0021882 k( 444) = ( 0.5650000 0.1300000 0.5650000), wk = 0.0021882 k( 445) = ( 0.5600000 0.1200000 0.5600000), wk = 0.0021882 k( 446) = ( 0.5550000 0.1100000 0.5550000), wk = 0.0021882 k( 447) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0021882 k( 448) = ( 0.5450000 0.0900000 0.5450000), wk = 0.0021882 k( 449) = ( 0.5400000 0.0800000 0.5400000), wk = 0.0021882 k( 450) = ( 0.5350000 0.0700000 0.5350000), wk = 0.0021882 k( 451) = ( 0.5300000 0.0600000 0.5300000), wk = 0.0021882 k( 452) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0021882 k( 453) = ( 0.5200000 0.0400000 0.5200000), wk = 0.0021882 k( 454) = ( 0.5150000 0.0300000 0.5150000), wk = 0.0021882 k( 455) = ( 0.5100000 0.0200000 0.5100000), wk = 0.0021882 k( 456) = ( 0.5050000 0.0100000 0.5050000), wk = 0.0021882 k( 457) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021882 Dense grid: 15593 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 8657 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 ( 325) G-vector shells 0.00 Mb ( 144) 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= -0.000001 0.000000 The potential is recalculated from file : ./ReN.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.2 secs Computing kpt #: 2 total cpu time spent up to now is 40.5 secs Computing kpt #: 3 total cpu time spent up to now is 40.7 secs Computing kpt #: 4 total cpu time spent up to now is 40.8 secs Computing kpt #: 5 total cpu time spent up to now is 41.0 secs Computing kpt #: 6 total cpu time spent up to now is 41.2 secs Computing kpt #: 7 total cpu time spent up to now is 41.4 secs Computing kpt #: 8 total cpu time spent up to now is 41.6 secs Computing kpt #: 9 total cpu time spent up to now is 41.8 secs Computing kpt #: 10 total cpu time spent up to now is 42.0 secs Computing kpt #: 11 total cpu time spent up to now is 42.2 secs Computing kpt #: 12 total cpu time spent up to now is 42.3 secs Computing kpt #: 13 total cpu time spent up to now is 42.5 secs Computing kpt #: 14 total cpu time spent up to now is 42.7 secs Computing kpt #: 15 total cpu time spent up to now is 42.9 secs Computing kpt #: 16 total cpu time spent up to now is 43.1 secs Computing kpt #: 17 total cpu time spent up to now is 43.3 secs Computing kpt #: 18 total cpu time spent up to now is 43.5 secs Computing kpt #: 19 total cpu time spent up to now is 43.7 secs Computing kpt #: 20 total cpu time spent up to now is 43.9 secs Computing kpt #: 21 total cpu time spent up to now is 44.0 secs Computing kpt #: 22 total cpu time spent up to now is 44.2 secs Computing kpt #: 23 total cpu time spent up to now is 44.4 secs Computing kpt #: 24 total cpu time spent up to now is 44.6 secs Computing kpt #: 25 total cpu time spent up to now is 44.8 secs Computing kpt #: 26 total cpu time spent up to now is 44.9 secs Computing kpt #: 27 total cpu time spent up to now is 45.1 secs Computing kpt #: 28 total cpu time spent up to now is 45.3 secs Computing kpt #: 29 total cpu time spent up to now is 45.5 secs Computing kpt #: 30 total cpu time spent up to now is 45.7 secs Computing kpt #: 31 total cpu time spent up to now is 45.9 secs Computing kpt #: 32 total cpu time spent up to now is 46.1 secs Computing kpt #: 33 total cpu time spent up to now is 46.2 secs Computing kpt #: 34 total cpu time spent up to now is 46.4 secs Computing kpt #: 35 total cpu time spent up to now is 46.6 secs Computing kpt #: 36 total cpu time spent up to now is 46.8 secs Computing kpt #: 37 total cpu time spent up to now is 47.0 secs Computing kpt #: 38 total cpu time spent up to now is 47.2 secs Computing kpt #: 39 total cpu time spent up to now is 47.3 secs Computing kpt #: 40 total cpu time spent up to now is 47.5 secs Computing kpt #: 41 total cpu time spent up to now is 47.7 secs Computing kpt #: 42 total cpu time spent up to now is 47.9 secs Computing kpt #: 43 total cpu time spent up to now is 48.1 secs Computing kpt #: 44 total cpu time spent up to now is 48.3 secs Computing kpt #: 45 total cpu time spent up to now is 48.5 secs Computing kpt #: 46 total cpu time spent up to now is 48.7 secs Computing kpt #: 47 total cpu time spent up to now is 48.8 secs Computing kpt #: 48 total cpu time spent up to now is 49.0 secs Computing kpt #: 49 total cpu time spent up to now is 49.2 secs Computing kpt #: 50 total cpu time spent up to now is 49.5 secs Computing kpt #: 51 total cpu time spent up to now is 49.8 secs Computing kpt #: 52 total cpu time spent up to now is 50.2 secs Computing kpt #: 53 total cpu time spent up to now is 50.5 secs Computing kpt #: 54 total cpu time spent up to now is 50.7 secs Computing kpt #: 55 total cpu time spent up to now is 50.9 secs Computing kpt #: 56 total cpu time spent up to now is 51.1 secs Computing kpt #: 57 total cpu time spent up to now is 51.5 secs Computing kpt #: 58 total cpu time spent up to now is 51.7 secs Computing kpt #: 59 total cpu time spent up to now is 52.1 secs Computing kpt #: 60 total cpu time spent up to now is 52.4 secs Computing kpt #: 61 total cpu time spent up to now is 52.7 secs Computing kpt #: 62 total cpu time spent up to now is 53.0 secs Computing kpt #: 63 total cpu time spent up to now is 53.3 secs Computing kpt #: 64 total cpu time spent up to now is 53.6 secs Computing kpt #: 65 total cpu time spent up to now is 53.9 secs Computing kpt #: 66 total cpu time spent up to now is 54.2 secs Computing kpt #: 67 total cpu time spent up to now is 54.6 secs Computing kpt #: 68 total cpu time spent up to now is 54.8 secs Computing kpt #: 69 total cpu time spent up to now is 55.1 secs Computing kpt #: 70 total cpu time spent up to now is 55.5 secs Computing kpt #: 71 total cpu time spent up to now is 56.0 secs Computing kpt #: 72 total cpu time spent up to now is 56.3 secs Computing kpt #: 73 total cpu time spent up to now is 56.6 secs Computing kpt #: 74 total cpu time spent up to now is 56.9 secs Computing kpt #: 75 total cpu time spent up to now is 57.4 secs Computing kpt #: 76 total cpu time spent up to now is 57.7 secs Computing kpt #: 77 total cpu time spent up to now is 57.9 secs Computing kpt #: 78 total cpu time spent up to now is 58.2 secs Computing kpt #: 79 total cpu time spent up to now is 58.4 secs Computing kpt #: 80 total cpu time spent up to now is 58.7 secs Computing kpt #: 81 total cpu time spent up to now is 59.0 secs Computing kpt #: 82 total cpu time spent up to now is 59.2 secs Computing kpt #: 83 total cpu time spent up to now is 59.5 secs Computing kpt #: 84 total cpu time spent up to now is 59.8 secs Computing kpt #: 85 total cpu time spent up to now is 60.5 secs Computing kpt #: 86 total cpu time spent up to now is 60.9 secs Computing kpt #: 87 total cpu time spent up to now is 61.3 secs Computing kpt #: 88 total cpu time spent up to now is 61.6 secs Computing kpt #: 89 total cpu time spent up to now is 61.9 secs Computing kpt #: 90 total cpu time spent up to now is 62.4 secs Computing kpt #: 91 total cpu time spent up to now is 62.7 secs Computing kpt #: 92 total cpu time spent up to now is 63.0 secs Computing kpt #: 93 total cpu time spent up to now is 63.3 secs Computing kpt #: 94 total cpu time spent up to now is 63.7 secs Computing kpt #: 95 total cpu time spent up to now is 64.1 secs Computing kpt #: 96 total cpu time spent up to now is 64.3 secs Computing kpt #: 97 total cpu time spent up to now is 64.6 secs Computing kpt #: 98 total cpu time spent up to now is 64.9 secs Computing kpt #: 99 total cpu time spent up to now is 65.1 secs Computing kpt #: 100 total cpu time spent up to now is 65.4 secs Computing kpt #: 101 total cpu time spent up to now is 65.6 secs Computing kpt #: 102 total cpu time spent up to now is 65.8 secs Computing kpt #: 103 total cpu time spent up to now is 66.1 secs Computing kpt #: 104 total cpu time spent up to now is 66.3 secs Computing kpt #: 105 total cpu time spent up to now is 66.5 secs Computing kpt #: 106 total cpu time spent up to now is 66.8 secs Computing kpt #: 107 total cpu time spent up to now is 67.2 secs Computing kpt #: 108 total cpu time spent up to now is 67.4 secs Computing kpt #: 109 total cpu time spent up to now is 67.8 secs Computing kpt #: 110 total cpu time spent up to now is 68.1 secs Computing kpt #: 111 total cpu time spent up to now is 68.6 secs Computing kpt #: 112 total cpu time spent up to now is 68.9 secs Computing kpt #: 113 total cpu time spent up to now is 69.2 secs Computing kpt #: 114 total cpu time spent up to now is 69.8 secs Computing kpt #: 115 total cpu time spent up to now is 70.1 secs Computing kpt #: 116 total cpu time spent up to now is 70.4 secs Computing kpt #: 117 total cpu time spent up to now is 70.8 secs Computing kpt #: 118 total cpu time spent up to now is 71.6 secs Computing kpt #: 119 total cpu time spent up to now is 71.9 secs Computing kpt #: 120 total cpu time spent up to now is 72.1 secs Computing kpt #: 121 total cpu time spent up to now is 72.4 secs Computing kpt #: 122 total cpu time spent up to now is 72.6 secs Computing kpt #: 123 total cpu time spent up to now is 72.8 secs Computing kpt #: 124 total cpu time spent up to now is 73.1 secs Computing kpt #: 125 total cpu time spent up to now is 73.4 secs Computing kpt #: 126 total cpu time spent up to now is 73.7 secs Computing kpt #: 127 total cpu time spent up to now is 74.0 secs Computing kpt #: 128 total cpu time spent up to now is 74.2 secs Computing kpt #: 129 total cpu time spent up to now is 74.5 secs Computing kpt #: 130 total cpu time spent up to now is 75.1 secs Computing kpt #: 131 total cpu time spent up to now is 75.4 secs Computing kpt #: 132 total cpu time spent up to now is 75.8 secs Computing kpt #: 133 total cpu time spent up to now is 76.1 secs Computing kpt #: 134 total cpu time spent up to now is 76.3 secs Computing kpt #: 135 total cpu time spent up to now is 76.7 secs Computing kpt #: 136 total cpu time spent up to now is 77.0 secs Computing kpt #: 137 total cpu time spent up to now is 77.3 secs Computing kpt #: 138 total cpu time spent up to now is 77.5 secs Computing kpt #: 139 total cpu time spent up to now is 77.8 secs Computing kpt #: 140 total cpu time spent up to now is 78.2 secs Computing kpt #: 141 total cpu time spent up to now is 78.4 secs Computing kpt #: 142 total cpu time spent up to now is 78.7 secs Computing kpt #: 143 total cpu time spent up to now is 78.9 secs Computing kpt #: 144 total cpu time spent up to now is 79.1 secs Computing kpt #: 145 total cpu time spent up to now is 79.3 secs Computing kpt #: 146 total cpu time spent up to now is 79.5 secs Computing kpt #: 147 total cpu time spent up to now is 79.8 secs Computing kpt #: 148 total cpu time spent up to now is 80.0 secs Computing kpt #: 149 total cpu time spent up to now is 80.3 secs Computing kpt #: 150 total cpu time spent up to now is 80.8 secs Computing kpt #: 151 total cpu time spent up to now is 81.1 secs Computing kpt #: 152 total cpu time spent up to now is 81.8 secs Computing kpt #: 153 total cpu time spent up to now is 82.1 secs Computing kpt #: 154 total cpu time spent up to now is 82.4 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 83.4 secs Computing kpt #: 158 total cpu time spent up to now is 83.6 secs Computing kpt #: 159 total cpu time spent up to now is 83.9 secs Computing kpt #: 160 total cpu time spent up to now is 84.1 secs Computing kpt #: 161 total cpu time spent up to now is 84.4 secs Computing kpt #: 162 total cpu time spent up to now is 84.8 secs Computing kpt #: 163 total cpu time spent up to now is 85.0 secs Computing kpt #: 164 total cpu time spent up to now is 85.4 secs Computing kpt #: 165 total cpu time spent up to now is 85.7 secs Computing kpt #: 166 total cpu time spent up to now is 85.9 secs Computing kpt #: 167 total cpu time spent up to now is 86.1 secs Computing kpt #: 168 total cpu time spent up to now is 86.5 secs Computing kpt #: 169 total cpu time spent up to now is 86.7 secs Computing kpt #: 170 total cpu time spent up to now is 86.9 secs Computing kpt #: 171 total cpu time spent up to now is 87.1 secs Computing kpt #: 172 total cpu time spent up to now is 87.3 secs Computing kpt #: 173 total cpu time spent up to now is 87.5 secs Computing kpt #: 174 total cpu time spent up to now is 87.9 secs Computing kpt #: 175 total cpu time spent up to now is 88.2 secs Computing kpt #: 176 total cpu time spent up to now is 88.4 secs Computing kpt #: 177 total cpu time spent up to now is 88.6 secs Computing kpt #: 178 total cpu time spent up to now is 88.9 secs Computing kpt #: 179 total cpu time spent up to now is 89.1 secs Computing kpt #: 180 total cpu time spent up to now is 89.5 secs Computing kpt #: 181 total cpu time spent up to now is 89.9 secs Computing kpt #: 182 total cpu time spent up to now is 90.3 secs Computing kpt #: 183 total cpu time spent up to now is 90.6 secs Computing kpt #: 184 total cpu time spent up to now is 90.8 secs Computing kpt #: 185 total cpu time spent up to now is 91.0 secs Computing kpt #: 186 total cpu time spent up to now is 91.2 secs Computing kpt #: 187 total cpu time spent up to now is 91.4 secs Computing kpt #: 188 total cpu time spent up to now is 91.9 secs Computing kpt #: 189 total cpu time spent up to now is 92.1 secs Computing kpt #: 190 total cpu time spent up to now is 92.3 secs Computing kpt #: 191 total cpu time spent up to now is 92.5 secs Computing kpt #: 192 total cpu time spent up to now is 92.7 secs Computing kpt #: 193 total cpu time spent up to now is 92.9 secs Computing kpt #: 194 total cpu time spent up to now is 93.1 secs Computing kpt #: 195 total cpu time spent up to now is 93.3 secs Computing kpt #: 196 total cpu time spent up to now is 93.9 secs Computing kpt #: 197 total cpu time spent up to now is 94.3 secs Computing kpt #: 198 total cpu time spent up to now is 94.5 secs Computing kpt #: 199 total cpu time spent up to now is 94.7 secs Computing kpt #: 200 total cpu time spent up to now is 94.9 secs Computing kpt #: 201 total cpu time spent up to now is 95.1 secs Computing kpt #: 202 total cpu time spent up to now is 95.4 secs Computing kpt #: 203 total cpu time spent up to now is 95.6 secs Computing kpt #: 204 total cpu time spent up to now is 96.2 secs Computing kpt #: 205 total cpu time spent up to now is 96.5 secs Computing kpt #: 206 total cpu time spent up to now is 96.8 secs Computing kpt #: 207 total cpu time spent up to now is 96.9 secs Computing kpt #: 208 total cpu time spent up to now is 97.1 secs Computing kpt #: 209 total cpu time spent up to now is 97.3 secs Computing kpt #: 210 total cpu time spent up to now is 97.5 secs Computing kpt #: 211 total cpu time spent up to now is 97.7 secs Computing kpt #: 212 total cpu time spent up to now is 97.8 secs Computing kpt #: 213 total cpu time spent up to now is 98.2 secs Computing kpt #: 214 total cpu time spent up to now is 98.4 secs Computing kpt #: 215 total cpu time spent up to now is 98.6 secs Computing kpt #: 216 total cpu time spent up to now is 99.0 secs Computing kpt #: 217 total cpu time spent up to now is 99.2 secs Computing kpt #: 218 total cpu time spent up to now is 99.4 secs Computing kpt #: 219 total cpu time spent up to now is 99.6 secs Computing kpt #: 220 total cpu time spent up to now is 99.9 secs Computing kpt #: 221 total cpu time spent up to now is 100.2 secs Computing kpt #: 222 total cpu time spent up to now is 100.5 secs Computing kpt #: 223 total cpu time spent up to now is 101.0 secs Computing kpt #: 224 total cpu time spent up to now is 101.4 secs Computing kpt #: 225 total cpu time spent up to now is 101.6 secs Computing kpt #: 226 total cpu time spent up to now is 101.8 secs Computing kpt #: 227 total cpu time spent up to now is 102.0 secs Computing kpt #: 228 total cpu time spent up to now is 102.2 secs Computing kpt #: 229 total cpu time spent up to now is 102.4 secs Computing kpt #: 230 total cpu time spent up to now is 102.6 secs Computing kpt #: 231 total cpu time spent up to now is 102.8 secs Computing kpt #: 232 total cpu time spent up to now is 102.9 secs Computing kpt #: 233 total cpu time spent up to now is 103.1 secs Computing kpt #: 234 total cpu time spent up to now is 103.4 secs Computing kpt #: 235 total cpu time spent up to now is 103.8 secs Computing kpt #: 236 total cpu time spent up to now is 104.1 secs Computing kpt #: 237 total cpu time spent up to now is 104.3 secs Computing kpt #: 238 total cpu time spent up to now is 104.6 secs Computing kpt #: 239 total cpu time spent up to now is 104.8 secs Computing kpt #: 240 total cpu time spent up to now is 105.3 secs Computing kpt #: 241 total cpu time spent up to now is 105.5 secs Computing kpt #: 242 total cpu time spent up to now is 105.7 secs Computing kpt #: 243 total cpu time spent up to now is 105.9 secs Computing kpt #: 244 total cpu time spent up to now is 106.2 secs Computing kpt #: 245 total cpu time spent up to now is 106.5 secs Computing kpt #: 246 total cpu time spent up to now is 106.9 secs Computing kpt #: 247 total cpu time spent up to now is 107.1 secs Computing kpt #: 248 total cpu time spent up to now is 107.3 secs Computing kpt #: 249 total cpu time spent up to now is 107.6 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 108.7 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 109.5 secs Computing kpt #: 257 total cpu time spent up to now is 109.8 secs Computing kpt #: 258 total cpu time spent up to now is 110.0 secs Computing kpt #: 259 total cpu time spent up to now is 110.2 secs Computing kpt #: 260 total cpu time spent up to now is 110.4 secs Computing kpt #: 261 total cpu time spent up to now is 110.6 secs Computing kpt #: 262 total cpu time spent up to now is 110.8 secs Computing kpt #: 263 total cpu time spent up to now is 111.0 secs Computing kpt #: 264 total cpu time spent up to now is 111.2 secs Computing kpt #: 265 total cpu time spent up to now is 111.5 secs Computing kpt #: 266 total cpu time spent up to now is 111.7 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 112.5 secs Computing kpt #: 269 total cpu time spent up to now is 112.8 secs Computing kpt #: 270 total cpu time spent up to now is 113.0 secs Computing kpt #: 271 total cpu time spent up to now is 113.2 secs Computing kpt #: 272 total cpu time spent up to now is 113.4 secs Computing kpt #: 273 total cpu time spent up to now is 113.8 secs Computing kpt #: 274 total cpu time spent up to now is 114.2 secs Computing kpt #: 275 total cpu time spent up to now is 114.5 secs Computing kpt #: 276 total cpu time spent up to now is 114.9 secs Computing kpt #: 277 total cpu time spent up to now is 115.2 secs Computing kpt #: 278 total cpu time spent up to now is 115.4 secs Computing kpt #: 279 total cpu time spent up to now is 115.7 secs Computing kpt #: 280 total cpu time spent up to now is 116.2 secs Computing kpt #: 281 total cpu time spent up to now is 116.4 secs Computing kpt #: 282 total cpu time spent up to now is 116.7 secs Computing kpt #: 283 total cpu time spent up to now is 116.9 secs Computing kpt #: 284 total cpu time spent up to now is 117.3 secs Computing kpt #: 285 total cpu time spent up to now is 117.5 secs Computing kpt #: 286 total cpu time spent up to now is 117.8 secs Computing kpt #: 287 total cpu time spent up to now is 118.0 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 118.4 secs Computing kpt #: 290 total cpu time spent up to now is 118.6 secs Computing kpt #: 291 total cpu time spent up to now is 118.8 secs Computing kpt #: 292 total cpu time spent up to now is 119.0 secs Computing kpt #: 293 total cpu time spent up to now is 119.2 secs Computing kpt #: 294 total cpu time spent up to now is 119.4 secs Computing kpt #: 295 total cpu time spent up to now is 119.6 secs Computing kpt #: 296 total cpu time spent up to now is 119.8 secs Computing kpt #: 297 total cpu time spent up to now is 120.2 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 120.9 secs Computing kpt #: 300 total cpu time spent up to now is 121.2 secs Computing kpt #: 301 total cpu time spent up to now is 121.5 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 122.2 secs Computing kpt #: 305 total cpu time spent up to now is 122.5 secs Computing kpt #: 306 total cpu time spent up to now is 122.8 secs Computing kpt #: 307 total cpu time spent up to now is 123.2 secs Computing kpt #: 308 total cpu time spent up to now is 123.5 secs Computing kpt #: 309 total cpu time spent up to now is 123.7 secs Computing kpt #: 310 total cpu time spent up to now is 124.0 secs Computing kpt #: 311 total cpu time spent up to now is 124.4 secs Computing kpt #: 312 total cpu time spent up to now is 124.8 secs Computing kpt #: 313 total cpu time spent up to now is 125.1 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 125.8 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 126.3 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 126.8 secs Computing kpt #: 321 total cpu time spent up to now is 127.1 secs Computing kpt #: 322 total cpu time spent up to now is 127.3 secs Computing kpt #: 323 total cpu time spent up to now is 127.6 secs Computing kpt #: 324 total cpu time spent up to now is 128.2 secs Computing kpt #: 325 total cpu time spent up to now is 128.5 secs Computing kpt #: 326 total cpu time spent up to now is 128.9 secs Computing kpt #: 327 total cpu time spent up to now is 129.5 secs Computing kpt #: 328 total cpu time spent up to now is 129.8 secs Computing kpt #: 329 total cpu time spent up to now is 130.2 secs Computing kpt #: 330 total cpu time spent up to now is 130.5 secs Computing kpt #: 331 total cpu time spent up to now is 130.8 secs Computing kpt #: 332 total cpu time spent up to now is 131.3 secs Computing kpt #: 333 total cpu time spent up to now is 131.7 secs Computing kpt #: 334 total cpu time spent up to now is 132.1 secs Computing kpt #: 335 total cpu time spent up to now is 132.5 secs Computing kpt #: 336 total cpu time spent up to now is 133.1 secs Computing kpt #: 337 total cpu time spent up to now is 133.6 secs Computing kpt #: 338 total cpu time spent up to now is 133.9 secs Computing kpt #: 339 total cpu time spent up to now is 134.3 secs Computing kpt #: 340 total cpu time spent up to now is 134.7 secs Computing kpt #: 341 total cpu time spent up to now is 134.9 secs Computing kpt #: 342 total cpu time spent up to now is 135.1 secs Computing kpt #: 343 total cpu time spent up to now is 135.3 secs Computing kpt #: 344 total cpu time spent up to now is 135.6 secs Computing kpt #: 345 total cpu time spent up to now is 135.8 secs Computing kpt #: 346 total cpu time spent up to now is 136.0 secs Computing kpt #: 347 total cpu time spent up to now is 136.6 secs Computing kpt #: 348 total cpu time spent up to now is 137.0 secs Computing kpt #: 349 total cpu time spent up to now is 137.4 secs Computing kpt #: 350 total cpu time spent up to now is 137.6 secs Computing kpt #: 351 total cpu time spent up to now is 137.9 secs Computing kpt #: 352 total cpu time spent up to now is 138.1 secs Computing kpt #: 353 total cpu time spent up to now is 138.3 secs Computing kpt #: 354 total cpu time spent up to now is 138.5 secs Computing kpt #: 355 total cpu time spent up to now is 138.7 secs Computing kpt #: 356 total cpu time spent up to now is 138.9 secs Computing kpt #: 357 total cpu time spent up to now is 139.2 secs Computing kpt #: 358 total cpu time spent up to now is 139.4 secs Computing kpt #: 359 total cpu time spent up to now is 139.6 secs Computing kpt #: 360 total cpu time spent up to now is 139.8 secs Computing kpt #: 361 total cpu time spent up to now is 140.1 secs Computing kpt #: 362 total cpu time spent up to now is 140.5 secs Computing kpt #: 363 total cpu time spent up to now is 140.8 secs Computing kpt #: 364 total cpu time spent up to now is 141.1 secs Computing kpt #: 365 total cpu time spent up to now is 141.4 secs Computing kpt #: 366 total cpu time spent up to now is 141.7 secs Computing kpt #: 367 total cpu time spent up to now is 141.9 secs Computing kpt #: 368 total cpu time spent up to now is 142.1 secs Computing kpt #: 369 total cpu time spent up to now is 142.3 secs Computing kpt #: 370 total cpu time spent up to now is 142.5 secs Computing kpt #: 371 total cpu time spent up to now is 142.7 secs Computing kpt #: 372 total cpu time spent up to now is 142.9 secs Computing kpt #: 373 total cpu time spent up to now is 143.1 secs Computing kpt #: 374 total cpu time spent up to now is 143.3 secs Computing kpt #: 375 total cpu time spent up to now is 143.5 secs Computing kpt #: 376 total cpu time spent up to now is 143.7 secs Computing kpt #: 377 total cpu time spent up to now is 143.9 secs Computing kpt #: 378 total cpu time spent up to now is 144.1 secs Computing kpt #: 379 total cpu time spent up to now is 144.3 secs Computing kpt #: 380 total cpu time spent up to now is 144.5 secs Computing kpt #: 381 total cpu time spent up to now is 144.7 secs Computing kpt #: 382 total cpu time spent up to now is 144.9 secs Computing kpt #: 383 total cpu time spent up to now is 145.1 secs Computing kpt #: 384 total cpu time spent up to now is 145.3 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 145.8 secs Computing kpt #: 387 total cpu time spent up to now is 146.1 secs Computing kpt #: 388 total cpu time spent up to now is 146.3 secs Computing kpt #: 389 total cpu time spent up to now is 146.7 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 147.3 secs Computing kpt #: 392 total cpu time spent up to now is 147.6 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 148.0 secs Computing kpt #: 395 total cpu time spent up to now is 148.2 secs Computing kpt #: 396 total cpu time spent up to now is 148.4 secs Computing kpt #: 397 total cpu time spent up to now is 148.6 secs Computing kpt #: 398 total cpu time spent up to now is 148.9 secs Computing kpt #: 399 total cpu time spent up to now is 149.1 secs Computing kpt #: 400 total cpu time spent up to now is 149.3 secs Computing kpt #: 401 total cpu time spent up to now is 149.5 secs Computing kpt #: 402 total cpu time spent up to now is 149.7 secs Computing kpt #: 403 total cpu time spent up to now is 149.9 secs Computing kpt #: 404 total cpu time spent up to now is 150.1 secs Computing kpt #: 405 total cpu time spent up to now is 150.3 secs Computing kpt #: 406 total cpu time spent up to now is 150.6 secs Computing kpt #: 407 total cpu time spent up to now is 150.9 secs Computing kpt #: 408 total cpu time spent up to now is 151.2 secs Computing kpt #: 409 total cpu time spent up to now is 151.6 secs Computing kpt #: 410 total cpu time spent up to now is 152.0 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 152.8 secs Computing kpt #: 413 total cpu time spent up to now is 153.2 secs Computing kpt #: 414 total cpu time spent up to now is 153.6 secs Computing kpt #: 415 total cpu time spent up to now is 153.9 secs Computing kpt #: 416 total cpu time spent up to now is 154.6 secs Computing kpt #: 417 total cpu time spent up to now is 154.9 secs Computing kpt #: 418 total cpu time spent up to now is 155.2 secs Computing kpt #: 419 total cpu time spent up to now is 155.9 secs Computing kpt #: 420 total cpu time spent up to now is 156.3 secs Computing kpt #: 421 total cpu time spent up to now is 156.7 secs Computing kpt #: 422 total cpu time spent up to now is 157.0 secs Computing kpt #: 423 total cpu time spent up to now is 157.3 secs Computing kpt #: 424 total cpu time spent up to now is 157.5 secs Computing kpt #: 425 total cpu time spent up to now is 157.7 secs Computing kpt #: 426 total cpu time spent up to now is 158.0 secs Computing kpt #: 427 total cpu time spent up to now is 158.2 secs Computing kpt #: 428 total cpu time spent up to now is 158.4 secs Computing kpt #: 429 total cpu time spent up to now is 158.7 secs Computing kpt #: 430 total cpu time spent up to now is 159.0 secs Computing kpt #: 431 total cpu time spent up to now is 159.3 secs Computing kpt #: 432 total cpu time spent up to now is 159.7 secs Computing kpt #: 433 total cpu time spent up to now is 160.0 secs Computing kpt #: 434 total cpu time spent up to now is 160.3 secs Computing kpt #: 435 total cpu time spent up to now is 160.7 secs Computing kpt #: 436 total cpu time spent up to now is 161.0 secs Computing kpt #: 437 total cpu time spent up to now is 161.3 secs Computing kpt #: 438 total cpu time spent up to now is 161.6 secs Computing kpt #: 439 total cpu time spent up to now is 161.8 secs Computing kpt #: 440 total cpu time spent up to now is 162.1 secs Computing kpt #: 441 total cpu time spent up to now is 162.4 secs Computing kpt #: 442 total cpu time spent up to now is 162.7 secs Computing kpt #: 443 total cpu time spent up to now is 163.2 secs Computing kpt #: 444 total cpu time spent up to now is 163.9 secs Computing kpt #: 445 total cpu time spent up to now is 164.1 secs Computing kpt #: 446 total cpu time spent up to now is 164.8 secs Computing kpt #: 447 total cpu time spent up to now is 165.1 secs Computing kpt #: 448 total cpu time spent up to now is 165.4 secs Computing kpt #: 449 total cpu time spent up to now is 165.7 secs Computing kpt #: 450 total cpu time spent up to now is 165.9 secs Computing kpt #: 451 total cpu time spent up to now is 166.2 secs Computing kpt #: 452 total cpu time spent up to now is 166.4 secs Computing kpt #: 453 total cpu time spent up to now is 166.7 secs Computing kpt #: 454 total cpu time spent up to now is 166.9 secs Computing kpt #: 455 total cpu time spent up to now is 167.2 secs Computing kpt #: 456 total cpu time spent up to now is 167.4 secs Computing kpt #: 457 total cpu time spent up to now is 167.7 secs ethr = 5.00E-11, avg # of iterations = 13.2 total cpu time spent up to now is 167.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1067 PWs) bands (ev): -61.8642 -61.8642 -31.7804 -31.7804 -20.8433 -20.8433 -20.8433 -20.8433 0.4503 0.4503 10.7519 10.7519 10.7519 10.7519 10.8907 10.8907 17.6210 17.6210 17.6210 17.6210 18.0312 18.0312 23.8097 23.8097 23.8097 23.8097 24.1346 24.1346 k = 0.0072-0.0042 0.0059 ( 1067 PWs) bands (ev): -61.8642 -61.8642 -31.7804 -31.7804 -20.8435 -20.8435 -20.8434 -20.8434 0.4513 0.4513 10.7503 10.7503 10.7534 10.7534 10.8908 10.8908 17.6138 17.6138 17.6265 17.6265 18.0351 18.0351 23.8012 23.8012 23.8175 23.8175 24.1345 24.1345 k = 0.0145-0.0084 0.0118 ( 1067 PWs) bands (ev): -61.8641 -61.8641 -31.7806 -31.7806 -20.8440 -20.8440 -20.8436 -20.8436 0.4542 0.4542 10.7474 10.7474 10.7560 10.7560 10.8912 10.8912 17.6039 17.6039 17.6313 17.6313 18.0468 18.0468 23.7920 23.7920 23.8246 23.8246 24.1341 24.1341 k = 0.0217-0.0126 0.0177 ( 1067 PWs) bands (ev): -61.8641 -61.8641 -31.7808 -31.7808 -20.8449 -20.8449 -20.8440 -20.8440 0.4591 0.4591 10.7425 10.7425 10.7601 10.7601 10.8924 10.8924 17.5907 17.5907 17.6361 17.6361 18.0663 18.0663 23.7820 23.7820 23.8309 23.8309 24.1334 24.1334 k = 0.0290-0.0167 0.0237 ( 1067 PWs) bands (ev): -61.8640 -61.8640 -31.7811 -31.7811 -20.8462 -20.8462 -20.8446 -20.8446 0.4659 0.4659 10.7350 10.7350 10.7657 10.7657 10.8947 10.8947 17.5737 17.5737 17.6414 17.6414 18.0935 18.0935 23.7713 23.7713 23.8364 23.8364 24.1324 24.1324 k = 0.0362-0.0209 0.0296 ( 1067 PWs) bands (ev): -61.8639 -61.8639 -31.7815 -31.7815 -20.8478 -20.8478 -20.8453 -20.8453 0.4746 0.4746 10.7245 10.7245 10.7730 10.7730 10.8987 10.8987 17.5526 17.5526 17.6476 17.6476 18.1283 18.1283 23.7598 23.7598 23.8411 23.8411 24.1311 24.1311 k = 0.0435-0.0251 0.0355 ( 1067 PWs) bands (ev): -61.8638 -61.8638 -31.7820 -31.7820 -20.8497 -20.8497 -20.8461 -20.8461 0.4853 0.4853 10.7108 10.7108 10.7819 10.7819 10.9049 10.9049 17.5273 17.5273 17.6548 17.6548 18.1705 18.1705 23.7474 23.7474 23.8447 23.8447 24.1293 24.1293 k = 0.0507-0.0293 0.0414 ( 1070 PWs) bands (ev): -61.8637 -61.8637 -31.7826 -31.7826 -20.8521 -20.8521 -20.8472 -20.8472 0.4978 0.4978 10.6937 10.6937 10.7924 10.7924 10.9133 10.9133 17.4979 17.4979 17.6632 17.6632 18.2200 18.2200 23.7340 23.7340 23.8473 23.8473 24.1270 24.1270 k = 0.0580-0.0335 0.0473 ( 1070 PWs) bands (ev): -61.8636 -61.8636 -31.7833 -31.7833 -20.8547 -20.8547 -20.8483 -20.8483 0.5121 0.5121 10.6734 10.6734 10.8045 10.8045 10.9242 10.9242 17.4645 17.4645 17.6728 17.6728 18.2765 18.2765 23.7194 23.7194 23.8487 23.8487 24.1240 24.1240 k = 0.0652-0.0377 0.0532 ( 1074 PWs) bands (ev): -61.8634 -61.8634 -31.7841 -31.7841 -20.8578 -20.8578 -20.8497 -20.8497 0.5283 0.5283 10.6500 10.6500 10.8182 10.8182 10.9374 10.9374 17.4271 17.4271 17.6836 17.6836 18.3399 18.3399 23.7036 23.7036 23.8487 23.8487 24.1204 24.1204 k = 0.0725-0.0418 0.0592 ( 1074 PWs) bands (ev): -61.8633 -61.8633 -31.7850 -31.7850 -20.8611 -20.8611 -20.8511 -20.8511 0.5462 0.5462 10.6239 10.6239 10.8335 10.8335 10.9529 10.9529 17.3860 17.3860 17.6958 17.6958 18.4098 18.4098 23.6864 23.6864 23.8473 23.8473 24.1159 24.1159 k = 0.0797-0.0460 0.0651 ( 1074 PWs) bands (ev): -61.8631 -61.8631 -31.7859 -31.7859 -20.8647 -20.8647 -20.8527 -20.8527 0.5659 0.5659 10.5952 10.5952 10.8504 10.8504 10.9706 10.9706 17.3414 17.3414 17.7091 17.7091 18.4860 18.4860 23.6677 23.6677 23.8442 23.8442 24.1104 24.1104 k = 0.0870-0.0502 0.0710 ( 1074 PWs) bands (ev): -61.8628 -61.8628 -31.7869 -31.7869 -20.8686 -20.8686 -20.8545 -20.8545 0.5872 0.5872 10.5644 10.5644 10.8689 10.8689 10.9905 10.9905 17.2935 17.2935 17.7238 17.7238 18.5683 18.5683 23.6473 23.6473 23.8392 23.8392 24.1038 24.1038 k = 0.0942-0.0544 0.0769 ( 1074 PWs) bands (ev): -61.8626 -61.8626 -31.7880 -31.7880 -20.8729 -20.8729 -20.8564 -20.8564 0.6102 0.6102 10.5316 10.5316 10.8889 10.8889 11.0124 11.0124 17.2423 17.2423 17.7396 17.7396 18.6564 18.6564 23.6250 23.6250 23.8322 23.8322 24.0959 24.0959 k = 0.1014-0.0586 0.0828 ( 1074 PWs) bands (ev): -61.8624 -61.8624 -31.7892 -31.7892 -20.8774 -20.8774 -20.8584 -20.8584 0.6348 0.6348 10.4972 10.4972 10.9106 10.9106 11.0362 11.0362 17.1883 17.1883 17.7568 17.7568 18.7501 18.7501 23.6006 23.6006 23.8230 23.8230 24.0865 24.0865 k = 0.1087-0.0628 0.0887 ( 1062 PWs) bands (ev): -61.8620 -61.8620 -31.7903 -31.7903 -20.8820 -20.8820 -20.8605 -20.8605 0.6609 0.6609 10.4614 10.4614 10.9338 10.9338 11.0621 11.0621 17.1317 17.1317 17.7751 17.7751 18.8489 18.8489 23.5741 23.5741 23.8115 23.8115 24.0755 24.0755 k = 0.1159-0.0669 0.0947 ( 1062 PWs) bands (ev): -61.8617 -61.8617 -31.7916 -31.7916 -20.8871 -20.8871 -20.8627 -20.8627 0.6885 0.6885 10.4245 10.4245 10.9586 10.9586 11.0897 11.0897 17.0726 17.0726 17.7946 17.7946 18.9527 18.9527 23.5451 23.5451 23.7973 23.7973 24.0626 24.0626 k = 0.1232-0.0711 0.1006 ( 1062 PWs) bands (ev): -61.8614 -61.8614 -31.7930 -31.7930 -20.8924 -20.8924 -20.8651 -20.8651 0.7174 0.7174 10.3867 10.3867 10.9849 10.9849 11.1192 11.1192 17.0114 17.0114 17.8152 17.8152 19.0611 19.0611 23.5135 23.5135 23.7804 23.7804 24.0476 24.0476 k = 0.1304-0.0753 0.1065 ( 1062 PWs) bands (ev): -61.8611 -61.8611 -31.7945 -31.7945 -20.8980 -20.8980 -20.8676 -20.8676 0.7477 0.7477 10.3482 10.3482 11.0128 11.0128 11.1504 11.1504 16.9482 16.9482 17.8369 17.8369 19.1739 19.1739 23.4792 23.4792 23.7605 23.7605 24.0303 24.0303 k = 0.1377-0.0795 0.1124 ( 1062 PWs) bands (ev): -61.8607 -61.8607 -31.7960 -31.7960 -20.9038 -20.9038 -20.8702 -20.8702 0.7792 0.7792 10.3093 10.3093 11.0421 11.0421 11.1834 11.1834 16.8835 16.8835 17.8597 17.8597 19.2906 19.2906 23.4421 23.4421 23.7374 23.7374 24.0105 24.0105 k = 0.1449-0.0837 0.1183 ( 1070 PWs) bands (ev): -61.8605 -61.8605 -31.7976 -31.7976 -20.9099 -20.9099 -20.8729 -20.8729 0.8119 0.8119 10.2701 10.2701 11.0729 11.0729 11.2181 11.2181 16.8173 16.8173 17.8835 17.8835 19.4110 19.4110 23.4019 23.4019 23.7111 23.7111 23.9880 23.9880 k = 0.1522-0.0879 0.1242 ( 1066 PWs) bands (ev): -61.8601 -61.8601 -31.7992 -31.7992 -20.9161 -20.9161 -20.8756 -20.8756 0.8458 0.8458 10.2309 10.2309 11.1052 11.1052 11.2545 11.2545 16.7501 16.7501 17.9084 17.9084 19.5347 19.5347 23.3588 23.3588 23.6815 23.6815 23.9627 23.9627 k = 0.1594-0.0920 0.1302 ( 1066 PWs) bands (ev): -61.8597 -61.8597 -31.8009 -31.8009 -20.9226 -20.9226 -20.8785 -20.8785 0.8806 0.8806 10.1919 10.1919 11.1390 11.1390 11.2924 11.2924 16.6820 16.6820 17.9342 17.9342 19.6613 19.6613 23.3125 23.3125 23.6482 23.6482 23.9344 23.9344 k = 0.1667-0.0962 0.1361 ( 1066 PWs) bands (ev): -61.8594 -61.8594 -31.8026 -31.8026 -20.9291 -20.9291 -20.8815 -20.8815 0.9163 0.9163 10.1532 10.1532 11.1742 11.1742 11.3320 11.3320 16.6134 16.6134 17.9609 17.9609 19.7903 19.7903 23.2631 23.2631 23.6112 23.6112 23.9030 23.9030 k = 0.1739-0.1004 0.1420 ( 1066 PWs) bands (ev): -61.8590 -61.8590 -31.8044 -31.8044 -20.9359 -20.9359 -20.8846 -20.8846 0.9529 0.9529 10.1149 10.1149 11.2108 11.2108 11.3732 11.3732 16.5445 16.5445 17.9885 17.9885 19.9212 19.9212 23.2106 23.2106 23.5705 23.5705 23.8685 23.8685 k = 0.1812-0.1046 0.1479 ( 1066 PWs) bands (ev): -61.8586 -61.8586 -31.8062 -31.8062 -20.9428 -20.9428 -20.8877 -20.8877 0.9902 0.9902 10.0773 10.0773 11.2488 11.2488 11.4158 11.4158 16.4755 16.4755 18.0169 18.0169 20.0535 20.0535 23.1552 23.1552 23.5260 23.5260 23.8308 23.8308 k = 0.1884-0.1088 0.1538 ( 1070 PWs) bands (ev): -61.8582 -61.8582 -31.8081 -31.8081 -20.9498 -20.9498 -20.8909 -20.8909 1.0282 1.0282 10.0404 10.0404 11.2882 11.2882 11.4599 11.4599 16.4067 16.4067 18.0461 18.0461 20.1865 20.1865 23.0971 23.0971 23.4776 23.4776 23.7901 23.7901 k = 0.1957-0.1130 0.1597 ( 1070 PWs) bands (ev): -61.8578 -61.8578 -31.8100 -31.8100 -20.9570 -20.9570 -20.8942 -20.8942 1.0668 1.0668 10.0044 10.0044 11.3288 11.3288 11.5055 11.5055 16.3383 16.3383 18.0760 18.0760 20.3195 20.3195 23.0366 23.0366 23.4254 23.4254 23.7466 23.7466 k = 0.2029-0.1171 0.1657 ( 1070 PWs) bands (ev): -61.8574 -61.8574 -31.8119 -31.8119 -20.9642 -20.9642 -20.8975 -20.8975 1.1058 1.1058 9.9694 9.9694 11.3707 11.3707 11.5525 11.5525 16.2706 16.2706 18.1066 18.1066 20.4512 20.4512 22.9740 22.9740 23.3694 23.3694 23.7007 23.7007 k = 0.2101-0.1213 0.1716 ( 1070 PWs) bands (ev): -61.8570 -61.8570 -31.8139 -31.8139 -20.9715 -20.9715 -20.9008 -20.9008 1.1452 1.1452 9.9355 9.9355 11.4139 11.4139 11.6007 11.6007 16.2038 16.2038 18.1379 18.1379 20.5807 20.5807 22.9100 22.9100 23.3097 23.3097 23.6531 23.6531 k = 0.2174-0.1255 0.1775 ( 1070 PWs) bands (ev): -61.8566 -61.8566 -31.8158 -31.8158 -20.9789 -20.9789 -20.9042 -20.9042 1.1849 1.1849 9.9027 9.9027 11.4582 11.4582 11.6503 11.6503 16.1382 16.1382 18.1697 18.1697 20.7062 20.7062 22.8450 22.8450 23.2463 23.2463 23.6045 23.6045 k = 0.2246-0.1297 0.1834 ( 1070 PWs) bands (ev): -61.8562 -61.8562 -31.8178 -31.8178 -20.9863 -20.9863 -20.9076 -20.9076 1.2248 1.2248 9.8712 9.8712 11.5037 11.5037 11.7011 11.7011 16.0739 16.0739 18.2021 18.2021 20.8257 20.8257 22.7800 22.7800 23.1794 23.1794 23.5562 23.5562 k = 0.2319-0.1339 0.1893 ( 1070 PWs) bands (ev): -61.8557 -61.8557 -31.8198 -31.8198 -20.9938 -20.9938 -20.9110 -20.9110 1.2647 1.2647 9.8409 9.8409 11.5503 11.5503 11.7530 11.7530 16.0112 16.0112 18.2348 18.2348 20.9367 20.9367 22.7158 22.7158 23.1092 23.1092 23.5099 23.5099 k = 0.2391-0.1381 0.1952 ( 1062 PWs) bands (ev): -61.8552 -61.8552 -31.8217 -31.8217 -21.0012 -21.0012 -20.9144 -20.9144 1.3046 1.3046 9.8121 9.8121 11.5979 11.5979 11.8061 11.8061 15.9504 15.9504 18.2681 18.2681 21.0361 21.0361 22.6533 22.6533 23.0360 23.0360 23.4680 23.4680 k = 0.2464-0.1422 0.2012 ( 1062 PWs) bands (ev): -61.8548 -61.8548 -31.8237 -31.8237 -21.0087 -21.0087 -20.9178 -20.9178 1.3445 1.3445 9.7847 9.7847 11.6465 11.6465 11.8602 11.8602 15.8915 15.8915 18.3016 18.3016 21.1202 21.1202 22.5930 22.5930 22.9600 22.9600 23.4336 23.4336 k = 0.2536-0.1464 0.2071 ( 1062 PWs) bands (ev): -61.8543 -61.8543 -31.8257 -31.8257 -21.0162 -21.0162 -20.9213 -20.9213 1.3841 1.3841 9.7587 9.7587 11.6960 11.6960 11.9153 11.9153 15.8348 15.8348 18.3353 18.3353 21.1853 21.1853 22.5350 22.5350 22.8815 22.8815 23.4107 23.4107 k = 0.2609-0.1506 0.2130 ( 1066 PWs) bands (ev): -61.8539 -61.8539 -31.8278 -31.8278 -21.0237 -21.0237 -20.9248 -20.9248 1.4234 1.4234 9.7342 9.7342 11.7463 11.7463 11.9712 11.9712 15.7805 15.7805 18.3693 18.3693 21.2281 21.2281 22.4783 22.4783 22.8009 22.8009 23.4040 23.4040 k = 0.2681-0.1548 0.2189 ( 1074 PWs) bands (ev): -61.8536 -61.8536 -31.8299 -31.8299 -21.0311 -21.0311 -20.9283 -20.9283 1.4623 1.4623 9.7112 9.7112 11.7974 11.7974 12.0280 12.0280 15.7287 15.7287 18.4032 18.4032 21.2464 21.2464 22.4208 22.4208 22.7183 22.7183 23.4179 23.4179 k = 0.2754-0.1590 0.2248 ( 1074 PWs) bands (ev): -61.8532 -61.8532 -31.8319 -31.8319 -21.0385 -21.0385 -20.9318 -20.9318 1.5008 1.5008 9.6897 9.6897 11.8492 11.8492 12.0854 12.0854 15.6797 15.6797 18.4373 18.4373 21.2403 21.2403 22.3602 22.3602 22.6339 22.6339 23.4558 23.4558 k = 0.2826-0.1632 0.2307 ( 1074 PWs) bands (ev): -61.8527 -61.8527 -31.8338 -31.8338 -21.0457 -21.0457 -20.9352 -20.9352 1.5387 1.5387 9.6696 9.6696 11.9017 11.9017 12.1435 12.1435 15.6336 15.6336 18.4713 18.4713 21.2115 21.2115 22.2940 22.2940 22.5478 22.5478 23.5186 23.5186 k = 0.2899-0.1673 0.2367 ( 1074 PWs) bands (ev): -61.8523 -61.8523 -31.8358 -31.8358 -21.0529 -21.0529 -20.9385 -20.9385 1.5759 1.5759 9.6511 9.6511 11.9546 11.9546 12.2022 12.2022 15.5905 15.5905 18.5052 18.5052 21.1633 21.1633 22.2215 22.2215 22.4601 22.4601 23.6050 23.6050 k = 0.2971-0.1715 0.2426 ( 1078 PWs) bands (ev): -61.8519 -61.8519 -31.8378 -31.8378 -21.0599 -21.0599 -20.9421 -20.9421 1.6124 1.6124 9.6339 9.6339 12.0080 12.0080 12.2612 12.2612 15.5505 15.5505 18.5388 18.5388 21.0991 21.0991 22.1426 22.1426 22.3706 22.3706 23.7123 23.7123 k = 0.3043-0.1757 0.2485 ( 1078 PWs) bands (ev): -61.8515 -61.8515 -31.8397 -31.8397 -21.0669 -21.0669 -20.9453 -20.9453 1.6482 1.6482 9.6182 9.6182 12.0617 12.0617 12.3205 12.3205 15.5139 15.5139 18.5723 18.5723 21.0221 21.0221 22.0583 22.0583 22.2795 22.2795 23.8372 23.8372 k = 0.3116-0.1799 0.2544 ( 1078 PWs) bands (ev): -61.8511 -61.8511 -31.8415 -31.8415 -21.0738 -21.0738 -20.9486 -20.9486 1.6830 1.6830 9.6039 9.6039 12.1156 12.1156 12.3800 12.3800 15.4806 15.4806 18.6053 18.6053 20.9352 20.9352 21.9697 21.9697 22.1870 22.1870 23.9765 23.9765 k = 0.3188-0.1841 0.2603 ( 1078 PWs) bands (ev): -61.8507 -61.8507 -31.8434 -31.8434 -21.0805 -21.0805 -20.9517 -20.9517 1.7170 1.7170 9.5908 9.5908 12.1696 12.1696 12.4396 12.4396 15.4508 15.4508 18.6379 18.6379 20.8407 20.8407 21.8780 21.8780 22.0933 22.0933 24.1274 24.1274 k = 0.3261-0.1883 0.2662 ( 1078 PWs) bands (ev): -61.8503 -61.8503 -31.8452 -31.8452 -21.0870 -21.0870 -20.9548 -20.9548 1.7499 1.7499 9.5791 9.5791 12.2235 12.2235 12.4991 12.4991 15.4246 15.4246 18.6700 18.6700 20.7403 20.7403 21.7842 21.7842 21.9988 21.9988 24.2877 24.2877 k = 0.3333-0.1925 0.2722 ( 1078 PWs) bands (ev): -61.8499 -61.8499 -31.8469 -31.8469 -21.0934 -21.0934 -20.9578 -20.9578 1.7818 1.7818 9.5685 9.5685 12.2773 12.2773 12.5584 12.5584 15.4020 15.4020 18.7014 18.7014 20.6355 20.6355 21.6892 21.6892 21.9039 21.9039 24.4556 24.4556 k = 0.3406-0.1966 0.2781 ( 1078 PWs) bands (ev): -61.8496 -61.8496 -31.8486 -31.8486 -21.0996 -21.0996 -20.9608 -20.9608 1.8125 1.8125 9.5591 9.5591 12.3308 12.3308 12.6172 12.6172 15.3829 15.3829 18.7322 18.7322 20.5275 20.5275 21.5938 21.5938 21.8089 21.8089 24.6297 24.6297 k = 0.3478-0.2008 0.2840 ( 1070 PWs) bands (ev): -61.8491 -61.8491 -31.8502 -31.8502 -21.1055 -21.1055 -20.9635 -20.9635 1.8421 1.8421 9.5508 9.5508 12.3839 12.3839 12.6756 12.6756 15.3676 15.3676 18.7621 18.7621 20.4173 20.4173 21.4987 21.4987 21.7145 21.7145 24.8090 24.8090 k = 0.3551-0.2050 0.2899 ( 1070 PWs) bands (ev): -61.8488 -61.8488 -31.8518 -31.8518 -21.1113 -21.1113 -20.9663 -20.9663 1.8705 1.8705 9.5434 9.5434 12.4363 12.4363 12.7332 12.7332 15.3557 15.3557 18.7911 18.7911 20.3057 20.3057 21.4045 21.4045 21.6207 21.6207 24.9926 24.9926 k = 0.3623-0.2092 0.2958 ( 1070 PWs) bands (ev): -61.8484 -61.8484 -31.8533 -31.8533 -21.1169 -21.1169 -20.9690 -20.9690 1.8977 1.8977 9.5370 9.5370 12.4879 12.4879 12.7899 12.7899 15.3474 15.3474 18.8190 18.8190 20.1936 20.1936 21.3118 21.3118 21.5282 21.5282 25.1798 25.1798 k = 0.3696-0.2134 0.3017 ( 1074 PWs) bands (ev): -61.8481 -61.8481 -31.8549 -31.8549 -21.1224 -21.1224 -20.9715 -20.9715 1.9236 1.9236 9.5314 9.5314 12.5386 12.5386 12.8455 12.8455 15.3426 15.3426 18.8459 18.8459 20.0816 20.0816 21.2210 21.2210 21.4372 21.4372 25.3701 25.3701 k = 0.3768-0.2176 0.3077 ( 1082 PWs) bands (ev): -61.8479 -61.8479 -31.8564 -31.8564 -21.1276 -21.1276 -20.9740 -20.9740 1.9482 1.9482 9.5267 9.5267 12.5882 12.5882 12.8998 12.8998 15.3410 15.3410 18.8716 18.8716 19.9703 19.9703 21.1327 21.1327 21.3481 21.3481 25.5629 25.5629 k = 0.3841-0.2217 0.3136 ( 1082 PWs) bands (ev): -61.8476 -61.8476 -31.8577 -31.8577 -21.1325 -21.1325 -20.9764 -20.9764 1.9714 1.9714 9.5226 9.5226 12.6365 12.6365 12.9526 12.9526 15.3427 15.3427 18.8959 18.8959 19.8604 19.8604 21.0472 21.0472 21.2615 21.2615 25.7579 25.7579 k = 0.3913-0.2259 0.3195 ( 1082 PWs) bands (ev): -61.8473 -61.8473 -31.8590 -31.8590 -21.1372 -21.1372 -20.9786 -20.9786 1.9933 1.9933 9.5192 9.5192 12.6833 12.6833 13.0037 13.0037 15.3473 15.3473 18.9189 18.9189 19.7526 19.7526 20.9651 20.9651 21.1776 21.1776 25.9547 25.9547 k = 0.3986-0.2301 0.3254 ( 1082 PWs) bands (ev): -61.8471 -61.8471 -31.8602 -31.8602 -21.1416 -21.1416 -20.9807 -20.9807 2.0139 2.0139 9.5163 9.5163 12.7284 12.7284 13.0530 13.0530 15.3546 15.3546 18.9403 18.9403 19.6475 19.6475 20.8866 20.8866 21.0968 21.0968 26.1531 26.1531 k = 0.4058-0.2343 0.3313 ( 1082 PWs) bands (ev): -61.8468 -61.8468 -31.8614 -31.8614 -21.1457 -21.1457 -20.9827 -20.9827 2.0330 2.0330 9.5139 9.5139 12.7716 12.7716 13.1001 13.1001 15.3643 15.3643 18.9600 18.9600 19.5459 19.5459 20.8122 20.8122 21.0196 21.0196 26.3528 26.3528 k = 0.4130-0.2385 0.3372 ( 1082 PWs) bands (ev): -61.8466 -61.8466 -31.8625 -31.8625 -21.1495 -21.1495 -20.9845 -20.9845 2.0508 2.0508 9.5120 9.5120 12.8127 12.8127 13.1448 13.1448 15.3761 15.3761 18.9777 18.9777 19.4484 19.4484 20.7421 20.7421 20.9462 20.9462 26.5534 26.5534 k = 0.4203-0.2427 0.3432 ( 1082 PWs) bands (ev): -61.8464 -61.8464 -31.8634 -31.8634 -21.1531 -21.1531 -20.9863 -20.9863 2.0671 2.0671 9.5104 9.5104 12.8515 12.8515 13.1870 13.1870 15.3896 15.3896 18.9932 18.9932 19.3562 19.3562 20.6766 20.6766 20.8770 20.8770 26.7549 26.7549 k = 0.4275-0.2468 0.3491 ( 1082 PWs) bands (ev): -61.8461 -61.8461 -31.8644 -31.8644 -21.1563 -21.1563 -20.9878 -20.9878 2.0821 2.0821 9.5092 9.5092 12.8878 12.8878 13.2264 13.2264 15.4045 15.4045 19.0056 19.0056 19.2705 19.2705 20.6160 20.6160 20.8124 20.8124 26.9569 26.9569 k = 0.4348-0.2510 0.3550 ( 1082 PWs) bands (ev): -61.8460 -61.8460 -31.8652 -31.8652 -21.1593 -21.1593 -20.9893 -20.9893 2.0956 2.0956 9.5082 9.5082 12.9214 12.9214 13.2628 13.2628 15.4202 15.4202 19.0128 19.0128 19.1940 19.1940 20.5606 20.5606 20.7528 20.7528 27.1591 27.1591 k = 0.4420-0.2552 0.3609 ( 1082 PWs) bands (ev): -61.8458 -61.8458 -31.8659 -31.8659 -21.1620 -21.1620 -20.9906 -20.9906 2.1077 2.1077 9.5075 9.5075 12.9521 12.9521 13.2960 13.2960 15.4362 15.4362 19.0088 19.0088 19.1336 19.1336 20.5105 20.5105 20.6984 20.6984 27.3615 27.3615 k = 0.4493-0.2594 0.3668 ( 1082 PWs) bands (ev): -61.8456 -61.8456 -31.8666 -31.8666 -21.1644 -21.1644 -20.9917 -20.9917 2.1184 2.1184 9.5069 9.5069 12.9797 12.9797 13.3258 13.3258 15.4521 15.4521 18.9826 18.9826 19.1008 19.1008 20.4659 20.4659 20.6496 20.6496 27.5636 27.5636 k = 0.4565-0.2636 0.3727 ( 1082 PWs) bands (ev): -61.8455 -61.8455 -31.8672 -31.8672 -21.1664 -21.1664 -20.9927 -20.9927 2.1276 2.1276 9.5065 9.5065 13.0040 13.0040 13.3520 13.3520 15.4672 15.4672 18.9384 18.9384 19.0921 19.0921 20.4271 20.4271 20.6066 20.6066 27.7652 27.7652 k = 0.4638-0.2678 0.3787 ( 1082 PWs) bands (ev): -61.8454 -61.8454 -31.8677 -31.8677 -21.1682 -21.1682 -20.9936 -20.9936 2.1355 2.1355 9.5062 9.5062 13.0249 13.0249 13.3745 13.3745 15.4811 15.4811 18.8917 18.8917 19.0927 19.0927 20.3940 20.3940 20.5698 20.5698 27.9658 27.9658 k = 0.4710-0.2719 0.3846 ( 1090 PWs) bands (ev): -61.8454 -61.8454 -31.8681 -31.8681 -21.1697 -21.1697 -20.9943 -20.9943 2.1418 2.1418 9.5059 9.5059 13.0422 13.0422 13.3931 13.3931 15.4933 15.4933 18.8501 18.8501 19.0956 19.0956 20.3668 20.3668 20.5393 20.5393 28.1649 28.1649 k = 0.4783-0.2761 0.3905 ( 1098 PWs) bands (ev): -61.8454 -61.8454 -31.8685 -31.8685 -21.1710 -21.1710 -20.9949 -20.9949 2.1468 2.1468 9.5058 9.5058 13.0557 13.0557 13.4077 13.4077 15.5033 15.5033 18.8162 18.8162 19.0986 19.0986 20.3455 20.3455 20.5153 20.5153 28.3614 28.3614 k = 0.4855-0.2803 0.3964 ( 1098 PWs) bands (ev): -61.8454 -61.8454 -31.8688 -31.8688 -21.1718 -21.1718 -20.9953 -20.9953 2.1504 2.1504 9.5057 9.5057 13.0655 13.0655 13.4182 13.4182 15.5108 15.5108 18.7914 18.7914 19.1010 19.1010 20.3303 20.3303 20.4982 20.4982 28.5522 28.5522 k = 0.4928-0.2845 0.4023 ( 1098 PWs) bands (ev): -61.8453 -61.8453 -31.8689 -31.8689 -21.1723 -21.1723 -20.9955 -20.9955 2.1525 2.1525 9.5056 9.5056 13.0714 13.0714 13.4245 13.4245 15.5154 15.5154 18.7763 18.7763 19.1026 19.1026 20.3212 20.3212 20.4878 20.4878 28.7269 28.7269 k = 0.5000-0.2887 0.4082 ( 1106 PWs) bands (ev): -61.8454 -61.8454 -31.8690 -31.8690 -21.1726 -21.1726 -20.9957 -20.9957 2.1532 2.1532 9.5056 9.5056 13.0733 13.0733 13.4266 13.4266 15.5169 15.5169 18.7711 18.7711 19.1031 19.1031 20.3181 20.3181 20.4843 20.4843 28.8229 28.8229 k = 0.5000-0.2887 0.4082 ( 1106 PWs) bands (ev): -61.8454 -61.8454 -31.8690 -31.8690 -21.1726 -21.1726 -20.9957 -20.9957 2.1532 2.1532 9.5056 9.5056 13.0733 13.0733 13.4266 13.4266 15.5169 15.5169 18.7711 18.7711 19.1031 19.1031 20.3181 20.3181 20.4843 20.4843 28.8229 28.8229 k = 0.5000-0.2804 0.4141 ( 1098 PWs) bands (ev): -61.8453 -61.8453 -31.8693 -31.8686 -21.1738 -21.1710 -20.9957 -20.9957 2.1454 2.1611 9.5061 9.5081 13.0699 13.0750 13.4240 13.4272 15.5086 15.5242 18.7303 18.8010 19.0803 19.1253 20.2821 20.3528 20.4724 20.5144 28.8203 28.8266 k = 0.5000-0.2722 0.4199 ( 1098 PWs) bands (ev): -61.8453 -61.8453 -31.8696 -31.8682 -21.1750 -21.1695 -20.9959 -20.9959 2.1377 2.1689 9.5097 9.5135 13.0646 13.0748 13.4194 13.4257 15.4992 15.5304 18.6785 18.8202 19.0597 19.1433 20.2540 20.3787 20.4723 20.5670 28.8188 28.8314 k = 0.5000-0.2639 0.4257 ( 1098 PWs) bands (ev): -61.8453 -61.8453 -31.8700 -31.8679 -21.1761 -21.1678 -20.9962 -20.9962 2.1301 2.1769 9.5163 9.5220 13.0577 13.0725 13.4131 13.4220 15.4888 15.5356 18.6171 18.8298 19.0424 19.1538 20.2395 20.3968 20.4804 20.6384 28.8184 28.8373 k = 0.5000-0.2557 0.4316 ( 1096 PWs) bands (ev): -61.8453 -61.8453 -31.8703 -31.8675 -21.1770 -21.1661 -20.9966 -20.9965 2.1226 2.1848 9.5258 9.5335 13.0490 13.0678 13.4054 13.4163 15.4773 15.5398 18.5483 18.8301 19.0286 19.1555 20.2406 20.4113 20.4958 20.7224 28.8191 28.8442 k = 0.5000-0.2474 0.4374 ( 1092 PWs) bands (ev): -61.8453 -61.8453 -31.8706 -31.8671 -21.1779 -21.1642 -20.9971 -20.9970 2.1153 2.1928 9.5384 9.5480 13.0384 13.0604 13.3966 13.4087 15.4650 15.5430 18.4741 18.8210 19.0177 19.1495 20.2562 20.4250 20.5186 20.8143 28.8210 28.8523 k = 0.5000-0.2392 0.4432 ( 1084 PWs) bands (ev): -61.8452 -61.8452 -31.8709 -31.8667 -21.1785 -21.1621 -20.9977 -20.9975 2.1081 2.2007 9.5539 9.5655 13.0258 13.0500 13.3871 13.3992 15.4517 15.5453 18.3966 18.8018 19.0092 19.1387 20.2828 20.4393 20.5497 20.9114 28.8242 28.8616 k = 0.5000-0.2309 0.4491 ( 1084 PWs) bands (ev): -61.8452 -61.8452 -31.8712 -31.8664 -21.1792 -21.1600 -20.9986 -20.9983 2.1010 2.2086 9.5724 9.5859 13.0109 13.0361 13.3772 13.3882 15.4376 15.5466 18.3173 18.7721 19.0025 19.1268 20.3161 20.4546 20.5901 21.0119 28.8286 28.8721 k = 0.5000-0.2227 0.4549 ( 1084 PWs) bands (ev): -61.8452 -61.8452 -31.8716 -31.8660 -21.1798 -21.1579 -20.9996 -20.9991 2.0940 2.2164 9.5937 9.6092 12.9935 13.0184 13.3675 13.3758 15.4226 15.5471 18.2372 18.7323 18.9973 19.1163 20.3520 20.4711 20.6405 21.1146 28.8344 28.8838 k = 0.5000-0.2144 0.4607 ( 1076 PWs) bands (ev): -61.8451 -61.8451 -31.8718 -31.8656 -21.1801 -21.1554 -21.0006 -21.0000 2.0873 2.2242 9.6180 9.6354 12.9734 12.9966 13.3582 13.3626 15.4071 15.5469 18.1576 18.6840 18.9933 19.1085 20.3879 20.4890 20.7008 21.2185 28.8417 28.8968 k = 0.5000-0.2062 0.4666 ( 1076 PWs) bands (ev): -61.8451 -61.8451 -31.8721 -31.8653 -21.1804 -21.1531 -21.0019 -21.0010 2.0807 2.2319 9.6450 9.6644 12.9502 12.9705 13.3486 13.3497 15.3908 15.5459 18.0790 18.6291 18.9902 19.1035 20.4224 20.5081 20.7696 21.3228 28.8505 28.9111 k = 0.5000-0.1979 0.4724 ( 1080 PWs) bands (ev): -61.8451 -61.8451 -31.8725 -31.8650 -21.1807 -21.1506 -21.0033 -21.0021 2.0743 2.2395 9.6748 9.6963 12.9237 12.9399 13.3344 13.3420 15.3741 15.5443 18.0020 18.5698 18.9879 19.1008 20.4555 20.5283 20.8450 21.4270 28.8609 28.9269 k = 0.5000-0.1897 0.4782 ( 1080 PWs) bands (ev): -61.8451 -61.8451 -31.8728 -31.8647 -21.1809 -21.1481 -21.0048 -21.0033 2.0681 2.2469 9.7074 9.7309 12.8936 12.9049 13.3201 13.3354 15.3570 15.5422 17.9272 18.5079 18.9864 19.1002 20.4875 20.5496 20.9250 21.5304 28.8731 28.9441 k = 0.5000-0.1815 0.4841 ( 1080 PWs) bands (ev): -61.8451 -61.8451 -31.8731 -31.8644 -21.1810 -21.1454 -21.0065 -21.0045 2.0621 2.2542 9.7426 9.7681 12.8597 12.8656 13.3063 13.3298 15.3396 15.5395 17.8549 18.4449 18.9854 19.1008 20.5189 20.5718 21.0081 21.6327 28.8872 28.9627 k = 0.5000-0.1732 0.4899 ( 1084 PWs) bands (ev): -61.8452 -61.8452 -31.8734 -31.8642 -21.1810 -21.1427 -21.0083 -21.0058 2.0563 2.2613 9.7805 9.8081 12.8219 12.8222 13.2929 13.3251 15.3220 15.5364 17.7855 18.3819 18.9850 19.1025 20.5498 20.5946 21.0926 21.7333 28.9032 28.9826 k = 0.5000-0.1650 0.4957 ( 1084 PWs) bands (ev): -61.8452 -61.8452 -31.8737 -31.8639 -21.1809 -21.1399 -21.0101 -21.0071 2.0508 2.2683 9.8208 9.8506 12.7749 12.7802 13.2803 13.3213 15.3043 15.5330 17.7190 18.3197 18.9850 19.1049 20.5806 20.6181 21.1776 21.8319 28.9213 29.0037 k = 0.5000-0.1567 0.5016 ( 1086 PWs) bands (ev): -61.8452 -61.8452 -31.8740 -31.8636 -21.1808 -21.1370 -21.0122 -21.0085 2.0455 2.2751 9.8636 9.8955 12.7240 12.7347 13.2685 13.3181 15.2867 15.5293 17.6558 18.2590 18.9853 19.1078 20.6112 20.6419 21.2621 21.9281 28.9416 29.0253 k = 0.5000-0.1485 0.5074 ( 1082 PWs) bands (ev): -61.8452 -61.8452 -31.8742 -31.8633 -21.1805 -21.1340 -21.0143 -21.0098 2.0404 2.2816 9.9088 9.9429 12.6698 12.6854 13.2575 13.3156 15.2693 15.5255 17.5959 18.2004 18.9860 19.1109 20.6415 20.6659 21.3454 22.0216 28.9642 29.0463 k = 0.5000-0.1402 0.5132 ( 1082 PWs) bands (ev): -61.8452 -61.8452 -31.8745 -31.8631 -21.1803 -21.1309 -21.0165 -21.0112 2.0356 2.2879 9.9562 9.9925 12.6127 12.6325 13.2475 13.3135 15.2522 15.5214 17.5395 18.1441 18.9870 19.1143 20.6716 20.6899 21.4268 22.1120 28.9892 29.0638 k = 0.5000-0.1320 0.5191 ( 1082 PWs) bands (ev): -61.8452 -61.8452 -31.8747 -31.8629 -21.1800 -21.1278 -21.0188 -21.0126 2.0310 2.2939 10.0057 10.0443 12.5528 12.5764 13.2382 13.3118 15.2354 15.5173 17.4865 18.0905 18.9881 19.1177 20.7013 20.7138 21.5058 22.1990 29.0167 29.0753 k = 0.5000-0.1237 0.5249 ( 1080 PWs) bands (ev): -61.8451 -61.8451 -31.8749 -31.8626 -21.1796 -21.1247 -21.0212 -21.0139 2.0266 2.2997 10.0571 10.0982 12.4907 12.5172 13.2298 13.3105 15.2192 15.5132 17.4371 18.0397 18.9894 19.1212 20.7303 20.7373 21.5820 22.2823 29.0465 29.0819 k = 0.5000-0.1155 0.5307 ( 1080 PWs) bands (ev): -61.8451 -61.8451 -31.8752 -31.8624 -21.1792 -21.1215 -21.0237 -21.0153 2.0226 2.3052 10.1103 10.1539 12.4265 12.4555 13.2222 13.3094 15.2035 15.5092 17.3912 17.9920 18.9908 19.1246 20.7587 20.7603 21.6549 22.3616 29.0781 29.0860 k = 0.5000-0.1072 0.5366 ( 1080 PWs) bands (ev): -61.8451 -61.8451 -31.8754 -31.8622 -21.1788 -21.1183 -21.0263 -21.0166 2.0188 2.3104 10.1651 10.2113 12.3607 12.3914 13.2152 13.3085 15.1885 15.5052 17.3488 17.9474 18.9923 19.1280 20.7825 20.7861 21.7242 22.4367 29.0893 29.1041 k = 0.5000-0.0990 0.5424 ( 1080 PWs) bands (ev): -61.8451 -61.8451 -31.8756 -31.8620 -21.1784 -21.1150 -21.0290 -21.0179 2.0152 2.3152 10.2213 10.2701 12.2937 12.3255 13.2089 13.3078 15.1743 15.5013 17.3099 17.9061 18.9939 19.1312 20.8039 20.8124 21.7896 22.5072 29.0924 29.1104 k = 0.5000-0.0907 0.5482 ( 1080 PWs) bands (ev): -61.8451 -61.8451 -31.8757 -31.8618 -21.1780 -21.1117 -21.0317 -21.0192 2.0119 2.3198 10.2785 10.3302 12.2258 12.2582 13.2033 13.3072 15.1610 15.4976 17.2744 17.8680 18.9954 19.1343 20.8242 20.8374 21.8508 22.5731 29.0956 29.1120 k = 0.5000-0.0825 0.5541 ( 1082 PWs) bands (ev): -61.8452 -61.8452 -31.8759 -31.8617 -21.1775 -21.1084 -21.0345 -21.0204 2.0089 2.3239 10.3364 10.3911 12.1578 12.1900 13.1982 13.3068 15.1485 15.4941 17.2422 17.8333 18.9969 19.1371 20.8433 20.8609 21.9076 22.6340 29.0992 29.1132 k = 0.5000-0.0742 0.5599 ( 1082 PWs) bands (ev): -61.8451 -61.8451 -31.8760 -31.8615 -21.1771 -21.1052 -21.0374 -21.0215 2.0062 2.3278 10.3946 10.4524 12.0899 12.1215 13.1937 13.3064 15.1371 15.4909 17.2134 17.8018 18.9984 19.1398 20.8611 20.8828 21.9596 22.6897 29.1031 29.1144 k = 0.5000-0.0660 0.5657 ( 1082 PWs) bands (ev): -61.8451 -61.8451 -31.8762 -31.8614 -21.1767 -21.1019 -21.0402 -21.0225 2.0038 2.3312 10.4524 10.5137 12.0231 12.0533 13.1897 13.3060 15.1268 15.4879 17.1878 17.7738 18.9998 19.1422 20.8773 20.9028 22.0067 22.7401 29.1072 29.1157 k = 0.5000-0.0577 0.5715 ( 1082 PWs) bands (ev): -61.8451 -61.8451 -31.8763 -31.8613 -21.1763 -21.0987 -21.0431 -21.0234 2.0016 2.3343 10.5093 10.5742 11.9581 11.9864 13.1862 13.3058 15.1175 15.4852 17.1654 17.7490 19.0011 19.1444 20.8920 20.9209 22.0487 22.7850 29.1116 29.1171 k = 0.5000-0.0495 0.5774 ( 1078 PWs) bands (ev): -61.8451 -61.8451 -31.8763 -31.8611 -21.1759 -21.0955 -21.0459 -21.0242 1.9998 2.3370 10.5641 10.6329 11.8959 11.9218 13.1833 13.3056 15.1094 15.4829 17.1461 17.7276 19.0022 19.1463 20.9050 20.9369 22.0855 22.8242 29.1160 29.1185 k = 0.5000-0.0412 0.5832 ( 1080 PWs) bands (ev): -61.8451 -61.8451 -31.8765 -31.8611 -21.1756 -21.0925 -21.0486 -21.0249 1.9982 2.3393 10.6158 10.6888 11.8378 11.8608 13.1807 13.3054 15.1025 15.4808 17.1299 17.7095 19.0032 19.1480 20.9161 20.9507 22.1168 22.8576 29.1199 29.1203 k = 0.5000-0.0330 0.5890 ( 1076 PWs) bands (ev): -61.8451 -61.8451 -31.8765 -31.8610 -21.1754 -21.0897 -21.0512 -21.0254 1.9969 2.3411 10.6628 10.7400 11.7856 11.8053 13.1787 13.3053 15.0968 15.4792 17.1167 17.6947 19.0042 19.1494 20.9254 20.9621 22.1426 22.8851 29.1212 29.1242 k = 0.5000-0.0247 0.5949 ( 1084 PWs) bands (ev): -61.8452 -61.8452 -31.8766 -31.8610 -21.1752 -21.0872 -21.0537 -21.0260 1.9958 2.3426 10.7030 10.7843 11.7412 11.7574 13.1771 13.3052 15.0923 15.4778 17.1064 17.6833 19.0048 19.1504 20.9326 20.9710 22.1628 22.9066 29.1223 29.1276 k = 0.5000-0.0165 0.6007 ( 1084 PWs) bands (ev): -61.8452 -61.8452 -31.8767 -31.8610 -21.1751 -21.0852 -21.0556 -21.0264 1.9951 2.3437 10.7342 10.8193 11.7069 11.7200 13.1760 13.3051 15.0891 15.4769 17.0992 17.6751 19.0053 19.1512 20.9378 20.9774 22.1773 22.9220 29.1231 29.1302 k = 0.5000-0.0082 0.6065 ( 1084 PWs) bands (ev): -61.8452 -61.8452 -31.8767 -31.8609 -21.1750 -21.0838 -21.0569 -21.0266 1.9947 2.3443 10.7542 10.8418 11.6851 11.6959 13.1753 13.3050 15.0871 15.4763 17.0948 17.6702 19.0056 19.1517 20.9409 20.9813 22.1860 22.9313 29.1236 29.1319 k = 0.5000-0.0000 0.6124 ( 1084 PWs) bands (ev): -61.8452 -61.8452 -31.8767 -31.8609 -21.1749 -21.0833 -21.0574 -21.0267 1.9945 2.3445 10.7611 10.8496 11.6776 11.6875 13.1751 13.3050 15.0865 15.4761 17.0934 17.6685 19.0057 19.1518 20.9420 20.9826 22.1889 22.9344 29.1238 29.1324 k = 0.5000-0.0000 0.6124 ( 1084 PWs) bands (ev): -61.8452 -61.8452 -31.8767 -31.8609 -21.1749 -21.0833 -21.0574 -21.0267 1.9945 2.3445 10.7611 10.8496 11.6776 11.6875 13.1751 13.3050 15.0865 15.4761 17.0934 17.6685 19.0057 19.1518 20.9420 20.9826 22.1889 22.9344 29.1238 29.1324 k = 0.4950 0.0087 0.6124 ( 1084 PWs) bands (ev): -61.8452 -61.8452 -31.8767 -31.8609 -21.1750 -21.0836 -21.0571 -21.0266 1.9944 2.3442 10.7579 10.8461 11.6800 11.6916 13.1746 13.3050 15.0873 15.4754 17.0955 17.6700 19.0051 19.1516 20.9365 20.9896 22.1873 22.9324 29.1150 29.1232 k = 0.4900 0.0173 0.6124 ( 1084 PWs) bands (ev): -61.8452 -61.8452 -31.8766 -31.8609 -21.1750 -21.0843 -21.0563 -21.0263 1.9942 2.3433 10.7486 10.8357 11.6872 11.7036 13.1728 13.3049 15.0895 15.4731 17.1020 17.6748 19.0031 19.1511 20.9254 21.0056 22.1823 22.9264 29.0919 29.1008 k = 0.4850 0.0260 0.6124 ( 1079 PWs) bands (ev): -61.8451 -61.8451 -31.8765 -31.8608 -21.1751 -21.0853 -21.0549 -21.0257 1.9938 2.3418 10.7336 10.8190 11.6996 11.7231 13.1700 13.3047 15.0926 15.4686 17.1134 17.6830 18.9993 19.1504 20.9137 21.0256 22.1740 22.9163 29.0596 29.0705 k = 0.4800 0.0346 0.6124 ( 1077 PWs) bands (ev): -61.8451 -61.8451 -31.8764 -31.8608 -21.1752 -21.0867 -21.0534 -21.0250 1.9932 2.3398 10.7137 10.7968 11.7171 11.7491 13.1658 13.3041 15.0961 15.4618 17.1298 17.6951 18.9932 19.1493 20.9028 21.0483 22.1620 22.9019 29.0223 29.0356 k = 0.4750 0.0433 0.6124 ( 1079 PWs) bands (ev): -61.8452 -61.8452 -31.8763 -31.8608 -21.1753 -21.0882 -21.0517 -21.0242 1.9926 2.3374 10.6897 10.7701 11.7392 11.7807 13.1602 13.3030 15.0997 15.4525 17.1511 17.7110 18.9846 19.1477 20.8935 21.0732 22.1464 22.8833 28.9827 28.9980 k = 0.4700 0.0520 0.6124 ( 1079 PWs) bands (ev): -61.8452 -61.8452 -31.8762 -31.8607 -21.1755 -21.0898 -21.0498 -21.0232 1.9919 2.3346 10.6625 10.7400 11.7653 11.8171 13.1532 13.3011 15.1030 15.4410 17.1772 17.7308 18.9735 19.1457 20.8860 21.1001 22.1271 22.8604 28.9424 28.9593 k = 0.4650 0.0606 0.6124 ( 1079 PWs) bands (ev): -61.8452 -61.8452 -31.8760 -31.8607 -21.1758 -21.0915 -21.0479 -21.0221 1.9911 2.3314 10.6330 10.7074 11.7950 11.8576 13.1446 13.2983 15.1057 15.4273 17.2080 17.7545 18.9601 19.1428 20.8806 21.1289 22.1043 22.8334 28.9023 28.9205 k = 0.4600 0.0693 0.6124 ( 1083 PWs) bands (ev): -61.8453 -61.8453 -31.8759 -31.8607 -21.1761 -21.0932 -21.0460 -21.0210 1.9903 2.3279 10.6020 10.6732 11.8275 11.9015 13.1343 13.2943 15.1077 15.4120 17.2430 17.7820 18.9444 19.1389 20.8773 21.1593 22.0781 22.8024 28.8632 28.8822 k = 0.4550 0.0779 0.6124 ( 1083 PWs) bands (ev): -61.8453 -61.8453 -31.8758 -31.8606 -21.1765 -21.0948 -21.0441 -21.0197 1.9895 2.3242 10.5701 10.6383 11.8626 11.9481 13.1223 13.2887 15.1087 15.3954 17.2818 17.8131 18.9266 19.1336 20.8763 21.1914 22.0486 22.7677 28.8255 28.8448 k = 0.4500 0.0866 0.6124 ( 1089 PWs) bands (ev): -61.8454 -61.8454 -31.8756 -31.8607 -21.1769 -21.0965 -21.0422 -21.0184 1.9886 2.3203 10.5381 10.6032 11.8997 11.9970 13.1083 13.2813 15.1087 15.3781 17.3239 17.8474 18.9071 19.1268 20.8776 21.2248 22.0162 22.7294 28.7895 28.8088 k = 0.4450 0.0953 0.6124 ( 1087 PWs) bands (ev): -61.8454 -61.8454 -31.8754 -31.8606 -21.1773 -21.0980 -21.0403 -21.0171 1.9878 2.3162 10.5063 10.5685 11.9384 12.0477 13.0925 13.2719 15.1076 15.3607 17.3688 17.8846 18.8862 19.1183 20.8813 21.2597 21.9811 22.6878 28.7552 28.7743 k = 0.4400 0.1039 0.6124 ( 1088 PWs) bands (ev): -61.8454 -61.8454 -31.8753 -31.8606 -21.1777 -21.0995 -21.0385 -21.0157 1.9870 2.3121 10.4753 10.5347 11.9785 12.0998 13.0748 13.2602 15.1053 15.3437 17.4158 17.9241 18.8642 19.1078 20.8875 21.2956 21.9439 22.6432 28.7229 28.7415 k = 0.4350 0.1126 0.6124 ( 1088 PWs) bands (ev): -61.8455 -61.8455 -31.8751 -31.8605 -21.1780 -21.1009 -21.0367 -21.0144 1.9863 2.3081 10.4455 10.5022 12.0195 12.1530 13.0552 13.2460 15.1018 15.3276 17.4644 17.9655 18.8415 19.0954 20.8961 21.3324 21.9050 22.5960 28.6924 28.7107 k = 0.4300 0.1212 0.6124 ( 1088 PWs) bands (ev): -61.8455 -61.8455 -31.8749 -31.8605 -21.1784 -21.1022 -21.0350 -21.0131 1.9855 2.3040 10.4172 10.4713 12.0613 12.2069 13.0338 13.2291 15.0972 15.3127 17.5140 18.0079 18.8185 19.0809 20.9071 21.3697 21.8650 22.5464 28.6638 28.6820 k = 0.4250 0.1299 0.6124 ( 1086 PWs) bands (ev): -61.8455 -61.8455 -31.8747 -31.8604 -21.1788 -21.1033 -21.0334 -21.0118 1.9849 2.3001 10.3906 10.4424 12.1034 12.2613 13.0107 13.2094 15.0917 15.2994 17.5639 18.0508 18.7957 19.0643 20.9205 21.4071 21.8251 22.4948 28.6369 28.6556 k = 0.4200 0.1386 0.6124 ( 1088 PWs) bands (ev): -61.8455 -61.8455 -31.8746 -31.8604 -21.1792 -21.1045 -21.0319 -21.0107 1.9843 2.2964 10.3660 10.4155 12.1457 12.3157 12.9863 13.1869 15.0854 15.2879 17.6136 18.0931 18.7739 19.0456 20.9361 21.4433 21.7867 22.4416 28.6115 28.6319 k = 0.4150 0.1472 0.6124 ( 1088 PWs) bands (ev): -61.8455 -61.8455 -31.8744 -31.8604 -21.1796 -21.1055 -21.0306 -21.0096 1.9837 2.2929 10.3436 10.3910 12.1877 12.3698 12.9607 13.1614 15.0787 15.2781 17.6623 18.1338 18.7537 19.0249 20.9537 21.4763 21.7525 22.3871 28.5877 28.6108 k = 0.4100 0.1559 0.6124 ( 1087 PWs) bands (ev): -61.8455 -61.8455 -31.8743 -31.8603 -21.1799 -21.1063 -21.0293 -21.0086 1.9833 2.2896 10.3235 10.3690 12.2291 12.4231 12.9346 13.1332 15.0718 15.2700 17.7093 18.1717 18.7363 19.0023 20.9731 21.5019 21.7272 22.3317 28.5656 28.5925 k = 0.4050 0.1645 0.6124 ( 1087 PWs) bands (ev): -61.8456 -61.8456 -31.8741 -31.8603 -21.1802 -21.1071 -21.0283 -21.0077 1.9829 2.2867 10.3059 10.3497 12.2693 12.4749 12.9087 13.1023 15.0652 15.2634 17.7539 18.2055 18.7227 18.9782 20.9940 21.5134 21.7184 22.2757 28.5455 28.5768 k = 0.4000 0.1732 0.6124 ( 1087 PWs) bands (ev): -61.8456 -61.8456 -31.8740 -31.8603 -21.1804 -21.1078 -21.0273 -21.0070 1.9825 2.2842 10.2908 10.3331 12.3077 12.5244 12.8841 13.0690 15.0590 15.2582 17.7950 18.2338 18.7142 18.9527 21.0157 21.5070 21.7307 22.2194 28.5277 28.5637 k = 0.3950 0.1819 0.6124 ( 1083 PWs) bands (ev): -61.8455 -61.8455 -31.8739 -31.8602 -21.1806 -21.1083 -21.0265 -21.0063 1.9823 2.2821 10.2783 10.3195 12.3433 12.5699 12.8629 13.0339 15.0536 15.2542 17.8316 18.2558 18.7116 18.9267 21.0375 21.4879 21.7600 22.1633 28.5126 28.5531 k = 0.3900 0.1905 0.6124 ( 1085 PWs) bands (ev): -61.8456 -61.8456 -31.8738 -31.8602 -21.1808 -21.1087 -21.0259 -21.0058 1.9820 2.2804 10.2686 10.3087 12.3747 12.6090 12.8479 12.9977 15.0492 15.2513 17.8624 18.2710 18.7151 18.9010 21.0579 21.4645 21.7992 22.1074 28.5005 28.5450 k = 0.3850 0.1992 0.6124 ( 1079 PWs) bands (ev): -61.8455 -61.8455 -31.8737 -31.8602 -21.1808 -21.1089 -21.0254 -21.0054 1.9819 2.2792 10.2616 10.3011 12.4000 12.6382 12.8432 12.9618 15.0460 15.2493 17.8859 18.2803 18.7231 18.8776 21.0753 21.4431 21.8442 22.0524 28.4917 28.5392 k = 0.3800 0.2078 0.6124 ( 1079 PWs) bands (ev): -61.8455 -61.8455 -31.8737 -31.8602 -21.1809 -21.1091 -21.0251 -21.0052 1.9818 2.2784 10.2574 10.2964 12.4168 12.6548 12.8502 12.9296 15.0440 15.2482 17.9007 18.2849 18.7319 18.8598 21.0871 21.4281 21.8923 21.9987 28.4863 28.5358 k = 0.3750 0.2165 0.6124 ( 1069 PWs) bands (ev): -61.8454 -61.8454 -31.8735 -31.8601 -21.1808 -21.1090 -21.0249 -21.0050 1.9818 2.2782 10.2561 10.2949 12.4227 12.6599 12.8584 12.9133 15.0433 15.2478 17.9059 18.2863 18.7361 18.8528 21.0914 21.4228 21.9336 21.9557 28.4845 28.5347 k = 0.3750 0.2165 0.6124 ( 1069 PWs) bands (ev): -61.8454 -61.8454 -31.8735 -31.8601 -21.1808 -21.1090 -21.0249 -21.0050 1.9818 2.2782 10.2561 10.2949 12.4227 12.6599 12.8584 12.9133 15.0433 15.2478 17.9059 18.2863 18.7361 18.8528 21.0914 21.4228 21.9336 21.9557 28.4845 28.5347 k = 0.3699 0.2135 0.6040 ( 1073 PWs) bands (ev): -61.8455 -61.8455 -31.8734 -31.8597 -21.1805 -21.1062 -21.0259 -21.0043 1.9740 2.2756 10.3062 10.3463 12.3685 12.6244 12.8160 12.8565 15.0476 15.2700 17.8556 18.2425 18.7844 18.8875 21.1109 21.4988 21.9468 22.0224 28.3479 28.4491 k = 0.3647 0.2106 0.5956 ( 1073 PWs) bands (ev): -61.8456 -61.8456 -31.8732 -31.8592 -21.1800 -21.1034 -21.0265 -21.0035 1.9660 2.2720 10.3562 10.3976 12.3118 12.5879 12.7728 12.7952 15.0616 15.2999 17.8048 18.1946 18.8381 18.9243 21.1264 21.5753 21.9549 22.0899 28.2051 28.3427 k = 0.3596 0.2076 0.5872 ( 1073 PWs) bands (ev): -61.8457 -61.8457 -31.8729 -31.8588 -21.1795 -21.1008 -21.0268 -21.0024 1.9576 2.2674 10.4060 10.4486 12.2526 12.5502 12.7291 12.7297 15.0855 15.3376 17.7538 18.1442 18.8949 18.9625 21.1383 21.6523 21.9582 22.1581 28.0577 28.2200 k = 0.3545 0.2046 0.5788 ( 1073 PWs) bands (ev): -61.8458 -61.8458 -31.8726 -31.8583 -21.1789 -21.0984 -21.0268 -21.0012 1.9489 2.2618 10.4554 10.4992 12.1909 12.5110 12.6609 12.6850 15.1193 15.3835 17.7026 18.0925 18.9531 19.0010 21.1472 21.7295 21.9573 22.2270 27.9069 28.0862 k = 0.3493 0.2017 0.5704 ( 1077 PWs) bands (ev): -61.8459 -61.8459 -31.8722 -31.8579 -21.1782 -21.0963 -21.0264 -20.9998 1.9398 2.2550 10.5042 10.5491 12.1268 12.4694 12.5903 12.6408 15.1629 15.4375 17.6515 18.0401 19.0116 19.0390 21.1538 21.8069 21.9528 22.2965 27.7537 27.9450 k = 0.3442 0.1987 0.5620 ( 1077 PWs) bands (ev): -61.8460 -61.8460 -31.8718 -31.8573 -21.1774 -21.0944 -21.0256 -20.9982 1.9304 2.2472 10.5523 10.5983 12.0607 12.4234 12.5206 12.5966 15.2161 15.4998 17.6007 17.9874 19.0691 19.0754 21.1590 21.8837 21.9461 22.3666 27.5986 27.7986 k = 0.3390 0.1957 0.5537 ( 1077 PWs) bands (ev): -61.8461 -61.8461 -31.8713 -31.8568 -21.1764 -21.0927 -21.0244 -20.9964 1.9204 2.2383 10.5995 10.6466 11.9927 12.3685 12.4568 12.5526 15.2785 15.5703 17.5503 17.9349 19.1093 19.1248 21.1637 21.9308 21.9669 22.4372 27.4421 27.6486 k = 0.3339 0.1928 0.5453 ( 1073 PWs) bands (ev): -61.8462 -61.8462 -31.8707 -31.8561 -21.1752 -21.0911 -21.0227 -20.9945 1.9101 2.2281 10.6458 10.6937 11.9231 12.3014 12.4029 12.5089 15.3498 15.6489 17.5005 17.8828 19.1396 19.1778 21.1689 21.9219 22.0424 22.5080 27.2847 27.4958 k = 0.3288 0.1898 0.5369 ( 1073 PWs) bands (ev): -61.8464 -61.8464 -31.8700 -31.8555 -21.1739 -21.0899 -21.0206 -20.9924 1.8992 2.2169 10.6910 10.7396 11.8522 12.2248 12.3570 12.4656 15.4295 15.7353 17.4514 17.8315 19.1652 19.2271 21.1757 21.9104 22.1199 22.5791 27.1267 27.3410 k = 0.3236 0.1868 0.5285 ( 1077 PWs) bands (ev): -61.8466 -61.8466 -31.8694 -31.8549 -21.1726 -21.0888 -21.0182 -20.9902 1.8878 2.2044 10.7350 10.7841 11.7803 12.1430 12.3152 12.4228 15.5172 15.8292 17.4033 17.7810 19.1854 19.2718 21.1850 21.8991 22.1975 22.6503 26.9682 27.1848 k = 0.3185 0.1839 0.5201 ( 1085 PWs) bands (ev): -61.8468 -61.8468 -31.8687 -31.8543 -21.1710 -21.0879 -21.0156 -20.9880 1.8759 2.1908 10.7777 10.8270 11.7078 12.0587 12.2755 12.3805 15.6123 15.9305 17.3562 17.7316 19.1991 19.3111 21.1979 21.8891 22.2748 22.7213 26.8096 27.0275 k = 0.3134 0.1809 0.5117 ( 1085 PWs) bands (ev): -61.8470 -61.8470 -31.8679 -31.8536 -21.1692 -21.0871 -21.0125 -20.9855 1.8634 2.1759 10.8190 10.8683 11.6351 11.9733 12.2370 12.3387 15.7143 16.0386 17.3107 17.6837 19.2057 19.3443 21.2152 21.8815 22.3518 22.7922 26.6509 26.8694 k = 0.3082 0.1780 0.5033 ( 1085 PWs) bands (ev): -61.8472 -61.8472 -31.8671 -31.8529 -21.1672 -21.0862 -21.0092 -20.9828 1.8503 2.1598 10.8588 10.9077 11.5625 11.8879 12.1993 12.2975 15.8226 16.1530 17.2669 17.6375 19.2047 19.3705 21.2376 21.8771 22.4286 22.8629 26.4923 26.7109 k = 0.3031 0.1750 0.4949 ( 1081 PWs) bands (ev): -61.8473 -61.8473 -31.8661 -31.8520 -21.1649 -21.0853 -21.0056 -20.9800 1.8365 2.1426 10.8970 10.9450 11.4904 11.8031 12.1624 12.2568 15.9366 16.2731 17.2254 17.5934 19.1958 19.3894 21.2654 21.8769 22.5048 22.9332 26.3340 26.5520 k = 0.2979 0.1720 0.4865 ( 1081 PWs) bands (ev): -61.8475 -61.8475 -31.8651 -31.8512 -21.1625 -21.0844 -21.0019 -20.9772 1.8221 2.1241 10.9334 10.9800 11.4193 11.7196 12.1260 12.2167 16.0554 16.3976 17.1870 17.5517 19.1791 19.4005 21.2989 21.8812 22.5805 23.0029 26.1762 26.3931 k = 0.2928 0.1691 0.4782 ( 1081 PWs) bands (ev): -61.8477 -61.8477 -31.8640 -31.8504 -21.1598 -21.0834 -20.9980 -20.9742 1.8071 2.1043 10.9677 11.0120 11.3497 11.6381 12.0902 12.1771 16.1783 16.5249 17.1532 17.5130 19.1548 19.4036 21.3379 21.8907 22.6556 23.0720 26.0188 26.2343 k = 0.2877 0.1661 0.4698 ( 1085 PWs) bands (ev): -61.8480 -61.8480 -31.8629 -31.8495 -21.1569 -21.0823 -20.9940 -20.9713 1.7913 2.0834 10.9992 11.0406 11.2826 11.5597 12.0550 12.1380 16.3039 16.6508 17.1277 17.4781 19.1234 19.3987 21.3822 21.9056 22.7298 23.1403 25.8622 26.0757 k = 0.2825 0.1631 0.4614 ( 1081 PWs) bands (ev): -61.8482 -61.8482 -31.8617 -31.8485 -21.1536 -21.0810 -20.9898 -20.9681 1.7748 2.0612 11.0259 11.0644 11.2200 11.4857 12.0204 12.0994 16.4306 16.7657 17.1198 17.4483 19.0855 19.3863 21.4315 21.9258 22.8034 23.2078 25.7063 25.9177 k = 0.2774 0.1602 0.4530 ( 1083 PWs) bands (ev): -61.8485 -61.8485 -31.8605 -31.8475 -21.1503 -21.0797 -20.9856 -20.9649 1.7576 2.0378 11.0412 11.0811 11.1689 11.4186 11.9865 12.0614 16.5560 16.8475 17.1514 17.4256 19.0420 19.3668 21.4850 21.9510 22.8761 23.2744 25.5514 25.7602 k = 0.2723 0.1572 0.4446 ( 1083 PWs) bands (ev): -61.8487 -61.8487 -31.8591 -31.8465 -21.1466 -21.0781 -20.9813 -20.9617 1.7396 2.0133 11.0276 11.0867 11.1470 11.3627 11.9532 12.0238 16.6760 16.8779 17.2400 17.4132 18.9938 19.3411 21.5422 21.9809 22.9478 23.3399 25.3978 25.6037 k = 0.2671 0.1542 0.4362 ( 1083 PWs) bands (ev): -61.8490 -61.8490 -31.8578 -31.8454 -21.1427 -21.0763 -20.9770 -20.9584 1.7209 1.9875 10.9838 11.0754 11.1555 11.3237 11.9206 11.9867 16.7847 16.8743 17.3677 17.4168 18.9418 19.3102 21.6025 22.0149 23.0184 23.4042 25.2455 25.4482 k = 0.2620 0.1513 0.4278 ( 1083 PWs) bands (ev): -61.8493 -61.8493 -31.8563 -31.8443 -21.1385 -21.0743 -20.9727 -20.9550 1.7013 1.9606 10.9299 11.0446 11.1746 11.3046 11.8887 11.9501 16.8575 16.8735 17.4438 17.5129 18.8873 19.2752 21.6650 22.0523 23.0879 23.4673 25.0949 25.2940 k = 0.2568 0.1483 0.4194 ( 1081 PWs) bands (ev): -61.8495 -61.8495 -31.8548 -31.8431 -21.1339 -21.0721 -20.9683 -20.9516 1.6810 1.9326 10.8745 10.9988 11.1959 11.3006 11.8577 11.9139 16.8363 16.9351 17.5007 17.6657 18.8317 19.2377 21.7293 22.0923 23.1560 23.5289 24.9464 25.1414 k = 0.2517 0.1453 0.4110 ( 1081 PWs) bands (ev): -61.8498 -61.8498 -31.8533 -31.8419 -21.1292 -21.0696 -20.9639 -20.9482 1.6598 1.9034 10.8201 10.9453 11.2169 11.3047 11.8276 11.8781 16.8143 16.9693 17.5865 17.8209 18.7770 19.1993 21.7944 22.1339 23.2227 23.5891 24.8003 24.9907 k = 0.2466 0.1424 0.4027 ( 1081 PWs) bands (ev): -61.8502 -61.8502 -31.8517 -31.8407 -21.1242 -21.0669 -20.9596 -20.9448 1.6378 1.8732 10.7675 10.8888 11.2369 11.3119 11.7985 11.8428 16.7927 16.9830 17.6924 17.9738 18.7266 19.1621 21.8599 22.1763 23.2877 23.6476 24.6572 24.8424 k = 0.2414 0.1394 0.3943 ( 1081 PWs) bands (ev): -61.8505 -61.8505 -31.8500 -31.8394 -21.1190 -21.0640 -20.9552 -20.9413 1.6150 1.8419 10.7173 10.8322 11.2553 11.3197 11.7704 11.8079 16.7725 16.9843 17.8079 18.1165 18.6875 19.1289 21.9250 22.2185 23.3510 23.7044 24.5178 24.6969 k = 0.2363 0.1364 0.3859 ( 1077 PWs) bands (ev): -61.8508 -61.8508 -31.8483 -31.8380 -21.1134 -21.0607 -20.9509 -20.9379 1.5914 1.8096 10.6697 10.7769 11.2721 11.3264 11.7435 11.7734 16.7540 16.9791 17.9238 18.2324 18.6760 19.1033 21.9891 22.2595 23.4120 23.7592 24.3830 24.5548 k = 0.2312 0.1335 0.3775 ( 1077 PWs) bands (ev): -61.8511 -61.8511 -31.8465 -31.8367 -21.1077 -21.0573 -20.9466 -20.9344 1.5669 1.7763 10.6248 10.7236 11.2871 11.3313 11.7178 11.7393 16.7375 16.9707 18.0320 18.2939 18.7192 19.0901 22.0516 22.2981 23.4703 23.8118 24.2541 24.4170 k = 0.2260 0.1305 0.3691 ( 1077 PWs) bands (ev): -61.8515 -61.8515 -31.8447 -31.8353 -21.1017 -21.0536 -20.9424 -20.9310 1.5417 1.7420 10.5828 10.6728 11.3002 11.3339 11.6934 11.7056 16.7231 16.9612 18.1246 18.2956 18.8218 19.0949 22.1119 22.3333 23.5249 23.8616 24.1330 24.2847 k = 0.2209 0.1275 0.3607 ( 1077 PWs) bands (ev): -61.8518 -61.8518 -31.8429 -31.8339 -21.0955 -21.0497 -20.9381 -20.9275 1.5156 1.7069 10.5439 10.6248 11.3113 11.3339 11.6703 11.6723 16.7111 16.9518 18.1945 18.2636 18.9571 19.1235 22.1692 22.3636 23.5740 23.9068 24.0230 24.1605 k = 0.2158 0.1246 0.3523 ( 1077 PWs) bands (ev): -61.8522 -61.8522 -31.8410 -31.8324 -21.0890 -21.0455 -20.9340 -20.9241 1.4888 1.6710 10.5079 10.5799 11.3204 11.3311 11.6393 11.6486 16.7014 16.9433 18.2179 18.2379 19.1044 19.1785 22.2231 22.3877 23.6126 23.9302 23.9364 24.0565 k = 0.2106 0.1216 0.3439 ( 1077 PWs) bands (ev): -61.8525 -61.8525 -31.8391 -31.8309 -21.0824 -21.0411 -20.9299 -20.9207 1.4611 1.6343 10.4751 10.5381 11.3254 11.3275 11.6068 11.6281 16.6941 16.9361 18.1669 18.2560 19.2541 19.2576 22.2728 22.4043 23.6291 23.8679 23.8915 24.0326 k = 0.2055 0.1186 0.3355 ( 1079 PWs) bands (ev): -61.8529 -61.8529 -31.8372 -31.8294 -21.0755 -21.0365 -20.9259 -20.9174 1.4328 1.5968 10.4454 10.4997 11.3169 11.3324 11.5746 11.6088 16.6893 16.9307 18.1145 18.2537 19.3548 19.4013 22.3178 22.4121 23.6104 23.7984 23.8511 24.0638 k = 0.2003 0.1157 0.3272 ( 1079 PWs) bands (ev): -61.8533 -61.8533 -31.8352 -31.8278 -21.0685 -21.0316 -20.9220 -20.9141 1.4037 1.5588 10.4189 10.4646 11.3059 11.3352 11.5429 11.5903 16.6871 16.9271 18.0623 18.2371 19.4628 19.5426 22.3578 22.4103 23.5681 23.7079 23.8695 24.1010 k = 0.1952 0.1127 0.3188 ( 1075 PWs) bands (ev): -61.8537 -61.8537 -31.8332 -31.8262 -21.0612 -21.0265 -20.9180 -20.9108 1.3740 1.5201 10.3956 10.4329 11.2926 11.3360 11.5116 11.5725 16.6874 16.9257 18.0115 18.2113 19.5748 19.6752 22.3928 22.3990 23.5242 23.6278 23.9022 24.1376 k = 0.1901 0.1097 0.3104 ( 1075 PWs) bands (ev): -61.8541 -61.8541 -31.8312 -31.8246 -21.0538 -21.0212 -20.9142 -20.9075 1.3437 1.4809 10.3754 10.4047 11.2772 11.3346 11.4806 11.5549 16.6902 16.9263 17.9626 18.1799 19.6853 19.7964 22.3796 22.4231 23.4886 23.5605 23.9391 24.1723 k = 0.1849 0.1068 0.3020 ( 1075 PWs) bands (ev): -61.8545 -61.8545 -31.8292 -31.8230 -21.0463 -21.0157 -20.9105 -20.9044 1.3127 1.4413 10.3583 10.3799 11.2602 11.3312 11.4501 11.5374 16.6955 16.9291 17.9161 18.1455 19.7897 19.9035 22.3548 22.4499 23.4641 23.5070 23.9764 24.2047 k = 0.1798 0.1038 0.2936 ( 1077 PWs) bands (ev): -61.8549 -61.8549 -31.8272 -31.8213 -21.0387 -21.0101 -20.9069 -20.9012 1.2812 1.4013 10.3444 10.3586 11.2418 11.3257 11.4201 11.5196 16.7033 16.9341 17.8722 18.1099 19.8837 19.9939 22.3285 22.4753 23.4504 23.4676 24.0126 24.2345 k = 0.1747 0.1008 0.2852 ( 1077 PWs) bands (ev): -61.8553 -61.8553 -31.8251 -31.8197 -21.0309 -21.0043 -20.9034 -20.8982 1.2493 1.3611 10.3335 10.3406 11.2224 11.3182 11.3905 11.5013 16.7135 16.9413 17.8310 18.0741 19.9636 20.0652 22.3052 22.5020 23.4414 23.4458 24.0469 24.2617 k = 0.1695 0.0979 0.2768 ( 1077 PWs) bands (ev): -61.8557 -61.8557 -31.8231 -31.8180 -21.0230 -20.9983 -20.8999 -20.8952 1.2169 1.3207 10.3256 10.3261 11.2022 11.3087 11.3616 11.4823 16.7261 16.9507 17.7928 18.0389 20.0260 20.1154 22.2894 22.5328 23.4270 23.4487 24.0789 24.2861 k = 0.1644 0.0949 0.2684 ( 1077 PWs) bands (ev): -61.8561 -61.8561 -31.8210 -31.8163 -21.0151 -20.9922 -20.8965 -20.8922 1.1842 1.2801 10.3149 10.3207 11.1815 11.2972 11.3334 11.4625 16.7411 16.9623 17.7576 18.0050 20.0683 20.1436 22.2849 22.5703 23.4225 23.4571 24.1084 24.3076 k = 0.1592 0.0919 0.2600 ( 1073 PWs) bands (ev): -61.8564 -61.8564 -31.8189 -31.8146 -21.0071 -20.9859 -20.8932 -20.8893 1.1512 1.2396 10.3069 10.3186 11.1604 11.2831 11.3065 11.4419 16.7584 16.9760 17.7254 17.9727 20.0887 20.1496 22.2942 22.6159 23.4260 23.4696 24.1351 24.3261 k = 0.1541 0.0890 0.2517 ( 1073 PWs) bands (ev): -61.8568 -61.8568 -31.8169 -31.8129 -20.9991 -20.9796 -20.8900 -20.8865 1.1180 1.1991 10.3022 10.3193 11.1391 11.2653 11.2823 11.4204 16.7779 16.9917 17.6962 17.9422 20.0871 20.1346 22.3185 22.6703 23.4357 23.4849 24.1589 24.3416 k = 0.1490 0.0860 0.2433 ( 1073 PWs) bands (ev): -61.8572 -61.8572 -31.8149 -31.8112 -20.9910 -20.9732 -20.8870 -20.8838 1.0847 1.1588 10.3005 10.3227 11.1178 11.2427 11.2619 11.3980 16.7995 17.0094 17.6699 17.9136 20.0645 20.1005 22.3573 22.7327 23.4501 23.5021 24.1799 24.3541 k = 0.1438 0.0830 0.2349 ( 1073 PWs) bands (ev): -61.8576 -61.8576 -31.8129 -31.8095 -20.9830 -20.9667 -20.8840 -20.8811 1.0513 1.1188 10.3018 10.3287 11.0965 11.2175 11.2433 11.3747 16.8232 17.0289 17.6465 17.8870 20.0230 20.0496 22.4089 22.8017 23.4680 23.5203 24.1979 24.3635 k = 0.1387 0.0801 0.2265 ( 1073 PWs) bands (ev): -61.8580 -61.8580 -31.8109 -31.8079 -20.9750 -20.9602 -20.8811 -20.8786 1.0180 1.0791 10.3060 10.3370 11.0754 11.1920 11.2246 11.3507 16.8487 17.0502 17.6260 17.8626 19.9654 19.9847 22.4711 22.8757 23.4884 23.5392 24.2131 24.3699 k = 0.1336 0.0771 0.2181 ( 1073 PWs) bands (ev): -61.8584 -61.8584 -31.8090 -31.8062 -20.9670 -20.9537 -20.8784 -20.8761 0.9848 1.0399 10.3129 10.3477 11.0545 11.1665 11.2052 11.3260 16.8761 17.0731 17.6080 17.8401 19.8945 19.9084 22.5411 22.9525 23.5105 23.5581 24.2253 24.3732 k = 0.1284 0.0741 0.2097 ( 1069 PWs) bands (ev): -61.8587 -61.8587 -31.8070 -31.8045 -20.9591 -20.9471 -20.8756 -20.8736 0.9518 1.0013 10.3225 10.3605 11.0340 11.1415 11.1853 11.3008 16.9051 17.0975 17.5927 17.8196 19.8132 19.8231 22.6166 23.0304 23.5340 23.5769 24.2348 24.3735 k = 0.1233 0.0712 0.2013 ( 1055 PWs) bands (ev): -61.8589 -61.8589 -31.8050 -31.8028 -20.9511 -20.9403 -20.8729 -20.8711 0.9191 0.9633 10.3345 10.3754 11.0138 11.1170 11.1649 11.2752 16.9358 17.1234 17.5798 17.8011 19.7240 19.7309 22.6955 23.1079 23.5584 23.5952 24.2416 24.3710 k = 0.1182 0.0682 0.1929 ( 1069 PWs) bands (ev): -61.8595 -61.8595 -31.8033 -31.8013 -20.9437 -20.9341 -20.8706 -20.8691 0.8867 0.9260 10.3487 10.3920 10.9940 11.0929 11.1440 11.2492 16.9676 17.1502 17.5691 17.7843 19.6289 19.6336 22.7757 23.1832 23.5834 23.6128 24.2457 24.3655 k = 0.1130 0.0652 0.1846 ( 1069 PWs) bands (ev): -61.8598 -61.8598 -31.8015 -31.7998 -20.9361 -20.9276 -20.8683 -20.8669 0.8549 0.8895 10.3650 10.4103 10.9748 11.0694 11.1229 11.2231 17.0007 17.1782 17.5606 17.7692 19.5298 19.5328 22.8561 23.2554 23.6091 23.6296 24.2473 24.3573 k = 0.1079 0.0623 0.1762 ( 1069 PWs) bands (ev): -61.8602 -61.8602 -31.7998 -31.7982 -20.9288 -20.9213 -20.8661 -20.8649 0.8237 0.8540 10.3832 10.4299 10.9561 11.0465 11.1019 11.1970 17.0349 17.2069 17.5540 17.7557 19.4282 19.4299 22.9354 23.3236 23.6353 23.6454 24.2468 24.3466 k = 0.1027 0.0593 0.1678 ( 1069 PWs) bands (ev): -61.8605 -61.8605 -31.7981 -31.7968 -20.9216 -20.9151 -20.8639 -20.8629 0.7931 0.8195 10.4031 10.4508 10.9380 11.0242 11.0810 11.1710 17.0699 17.2363 17.5492 17.7437 19.3253 19.3261 23.0129 23.3869 23.6601 23.6621 24.2441 24.3335 k = 0.0976 0.0564 0.1594 ( 1069 PWs) bands (ev): -61.8608 -61.8608 -31.7965 -31.7953 -20.9146 -20.9090 -20.8619 -20.8610 0.7634 0.7861 10.4245 10.4727 10.9205 11.0024 11.0605 11.1454 17.1056 17.2662 17.5461 17.7329 19.2222 19.2222 23.0878 23.4448 23.6738 23.6894 24.2397 24.3183 k = 0.0925 0.0534 0.1510 ( 1069 PWs) bands (ev): -61.8612 -61.8612 -31.7949 -31.7939 -20.9079 -20.9030 -20.8600 -20.8592 0.7344 0.7539 10.4471 10.4954 10.9037 10.9812 11.0405 11.1202 17.1418 17.2962 17.5444 17.7234 19.1191 19.1198 23.1599 23.4969 23.6863 23.7173 24.2337 24.3012 k = 0.0873 0.0504 0.1426 ( 1067 PWs) bands (ev): -61.8614 -61.8614 -31.7934 -31.7926 -20.9013 -20.8972 -20.8582 -20.8576 0.7065 0.7230 10.4707 10.5186 10.8876 10.9606 11.0213 11.0957 17.1782 17.3263 17.5441 17.7149 19.0177 19.0189 23.2286 23.5431 23.6976 23.7455 24.2263 24.2825 k = 0.0822 0.0475 0.1342 ( 1063 PWs) bands (ev): -61.8617 -61.8617 -31.7919 -31.7912 -20.8950 -20.8916 -20.8564 -20.8559 0.6795 0.6934 10.4950 10.5420 10.8722 10.9406 11.0030 11.0719 17.2147 17.3561 17.5449 17.7073 18.9186 18.9202 23.2939 23.5836 23.7077 23.7738 24.2180 24.2627 k = 0.0771 0.0445 0.1258 ( 1067 PWs) bands (ev): -61.8620 -61.8620 -31.7906 -31.7900 -20.8891 -20.8862 -20.8549 -20.8544 0.6537 0.6652 10.5197 10.5654 10.8576 10.9213 10.9857 11.0490 17.2509 17.3854 17.5468 17.7005 18.8225 18.8243 23.3556 23.6188 23.7166 23.8013 24.2088 24.2421 k = 0.0719 0.0415 0.1174 ( 1069 PWs) bands (ev): -61.8623 -61.8623 -31.7894 -31.7889 -20.8835 -20.8811 -20.8534 -20.8530 0.6291 0.6385 10.5446 10.5886 10.8437 10.9026 10.9696 11.0271 17.2868 17.4141 17.5496 17.6944 18.7298 18.7319 23.4134 23.6493 23.7245 23.8274 24.1993 24.2214 k = 0.0668 0.0386 0.1091 ( 1069 PWs) bands (ev): -61.8625 -61.8625 -31.7882 -31.7878 -20.8782 -20.8763 -20.8520 -20.8517 0.6058 0.6133 10.5694 10.6111 10.8307 10.8847 10.9549 11.0065 17.3220 17.4418 17.5531 17.6888 18.6411 18.6433 23.4675 23.6758 23.7313 23.8510 24.1897 24.2011 k = 0.0616 0.0356 0.1007 ( 1075 PWs) bands (ev): -61.8628 -61.8628 -31.7871 -31.7868 -20.8733 -20.8718 -20.8507 -20.8505 0.5839 0.5898 10.5938 10.6327 10.8185 10.8676 10.9416 10.9871 17.3562 17.4683 17.5573 17.6837 18.5570 18.5592 23.5176 23.6989 23.7372 23.8712 24.1801 24.1819 k = 0.0565 0.0326 0.0923 ( 1075 PWs) bands (ev): -61.8631 -61.8631 -31.7860 -31.7858 -20.8686 -20.8675 -20.8495 -20.8493 0.5634 0.5680 10.6174 10.6531 10.8072 10.8514 10.9298 10.9693 17.3893 17.4933 17.5620 17.6789 18.4778 18.4799 23.5638 23.7192 23.7424 23.8872 24.1649 24.1711 k = 0.0514 0.0297 0.0839 ( 1077 PWs) bands (ev): -61.8633 -61.8633 -31.7851 -31.7849 -20.8644 -20.8635 -20.8484 -20.8483 0.5444 0.5479 10.6399 10.6721 10.7968 10.8361 10.9196 10.9531 17.4211 17.5167 17.5672 17.6744 18.4040 18.4060 23.6061 23.7370 23.7470 23.8979 24.1508 24.1628 k = 0.0462 0.0267 0.0755 ( 1071 PWs) bands (ev): -61.8634 -61.8634 -31.7842 -31.7840 -20.8604 -20.8597 -20.8474 -20.8473 0.5271 0.5296 10.6611 10.6892 10.7874 10.8220 10.9111 10.9386 17.4513 17.5383 17.5727 17.6700 18.3359 18.3377 23.6442 23.7513 23.7527 23.9029 24.1403 24.1553 k = 0.0411 0.0237 0.0671 ( 1069 PWs) bands (ev): -61.8636 -61.8636 -31.7834 -31.7833 -20.8568 -20.8564 -20.8465 -20.8465 0.5113 0.5131 10.6804 10.7044 10.7790 10.8090 10.9043 10.9260 17.4796 17.5578 17.5784 17.6657 18.2740 18.2755 23.6783 23.7554 23.7664 23.9023 24.1336 24.1490 k = 0.0360 0.0208 0.0587 ( 1069 PWs) bands (ev): -61.8637 -61.8637 -31.7827 -31.7826 -20.8537 -20.8534 -20.8458 -20.8457 0.4973 0.4985 10.6978 10.7173 10.7715 10.7972 10.8991 10.9154 17.5058 17.5749 17.5843 17.6613 18.2185 18.2197 23.7082 23.7596 23.7783 23.8966 24.1303 24.1438 k = 0.0308 0.0178 0.0503 ( 1067 PWs) bands (ev): -61.8638 -61.8638 -31.7821 -31.7820 -20.8509 -20.8507 -20.8451 -20.8451 0.4850 0.4857 10.7128 10.7279 10.7652 10.7867 10.8955 10.9068 17.5298 17.5896 17.5904 17.6568 18.1697 18.1706 23.7340 23.7641 23.7884 23.8870 24.1295 24.1399 k = 0.0257 0.0148 0.0419 ( 1067 PWs) bands (ev): -61.8639 -61.8639 -31.7816 -31.7815 -20.8486 -20.8485 -20.8446 -20.8445 0.4745 0.4749 10.7252 10.7364 10.7599 10.7774 10.8931 10.9003 17.5513 17.5964 17.6016 17.6521 18.1280 18.1285 23.7556 23.7692 23.7967 23.8749 24.1302 24.1371 k = 0.0205 0.0119 0.0336 ( 1067 PWs) bands (ev): -61.8640 -61.8640 -31.7811 -31.7811 -20.8467 -20.8466 -20.8441 -20.8441 0.4658 0.4661 10.7351 10.7427 10.7559 10.7696 10.8918 10.8958 17.5702 17.6024 17.6109 17.6470 18.0934 18.0938 23.7730 23.7755 23.8033 23.8615 24.1315 24.1355 k = 0.0154 0.0089 0.0252 ( 1067 PWs) bands (ev): -61.8641 -61.8641 -31.7808 -31.7808 -20.8452 -20.8452 -20.8438 -20.8438 0.4591 0.4592 10.7424 10.7472 10.7530 10.7631 10.8912 10.8930 17.5866 17.6081 17.6174 17.6416 18.0663 18.0665 23.7817 23.7876 23.8080 23.8477 24.1329 24.1347 k = 0.0103 0.0059 0.0168 ( 1067 PWs) bands (ev): -61.8641 -61.8641 -31.7806 -31.7806 -20.8442 -20.8441 -20.8435 -20.8435 0.4542 0.4542 10.7474 10.7502 10.7514 10.7580 10.8909 10.8915 17.6003 17.6134 17.6211 17.6356 18.0468 18.0469 23.7898 23.7981 23.8108 23.8342 24.1339 24.1345 k = 0.0051 0.0030 0.0084 ( 1067 PWs) bands (ev): -61.8642 -61.8642 -31.7804 -31.7804 -20.8435 -20.8435 -20.8434 -20.8434 0.4513 0.4513 10.7503 10.7511 10.7517 10.7542 10.8908 10.8908 17.6116 17.6179 17.6222 17.6288 18.0351 18.0351 23.7991 23.8053 23.8114 23.8214 24.1345 24.1345 k = 0.0000 0.0000 0.0000 ( 1067 PWs) bands (ev): -61.8642 -61.8642 -31.7804 -31.7804 -20.8433 -20.8433 -20.8433 -20.8433 0.4503 0.4503 10.7519 10.7519 10.7519 10.7519 10.8907 10.8907 17.6210 17.6210 17.6210 17.6210 18.0312 18.0312 23.8097 23.8097 23.8097 23.8097 24.1346 24.1346 k = 0.0000 0.0000 0.0000 ( 1067 PWs) bands (ev): -61.8642 -61.8642 -31.7804 -31.7804 -20.8433 -20.8433 -20.8433 -20.8433 0.4503 0.4503 10.7519 10.7519 10.7519 10.7519 10.8907 10.8907 17.6210 17.6210 17.6210 17.6210 18.0312 18.0312 23.8097 23.8097 23.8097 23.8097 24.1346 24.1346 k = 0.0083 0.0048 0.0034 ( 1067 PWs) bands (ev): -61.8642 -61.8642 -31.7804 -31.7804 -20.8435 -20.8435 -20.8433 -20.8433 0.4513 0.4513 10.7507 10.7512 10.7512 10.7543 10.8908 10.8908 17.6115 17.6200 17.6200 17.6290 18.0350 18.0350 23.7989 23.8082 23.8082 23.8219 24.1345 24.1345 k = 0.0167 0.0096 0.0068 ( 1067 PWs) bands (ev): -61.8641 -61.8641 -31.7806 -31.7806 -20.8442 -20.8442 -20.8435 -20.8435 0.4542 0.4542 10.7490 10.7490 10.7508 10.7580 10.8912 10.8912 17.6006 17.6172 17.6172 17.6356 18.0467 18.0467 23.7897 23.8038 23.8038 23.8355 24.1342 24.1342 k = 0.0250 0.0144 0.0102 ( 1067 PWs) bands (ev): -61.8641 -61.8641 -31.7808 -31.7808 -20.8452 -20.8452 -20.8437 -20.8437 0.4590 0.4590 10.7453 10.7453 10.7522 10.7630 10.8920 10.8920 17.5883 17.6126 17.6126 17.6406 18.0659 18.0659 23.7820 23.7963 23.7963 23.8505 24.1339 24.1339 k = 0.0333 0.0192 0.0136 ( 1067 PWs) bands (ev): -61.8640 -61.8640 -31.7811 -31.7811 -20.8467 -20.8467 -20.8440 -20.8440 0.4657 0.4657 10.7399 10.7399 10.7548 10.7693 10.8935 10.8935 17.5748 17.6062 17.6062 17.6443 18.0927 18.0927 23.7756 23.7854 23.7854 23.8668 24.1337 24.1337 k = 0.0417 0.0241 0.0170 ( 1067 PWs) bands (ev): -61.8639 -61.8639 -31.7815 -31.7815 -20.8487 -20.8487 -20.8443 -20.8443 0.4744 0.4744 10.7324 10.7324 10.7587 10.7768 10.8960 10.8960 17.5601 17.5982 17.5982 17.6465 18.1268 18.1268 23.7707 23.7709 23.7709 23.8841 24.1340 24.1340 k = 0.0500 0.0289 0.0204 ( 1067 PWs) bands (ev): -61.8638 -61.8638 -31.7820 -31.7820 -20.8510 -20.8510 -20.8448 -20.8448 0.4849 0.4849 10.7229 10.7229 10.7638 10.7854 10.8997 10.8997 17.5443 17.5886 17.5886 17.6474 18.1680 18.1680 23.7524 23.7524 23.7669 23.9023 24.1349 24.1349 k = 0.0583 0.0337 0.0238 ( 1067 PWs) bands (ev): -61.8637 -61.8637 -31.7826 -31.7826 -20.8537 -20.8537 -20.8453 -20.8453 0.4972 0.4972 10.7113 10.7113 10.7701 10.7953 10.9049 10.9049 17.5275 17.5777 17.5777 17.6471 18.2160 18.2160 23.7299 23.7299 23.7642 23.9211 24.1366 24.1366 k = 0.0667 0.0385 0.0272 ( 1073 PWs) bands (ev): -61.8636 -61.8636 -31.7833 -31.7833 -20.8570 -20.8570 -20.8460 -20.8459 0.5113 0.5113 10.6976 10.6976 10.7776 10.8063 10.9115 10.9115 17.5100 17.5655 17.5655 17.6456 18.2706 18.2706 23.7031 23.7031 23.7624 23.9404 24.1391 24.1391 k = 0.0750 0.0433 0.0306 ( 1067 PWs) bands (ev): -61.8634 -61.8634 -31.7840 -31.7840 -20.8604 -20.8604 -20.8466 -20.8466 0.5272 0.5272 10.6821 10.6821 10.7863 10.8184 10.9198 10.9198 17.4919 17.5522 17.5522 17.6431 18.3314 18.3314 23.6722 23.6722 23.7613 23.9599 24.1423 24.1423 k = 0.0833 0.0481 0.0340 ( 1067 PWs) bands (ev): -61.8632 -61.8632 -31.7848 -31.7848 -20.8644 -20.8644 -20.8474 -20.8474 0.5448 0.5448 10.6650 10.6650 10.7960 10.8316 10.9294 10.9294 17.4733 17.5380 17.5380 17.6398 18.3980 18.3980 23.6373 23.6373 23.7606 23.9793 24.1459 24.1459 k = 0.0917 0.0529 0.0374 ( 1076 PWs) bands (ev): -61.8631 -61.8631 -31.7859 -31.7859 -20.8688 -20.8688 -20.8483 -20.8483 0.5640 0.5640 10.6464 10.6464 10.8067 10.8457 10.9404 10.9404 17.4544 17.5230 17.5230 17.6356 18.4700 18.4700 23.5987 23.5987 23.7600 23.9982 24.1496 24.1496 k = 0.1000 0.0577 0.0408 ( 1067 PWs) bands (ev): -61.8628 -61.8628 -31.7868 -31.7868 -20.8732 -20.8732 -20.8492 -20.8492 0.5847 0.5847 10.6269 10.6269 10.8185 10.8609 10.9528 10.9528 17.4355 17.5075 17.5075 17.6310 18.5470 18.5470 23.5566 23.5566 23.7595 24.0165 24.1533 24.1533 k = 0.1083 0.0625 0.0442 ( 1067 PWs) bands (ev): -61.8626 -61.8626 -31.7878 -31.7878 -20.8782 -20.8782 -20.8501 -20.8501 0.6070 0.6070 10.6065 10.6065 10.8312 10.8769 10.9664 10.9664 17.4167 17.4915 17.4915 17.6261 18.6286 18.6286 23.5112 23.5112 23.7585 24.0337 24.1563 24.1563 k = 0.1167 0.0674 0.0476 ( 1064 PWs) bands (ev): -61.8623 -61.8623 -31.7889 -31.7889 -20.8835 -20.8835 -20.8511 -20.8511 0.6308 0.6308 10.5855 10.5855 10.8448 10.8937 10.9811 10.9811 17.3982 17.4754 17.4754 17.6209 18.7141 18.7141 23.4631 23.4631 23.7569 24.0496 24.1585 24.1585 k = 0.1250 0.0722 0.0510 ( 1064 PWs) bands (ev): -61.8620 -61.8620 -31.7901 -31.7901 -20.8891 -20.8891 -20.8522 -20.8522 0.6559 0.6559 10.5644 10.5644 10.8593 10.9113 10.9969 10.9969 17.3802 17.4592 17.4592 17.6157 18.8031 18.8031 23.4126 23.4126 23.7543 24.0637 24.1593 24.1593 k = 0.1333 0.0770 0.0544 ( 1070 PWs) bands (ev): -61.8618 -61.8618 -31.7915 -31.7915 -20.8951 -20.8951 -20.8535 -20.8535 0.6822 0.6822 10.5433 10.5433 10.8745 10.9296 11.0135 11.0135 17.3628 17.4432 17.4432 17.6106 18.8950 18.8950 23.3602 23.3602 23.7505 24.0758 24.1584 24.1584 k = 0.1417 0.0818 0.0578 ( 1070 PWs) bands (ev): -61.8615 -61.8615 -31.7928 -31.7928 -20.9013 -20.9013 -20.8547 -20.8547 0.7098 0.7098 10.5226 10.5226 10.8904 10.9485 11.0310 11.0310 17.3464 17.4276 17.4276 17.6060 18.9889 18.9889 23.3063 23.3063 23.7451 24.0855 24.1554 24.1554 k = 0.1500 0.0866 0.0612 ( 1073 PWs) bands (ev): -61.8613 -61.8613 -31.7942 -31.7942 -20.9078 -20.9078 -20.8560 -20.8560 0.7385 0.7385 10.5024 10.5024 10.9070 10.9680 11.0493 11.0493 17.3312 17.4126 17.4126 17.6020 19.0843 19.0843 23.2515 23.2515 23.7378 24.0926 24.1499 24.1499 k = 0.1583 0.0914 0.0646 ( 1073 PWs) bands (ev): -61.8610 -61.8610 -31.7957 -31.7957 -20.9145 -20.9145 -20.8573 -20.8573 0.7682 0.7682 10.4830 10.4830 10.9241 10.9879 11.0682 11.0682 17.3172 17.3984 17.3984 17.5987 19.1804 19.1804 23.1963 23.1963 23.7284 24.0967 24.1416 24.1416 k = 0.1667 0.0962 0.0680 ( 1067 PWs) bands (ev): -61.8606 -61.8606 -31.7971 -31.7971 -20.9213 -20.9213 -20.8586 -20.8586 0.7988 0.7988 10.4647 10.4647 10.9418 11.0082 11.0877 11.0877 17.3047 17.3852 17.3852 17.5964 19.2761 19.2761 23.1415 23.1415 23.7167 24.0975 24.1303 24.1303 k = 0.1750 0.1010 0.0714 ( 1074 PWs) bands (ev): -61.8603 -61.8603 -31.7987 -31.7987 -20.9286 -20.9286 -20.8600 -20.8600 0.8302 0.8302 10.4476 10.4476 10.9598 11.0287 11.1077 11.1077 17.2939 17.3730 17.3730 17.5952 19.3706 19.3706 23.0876 23.0876 23.7022 24.0947 24.1155 24.1155 k = 0.1833 0.1058 0.0748 ( 1074 PWs) bands (ev): -61.8600 -61.8600 -31.8003 -31.8003 -20.9359 -20.9359 -20.8614 -20.8614 0.8623 0.8623 10.4320 10.4320 10.9782 11.0494 11.1281 11.1281 17.2849 17.3622 17.3622 17.5953 19.4628 19.4628 23.0355 23.0355 23.6849 24.0882 24.0971 24.0971 k = 0.1917 0.1107 0.0782 ( 1071 PWs) bands (ev): -61.8596 -61.8596 -31.8019 -31.8019 -20.9432 -20.9432 -20.8629 -20.8629 0.8951 0.8951 10.4181 10.4181 10.9969 11.0703 11.1488 11.1488 17.2780 17.3530 17.3530 17.5969 19.5514 19.5514 22.9862 22.9862 23.6645 24.0749 24.0749 24.0776 k = 0.2000 0.1155 0.0816 ( 1077 PWs) bands (ev): -61.8593 -61.8593 -31.8036 -31.8036 -20.9509 -20.9509 -20.8645 -20.8645 0.9283 0.9283 10.4060 10.4060 11.0157 11.0911 11.1698 11.1698 17.2732 17.3453 17.3453 17.6000 19.6352 19.6352 22.9404 22.9404 23.6408 24.0487 24.0487 24.0629 k = 0.2083 0.1203 0.0851 ( 1071 PWs) bands (ev): -61.8589 -61.8589 -31.8052 -31.8052 -20.9586 -20.9586 -20.8659 -20.8659 0.9619 0.9619 10.3958 10.3958 11.0347 11.1120 11.1908 11.1908 17.2708 17.3394 17.3394 17.6050 19.7127 19.7127 22.8993 22.8993 23.6138 24.0185 24.0185 24.0438 k = 0.2167 0.1251 0.0885 ( 1071 PWs) bands (ev): -61.8585 -61.8585 -31.8070 -31.8070 -20.9664 -20.9664 -20.8674 -20.8674 0.9959 0.9959 10.3878 10.3878 11.0537 11.1326 11.2120 11.2120 17.2709 17.3355 17.3355 17.6119 19.7825 19.7825 22.8639 22.8639 23.5832 23.9839 23.9839 24.0202 k = 0.2250 0.1299 0.0919 ( 1074 PWs) bands (ev): -61.8582 -61.8582 -31.8087 -31.8087 -20.9743 -20.9743 -20.8690 -20.8690 1.0300 1.0300 10.3820 10.3820 11.0727 11.1531 11.2331 11.2331 17.2735 17.3335 17.3335 17.6209 19.8432 19.8432 22.8352 22.8352 23.5489 23.9452 23.9452 23.9920 k = 0.2333 0.1347 0.0953 ( 1074 PWs) bands (ev): -61.8578 -61.8578 -31.8105 -31.8105 -20.9822 -20.9822 -20.8706 -20.8706 1.0642 1.0642 10.3786 10.3786 11.0916 11.1732 11.2541 11.2541 17.2789 17.3338 17.3338 17.6320 19.8932 19.8932 22.8142 22.8142 23.5110 23.9021 23.9021 23.9592 k = 0.2417 0.1395 0.0987 ( 1077 PWs) bands (ev): -61.8575 -61.8575 -31.8122 -31.8122 -20.9902 -20.9902 -20.8722 -20.8722 1.0983 1.0983 10.3775 10.3775 11.1104 11.1929 11.2750 11.2750 17.2871 17.3363 17.3363 17.6453 19.9314 19.9314 22.8016 22.8016 23.4693 23.8549 23.8549 23.9218 k = 0.2500 0.1443 0.1021 ( 1077 PWs) bands (ev): -61.8571 -61.8571 -31.8140 -31.8140 -20.9981 -20.9981 -20.8738 -20.8738 1.1323 1.1323 10.3790 10.3790 11.1289 11.2122 11.2956 11.2956 17.2982 17.3411 17.3411 17.6609 19.9567 19.9567 22.7979 22.7979 23.4240 23.8035 23.8035 23.8797 k = 0.2583 0.1491 0.1055 ( 1077 PWs) bands (ev): -61.8567 -61.8567 -31.8158 -31.8158 -21.0060 -21.0060 -20.8754 -20.8754 1.1661 1.1661 10.3830 10.3830 11.1472 11.2309 11.3158 11.3158 17.3123 17.3482 17.3482 17.6789 19.9686 19.9686 22.8032 22.8032 23.3751 23.7482 23.7482 23.8331 k = 0.2667 0.1540 0.1089 ( 1077 PWs) bands (ev): -61.8563 -61.8563 -31.8175 -31.8175 -21.0139 -21.0139 -20.8770 -20.8770 1.1995 1.1995 10.3895 10.3895 11.1651 11.2491 11.3357 11.3357 17.3295 17.3578 17.3578 17.6994 19.9668 19.9668 22.8170 22.8170 23.3226 23.6890 23.6890 23.7820 k = 0.2750 0.1588 0.1123 ( 1077 PWs) bands (ev): -61.8560 -61.8560 -31.8192 -31.8192 -21.0218 -21.0218 -20.8786 -20.8786 1.2325 1.2325 10.3986 10.3986 11.1826 11.2666 11.3552 11.3552 17.3497 17.3697 17.3697 17.7222 19.9515 19.9515 22.8386 22.8386 23.2667 23.6263 23.6263 23.7265 k = 0.2833 0.1636 0.1157 ( 1083 PWs) bands (ev): -61.8557 -61.8557 -31.8210 -31.8210 -21.0296 -21.0296 -20.8802 -20.8802 1.2649 1.2649 10.4103 10.4103 11.1997 11.2833 11.3741 11.3741 17.3730 17.3840 17.3840 17.7475 19.9234 19.9234 22.8666 22.8666 23.2075 23.5601 23.5601 23.6669 k = 0.2917 0.1684 0.1191 ( 1083 PWs) bands (ev): -61.8553 -61.8553 -31.8227 -31.8227 -21.0372 -21.0372 -20.8818 -20.8818 1.2967 1.2967 10.4245 10.4245 11.2163 11.2994 11.3925 11.3925 17.3993 17.4007 17.4007 17.7751 19.8835 19.8835 22.8994 22.8994 23.1452 23.4909 23.4909 23.6033 k = 0.3000 0.1732 0.1225 ( 1083 PWs) bands (ev): -61.8549 -61.8549 -31.8244 -31.8244 -21.0448 -21.0448 -20.8833 -20.8833 1.3278 1.3278 10.4411 10.4411 11.2324 11.3146 11.4103 11.4103 17.4196 17.4196 17.4287 17.8051 19.8330 19.8330 22.9351 22.9351 23.0801 23.4192 23.4192 23.5360 k = 0.3083 0.1780 0.1259 ( 1083 PWs) bands (ev): -61.8546 -61.8546 -31.8261 -31.8261 -21.0522 -21.0522 -20.8848 -20.8848 1.3581 1.3581 10.4600 10.4600 11.2479 11.3290 11.4275 11.4275 17.4406 17.4406 17.4612 17.8374 19.7732 19.7732 22.9716 22.9716 23.0125 23.3454 23.3454 23.4651 k = 0.3167 0.1828 0.1293 ( 1089 PWs) bands (ev): -61.8543 -61.8543 -31.8277 -31.8277 -21.0594 -21.0594 -20.8863 -20.8863 1.3876 1.3876 10.4812 10.4812 11.2629 11.3426 11.4440 11.4440 17.4636 17.4636 17.4965 17.8718 19.7056 19.7056 22.9425 23.0063 23.0063 23.2709 23.2709 23.3911 k = 0.3250 0.1876 0.1327 ( 1089 PWs) bands (ev): -61.8540 -61.8540 -31.8293 -31.8293 -21.0665 -21.0665 -20.8877 -20.8877 1.4161 1.4161 10.5044 10.5044 11.2772 11.3553 11.4599 11.4599 17.4884 17.4884 17.5347 17.9082 19.6316 19.6316 22.8706 23.0343 23.0343 23.1993 23.1993 23.3141 k = 0.3333 0.1925 0.1361 ( 1089 PWs) bands (ev): -61.8536 -61.8536 -31.8309 -31.8309 -21.0733 -21.0733 -20.8891 -20.8891 1.4435 1.4435 10.5296 10.5296 11.2910 11.3672 11.4750 11.4750 17.5149 17.5149 17.5756 17.9465 19.5526 19.5526 22.7970 23.0392 23.0392 23.1462 23.1462 23.2346 k = 0.3417 0.1973 0.1395 ( 1089 PWs) bands (ev): -61.8533 -61.8533 -31.8324 -31.8324 -21.0800 -21.0800 -20.8905 -20.8905 1.4700 1.4700 10.5566 10.5566 11.3042 11.3782 11.4895 11.4895 17.5426 17.5426 17.6191 17.9863 19.4701 19.4701 22.7223 22.9927 22.9927 23.1392 23.1392 23.1529 k = 0.3500 0.2021 0.1429 ( 1089 PWs) bands (ev): -61.8530 -61.8530 -31.8338 -31.8338 -21.0864 -21.0864 -20.8918 -20.8918 1.4953 1.4953 10.5850 10.5850 11.3167 11.3883 11.5032 11.5032 17.5713 17.5713 17.6649 18.0276 19.3854 19.3854 22.6468 22.9192 22.9192 23.0693 23.1537 23.1537 k = 0.3583 0.2069 0.1463 ( 1083 PWs) bands (ev): -61.8526 -61.8526 -31.8351 -31.8351 -21.0925 -21.0925 -20.8929 -20.8929 1.5194 1.5194 10.6147 10.6147 11.3286 11.3976 11.5162 11.5162 17.6006 17.6006 17.7131 18.0701 19.2997 19.2997 22.5711 22.8393 22.8393 22.9844 23.1694 23.1694 k = 0.3667 0.2117 0.1497 ( 1083 PWs) bands (ev): -61.8523 -61.8523 -31.8365 -31.8365 -21.0984 -21.0984 -20.8941 -20.8941 1.5423 1.5423 10.6454 10.6454 11.3399 11.4060 11.5285 11.5285 17.6299 17.6299 17.7631 18.1132 19.2144 19.2144 22.4955 22.7574 22.7574 22.8984 23.1820 23.1820 k = 0.3750 0.2165 0.1531 ( 1083 PWs) bands (ev): -61.8521 -61.8521 -31.8377 -31.8377 -21.1040 -21.1040 -20.8953 -20.8953 1.5640 1.5640 10.6768 10.6768 11.3505 11.4136 11.5401 11.5401 17.6588 17.6588 17.8148 18.1568 19.1307 19.1307 22.4206 22.6754 22.6754 22.8119 23.1908 23.1908 k = 0.3833 0.2213 0.1565 ( 1083 PWs) bands (ev): -61.8518 -61.8518 -31.8389 -31.8389 -21.1093 -21.1093 -20.8964 -20.8964 1.5844 1.5844 10.7085 10.7085 11.3606 11.4203 11.5510 11.5510 17.6865 17.6865 17.8679 18.2004 19.0500 19.0500 22.3471 22.5942 22.5942 22.7253 23.1957 23.1957 k = 0.3917 0.2261 0.1599 ( 1077 PWs) bands (ev): -61.8515 -61.8515 -31.8400 -31.8400 -21.1143 -21.1143 -20.8973 -20.8973 1.6034 1.6034 10.7403 10.7403 11.3700 11.4263 11.5612 11.5612 17.7125 17.7125 17.9221 18.2435 18.9733 18.9733 22.2755 22.5144 22.5144 22.6392 23.1972 23.1972 k = 0.4000 0.2309 0.1633 ( 1083 PWs) bands (ev): -61.8513 -61.8513 -31.8411 -31.8411 -21.1191 -21.1191 -20.8983 -20.8983 1.6211 1.6211 10.7718 10.7718 11.3789 11.4315 11.5707 11.5707 17.7359 17.7359 17.9769 18.2855 18.9020 18.9020 22.2065 22.4367 22.4367 22.5541 23.1957 23.1957 k = 0.4083 0.2358 0.1667 ( 1083 PWs) bands (ev): -61.8511 -61.8511 -31.8421 -31.8421 -21.1235 -21.1235 -20.8991 -20.8991 1.6375 1.6375 10.8025 10.8025 11.3871 11.4359 11.5795 11.5795 17.7560 17.7560 18.0320 18.3261 18.8372 18.8372 22.1409 22.3617 22.3617 22.4704 23.1919 23.1919 k = 0.4167 0.2406 0.1701 ( 1077 PWs) bands (ev): -61.8508 -61.8508 -31.8430 -31.8430 -21.1275 -21.1275 -20.8999 -20.8999 1.6525 1.6525 10.8322 10.8322 11.3948 11.4397 11.5877 11.5877 17.7721 17.7721 18.0868 18.3645 18.7799 18.7799 22.0793 22.2902 22.2902 22.3890 23.1864 23.1864 k = 0.4250 0.2454 0.1735 ( 1074 PWs) bands (ev): -61.8506 -61.8506 -31.8438 -31.8438 -21.1311 -21.1311 -20.9006 -20.9006 1.6661 1.6661 10.8605 10.8605 11.4020 11.4427 11.5952 11.5952 17.7837 17.7837 18.1409 18.4000 18.7309 18.7309 22.0225 22.2227 22.2227 22.3103 23.1798 23.1798 k = 0.4333 0.2502 0.1769 ( 1074 PWs) bands (ev): -61.8505 -61.8505 -31.8446 -31.8446 -21.1344 -21.1344 -20.9013 -20.9013 1.6782 1.6782 10.8870 10.8870 11.4086 11.4451 11.6020 11.6020 17.7905 17.7905 18.1938 18.4321 18.6905 18.6905 21.9712 22.1600 22.1600 22.2350 23.1725 23.1725 k = 0.4417 0.2550 0.1803 ( 1074 PWs) bands (ev): -61.8503 -61.8503 -31.8452 -31.8452 -21.1373 -21.1373 -20.9019 -20.9019 1.6890 1.6890 10.9112 10.9112 11.4146 11.4468 11.6080 11.6080 17.7927 17.7927 18.2448 18.4601 18.6587 18.6587 21.9263 22.1027 22.1027 22.1638 23.1651 23.1651 k = 0.4500 0.2598 0.1837 ( 1074 PWs) bands (ev): -61.8502 -61.8502 -31.8458 -31.8458 -21.1399 -21.1399 -20.9024 -20.9024 1.6983 1.6983 10.9330 10.9330 11.4202 11.4480 11.6134 11.6134 17.7911 17.7911 18.2933 18.4834 18.6349 18.6349 21.8884 22.0514 22.0514 22.0974 23.1579 23.1579 k = 0.4583 0.2646 0.1871 ( 1074 PWs) bands (ev): -61.8501 -61.8501 -31.8463 -31.8463 -21.1421 -21.1421 -20.9029 -20.9029 1.7062 1.7062 10.9520 10.9520 11.4253 11.4485 11.6180 11.6180 17.7866 17.7866 18.3387 18.5012 18.6179 18.6179 21.8582 22.0067 22.0067 22.0365 23.1513 23.1513 k = 0.4667 0.2694 0.1905 ( 1074 PWs) bands (ev): -61.8500 -61.8500 -31.8467 -31.8467 -21.1438 -21.1438 -20.9032 -20.9032 1.7127 1.7127 10.9679 10.9679 11.4298 11.4485 11.6218 11.6218 17.7805 17.7805 18.3803 18.5133 18.6065 18.6065 21.8363 21.9693 21.9693 21.9819 23.1455 23.1455 k = 0.4750 0.2742 0.1939 ( 1068 PWs) bands (ev): -61.8499 -61.8499 -31.8470 -31.8470 -21.1452 -21.1452 -20.9035 -20.9035 1.7177 1.7177 10.9806 10.9806 11.4339 11.4479 11.6249 11.6249 17.7742 17.7742 18.4175 18.5190 18.5994 18.5994 21.8232 21.9342 21.9396 21.9396 23.1408 23.1408 k = 0.4833 0.2791 0.1973 ( 1068 PWs) bands (ev): -61.8498 -61.8498 -31.8472 -31.8472 -21.1462 -21.1462 -20.9037 -20.9037 1.7213 1.7213 10.9897 10.9897 11.4375 11.4468 11.6270 11.6270 17.7687 17.7687 18.4497 18.5182 18.5953 18.5953 21.8192 21.8940 21.9181 21.9181 23.1373 23.1373 k = 0.4917 0.2839 0.2007 ( 1068 PWs) bands (ev): -61.8498 -61.8498 -31.8474 -31.8474 -21.1468 -21.1468 -20.9038 -20.9038 1.7235 1.7235 10.9953 10.9953 11.4405 11.4452 11.6284 11.6284 17.7651 17.7651 18.4762 18.5108 18.5933 18.5933 21.8244 21.8620 21.9050 21.9050 23.1352 23.1352 k = 0.5000 0.2887 0.2041 ( 1068 PWs) bands (ev): -61.8498 -61.8498 -31.8474 -31.8474 -21.1470 -21.1470 -20.9039 -20.9039 1.7242 1.7242 10.9971 10.9971 11.4431 11.4431 11.6288 11.6288 17.7638 17.7638 18.4967 18.4967 18.5927 18.5927 21.8387 21.8387 21.9006 21.9006 23.1345 23.1345 k = 0.5000 0.2887 0.2041 ( 1068 PWs) bands (ev): -61.8498 -61.8498 -31.8474 -31.8474 -21.1470 -21.1470 -20.9039 -20.9039 1.7242 1.7242 10.9971 10.9971 11.4431 11.4431 11.6288 11.6288 17.7638 17.7638 18.4967 18.4967 18.5927 18.5927 21.8387 21.8387 21.9006 21.9006 23.1345 23.1345 k = 0.5029 0.2803 0.2089 ( 1068 PWs) bands (ev): -61.8498 -61.8498 -31.8477 -31.8471 -21.1481 -21.1458 -20.9040 -20.9040 1.7182 1.7312 10.9947 11.0005 11.4432 11.4433 11.6258 11.6323 17.7480 17.7758 18.4958 18.4958 18.5743 18.6070 21.8357 21.8364 21.8978 21.9133 23.1360 23.1420 k = 0.5058 0.2719 0.2136 ( 1068 PWs) bands (ev): -61.8498 -61.8498 -31.8481 -31.8469 -21.1493 -21.1445 -20.9044 -20.9044 1.7132 1.7391 10.9932 11.0048 11.4432 11.4439 11.6235 11.6362 17.7283 17.7842 18.4923 18.4933 18.5526 18.6175 21.8279 21.8319 21.9044 21.9326 23.1466 23.1584 k = 0.5087 0.2635 0.2184 ( 1072 PWs) bands (ev): -61.8498 -61.8498 -31.8486 -31.8467 -21.1504 -21.1433 -20.9052 -20.9052 1.7092 1.7480 10.9926 11.0098 11.4427 11.4450 11.6225 11.6404 17.7044 17.7887 18.4836 18.4889 18.5305 18.6247 21.8187 21.8273 21.9169 21.9560 23.1662 23.1837 k = 0.5116 0.2551 0.2231 ( 1076 PWs) bands (ev): -61.8498 -61.8498 -31.8490 -31.8466 -21.1515 -21.1420 -20.9062 -20.9061 1.7063 1.7579 10.9931 11.0155 11.4412 11.4467 11.6232 11.6450 17.6762 17.7893 18.4632 18.4825 18.5148 18.6294 21.8102 21.8237 21.9331 21.9821 23.1947 23.2177 k = 0.5145 0.2467 0.2279 ( 1076 PWs) bands (ev): -61.8498 -61.8498 -31.8495 -31.8465 -21.1526 -21.1407 -20.9074 -20.9073 1.7043 1.7686 10.9945 11.0216 11.4384 11.4491 11.6261 11.6502 17.6434 17.7858 18.4302 18.4741 18.5073 18.6324 21.8033 21.8215 21.9519 22.0101 23.2321 23.2602 k = 0.5174 0.2383 0.2326 ( 1078 PWs) bands (ev): -61.8497 -61.8497 -31.8501 -31.8464 -21.1536 -21.1394 -20.9090 -20.9088 1.7032 1.7803 10.9967 11.0280 11.4339 11.4522 11.6317 11.6562 17.6057 17.7774 18.3896 18.4637 18.5037 18.6345 21.7980 21.8207 21.9726 22.0394 23.2780 23.3110 k = 0.5203 0.2299 0.2374 ( 1078 PWs) bands (ev): -61.8497 -61.8497 -31.8506 -31.8464 -21.1546 -21.1380 -20.9108 -20.9105 1.7032 1.7927 10.9997 11.0344 11.4277 11.4558 11.6403 11.6633 17.5630 17.7638 18.3449 18.4513 18.5020 18.6363 21.7944 21.8214 21.9949 22.0695 23.3323 23.3698 k = 0.5233 0.2215 0.2421 ( 1078 PWs) bands (ev): -61.8496 -61.8496 -31.8512 -31.8464 -21.1556 -21.1366 -20.9129 -20.9124 1.7041 1.8060 11.0032 11.0405 11.4198 11.4603 11.6520 11.6719 17.5151 17.7439 18.2978 18.4370 18.5018 18.6386 21.7921 21.8236 22.0185 22.0998 23.3947 23.4365 k = 0.5262 0.2131 0.2468 ( 1078 PWs) bands (ev): -61.8495 -61.8495 -31.8519 -31.8465 -21.1565 -21.1351 -20.9152 -20.9146 1.7059 1.8200 11.0071 11.0460 11.4108 11.4655 11.6667 11.6821 17.4621 17.7168 18.2502 18.4211 18.5030 18.6416 21.7908 21.8270 22.0430 22.1300 23.4648 23.5106 k = 0.5291 0.2048 0.2516 ( 1082 PWs) bands (ev): -61.8495 -61.8495 -31.8526 -31.8466 -21.1575 -21.1337 -20.9178 -20.9170 1.7086 1.8347 11.0109 11.0503 11.4010 11.4719 11.6842 11.6942 17.4039 17.6817 18.2034 18.4040 18.5058 18.6456 21.7902 21.8315 22.0681 22.1596 23.5425 23.5921 k = 0.5320 0.1964 0.2563 ( 1082 PWs) bands (ev): -61.8494 -61.8494 -31.8532 -31.8468 -21.1584 -21.1322 -20.9207 -20.9196 1.7122 1.8501 11.0143 11.0532 11.3913 11.4799 11.7044 11.7085 17.3407 17.6377 18.1590 18.3859 18.5103 18.6509 21.7898 21.8370 22.0937 22.1883 23.6272 23.6806 k = 0.5349 0.1880 0.2611 ( 1084 PWs) bands (ev): -61.8493 -61.8493 -31.8540 -31.8470 -21.1592 -21.1307 -20.9237 -20.9224 1.7166 1.8660 11.0168 11.0540 11.3825 11.4897 11.7249 11.7271 17.2729 17.5847 18.1176 18.3671 18.5165 18.6575 21.7892 21.8432 22.1194 22.2156 23.7188 23.7758 k = 0.5378 0.1796 0.2658 ( 1082 PWs) bands (ev): -61.8492 -61.8492 -31.8547 -31.8472 -21.1601 -21.1291 -20.9270 -20.9252 1.7217 1.8824 11.0175 11.0524 11.3756 11.5019 11.7435 11.7521 17.2007 17.5227 18.0799 18.3479 18.5245 18.6654 21.7882 21.8499 22.1448 22.2413 23.8170 23.8776 k = 0.5407 0.1712 0.2706 ( 1082 PWs) bands (ev): -61.8491 -61.8491 -31.8555 -31.8474 -21.1609 -21.1276 -20.9305 -20.9283 1.7276 1.8993 11.0159 11.0482 11.3715 11.5169 11.7643 11.7792 17.1244 17.4527 18.0456 18.3284 18.5344 18.6746 21.7863 21.8568 22.1698 22.2650 23.9213 23.9856 k = 0.5436 0.1628 0.2753 ( 1084 PWs) bands (ev): -61.8490 -61.8490 -31.8563 -31.8477 -21.1617 -21.1260 -20.9342 -20.9315 1.7342 1.9166 11.0113 11.0410 11.3710 11.5350 11.7872 11.8082 17.0445 17.3755 18.0143 18.3089 18.5462 18.6850 21.7831 21.8638 22.1939 22.2863 24.0317 24.0996 k = 0.5465 0.1544 0.2801 ( 1084 PWs) bands (ev): -61.8488 -61.8488 -31.8570 -31.8480 -21.1625 -21.1244 -20.9381 -20.9349 1.7415 1.9342 11.0033 11.0309 11.3749 11.5565 11.8121 11.8391 16.9615 17.2925 17.9856 18.2896 18.5597 18.6966 21.7785 21.8707 22.2171 22.3050 24.1477 24.2193 k = 0.5494 0.1460 0.2848 ( 1084 PWs) bands (ev): -61.8487 -61.8487 -31.8579 -31.8484 -21.1632 -21.1229 -20.9421 -20.9383 1.7493 1.9521 10.9915 11.0179 11.3835 11.5814 11.8389 11.8716 16.8757 17.2047 17.9591 18.2706 18.5748 18.7092 21.7721 21.8771 22.2389 22.3209 24.2692 24.3445 k = 0.5523 0.1376 0.2896 ( 1084 PWs) bands (ev): -61.8486 -61.8486 -31.8587 -31.8488 -21.1640 -21.1213 -20.9463 -20.9418 1.7577 1.9701 10.9761 11.0021 11.3969 11.6098 11.8675 11.9057 16.7876 17.1131 17.9343 18.2521 18.5915 18.7227 21.7637 21.8829 22.2592 22.3338 24.3959 24.4750 k = 0.5552 0.1292 0.2943 ( 1084 PWs) bands (ev): -61.8484 -61.8484 -31.8595 -31.8492 -21.1648 -21.1197 -20.9506 -20.9453 1.7665 1.9883 10.9575 10.9839 11.4149 11.6415 11.8977 11.9412 16.6975 17.0187 17.9109 18.2342 18.6095 18.7368 21.7530 21.8879 22.2777 22.3433 24.5276 24.6104 k = 0.5581 0.1208 0.2991 ( 1084 PWs) bands (ev): -61.8483 -61.8483 -31.8603 -31.8496 -21.1655 -21.1181 -20.9550 -20.9489 1.7758 2.0064 10.9360 10.9635 11.4373 11.6764 11.9294 11.9780 16.6061 16.9222 17.8890 18.2170 18.6288 18.7516 21.7400 21.8918 22.2942 22.3495 24.6641 24.7506 k = 0.5610 0.1124 0.3038 ( 1082 PWs) bands (ev): -61.8481 -61.8481 -31.8611 -31.8501 -21.1662 -21.1165 -20.9595 -20.9525 1.7855 2.0246 10.9122 10.9411 11.4636 11.7145 11.9624 12.0160 16.5135 16.8243 17.8683 18.2007 18.6491 18.7667 21.7245 21.8944 22.3085 22.3523 24.8051 24.8953 k = 0.5640 0.1041 0.3086 ( 1082 PWs) bands (ev): -61.8480 -61.8480 -31.8620 -31.8505 -21.1670 -21.1149 -20.9641 -20.9562 1.7954 2.0425 10.8864 10.9170 11.4936 11.7555 11.9967 12.0551 16.4203 16.7256 17.8489 18.1854 18.6702 18.7820 21.7065 21.8956 22.3205 22.3515 24.9504 25.0442 k = 0.5669 0.0957 0.3133 ( 1081 PWs) bands (ev): -61.8478 -61.8478 -31.8628 -31.8510 -21.1677 -21.1133 -20.9687 -20.9598 1.8057 2.0603 10.8591 10.8915 11.5268 11.7992 12.0321 12.0951 16.3268 16.6266 17.8308 18.1713 18.6920 18.7971 21.6858 21.8951 22.3300 22.3473 25.0998 25.1970 k = 0.5698 0.0873 0.3181 ( 1081 PWs) bands (ev): -61.8477 -61.8477 -31.8636 -31.8515 -21.1684 -21.1118 -20.9734 -20.9634 1.8161 2.0778 10.8306 10.8647 11.5631 11.8456 12.0684 12.1358 16.2334 16.5278 17.8142 18.1585 18.7141 18.8120 21.6625 21.8929 22.3369 22.3396 25.2530 25.3536 k = 0.5727 0.0789 0.3228 ( 1083 PWs) bands (ev): -61.8475 -61.8475 -31.8644 -31.8521 -21.1692 -21.1103 -20.9781 -20.9669 1.8266 2.0950 10.8012 10.8369 11.6020 11.8943 12.1057 12.1773 16.1404 16.4296 17.7990 18.1471 18.7364 18.8263 21.6368 21.8886 22.3285 22.3410 25.4099 25.5137 k = 0.5756 0.0705 0.3275 ( 1083 PWs) bands (ev): -61.8474 -61.8474 -31.8652 -31.8526 -21.1700 -21.1089 -20.9827 -20.9704 1.8373 2.1117 10.7711 10.8083 11.6434 11.9452 12.1437 12.2192 16.0483 16.3325 17.7856 18.1373 18.7586 18.8398 21.6086 21.8824 22.3143 22.3423 25.5701 25.6769 k = 0.5785 0.0621 0.3323 ( 1083 PWs) bands (ev): -61.8472 -61.8472 -31.8660 -31.8531 -21.1707 -21.1075 -20.9873 -20.9738 1.8479 2.1280 10.7405 10.7790 11.6870 11.9979 12.1824 12.2615 15.9574 16.2368 17.7738 18.1291 18.7804 18.8523 21.5783 21.8739 22.2971 22.3407 25.7335 25.8430 k = 0.5814 0.0537 0.3370 ( 1083 PWs) bands (ev): -61.8471 -61.8471 -31.8667 -31.8537 -21.1714 -21.1062 -20.9918 -20.9771 1.8586 2.1437 10.7095 10.7492 11.7326 12.0521 12.2219 12.3041 15.8680 16.1430 17.7640 18.1229 18.8016 18.8635 21.5459 21.8632 22.2772 22.3362 25.8997 26.0117 k = 0.5843 0.0453 0.3418 ( 1083 PWs) bands (ev): -61.8470 -61.8470 -31.8675 -31.8542 -21.1722 -21.1050 -20.9962 -20.9802 1.8691 2.1588 10.6783 10.7190 11.7799 12.1075 12.2620 12.3467 15.7807 16.0515 17.7562 18.1185 18.8219 18.8731 21.5119 21.8501 22.2549 22.3287 26.0685 26.1828 k = 0.5872 0.0369 0.3465 ( 1085 PWs) bands (ev): -61.8468 -61.8468 -31.8682 -31.8547 -21.1730 -21.1040 -21.0004 -20.9832 1.8796 2.1732 10.6471 10.6885 11.8286 12.1634 12.3030 12.3893 15.6956 15.9627 17.7505 18.1162 18.8410 18.8808 21.4764 21.8345 22.2305 22.3182 26.2397 26.3559 k = 0.5901 0.0285 0.3513 ( 1087 PWs) bands (ev): -61.8467 -61.8467 -31.8689 -31.8553 -21.1738 -21.1031 -21.0044 -20.9861 1.8898 2.1869 10.6158 10.6578 11.8785 12.2190 12.3452 12.4316 15.6134 15.8768 17.7470 18.1160 18.8585 18.8864 21.4400 21.8165 22.2045 22.3047 26.4128 26.5306 k = 0.5930 0.0201 0.3560 ( 1085 PWs) bands (ev): -61.8466 -61.8466 -31.8695 -31.8558 -21.1745 -21.1023 -21.0082 -20.9888 1.8998 2.1998 10.5846 10.6270 11.9293 12.2734 12.3891 12.4736 15.5344 15.7945 17.7459 18.1181 18.8742 18.8896 21.4030 21.7961 22.1773 22.2883 26.5877 26.7068 k = 0.5959 0.0117 0.3608 ( 1087 PWs) bands (ev): -61.8465 -61.8465 -31.8701 -31.8563 -21.1753 -21.1018 -21.0117 -20.9913 1.9095 2.2118 10.5535 10.5961 11.9805 12.3254 12.4354 12.5150 15.4591 15.7161 17.7473 18.1225 18.8876 18.8901 21.3658 21.7731 22.1493 22.2691 26.7641 26.8841 k = 0.5988 0.0034 0.3655 ( 1091 PWs) bands (ev): -61.8464 -61.8464 -31.8708 -31.8569 -21.1762 -21.1015 -21.0149 -20.9937 1.9189 2.2230 10.5226 10.5653 12.0317 12.3738 12.4844 12.5557 15.3881 15.6420 17.7512 18.1292 18.8878 18.8985 21.3290 21.7477 22.1211 22.2470 26.9415 27.0621 k = 0.6017-0.0050 0.3703 ( 1091 PWs) bands (ev): -61.8463 -61.8463 -31.8713 -31.8574 -21.1769 -21.1014 -21.0177 -20.9958 1.9279 2.2332 10.4919 10.5345 12.0826 12.4181 12.5361 12.5956 15.3219 15.5728 17.7578 18.1383 18.8825 18.9067 21.2931 21.7198 22.0932 22.2224 27.1196 27.2404 k = 0.6047-0.0134 0.3750 ( 1085 PWs) bands (ev): -61.8461 -61.8461 -31.8717 -31.8578 -21.1776 -21.1015 -21.0200 -20.9976 1.9364 2.2426 10.4614 10.5039 12.1328 12.4585 12.5897 12.6344 15.2611 15.5088 17.7671 18.1498 18.8741 18.9118 21.2586 21.6896 22.0661 22.1953 27.2982 27.4186 k = 0.6076-0.0218 0.3798 ( 1085 PWs) bands (ev): -61.8460 -61.8460 -31.8722 -31.8582 -21.1782 -21.1019 -21.0219 -20.9993 1.9446 2.2508 10.4312 10.4734 12.1817 12.4954 12.6437 12.6720 15.2064 15.4506 17.7790 18.1637 18.8625 18.9135 21.2260 21.6570 22.0403 22.1659 27.4767 27.5964 k = 0.6105-0.0302 0.3845 ( 1082 PWs) bands (ev): -61.8459 -61.8459 -31.8725 -31.8586 -21.1788 -21.1026 -21.0235 -21.0008 1.9522 2.2581 10.4013 10.4431 12.2288 12.5292 12.6970 12.7081 15.1585 15.3987 17.7937 18.1798 18.8477 18.9118 21.1958 21.6223 22.0162 22.1345 27.6547 27.7730 k = 0.6134-0.0386 0.3893 ( 1083 PWs) bands (ev): -61.8458 -61.8458 -31.8729 -31.8590 -21.1794 -21.1035 -21.0246 -21.0021 1.9593 2.2643 10.3717 10.4130 12.2737 12.5604 12.7425 12.7482 15.1181 15.3535 17.8111 18.1981 18.8298 18.9066 21.1683 21.5855 21.9942 22.1011 27.8318 27.9477 k = 0.6163-0.0470 0.3940 ( 1083 PWs) bands (ev): -61.8457 -61.8457 -31.8732 -31.8593 -21.1800 -21.1047 -21.0253 -21.0032 1.9659 2.2695 10.3423 10.3831 12.3160 12.5890 12.7750 12.7963 15.0857 15.3154 17.8311 18.2183 18.8091 18.8978 21.1439 21.5468 21.9747 22.0662 28.0071 28.1193 k = 0.6192-0.0554 0.3988 ( 1081 PWs) bands (ev): -61.8456 -61.8456 -31.8734 -31.8596 -21.1804 -21.1061 -21.0255 -21.0040 1.9718 2.2735 10.3133 10.3534 12.3551 12.6152 12.8053 12.8404 15.0622 15.2849 17.8536 18.2401 18.7861 18.8857 21.1228 21.5067 21.9579 22.0301 28.1798 28.2852 k = 0.6221-0.0638 0.4035 ( 1077 PWs) bands (ev): -61.8455 -61.8455 -31.8735 -31.8599 -21.1807 -21.1075 -21.0254 -21.0046 1.9771 2.2764 10.2845 10.3240 12.3908 12.6388 12.8332 12.8796 15.0479 15.2624 17.8786 18.2630 18.7614 18.8705 21.1054 21.4652 21.9442 21.9931 28.3470 28.4366 k = 0.6250-0.0722 0.4082 ( 1069 PWs) bands (ev): -61.8454 -61.8454 -31.8735 -31.8601 -21.1808 -21.1090 -21.0249 -21.0050 1.9818 2.2782 10.2561 10.2949 12.4227 12.6599 12.8584 12.9133 15.0433 15.2478 17.9059 18.2863 18.7361 18.8528 21.0914 21.4228 21.9336 21.9557 28.4845 28.5347 k = 0.6250-0.0722 0.4082 ( 1069 PWs) bands (ev): -61.8454 -61.8454 -31.8735 -31.8601 -21.1808 -21.1090 -21.0249 -21.0050 1.9818 2.2782 10.2561 10.2949 12.4227 12.6599 12.8584 12.9133 15.0433 15.2478 17.9059 18.2863 18.7361 18.8528 21.0914 21.4228 21.9336 21.9557 28.4845 28.5347 k = 0.6200-0.0693 0.4164 ( 1079 PWs) bands (ev): -61.8455 -61.8455 -31.8737 -31.8602 -21.1809 -21.1091 -21.0251 -21.0052 1.9818 2.2784 10.2574 10.2964 12.4168 12.6548 12.8502 12.9296 15.0440 15.2482 17.9007 18.2849 18.7319 18.8598 21.0871 21.4281 21.8923 21.9987 28.4863 28.5358 k = 0.6150-0.0664 0.4246 ( 1079 PWs) bands (ev): -61.8455 -61.8455 -31.8737 -31.8602 -21.1808 -21.1089 -21.0254 -21.0054 1.9819 2.2792 10.2616 10.3011 12.4000 12.6382 12.8432 12.9618 15.0460 15.2493 17.8859 18.2803 18.7231 18.8776 21.0753 21.4431 21.8442 22.0524 28.4917 28.5392 k = 0.6100-0.0635 0.4327 ( 1085 PWs) bands (ev): -61.8456 -61.8456 -31.8738 -31.8602 -21.1808 -21.1087 -21.0259 -21.0058 1.9820 2.2804 10.2686 10.3087 12.3747 12.6090 12.8479 12.9977 15.0492 15.2513 17.8624 18.2710 18.7151 18.9010 21.0579 21.4645 21.7992 22.1074 28.5005 28.5450 k = 0.6050-0.0606 0.4409 ( 1083 PWs) bands (ev): -61.8455 -61.8455 -31.8739 -31.8602 -21.1806 -21.1083 -21.0265 -21.0063 1.9823 2.2821 10.2783 10.3195 12.3433 12.5699 12.8629 13.0339 15.0536 15.2542 17.8316 18.2558 18.7116 18.9267 21.0375 21.4879 21.7600 22.1633 28.5126 28.5531 k = 0.6000-0.0577 0.4491 ( 1087 PWs) bands (ev): -61.8456 -61.8456 -31.8740 -31.8603 -21.1804 -21.1078 -21.0273 -21.0070 1.9825 2.2842 10.2908 10.3331 12.3077 12.5244 12.8841 13.0690 15.0590 15.2582 17.7950 18.2338 18.7142 18.9527 21.0157 21.5070 21.7307 22.2194 28.5277 28.5637 k = 0.5950-0.0548 0.4572 ( 1087 PWs) bands (ev): -61.8456 -61.8456 -31.8741 -31.8603 -21.1802 -21.1071 -21.0283 -21.0077 1.9829 2.2867 10.3059 10.3497 12.2693 12.4749 12.9087 13.1023 15.0652 15.2634 17.7539 18.2055 18.7227 18.9782 20.9940 21.5134 21.7184 22.2757 28.5455 28.5768 k = 0.5900-0.0520 0.4654 ( 1087 PWs) bands (ev): -61.8455 -61.8455 -31.8743 -31.8603 -21.1799 -21.1063 -21.0293 -21.0086 1.9833 2.2896 10.3235 10.3690 12.2291 12.4231 12.9346 13.1332 15.0718 15.2700 17.7093 18.1717 18.7363 19.0023 20.9731 21.5019 21.7272 22.3317 28.5656 28.5925 k = 0.5850-0.0491 0.4736 ( 1088 PWs) bands (ev): -61.8455 -61.8455 -31.8744 -31.8604 -21.1796 -21.1055 -21.0306 -21.0096 1.9837 2.2929 10.3436 10.3910 12.1877 12.3698 12.9607 13.1614 15.0787 15.2781 17.6623 18.1338 18.7537 19.0249 20.9537 21.4763 21.7525 22.3871 28.5877 28.6108 k = 0.5800-0.0462 0.4817 ( 1088 PWs) bands (ev): -61.8455 -61.8455 -31.8746 -31.8604 -21.1792 -21.1045 -21.0319 -21.0107 1.9843 2.2964 10.3660 10.4155 12.1457 12.3157 12.9863 13.1869 15.0854 15.2879 17.6136 18.0931 18.7739 19.0456 20.9361 21.4433 21.7867 22.4416 28.6115 28.6319 k = 0.5750-0.0433 0.4899 ( 1086 PWs) bands (ev): -61.8455 -61.8455 -31.8747 -31.8604 -21.1788 -21.1033 -21.0334 -21.0118 1.9849 2.3001 10.3906 10.4424 12.1034 12.2613 13.0107 13.2094 15.0917 15.2994 17.5639 18.0508 18.7957 19.0643 20.9205 21.4071 21.8251 22.4948 28.6369 28.6556 k = 0.5700-0.0404 0.4981 ( 1088 PWs) bands (ev): -61.8455 -61.8455 -31.8749 -31.8605 -21.1784 -21.1022 -21.0350 -21.0131 1.9855 2.3040 10.4172 10.4713 12.0613 12.2069 13.0338 13.2291 15.0972 15.3127 17.5140 18.0079 18.8185 19.0809 20.9071 21.3697 21.8650 22.5464 28.6638 28.6820 k = 0.5650-0.0375 0.5062 ( 1088 PWs) bands (ev): -61.8455 -61.8455 -31.8751 -31.8605 -21.1780 -21.1009 -21.0367 -21.0144 1.9863 2.3081 10.4455 10.5022 12.0195 12.1530 13.0552 13.2460 15.1018 15.3276 17.4644 17.9655 18.8415 19.0954 20.8961 21.3324 21.9050 22.5960 28.6924 28.7107 k = 0.5600-0.0346 0.5144 ( 1088 PWs) bands (ev): -61.8454 -61.8454 -31.8753 -31.8606 -21.1777 -21.0995 -21.0385 -21.0157 1.9870 2.3121 10.4753 10.5347 11.9785 12.0998 13.0748 13.2602 15.1053 15.3437 17.4158 17.9241 18.8642 19.1078 20.8875 21.2956 21.9439 22.6432 28.7229 28.7415 k = 0.5550-0.0318 0.5226 ( 1087 PWs) bands (ev): -61.8454 -61.8454 -31.8754 -31.8606 -21.1773 -21.0980 -21.0403 -21.0171 1.9878 2.3162 10.5063 10.5685 11.9384 12.0477 13.0925 13.2719 15.1076 15.3607 17.3688 17.8846 18.8862 19.1183 20.8813 21.2597 21.9811 22.6878 28.7552 28.7743 k = 0.5500-0.0289 0.5307 ( 1089 PWs) bands (ev): -61.8454 -61.8454 -31.8756 -31.8607 -21.1769 -21.0965 -21.0422 -21.0184 1.9886 2.3203 10.5381 10.6032 11.8997 11.9970 13.1083 13.2813 15.1087 15.3781 17.3239 17.8474 18.9071 19.1268 20.8776 21.2248 22.0162 22.7294 28.7895 28.8088 k = 0.5450-0.0260 0.5389 ( 1083 PWs) bands (ev): -61.8453 -61.8453 -31.8758 -31.8606 -21.1765 -21.0948 -21.0441 -21.0197 1.9895 2.3242 10.5701 10.6383 11.8626 11.9481 13.1223 13.2887 15.1087 15.3954 17.2818 17.8131 18.9266 19.1336 20.8763 21.1914 22.0486 22.7677 28.8255 28.8448 k = 0.5400-0.0231 0.5471 ( 1083 PWs) bands (ev): -61.8453 -61.8453 -31.8759 -31.8607 -21.1761 -21.0932 -21.0460 -21.0210 1.9903 2.3279 10.6020 10.6732 11.8275 11.9015 13.1343 13.2943 15.1077 15.4120 17.2430 17.7820 18.9444 19.1389 20.8773 21.1593 22.0781 22.8024 28.8632 28.8822 k = 0.5350-0.0202 0.5552 ( 1079 PWs) bands (ev): -61.8452 -61.8452 -31.8760 -31.8607 -21.1758 -21.0915 -21.0479 -21.0221 1.9911 2.3314 10.6330 10.7074 11.7950 11.8576 13.1446 13.2983 15.1057 15.4273 17.2080 17.7545 18.9601 19.1428 20.8806 21.1289 22.1043 22.8334 28.9023 28.9205 k = 0.5300-0.0173 0.5634 ( 1079 PWs) bands (ev): -61.8452 -61.8452 -31.8762 -31.8607 -21.1755 -21.0898 -21.0498 -21.0232 1.9919 2.3346 10.6625 10.7400 11.7653 11.8171 13.1532 13.3011 15.1030 15.4410 17.1772 17.7308 18.9735 19.1457 20.8860 21.1001 22.1271 22.8604 28.9424 28.9593 k = 0.5250-0.0144 0.5715 ( 1079 PWs) bands (ev): -61.8452 -61.8452 -31.8763 -31.8608 -21.1753 -21.0882 -21.0517 -21.0242 1.9926 2.3374 10.6897 10.7701 11.7392 11.7807 13.1602 13.3030 15.0997 15.4525 17.1511 17.7110 18.9846 19.1477 20.8935 21.0732 22.1464 22.8833 28.9827 28.9980 k = 0.5200-0.0115 0.5797 ( 1077 PWs) bands (ev): -61.8451 -61.8451 -31.8764 -31.8608 -21.1752 -21.0867 -21.0534 -21.0250 1.9932 2.3398 10.7137 10.7968 11.7171 11.7491 13.1658 13.3041 15.0961 15.4618 17.1298 17.6951 18.9932 19.1493 20.9028 21.0483 22.1620 22.9019 29.0223 29.0356 k = 0.5150-0.0087 0.5879 ( 1079 PWs) bands (ev): -61.8451 -61.8451 -31.8765 -31.8608 -21.1751 -21.0853 -21.0549 -21.0257 1.9938 2.3418 10.7336 10.8190 11.6996 11.7231 13.1700 13.3047 15.0926 15.4686 17.1134 17.6830 18.9993 19.1504 20.9137 21.0256 22.1740 22.9163 29.0596 29.0705 k = 0.5100-0.0058 0.5960 ( 1084 PWs) bands (ev): -61.8452 -61.8452 -31.8766 -31.8609 -21.1750 -21.0843 -21.0563 -21.0263 1.9942 2.3433 10.7486 10.8357 11.6872 11.7036 13.1728 13.3049 15.0895 15.4731 17.1020 17.6748 19.0031 19.1511 20.9254 21.0056 22.1823 22.9264 29.0919 29.1008 k = 0.5050-0.0029 0.6042 ( 1084 PWs) bands (ev): -61.8452 -61.8452 -31.8767 -31.8609 -21.1750 -21.0836 -21.0571 -21.0266 1.9944 2.3442 10.7579 10.8461 11.6800 11.6916 13.1746 13.3050 15.0873 15.4754 17.0955 17.6700 19.0051 19.1516 20.9365 20.9896 22.1873 22.9324 29.1150 29.1232 k = 0.5000-0.0000 0.6124 ( 1084 PWs) bands (ev): -61.8452 -61.8452 -31.8767 -31.8609 -21.1749 -21.0833 -21.0574 -21.0267 1.9945 2.3445 10.7611 10.8496 11.6776 11.6875 13.1751 13.3050 15.0865 15.4761 17.0934 17.6685 19.0057 19.1518 20.9420 20.9826 22.1889 22.9344 29.1238 29.1324 k = 0.5000-0.0000 0.6124 ( 1084 PWs) bands (ev): -61.8452 -61.8452 -31.8767 -31.8609 -21.1749 -21.0833 -21.0574 -21.0267 1.9945 2.3445 10.7611 10.8496 11.6776 11.6875 13.1751 13.3050 15.0865 15.4761 17.0934 17.6685 19.0057 19.1518 20.9420 20.9826 22.1889 22.9344 29.1238 29.1324 k = 0.5000 0.0059 0.6040 ( 1084 PWs) bands (ev): -61.8452 -61.8452 -31.8767 -31.8609 -21.1749 -21.0833 -21.0572 -21.0265 1.9942 2.3440 10.7615 10.8504 11.6750 11.6870 13.1737 13.3050 15.0878 15.4747 17.0961 17.6699 19.0048 19.1516 20.9332 20.9969 22.1886 22.9335 29.1041 29.1115 k = 0.5000 0.0118 0.5957 ( 1084 PWs) bands (ev): -61.8452 -61.8452 -31.8766 -31.8608 -21.1749 -21.0835 -21.0568 -21.0261 1.9931 2.3427 10.7628 10.8526 11.6682 11.6846 13.1695 13.3047 15.0917 15.4709 17.1042 17.6739 19.0023 19.1508 20.9204 21.0263 22.1878 22.9310 29.0447 29.0571 k = 0.5000 0.0177 0.5874 ( 1082 PWs) bands (ev): -61.8452 -61.8452 -31.8765 -31.8607 -21.1749 -21.0836 -21.0561 -21.0254 1.9914 2.3404 10.7650 10.8562 11.6580 11.6798 13.1622 13.3039 15.0984 15.4652 17.1173 17.6804 18.9983 19.1494 20.9116 21.0626 22.1864 22.9268 28.9520 28.9784 k = 0.5000 0.0236 0.5790 ( 1080 PWs) bands (ev): -61.8452 -61.8452 -31.8763 -31.8606 -21.1748 -21.0839 -21.0552 -21.0244 1.9889 2.3373 10.7681 10.8613 11.6449 11.6723 13.1517 13.3021 15.1081 15.4586 17.1349 17.6894 18.9928 19.1471 20.9082 21.1039 22.1845 22.9209 28.8353 28.8795 k = 0.5000 0.0295 0.5707 ( 1076 PWs) bands (ev): -61.8452 -61.8452 -31.8760 -31.8604 -21.1747 -21.0843 -21.0538 -21.0231 1.9858 2.3332 10.7720 10.8678 11.6293 11.6622 13.1378 13.2987 15.1210 15.4524 17.1564 17.7007 18.9860 19.1439 20.9106 21.1497 22.1821 22.9133 28.7010 28.7639 k = 0.5000 0.0353 0.5624 ( 1080 PWs) bands (ev): -61.8453 -61.8453 -31.8758 -31.8602 -21.1747 -21.0849 -21.0522 -21.0217 1.9820 2.3283 10.7769 10.8756 11.6116 11.6497 13.1201 13.2928 15.1373 15.4481 17.1810 17.7140 18.9781 19.1394 20.9189 21.1993 22.1791 22.9041 28.5534 28.6341 k = 0.5000 0.0412 0.5541 ( 1082 PWs) bands (ev): -61.8454 -61.8454 -31.8755 -31.8600 -21.1746 -21.0856 -21.0503 -21.0200 1.9776 2.3224 10.7825 10.8847 11.5921 11.6352 13.0985 13.2838 15.1573 15.4472 17.2081 17.7291 18.9690 19.1336 20.9329 21.2522 22.1757 22.8932 28.3961 28.4925 k = 0.5000 0.0471 0.5457 ( 1082 PWs) bands (ev): -61.8455 -61.8455 -31.8752 -31.8597 -21.1745 -21.0864 -21.0480 -21.0182 1.9725 2.3157 10.7891 10.8950 11.5711 11.6189 13.0727 13.2707 15.1811 15.4514 17.2370 17.7459 18.9590 19.1264 20.9524 21.3078 22.1718 22.8808 28.2317 28.3411 k = 0.5000 0.0530 0.5374 ( 1082 PWs) bands (ev): -61.8455 -61.8455 -31.8748 -31.8594 -21.1743 -21.0874 -21.0454 -21.0161 1.9668 2.3082 10.7966 10.9065 11.5489 11.6011 13.0428 13.2530 15.2088 15.4619 17.2672 17.7640 18.9481 19.1177 20.9771 21.3658 22.1674 22.8668 28.0621 28.1818 k = 0.5000 0.0589 0.5291 ( 1082 PWs) bands (ev): -61.8456 -61.8456 -31.8744 -31.8590 -21.1741 -21.0884 -21.0425 -21.0138 1.9605 2.2997 10.8049 10.9192 11.5260 11.5821 13.0086 13.2301 15.2404 15.4798 17.2982 17.7833 18.9364 19.1074 21.0064 21.4254 22.1626 22.8513 27.8888 28.0163 k = 0.5000 0.0648 0.5207 ( 1080 PWs) bands (ev): -61.8457 -61.8457 -31.8739 -31.8586 -21.1739 -21.0895 -21.0393 -21.0114 1.9536 2.2904 10.8141 10.9328 11.5025 11.5623 12.9704 13.2017 15.2761 15.5060 17.3295 17.8035 18.9240 19.0957 21.0399 21.4861 22.1575 22.8344 27.7129 27.8460 k = 0.5000 0.0707 0.5124 ( 1080 PWs) bands (ev): -61.8458 -61.8458 -31.8733 -31.8582 -21.1736 -21.0907 -21.0358 -21.0088 1.9462 2.2803 10.8241 10.9474 11.4788 11.5420 12.9284 13.1675 15.3159 15.5407 17.3608 17.8245 18.9107 19.0826 21.0771 21.5474 22.1521 22.8159 27.5354 27.6721 k = 0.5000 0.0766 0.5041 ( 1082 PWs) bands (ev): -61.8459 -61.8459 -31.8728 -31.8578 -21.1735 -21.0921 -21.0321 -21.0060 1.9383 2.2694 10.8348 10.9629 11.4551 11.5213 12.8828 13.1277 15.3601 15.5837 17.3918 17.8461 18.8968 19.0681 21.1172 21.6086 22.1465 22.7961 27.3568 27.4956 k = 0.5000 0.0825 0.4957 ( 1082 PWs) bands (ev): -61.8461 -61.8461 -31.8722 -31.8573 -21.1732 -21.0934 -21.0282 -21.0032 1.9299 2.2577 10.8463 10.9792 11.4316 11.5007 12.8340 13.0826 15.4091 15.6346 17.4224 17.8681 18.8822 19.0525 21.1596 21.6692 22.1409 22.7750 27.1778 27.3174 k = 0.5000 0.0884 0.4874 ( 1084 PWs) bands (ev): -61.8462 -61.8462 -31.8716 -31.8569 -21.1729 -21.0949 -21.0240 -21.0002 1.9211 2.2453 10.8584 10.9962 11.4087 11.4802 12.7825 13.0325 15.4628 15.6928 17.4525 17.8905 18.8669 19.0358 21.2038 21.7283 22.1355 22.7526 26.9990 27.1382 k = 0.5000 0.0943 0.4791 ( 1084 PWs) bands (ev): -61.8463 -61.8463 -31.8710 -31.8564 -21.1725 -21.0964 -21.0197 -20.9971 1.9119 2.2321 10.8711 11.0138 11.3863 11.4603 12.7288 12.9781 15.5214 15.7576 17.4821 17.9131 18.8510 19.0182 21.2489 21.7852 22.1306 22.7290 26.8206 26.9587 k = 0.5000 0.1002 0.4707 ( 1084 PWs) bands (ev): -61.8465 -61.8465 -31.8703 -31.8559 -21.1721 -21.0979 -21.0152 -20.9938 1.9023 2.2182 10.8844 11.0318 11.3649 11.4409 12.6731 12.9199 15.5848 15.8282 17.5110 17.9359 18.8345 18.9998 21.2946 21.8388 22.1267 22.7042 26.6433 26.7793 k = 0.5000 0.1060 0.4624 ( 1080 PWs) bands (ev): -61.8466 -61.8466 -31.8695 -31.8553 -21.1716 -21.0994 -21.0105 -20.9904 1.8924 2.2036 10.8981 11.0501 11.3445 11.4225 12.6162 12.8586 15.6528 15.9040 17.5393 17.9588 18.8174 18.9809 21.3400 21.8878 22.1248 22.6784 26.4672 26.6007 k = 0.5000 0.1119 0.4541 ( 1080 PWs) bands (ev): -61.8467 -61.8467 -31.8688 -31.8548 -21.1712 -21.1009 -21.0058 -20.9870 1.8823 2.1884 10.9121 11.0684 11.3253 11.4050 12.5582 12.7948 15.7250 15.9843 17.5671 17.9818 18.7998 18.9614 21.3846 21.9303 22.1264 22.6517 26.2927 26.4232 k = 0.5000 0.1178 0.4457 ( 1080 PWs) bands (ev): -61.8469 -61.8468 -31.8680 -31.8543 -21.1707 -21.1025 -21.0010 -20.9835 1.8719 2.1726 10.9263 11.0865 11.3077 11.3887 12.4998 12.7292 15.8012 16.0685 17.5944 18.0048 18.7816 18.9417 21.4280 21.9638 22.1337 22.6240 26.1202 26.2472 k = 0.5000 0.1237 0.4374 ( 1078 PWs) bands (ev): -61.8470 -61.8470 -31.8672 -31.8537 -21.1702 -21.1041 -20.9960 -20.9798 1.8614 2.1563 10.9406 11.1039 11.2919 11.3738 12.4413 12.6624 15.8808 16.1561 17.6213 18.0278 18.7631 18.9217 21.4696 21.9861 22.1483 22.5956 25.9499 26.0731 k = 0.5000 0.1296 0.4291 ( 1078 PWs) bands (ev): -61.8471 -61.8471 -31.8664 -31.8532 -21.1696 -21.1058 -20.9911 -20.9762 1.8508 2.1395 10.9547 11.1200 11.2785 11.3605 12.3830 12.5949 15.9634 16.2466 17.6478 18.0508 18.7443 18.9016 21.5090 21.9977 22.1698 22.5664 25.7821 25.9013 k = 0.5000 0.1355 0.4207 ( 1078 PWs) bands (ev): -61.8473 -61.8473 -31.8656 -31.8526 -21.1691 -21.1074 -20.9861 -20.9724 1.8401 2.1222 10.9684 11.1339 11.2685 11.3489 12.3254 12.5272 16.0487 16.3396 17.6741 18.0737 18.7252 18.8816 21.5458 22.0012 22.1949 22.5366 25.6170 25.7320 k = 0.5000 0.1414 0.4124 ( 1086 PWs) bands (ev): -61.8475 -61.8475 -31.8649 -31.8522 -21.1686 -21.1092 -20.9812 -20.9688 1.8294 2.1046 10.9816 11.1441 11.2628 11.3393 12.2688 12.4598 16.1360 16.4344 17.7001 18.0965 18.7060 18.8617 21.5797 21.9998 22.2205 22.5064 25.4550 25.5657 k = 0.5000 0.1473 0.4041 ( 1086 PWs) bands (ev): -61.8477 -61.8477 -31.8640 -31.8517 -21.1680 -21.1109 -20.9762 -20.9650 1.8187 2.0866 10.9940 11.1495 11.2626 11.3320 12.2135 12.3931 16.2251 16.5308 17.7261 18.1192 18.6867 18.8420 21.6106 21.9955 22.2443 22.4757 25.2963 25.4025 k = 0.5000 0.1532 0.3958 ( 1080 PWs) bands (ev): -61.8478 -61.8478 -31.8631 -31.8511 -21.1673 -21.1125 -20.9712 -20.9611 1.8082 2.0683 11.0053 11.1499 11.2677 11.3272 12.1598 12.3275 16.3155 16.6282 17.7522 18.1419 18.6677 18.8226 21.6382 21.9895 22.2651 22.4448 25.1410 25.2428 k = 0.5000 0.1591 0.3874 ( 1080 PWs) bands (ev): -61.8479 -61.8479 -31.8622 -31.8506 -21.1667 -21.1141 -20.9663 -20.9573 1.7979 2.0498 11.0151 11.1463 11.2766 11.3256 12.1080 12.2634 16.4067 16.7261 17.7784 18.1644 18.6489 18.8037 21.6625 21.9824 22.2821 22.4137 24.9895 25.0868 k = 0.5000 0.1650 0.3791 ( 1086 PWs) bands (ev): -61.8481 -61.8481 -31.8615 -31.8502 -21.1661 -21.1159 -20.9616 -20.9536 1.7878 2.0312 11.0233 11.1403 11.2871 11.3276 12.0582 12.2010 16.4982 16.8239 17.8048 18.1868 18.6305 18.7853 21.6835 21.9745 22.2947 22.3825 24.8420 24.9349 k = 0.5000 0.1708 0.3708 ( 1086 PWs) bands (ev): -61.8483 -61.8483 -31.8606 -31.8497 -21.1655 -21.1175 -20.9569 -20.9498 1.7780 2.0125 11.0297 11.1331 11.2974 11.3338 12.0108 12.1406 16.5897 16.9213 17.8316 18.2090 18.6127 18.7675 21.7013 21.9661 22.3028 22.3515 24.6988 24.7873 k = 0.5000 0.1767 0.3624 ( 1088 PWs) bands (ev): -61.8484 -61.8484 -31.8598 -31.8493 -21.1648 -21.1192 -20.9523 -20.9462 1.7685 1.9939 11.0341 11.1254 11.3069 11.3437 11.9659 12.0826 16.6806 17.0173 17.8590 18.2310 18.5956 18.7505 21.7161 21.9572 22.3056 22.3215 24.5600 24.6442 k = 0.5000 0.1826 0.3541 ( 1088 PWs) bands (ev): -61.8486 -61.8486 -31.8589 -31.8489 -21.1641 -21.1209 -20.9478 -20.9425 1.7595 1.9752 11.0366 11.1175 11.3163 11.3560 11.9238 12.0272 16.7705 17.1115 17.8872 18.2528 18.5795 18.7343 21.7281 21.9479 22.2882 22.3073 24.4258 24.5059 k = 0.5000 0.1885 0.3458 ( 1084 PWs) bands (ev): -61.8487 -61.8487 -31.8580 -31.8485 -21.1633 -21.1224 -20.9434 -20.9389 1.7510 1.9567 11.0373 11.1098 11.3263 11.3692 11.8845 11.9746 16.8590 17.2030 17.9166 18.2743 18.5645 18.7190 21.7378 21.9381 22.2585 22.3015 24.2967 24.3726 k = 0.5000 0.1944 0.3374 ( 1084 PWs) bands (ev): -61.8488 -61.8488 -31.8572 -31.8481 -21.1626 -21.1241 -20.9392 -20.9354 1.7430 1.9384 11.0364 11.1022 11.3370 11.3825 11.8483 11.9250 16.9454 17.2908 17.9474 18.2954 18.5507 18.7048 21.7454 21.9279 22.2287 22.2920 24.1727 24.2447 k = 0.5000 0.2003 0.3291 ( 1084 PWs) bands (ev): -61.8489 -61.8489 -31.8564 -31.8478 -21.1618 -21.1257 -20.9352 -20.9320 1.7355 1.9204 11.0341 11.0947 11.3486 11.3951 11.8151 11.8786 17.0294 17.3738 17.9801 18.3161 18.5384 18.6918 21.7514 21.9171 22.1993 22.2786 24.0542 24.1224 k = 0.5000 0.2062 0.3208 ( 1084 PWs) bands (ev): -61.8491 -61.8491 -31.8556 -31.8475 -21.1610 -21.1273 -20.9314 -20.9288 1.7287 1.9027 11.0308 11.0874 11.3608 11.4068 11.7852 11.8357 17.1104 17.4509 18.0153 18.3364 18.5275 18.6800 21.7561 21.9060 22.1705 22.2616 23.9414 24.0059 k = 0.5000 0.2121 0.3124 ( 1082 PWs) bands (ev): -61.8492 -61.8492 -31.8548 -31.8472 -21.1602 -21.1289 -20.9277 -20.9256 1.7226 1.8855 11.0268 11.0801 11.3732 11.4171 11.7585 11.7964 17.1880 17.5210 18.0536 18.3560 18.5184 18.6696 21.7600 21.8946 22.1425 22.2412 23.8346 23.8954 k = 0.5000 0.2180 0.3041 ( 1082 PWs) bands (ev): -61.8493 -61.8493 -31.8541 -31.8470 -21.1594 -21.1304 -20.9243 -20.9226 1.7173 1.8687 11.0222 11.0728 11.3855 11.4259 11.7351 11.7610 17.2616 17.5829 18.0952 18.3751 18.5110 18.6607 21.7634 21.8830 22.1152 22.2179 23.7342 23.7914 k = 0.5000 0.2239 0.2958 ( 1082 PWs) bands (ev): -61.8494 -61.8494 -31.8533 -31.8468 -21.1585 -21.1320 -20.9212 -20.9199 1.7127 1.8524 11.0174 11.0655 11.3973 11.4331 11.7146 11.7298 17.3310 17.6359 18.1402 18.3933 18.5053 18.6532 21.7667 21.8717 22.0887 22.1921 23.6403 23.6939 k = 0.5000 0.2298 0.2874 ( 1084 PWs) bands (ev): -61.8495 -61.8495 -31.8527 -31.8467 -21.1576 -21.1335 -20.9183 -20.9173 1.7090 1.8367 11.0126 11.0581 11.4084 11.4386 11.6960 11.7040 17.3956 17.6799 18.1881 18.4106 18.5014 18.6472 21.7701 21.8608 22.0631 22.1643 23.5534 23.6033 k = 0.5000 0.2357 0.2791 ( 1078 PWs) bands (ev): -61.8495 -61.8495 -31.8519 -31.8465 -21.1566 -21.1349 -20.9155 -20.9148 1.7062 1.8217 11.0080 11.0508 11.4182 11.4425 11.6763 11.6864 17.4552 17.7152 18.2379 18.4268 18.4992 18.6426 21.7741 21.8509 22.0385 22.1349 23.4738 23.5199 k = 0.5000 0.2415 0.2708 ( 1078 PWs) bands (ev): -61.8496 -61.8496 -31.8513 -31.8464 -21.1557 -21.1364 -20.9131 -20.9126 1.7042 1.8075 11.0037 11.0434 11.4266 11.4448 11.6581 11.6741 17.5096 17.7425 18.2882 18.4417 18.4985 18.6392 21.7786 21.8422 22.0149 22.1045 23.4018 23.4439 k = 0.5000 0.2474 0.2624 ( 1080 PWs) bands (ev): -61.8497 -61.8497 -31.8507 -31.8464 -21.1547 -21.1379 -20.9110 -20.9107 1.7032 1.7939 11.0000 11.0361 11.4332 11.4460 11.6438 11.6646 17.5587 17.7628 18.3375 18.4549 18.4993 18.6367 21.7841 21.8351 21.9924 22.0736 23.3378 23.3757 k = 0.5000 0.2533 0.2541 ( 1076 PWs) bands (ev): -61.8497 -61.8497 -31.8501 -31.8464 -21.1537 -21.1392 -20.9091 -20.9089 1.7032 1.7812 10.9969 11.0290 11.4380 11.4462 11.6334 11.6569 17.6024 17.7768 18.3841 18.4664 18.5016 18.6347 21.7906 21.8300 21.9712 22.0428 23.2821 23.3154 k = 0.5000 0.2592 0.2458 ( 1076 PWs) bands (ev): -61.8498 -61.8498 -31.8496 -31.8465 -21.1527 -21.1406 -20.9076 -20.9074 1.7042 1.7694 10.9946 11.0222 11.4411 11.4458 11.6268 11.6506 17.6410 17.7855 18.4262 18.4760 18.5058 18.6325 21.7983 21.8272 21.9513 22.0127 23.2349 23.2633 k = 0.5000 0.2651 0.2375 ( 1076 PWs) bands (ev): -61.8498 -61.8498 -31.8491 -31.8466 -21.1516 -21.1420 -20.9063 -20.9062 1.7061 1.7584 10.9931 11.0158 11.4427 11.4451 11.6234 11.6453 17.6746 17.7893 18.4607 18.4836 18.5138 18.6296 21.8072 21.8267 21.9331 21.9839 23.1965 23.2198 k = 0.5000 0.2710 0.2291 ( 1070 PWs) bands (ev): -61.8498 -61.8498 -31.8486 -31.8467 -21.1504 -21.1432 -20.9052 -20.9051 1.7091 1.7484 10.9926 11.0100 11.4433 11.4443 11.6225 11.6406 17.7034 17.7888 18.4824 18.4894 18.5297 18.6249 21.8171 21.8286 21.9171 21.9572 23.1672 23.1849 k = 0.5000 0.2769 0.2208 ( 1068 PWs) bands (ev): -61.8498 -61.8498 -31.8481 -31.8469 -21.1493 -21.1445 -20.9044 -20.9044 1.7131 1.7394 10.9931 11.0049 11.4434 11.4437 11.6235 11.6363 17.7277 17.7843 18.4919 18.4934 18.5520 18.6177 21.8273 21.8322 21.9046 21.9332 23.1470 23.1590 k = 0.5000 0.2828 0.2125 ( 1068 PWs) bands (ev): -61.8498 -61.8498 -31.8478 -31.8471 -21.1482 -21.1457 -20.9040 -20.9040 1.7181 1.7313 10.9946 11.0006 11.4432 11.4433 11.6257 11.6324 17.7478 17.7760 18.4957 18.4958 18.5741 18.6071 21.8356 21.8364 21.8978 21.9135 23.1361 23.1421 k = 0.5000 0.2887 0.2041 ( 1068 PWs) bands (ev): -61.8498 -61.8498 -31.8474 -31.8474 -21.1470 -21.1470 -20.9039 -20.9039 1.7242 1.7242 10.9971 10.9971 11.4431 11.4431 11.6288 11.6288 17.7638 17.7638 18.4967 18.4967 18.5927 18.5927 21.8387 21.8387 21.9006 21.9006 23.1345 23.1345 k = 0.5000 0.2887 0.2041 ( 1068 PWs) bands (ev): -61.8498 -61.8498 -31.8474 -31.8474 -21.1470 -21.1470 -20.9039 -20.9039 1.7242 1.7242 10.9971 10.9971 11.4431 11.4431 11.6288 11.6288 17.7638 17.7638 18.4967 18.4967 18.5927 18.5927 21.8387 21.8387 21.9006 21.9006 23.1345 23.1345 k = 0.4971 0.2870 0.2136 ( 1068 PWs) bands (ev): -61.8498 -61.8498 -31.8477 -31.8471 -21.1481 -21.1458 -20.9040 -20.9040 1.7182 1.7312 10.9947 11.0005 11.4432 11.4433 11.6258 11.6323 17.7480 17.7758 18.4958 18.4958 18.5743 18.6070 21.8357 21.8364 21.8978 21.9133 23.1360 23.1420 k = 0.4942 0.2853 0.2231 ( 1068 PWs) bands (ev): -61.8498 -61.8498 -31.8481 -31.8469 -21.1493 -21.1445 -20.9044 -20.9044 1.7132 1.7391 10.9932 11.0048 11.4432 11.4439 11.6235 11.6362 17.7283 17.7842 18.4923 18.4933 18.5526 18.6175 21.8279 21.8319 21.9044 21.9326 23.1466 23.1584 k = 0.4913 0.2836 0.2326 ( 1072 PWs) bands (ev): -61.8498 -61.8498 -31.8486 -31.8467 -21.1504 -21.1433 -20.9052 -20.9052 1.7092 1.7480 10.9926 11.0098 11.4427 11.4450 11.6225 11.6404 17.7044 17.7887 18.4836 18.4889 18.5305 18.6247 21.8187 21.8273 21.9169 21.9560 23.1662 23.1837 k = 0.4884 0.2820 0.2421 ( 1076 PWs) bands (ev): -61.8498 -61.8498 -31.8490 -31.8466 -21.1515 -21.1420 -20.9062 -20.9061 1.7063 1.7579 10.9931 11.0155 11.4412 11.4467 11.6232 11.6450 17.6762 17.7893 18.4632 18.4825 18.5148 18.6294 21.8102 21.8237 21.9331 21.9821 23.1947 23.2177 k = 0.4855 0.2803 0.2516 ( 1076 PWs) bands (ev): -61.8498 -61.8498 -31.8495 -31.8465 -21.1526 -21.1407 -20.9074 -20.9073 1.7043 1.7686 10.9945 11.0216 11.4384 11.4491 11.6261 11.6502 17.6434 17.7858 18.4302 18.4741 18.5073 18.6324 21.8033 21.8215 21.9519 22.0101 23.2321 23.2602 k = 0.4826 0.2786 0.2611 ( 1078 PWs) bands (ev): -61.8497 -61.8497 -31.8501 -31.8464 -21.1536 -21.1394 -20.9090 -20.9088 1.7032 1.7803 10.9967 11.0280 11.4339 11.4522 11.6317 11.6562 17.6057 17.7774 18.3896 18.4637 18.5037 18.6345 21.7980 21.8207 21.9726 22.0394 23.2780 23.3110 k = 0.4797 0.2769 0.2706 ( 1078 PWs) bands (ev): -61.8497 -61.8497 -31.8506 -31.8464 -21.1546 -21.1380 -20.9108 -20.9105 1.7032 1.7927 10.9997 11.0344 11.4277 11.4558 11.6403 11.6633 17.5630 17.7638 18.3449 18.4513 18.5020 18.6363 21.7944 21.8214 21.9949 22.0695 23.3323 23.3698 k = 0.4767 0.2752 0.2801 ( 1078 PWs) bands (ev): -61.8496 -61.8496 -31.8512 -31.8464 -21.1556 -21.1366 -20.9129 -20.9124 1.7041 1.8060 11.0032 11.0405 11.4198 11.4603 11.6520 11.6719 17.5151 17.7439 18.2978 18.4370 18.5018 18.6386 21.7921 21.8236 22.0185 22.0998 23.3947 23.4365 k = 0.4738 0.2736 0.2896 ( 1078 PWs) bands (ev): -61.8495 -61.8495 -31.8519 -31.8465 -21.1565 -21.1351 -20.9152 -20.9146 1.7059 1.8200 11.0071 11.0460 11.4108 11.4655 11.6667 11.6821 17.4621 17.7168 18.2502 18.4211 18.5030 18.6416 21.7908 21.8270 22.0430 22.1300 23.4648 23.5106 k = 0.4709 0.2719 0.2991 ( 1082 PWs) bands (ev): -61.8495 -61.8495 -31.8526 -31.8466 -21.1575 -21.1337 -20.9178 -20.9170 1.7086 1.8347 11.0109 11.0503 11.4010 11.4719 11.6842 11.6942 17.4039 17.6817 18.2034 18.4040 18.5058 18.6456 21.7902 21.8315 22.0681 22.1596 23.5425 23.5921 k = 0.4680 0.2702 0.3086 ( 1082 PWs) bands (ev): -61.8494 -61.8494 -31.8532 -31.8468 -21.1584 -21.1322 -20.9207 -20.9196 1.7122 1.8501 11.0143 11.0532 11.3913 11.4799 11.7044 11.7085 17.3407 17.6377 18.1590 18.3859 18.5103 18.6509 21.7898 21.8370 22.0937 22.1883 23.6272 23.6806 k = 0.4651 0.2685 0.3181 ( 1084 PWs) bands (ev): -61.8493 -61.8493 -31.8540 -31.8470 -21.1592 -21.1307 -20.9237 -20.9224 1.7166 1.8660 11.0168 11.0540 11.3825 11.4897 11.7249 11.7271 17.2729 17.5847 18.1176 18.3671 18.5165 18.6575 21.7892 21.8432 22.1194 22.2156 23.7188 23.7758 k = 0.4622 0.2669 0.3275 ( 1082 PWs) bands (ev): -61.8492 -61.8492 -31.8547 -31.8472 -21.1601 -21.1291 -20.9270 -20.9252 1.7217 1.8824 11.0175 11.0524 11.3756 11.5019 11.7435 11.7521 17.2007 17.5227 18.0799 18.3479 18.5245 18.6654 21.7882 21.8499 22.1448 22.2413 23.8170 23.8776 k = 0.4593 0.2652 0.3370 ( 1082 PWs) bands (ev): -61.8491 -61.8491 -31.8555 -31.8474 -21.1609 -21.1276 -20.9305 -20.9283 1.7276 1.8993 11.0159 11.0482 11.3715 11.5169 11.7643 11.7792 17.1244 17.4527 18.0456 18.3284 18.5344 18.6746 21.7863 21.8568 22.1698 22.2650 23.9213 23.9856 k = 0.4564 0.2635 0.3465 ( 1084 PWs) bands (ev): -61.8490 -61.8490 -31.8563 -31.8477 -21.1617 -21.1260 -20.9342 -20.9315 1.7342 1.9166 11.0113 11.0410 11.3710 11.5350 11.7872 11.8082 17.0445 17.3755 18.0143 18.3089 18.5462 18.6850 21.7831 21.8638 22.1939 22.2863 24.0317 24.0996 k = 0.4535 0.2618 0.3560 ( 1084 PWs) bands (ev): -61.8488 -61.8488 -31.8570 -31.8480 -21.1625 -21.1244 -20.9381 -20.9349 1.7415 1.9342 11.0033 11.0309 11.3749 11.5565 11.8121 11.8391 16.9615 17.2925 17.9856 18.2896 18.5597 18.6966 21.7785 21.8707 22.2171 22.3050 24.1477 24.2193 k = 0.4506 0.2601 0.3655 ( 1084 PWs) bands (ev): -61.8487 -61.8487 -31.8579 -31.8484 -21.1632 -21.1229 -20.9421 -20.9383 1.7493 1.9521 10.9915 11.0179 11.3835 11.5814 11.8389 11.8716 16.8757 17.2047 17.9591 18.2706 18.5748 18.7092 21.7721 21.8771 22.2389 22.3209 24.2692 24.3445 k = 0.4477 0.2585 0.3750 ( 1084 PWs) bands (ev): -61.8486 -61.8486 -31.8587 -31.8488 -21.1640 -21.1213 -20.9463 -20.9418 1.7577 1.9701 10.9761 11.0021 11.3969 11.6098 11.8675 11.9057 16.7876 17.1131 17.9343 18.2521 18.5915 18.7227 21.7637 21.8829 22.2592 22.3338 24.3959 24.4750 k = 0.4448 0.2568 0.3845 ( 1084 PWs) bands (ev): -61.8484 -61.8484 -31.8595 -31.8492 -21.1648 -21.1197 -20.9506 -20.9453 1.7665 1.9883 10.9575 10.9839 11.4149 11.6415 11.8977 11.9412 16.6975 17.0187 17.9109 18.2342 18.6095 18.7368 21.7530 21.8879 22.2777 22.3433 24.5276 24.6104 k = 0.4419 0.2551 0.3940 ( 1084 PWs) bands (ev): -61.8483 -61.8483 -31.8603 -31.8496 -21.1655 -21.1181 -20.9550 -20.9489 1.7758 2.0064 10.9360 10.9635 11.4373 11.6764 11.9294 11.9780 16.6061 16.9222 17.8890 18.2170 18.6288 18.7516 21.7400 21.8918 22.2942 22.3495 24.6641 24.7506 k = 0.4390 0.2534 0.4035 ( 1082 PWs) bands (ev): -61.8481 -61.8481 -31.8611 -31.8501 -21.1662 -21.1165 -20.9595 -20.9525 1.7855 2.0246 10.9122 10.9411 11.4636 11.7145 11.9624 12.0160 16.5135 16.8243 17.8683 18.2007 18.6491 18.7667 21.7245 21.8944 22.3085 22.3523 24.8051 24.8953 k = 0.4360 0.2518 0.4130 ( 1082 PWs) bands (ev): -61.8480 -61.8480 -31.8620 -31.8505 -21.1670 -21.1149 -20.9641 -20.9562 1.7954 2.0425 10.8864 10.9170 11.4936 11.7555 11.9967 12.0551 16.4203 16.7256 17.8489 18.1854 18.6702 18.7820 21.7065 21.8956 22.3205 22.3515 24.9504 25.0442 k = 0.4331 0.2501 0.4225 ( 1081 PWs) bands (ev): -61.8478 -61.8478 -31.8628 -31.8510 -21.1677 -21.1133 -20.9687 -20.9598 1.8057 2.0603 10.8591 10.8915 11.5268 11.7992 12.0321 12.0951 16.3268 16.6266 17.8308 18.1713 18.6920 18.7971 21.6858 21.8951 22.3300 22.3473 25.0998 25.1970 k = 0.4302 0.2484 0.4320 ( 1081 PWs) bands (ev): -61.8477 -61.8477 -31.8636 -31.8515 -21.1684 -21.1118 -20.9734 -20.9634 1.8161 2.0778 10.8306 10.8647 11.5631 11.8456 12.0684 12.1358 16.2334 16.5278 17.8142 18.1585 18.7141 18.8120 21.6625 21.8929 22.3369 22.3396 25.2530 25.3536 k = 0.4273 0.2467 0.4415 ( 1083 PWs) bands (ev): -61.8475 -61.8475 -31.8644 -31.8521 -21.1692 -21.1103 -20.9781 -20.9669 1.8266 2.0950 10.8012 10.8369 11.6020 11.8943 12.1057 12.1773 16.1404 16.4296 17.7990 18.1471 18.7364 18.8263 21.6368 21.8886 22.3285 22.3410 25.4099 25.5137 k = 0.4244 0.2450 0.4510 ( 1083 PWs) bands (ev): -61.8474 -61.8474 -31.8652 -31.8526 -21.1700 -21.1089 -20.9827 -20.9704 1.8373 2.1117 10.7711 10.8083 11.6434 11.9452 12.1437 12.2192 16.0483 16.3325 17.7856 18.1373 18.7586 18.8398 21.6086 21.8824 22.3143 22.3423 25.5701 25.6769 k = 0.4215 0.2434 0.4605 ( 1083 PWs) bands (ev): -61.8472 -61.8472 -31.8660 -31.8531 -21.1707 -21.1075 -20.9873 -20.9738 1.8479 2.1280 10.7405 10.7790 11.6870 11.9979 12.1824 12.2615 15.9574 16.2368 17.7738 18.1291 18.7804 18.8523 21.5783 21.8739 22.2971 22.3407 25.7335 25.8430 k = 0.4186 0.2417 0.4700 ( 1083 PWs) bands (ev): -61.8471 -61.8471 -31.8667 -31.8537 -21.1714 -21.1062 -20.9918 -20.9771 1.8586 2.1437 10.7095 10.7492 11.7326 12.0521 12.2219 12.3041 15.8680 16.1430 17.7640 18.1229 18.8016 18.8635 21.5459 21.8632 22.2772 22.3362 25.8997 26.0117 k = 0.4157 0.2400 0.4795 ( 1083 PWs) bands (ev): -61.8470 -61.8470 -31.8675 -31.8542 -21.1722 -21.1050 -20.9962 -20.9802 1.8691 2.1588 10.6783 10.7190 11.7799 12.1075 12.2620 12.3467 15.7807 16.0515 17.7562 18.1185 18.8219 18.8731 21.5119 21.8501 22.2549 22.3287 26.0685 26.1828 k = 0.4128 0.2383 0.4889 ( 1085 PWs) bands (ev): -61.8468 -61.8468 -31.8682 -31.8547 -21.1730 -21.1040 -21.0004 -20.9832 1.8796 2.1732 10.6471 10.6885 11.8286 12.1634 12.3030 12.3893 15.6956 15.9627 17.7505 18.1162 18.8410 18.8808 21.4764 21.8345 22.2305 22.3182 26.2397 26.3559 k = 0.4099 0.2366 0.4984 ( 1087 PWs) bands (ev): -61.8467 -61.8467 -31.8689 -31.8553 -21.1738 -21.1031 -21.0044 -20.9861 1.8898 2.1869 10.6158 10.6578 11.8785 12.2190 12.3452 12.4316 15.6134 15.8768 17.7470 18.1160 18.8585 18.8864 21.4400 21.8165 22.2045 22.3047 26.4128 26.5306 k = 0.4070 0.2350 0.5079 ( 1085 PWs) bands (ev): -61.8466 -61.8466 -31.8695 -31.8558 -21.1745 -21.1023 -21.0082 -20.9888 1.8998 2.1998 10.5846 10.6270 11.9293 12.2734 12.3891 12.4736 15.5344 15.7945 17.7459 18.1181 18.8742 18.8896 21.4030 21.7961 22.1773 22.2883 26.5877 26.7068 k = 0.4041 0.2333 0.5174 ( 1087 PWs) bands (ev): -61.8465 -61.8465 -31.8701 -31.8563 -21.1753 -21.1018 -21.0117 -20.9913 1.9095 2.2118 10.5535 10.5961 11.9805 12.3254 12.4354 12.5150 15.4591 15.7161 17.7473 18.1225 18.8876 18.8901 21.3658 21.7731 22.1493 22.2691 26.7641 26.8841 k = 0.4012 0.2316 0.5269 ( 1091 PWs) bands (ev): -61.8464 -61.8464 -31.8708 -31.8569 -21.1762 -21.1015 -21.0149 -20.9937 1.9189 2.2230 10.5226 10.5653 12.0317 12.3738 12.4844 12.5557 15.3881 15.6420 17.7512 18.1292 18.8878 18.8985 21.3290 21.7477 22.1211 22.2470 26.9415 27.0621 k = 0.3983 0.2299 0.5364 ( 1091 PWs) bands (ev): -61.8463 -61.8463 -31.8713 -31.8574 -21.1769 -21.1014 -21.0177 -20.9958 1.9279 2.2332 10.4919 10.5345 12.0826 12.4181 12.5361 12.5956 15.3219 15.5728 17.7578 18.1383 18.8825 18.9067 21.2931 21.7198 22.0932 22.2224 27.1196 27.2404 k = 0.3953 0.2283 0.5459 ( 1085 PWs) bands (ev): -61.8461 -61.8461 -31.8717 -31.8578 -21.1776 -21.1015 -21.0200 -20.9976 1.9364 2.2426 10.4614 10.5039 12.1328 12.4585 12.5897 12.6344 15.2611 15.5088 17.7671 18.1498 18.8741 18.9118 21.2586 21.6896 22.0661 22.1953 27.2982 27.4186 k = 0.3924 0.2266 0.5554 ( 1085 PWs) bands (ev): -61.8460 -61.8460 -31.8722 -31.8582 -21.1782 -21.1019 -21.0219 -20.9993 1.9446 2.2508 10.4312 10.4734 12.1817 12.4954 12.6437 12.6720 15.2064 15.4506 17.7790 18.1637 18.8625 18.9135 21.2260 21.6570 22.0403 22.1659 27.4767 27.5964 k = 0.3895 0.2249 0.5649 ( 1082 PWs) bands (ev): -61.8459 -61.8459 -31.8725 -31.8586 -21.1788 -21.1026 -21.0235 -21.0008 1.9522 2.2581 10.4013 10.4431 12.2288 12.5292 12.6970 12.7081 15.1585 15.3987 17.7937 18.1798 18.8477 18.9118 21.1958 21.6223 22.0162 22.1345 27.6547 27.7730 k = 0.3866 0.2232 0.5744 ( 1083 PWs) bands (ev): -61.8458 -61.8458 -31.8729 -31.8590 -21.1794 -21.1035 -21.0246 -21.0021 1.9593 2.2643 10.3717 10.4130 12.2737 12.5604 12.7425 12.7482 15.1181 15.3535 17.8111 18.1981 18.8298 18.9066 21.1683 21.5855 21.9942 22.1011 27.8318 27.9477 k = 0.3837 0.2215 0.5839 ( 1083 PWs) bands (ev): -61.8457 -61.8457 -31.8732 -31.8593 -21.1800 -21.1047 -21.0253 -21.0032 1.9659 2.2695 10.3423 10.3831 12.3160 12.5890 12.7750 12.7963 15.0857 15.3154 17.8311 18.2183 18.8091 18.8978 21.1439 21.5468 21.9747 22.0662 28.0071 28.1193 k = 0.3808 0.2199 0.5934 ( 1081 PWs) bands (ev): -61.8456 -61.8456 -31.8734 -31.8596 -21.1804 -21.1061 -21.0255 -21.0040 1.9718 2.2735 10.3133 10.3534 12.3551 12.6152 12.8053 12.8404 15.0622 15.2849 17.8536 18.2401 18.7861 18.8857 21.1228 21.5067 21.9579 22.0301 28.1798 28.2852 k = 0.3779 0.2182 0.6029 ( 1077 PWs) bands (ev): -61.8455 -61.8455 -31.8735 -31.8599 -21.1807 -21.1075 -21.0254 -21.0046 1.9771 2.2764 10.2845 10.3240 12.3908 12.6388 12.8332 12.8796 15.0479 15.2624 17.8786 18.2630 18.7614 18.8705 21.1054 21.4652 21.9442 21.9931 28.3470 28.4366 k = 0.3750 0.2165 0.6124 ( 1069 PWs) bands (ev): -61.8454 -61.8454 -31.8735 -31.8601 -21.1808 -21.1090 -21.0249 -21.0050 1.9818 2.2782 10.2561 10.2949 12.4227 12.6599 12.8584 12.9133 15.0433 15.2478 17.9059 18.2863 18.7361 18.8528 21.0914 21.4228 21.9336 21.9557 28.4845 28.5347 k = 0.6250-0.0722 0.4082 ( 1069 PWs) bands (ev): -61.8454 -61.8454 -31.8735 -31.8601 -21.1808 -21.1090 -21.0249 -21.0050 1.9818 2.2782 10.2561 10.2949 12.4227 12.6599 12.8584 12.9133 15.0433 15.2478 17.9059 18.2863 18.7361 18.8528 21.0914 21.4228 21.9336 21.9557 28.4845 28.5347 k = 0.6200-0.0808 0.4082 ( 1077 PWs) bands (ev): -61.8454 -61.8454 -31.8738 -31.8605 -21.1813 -21.1121 -21.0239 -21.0056 1.9891 2.2798 10.2074 10.2450 12.4729 12.6934 12.8986 12.9640 15.0480 15.2330 17.9541 18.3220 18.6975 18.8220 21.0682 21.3495 21.8914 21.9154 28.5986 28.6091 k = 0.6150-0.0895 0.4082 ( 1077 PWs) bands (ev): -61.8454 -61.8454 -31.8738 -31.8609 -21.1815 -21.1151 -21.0226 -21.0059 1.9962 2.2805 10.1591 10.1954 12.5208 12.7259 12.9377 13.0102 15.0608 15.2246 18.0016 18.3468 18.6720 18.7947 21.0408 21.2770 21.8278 21.8918 28.6486 28.6546 k = 0.6100-0.0981 0.4082 ( 1089 PWs) bands (ev): -61.8455 -61.8455 -31.8740 -31.8614 -21.1819 -21.1183 -21.0213 -21.0063 2.0031 2.2804 10.1112 10.1463 12.5663 12.7572 12.9756 13.0520 15.0809 15.2219 18.0480 18.3565 18.6643 18.7717 21.0091 21.2053 21.7645 21.8625 28.6838 28.6895 k = 0.6050-0.1068 0.4082 ( 1089 PWs) bands (ev): -61.8454 -61.8454 -31.8740 -31.8618 -21.1820 -21.1215 -21.0197 -21.0063 2.0098 2.2795 10.0641 10.0979 12.6097 12.7873 13.0120 13.0898 15.1074 15.2243 18.0933 18.3504 18.6755 18.7537 20.9734 21.1348 21.7015 21.8277 28.7109 28.7246 k = 0.6000-0.1155 0.4082 ( 1091 PWs) bands (ev): -61.8454 -61.8454 -31.8740 -31.8621 -21.1822 -21.1246 -21.0181 -21.0062 2.0165 2.2778 10.0178 10.0503 12.6508 12.8161 13.0471 13.1240 15.1391 15.2313 18.1372 18.3332 18.7015 18.7412 20.9337 21.0655 21.6387 21.7871 28.7356 28.7551 k = 0.5950-0.1241 0.4082 ( 1091 PWs) bands (ev): -61.8454 -61.8454 -31.8740 -31.8625 -21.1823 -21.1277 -21.0164 -21.0060 2.0230 2.2755 9.9725 10.0037 12.6898 12.8435 13.0806 13.1550 15.1748 15.2420 18.1798 18.3109 18.7345 18.7366 20.8904 20.9975 21.5757 21.7410 28.7579 28.7820 k = 0.5900-0.1328 0.4082 ( 1091 PWs) bands (ev): -61.8454 -61.8454 -31.8739 -31.8628 -21.1823 -21.1308 -21.0147 -21.0057 2.0294 2.2724 9.9285 9.9584 12.7268 12.8693 13.1126 13.1832 15.2133 15.2557 18.2210 18.2883 18.7340 18.7766 20.8439 20.9311 21.5125 21.6895 28.7774 28.8054 k = 0.5850-0.1415 0.4082 ( 1091 PWs) bands (ev): -61.8453 -61.8453 -31.8737 -31.8632 -21.1823 -21.1338 -21.0129 -21.0052 2.0358 2.2687 9.8860 9.9145 12.7619 12.8937 13.1430 13.2092 15.2533 15.2717 18.2611 18.2683 18.7396 18.8190 20.7946 20.8665 21.4490 21.6328 28.7940 28.8257 k = 0.5800-0.1501 0.4082 ( 1087 PWs) bands (ev): -61.8453 -61.8453 -31.8735 -31.8634 -21.1822 -21.1368 -21.0112 -21.0046 2.0422 2.2645 9.8450 9.8721 12.7950 12.9164 13.1721 13.2333 15.2892 15.2935 18.2528 18.3004 18.7510 18.8622 20.7430 20.8039 21.3849 21.5712 28.8077 28.8427 k = 0.5750-0.1588 0.4082 ( 1087 PWs) bands (ev): -61.8453 -61.8453 -31.8734 -31.8638 -21.1821 -21.1397 -21.0095 -21.0040 2.0485 2.2597 9.8057 9.8315 12.8263 12.9375 13.1996 13.2558 15.3078 15.3327 18.2430 18.3394 18.7678 18.9052 20.6896 20.7437 21.3204 21.5049 28.8184 28.8565 k = 0.5700-0.1674 0.4082 ( 1086 PWs) bands (ev): -61.8452 -61.8452 -31.8731 -31.8641 -21.1820 -21.1426 -21.0078 -21.0033 2.0549 2.2544 9.7684 9.7927 12.8557 12.9571 13.2257 13.2770 15.3267 15.3700 18.2400 18.3786 18.7892 18.9471 20.6349 20.6861 21.2554 21.4343 28.8261 28.8671 k = 0.5650-0.1761 0.4082 ( 1086 PWs) bands (ev): -61.8452 -61.8452 -31.8729 -31.8644 -21.1818 -21.1453 -21.0062 -21.0026 2.0613 2.2487 9.7330 9.7558 12.8833 12.9750 13.2504 13.2968 15.3456 15.4045 18.2441 18.4185 18.8142 18.9873 20.5797 20.6316 21.1901 21.3599 28.8310 28.8744 k = 0.5600-0.1848 0.4082 ( 1078 PWs) bands (ev): -61.8451 -61.8451 -31.8726 -31.8647 -21.1814 -21.1480 -21.0046 -21.0017 2.0678 2.2426 9.6999 9.7212 12.9091 12.9914 13.2737 13.3156 15.3640 15.4355 18.2558 18.4597 18.8419 19.0253 20.5247 20.5807 21.1248 21.2823 28.8335 28.8785 k = 0.5550-0.1934 0.4082 ( 1078 PWs) bands (ev): -61.8451 -61.8451 -31.8723 -31.8650 -21.1811 -21.1506 -21.0032 -21.0009 2.0743 2.2361 9.6691 9.6887 12.9330 13.0063 13.2955 13.3331 15.3817 15.4624 18.2751 18.5022 18.8711 19.0603 20.4707 20.5337 21.0596 21.2018 28.8339 28.8797 k = 0.5500-0.2021 0.4082 ( 1078 PWs) bands (ev): -61.8451 -61.8451 -31.8720 -31.8653 -21.1807 -21.1531 -21.0018 -21.0001 2.0810 2.2293 9.6406 9.6587 12.9551 13.0197 13.3159 13.3495 15.3985 15.4851 18.3018 18.5461 18.9008 19.0917 20.4186 20.4914 20.9948 21.1192 28.8328 28.8783 k = 0.5450-0.2107 0.4082 ( 1078 PWs) bands (ev): -61.8451 -61.8451 -31.8718 -31.8656 -21.1803 -21.1555 -21.0006 -20.9994 2.0877 2.2223 9.6147 9.6311 12.9754 13.0317 13.3347 13.3645 15.4143 15.5034 18.3354 18.5911 18.9296 19.1188 20.3698 20.4544 20.9309 21.0351 28.8307 28.8748 k = 0.5400-0.2194 0.4082 ( 1090 PWs) bands (ev): -61.8453 -61.8453 -31.8716 -31.8661 -21.1799 -21.1580 -20.9996 -20.9988 2.0945 2.2150 9.5913 9.6060 12.9938 13.0423 13.3520 13.3782 15.4291 15.5173 18.3752 18.6363 18.9565 19.1410 20.3257 20.4232 20.8683 20.9502 28.8279 28.8696 k = 0.5350-0.2281 0.4082 ( 1090 PWs) bands (ev): -61.8453 -61.8453 -31.8713 -31.8664 -21.1793 -21.1602 -20.9986 -20.9981 2.1014 2.2075 9.5706 9.5836 13.0103 13.0514 13.3677 13.3904 15.4429 15.5273 18.4206 18.6811 18.9805 19.1575 20.2881 20.3986 20.8073 20.8656 28.8250 28.8634 k = 0.5300-0.2367 0.4082 ( 1090 PWs) bands (ev): -61.8452 -61.8452 -31.8709 -31.8668 -21.1786 -21.1623 -20.9978 -20.9974 2.1085 2.1999 9.5527 9.5639 13.0249 13.0592 13.3816 13.4011 15.4558 15.5335 18.4704 18.7238 19.0006 19.1678 20.2588 20.3809 20.7486 20.7822 28.8224 28.8566 k = 0.5250-0.2454 0.4082 ( 1098 PWs) bands (ev): -61.8453 -61.8453 -31.8707 -31.8672 -21.1779 -21.1643 -20.9972 -20.9970 2.1157 2.1922 9.5376 9.5470 13.0377 13.0654 13.3939 13.4100 15.4679 15.5365 18.5232 18.7620 19.0168 19.1715 20.2395 20.3704 20.6926 20.7013 28.8203 28.8497 k = 0.5200-0.2540 0.4082 ( 1098 PWs) bands (ev): -61.8453 -61.8453 -31.8703 -31.8675 -21.1770 -21.1662 -20.9966 -20.9965 2.1230 2.1844 9.5254 9.5329 13.0485 13.0702 13.4043 13.4172 15.4792 15.5366 18.5777 18.7926 19.0303 19.1687 20.2319 20.3664 20.6248 20.6400 28.8189 28.8429 k = 0.5150-0.2627 0.4082 ( 1102 PWs) bands (ev): -61.8454 -61.8454 -31.8700 -31.8679 -21.1761 -21.1679 -20.9962 -20.9962 2.1304 2.1766 9.5160 9.5217 13.0575 13.0734 13.4128 13.4225 15.4897 15.5343 18.6319 18.8112 19.0437 19.1595 20.2369 20.3672 20.5558 20.5914 28.8183 28.8367 k = 0.5100-0.2714 0.4082 ( 1102 PWs) bands (ev): -61.8454 -61.8454 -31.8697 -31.8683 -21.1750 -21.1696 -20.9959 -20.9959 2.1379 2.1688 9.5096 9.5134 13.0646 13.0751 13.4194 13.4258 15.4996 15.5300 18.6839 18.8140 19.0602 19.1447 20.2543 20.3666 20.5015 20.5479 28.8188 28.8312 k = 0.5050-0.2800 0.4082 ( 1102 PWs) bands (ev): -61.8454 -61.8454 -31.8693 -31.8686 -21.1738 -21.1711 -20.9957 -20.9957 2.1455 2.1610 9.5061 9.5080 13.0699 13.0751 13.4240 13.4272 15.5087 15.5241 18.7314 18.8000 19.0805 19.1253 20.2826 20.3512 20.4764 20.5111 28.8203 28.8266 k = 0.5000-0.2887 0.4082 ( 1106 PWs) bands (ev): -61.8454 -61.8454 -31.8690 -31.8690 -21.1726 -21.1726 -20.9957 -20.9957 2.1532 2.1532 9.5056 9.5056 13.0733 13.0733 13.4266 13.4266 15.5169 15.5169 18.7711 18.7711 19.1031 19.1031 20.3181 20.3181 20.4843 20.4843 28.8229 28.8229 Writing output data file ReN.save init_run : 2.67s CPU 12.68s WALL ( 1 calls) electrons : 126.71s CPU 130.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.13s CPU 1.34s WALL ( 1 calls) Called by electrons: c_bands : 126.63s CPU 130.41s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.81s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.44s WALL ( 1 calls) newd : 0.32s CPU 0.40s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 457 calls) cegterg : 91.90s CPU 92.71s WALL ( 457 calls) Called by sum_band: Called by *egterg: h_psi : 46.82s CPU 50.33s WALL ( 6952 calls) s_psi : 2.51s CPU 3.21s WALL ( 6952 calls) g_psi : 0.03s CPU 0.09s WALL ( 6038 calls) cdiaghg : 31.49s CPU 30.49s WALL ( 6495 calls) cegterg:over : 8.79s CPU 7.48s WALL ( 6038 calls) cegterg:upda : 0.21s CPU 0.86s WALL ( 6038 calls) cegterg:last : 0.30s CPU 0.71s WALL ( 1371 calls) Called by h_psi: h_psi:vloc : 40.55s CPU 43.71s WALL ( 6952 calls) h_psi:vnl : 6.26s CPU 6.46s WALL ( 6952 calls) add_vuspsi : 0.71s CPU 2.06s WALL ( 6952 calls) General routines calbec : 5.53s CPU 4.32s WALL ( 6952 calls) fft : 0.10s CPU 1.14s WALL ( 19 calls) ffts : 0.00s CPU 0.06s WALL ( 4 calls) fftw : 39.11s CPU 41.76s WALL ( 496092 calls) interpolate : 0.03s CPU 0.09s WALL ( 4 calls) davcio : 0.02s CPU 2.17s WALL ( 914 calls) Parallel routines fft_scatter : 27.48s CPU 29.32s WALL ( 496115 calls) PWSCF : 2m38.77s CPU 4m11.27s WALL This run was terminated on: 15: 4:47 26Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=