Program PWSCF v.5.1.1 starts on 26Aug2015 at 7:47:41 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: ./ZnO.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 17 10 3 338 142 24 Max 18 11 4 343 158 27 Sum 847 499 151 16361 7239 1243 bravais-lattice index = 14 lattice parameter (alat) = 6.1681 a.u. unit-cell volume = 165.9334 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.168075 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 O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 PseudoPot. # 2 for Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Zn 12.00 65.40900 Zn( 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= 454 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 2) = ( 0.0072464 -0.0041837 0.0059166), wk = 0.0022026 k( 3) = ( 0.0144928 -0.0083674 0.0118333), wk = 0.0022026 k( 4) = ( 0.0217391 -0.0125511 0.0177499), wk = 0.0022026 k( 5) = ( 0.0289855 -0.0167348 0.0236666), wk = 0.0022026 k( 6) = ( 0.0362319 -0.0209185 0.0295832), wk = 0.0022026 k( 7) = ( 0.0434783 -0.0251022 0.0354999), wk = 0.0022026 k( 8) = ( 0.0507246 -0.0292859 0.0414165), wk = 0.0022026 k( 9) = ( 0.0579710 -0.0334696 0.0473331), wk = 0.0022026 k( 10) = ( 0.0652174 -0.0376533 0.0532498), wk = 0.0022026 k( 11) = ( 0.0724638 -0.0418370 0.0591664), wk = 0.0022026 k( 12) = ( 0.0797101 -0.0460207 0.0650831), wk = 0.0022026 k( 13) = ( 0.0869565 -0.0502044 0.0709997), wk = 0.0022026 k( 14) = ( 0.0942029 -0.0543881 0.0769163), wk = 0.0022026 k( 15) = ( 0.1014493 -0.0585718 0.0828330), wk = 0.0022026 k( 16) = ( 0.1086957 -0.0627555 0.0887496), wk = 0.0022026 k( 17) = ( 0.1159420 -0.0669392 0.0946663), wk = 0.0022026 k( 18) = ( 0.1231884 -0.0711229 0.1005829), wk = 0.0022026 k( 19) = ( 0.1304348 -0.0753066 0.1064996), wk = 0.0022026 k( 20) = ( 0.1376812 -0.0794903 0.1124162), wk = 0.0022026 k( 21) = ( 0.1449275 -0.0836740 0.1183328), wk = 0.0022026 k( 22) = ( 0.1521739 -0.0878576 0.1242495), wk = 0.0022026 k( 23) = ( 0.1594203 -0.0920413 0.1301661), wk = 0.0022026 k( 24) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0022026 k( 25) = ( 0.1739130 -0.1004087 0.1419994), wk = 0.0022026 k( 26) = ( 0.1811594 -0.1045924 0.1479160), wk = 0.0022026 k( 27) = ( 0.1884058 -0.1087761 0.1538327), wk = 0.0022026 k( 28) = ( 0.1956522 -0.1129598 0.1597493), wk = 0.0022026 k( 29) = ( 0.2028986 -0.1171435 0.1656660), wk = 0.0022026 k( 30) = ( 0.2101449 -0.1213272 0.1715826), wk = 0.0022026 k( 31) = ( 0.2173913 -0.1255109 0.1774993), wk = 0.0022026 k( 32) = ( 0.2246377 -0.1296946 0.1834159), wk = 0.0022026 k( 33) = ( 0.2318841 -0.1338783 0.1893325), wk = 0.0022026 k( 34) = ( 0.2391304 -0.1380620 0.1952492), wk = 0.0022026 k( 35) = ( 0.2463768 -0.1422457 0.2011658), wk = 0.0022026 k( 36) = ( 0.2536232 -0.1464294 0.2070825), wk = 0.0022026 k( 37) = ( 0.2608696 -0.1506131 0.2129991), wk = 0.0022026 k( 38) = ( 0.2681159 -0.1547968 0.2189157), wk = 0.0022026 k( 39) = ( 0.2753623 -0.1589805 0.2248324), wk = 0.0022026 k( 40) = ( 0.2826087 -0.1631642 0.2307490), wk = 0.0022026 k( 41) = ( 0.2898551 -0.1673479 0.2366657), wk = 0.0022026 k( 42) = ( 0.2971014 -0.1715316 0.2425823), wk = 0.0022026 k( 43) = ( 0.3043478 -0.1757153 0.2484990), wk = 0.0022026 k( 44) = ( 0.3115942 -0.1798990 0.2544156), wk = 0.0022026 k( 45) = ( 0.3188406 -0.1840827 0.2603322), wk = 0.0022026 k( 46) = ( 0.3260870 -0.1882664 0.2662489), wk = 0.0022026 k( 47) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0022026 k( 48) = ( 0.3405797 -0.1966338 0.2780822), wk = 0.0022026 k( 49) = ( 0.3478261 -0.2008175 0.2839988), wk = 0.0022026 k( 50) = ( 0.3550725 -0.2050012 0.2899154), wk = 0.0022026 k( 51) = ( 0.3623188 -0.2091849 0.2958321), wk = 0.0022026 k( 52) = ( 0.3695652 -0.2133686 0.3017487), wk = 0.0022026 k( 53) = ( 0.3768116 -0.2175523 0.3076654), wk = 0.0022026 k( 54) = ( 0.3840580 -0.2217360 0.3135820), wk = 0.0022026 k( 55) = ( 0.3913044 -0.2259197 0.3194987), wk = 0.0022026 k( 56) = ( 0.3985507 -0.2301034 0.3254153), wk = 0.0022026 k( 57) = ( 0.4057971 -0.2342871 0.3313319), wk = 0.0022026 k( 58) = ( 0.4130435 -0.2384708 0.3372486), wk = 0.0022026 k( 59) = ( 0.4202899 -0.2426545 0.3431652), wk = 0.0022026 k( 60) = ( 0.4275362 -0.2468382 0.3490819), wk = 0.0022026 k( 61) = ( 0.4347826 -0.2510219 0.3549985), wk = 0.0022026 k( 62) = ( 0.4420290 -0.2552056 0.3609152), wk = 0.0022026 k( 63) = ( 0.4492754 -0.2593893 0.3668318), wk = 0.0022026 k( 64) = ( 0.4565217 -0.2635729 0.3727484), wk = 0.0022026 k( 65) = ( 0.4637681 -0.2677566 0.3786651), wk = 0.0022026 k( 66) = ( 0.4710145 -0.2719403 0.3845817), wk = 0.0022026 k( 67) = ( 0.4782609 -0.2761240 0.3904984), wk = 0.0022026 k( 68) = ( 0.4855073 -0.2803077 0.3964150), wk = 0.0022026 k( 69) = ( 0.4927536 -0.2844914 0.4023316), wk = 0.0022026 k( 70) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0022026 k( 71) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0022026 k( 72) = ( 0.5000000 -0.2804273 0.4140804), wk = 0.0022026 k( 73) = ( 0.5000000 -0.2721794 0.4199125), wk = 0.0022026 k( 74) = ( 0.5000000 -0.2639316 0.4257446), wk = 0.0022026 k( 75) = ( 0.5000000 -0.2556837 0.4315768), wk = 0.0022026 k( 76) = ( 0.5000000 -0.2474358 0.4374089), wk = 0.0022026 k( 77) = ( 0.5000000 -0.2391880 0.4432410), wk = 0.0022026 k( 78) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0022026 k( 79) = ( 0.5000000 -0.2226922 0.4549052), wk = 0.0022026 k( 80) = ( 0.5000000 -0.2144444 0.4607374), wk = 0.0022026 k( 81) = ( 0.5000000 -0.2061965 0.4665695), wk = 0.0022026 k( 82) = ( 0.5000000 -0.1979487 0.4724016), wk = 0.0022026 k( 83) = ( 0.5000000 -0.1897008 0.4782337), wk = 0.0022026 k( 84) = ( 0.5000000 -0.1814529 0.4840658), wk = 0.0022026 k( 85) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0022026 k( 86) = ( 0.5000000 -0.1649572 0.4957301), wk = 0.0022026 k( 87) = ( 0.5000000 -0.1567094 0.5015622), wk = 0.0022026 k( 88) = ( 0.5000000 -0.1484615 0.5073943), wk = 0.0022026 k( 89) = ( 0.5000000 -0.1402136 0.5132264), wk = 0.0022026 k( 90) = ( 0.5000000 -0.1319658 0.5190585), wk = 0.0022026 k( 91) = ( 0.5000000 -0.1237179 0.5248907), wk = 0.0022026 k( 92) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0022026 k( 93) = ( 0.5000000 -0.1072222 0.5365549), wk = 0.0022026 k( 94) = ( 0.5000000 -0.0989743 0.5423870), wk = 0.0022026 k( 95) = ( 0.5000000 -0.0907265 0.5482191), wk = 0.0022026 k( 96) = ( 0.5000000 -0.0824786 0.5540513), wk = 0.0022026 k( 97) = ( 0.5000000 -0.0742307 0.5598834), wk = 0.0022026 k( 98) = ( 0.5000000 -0.0659829 0.5657155), wk = 0.0022026 k( 99) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0022026 k( 100) = ( 0.5000000 -0.0494872 0.5773797), wk = 0.0022026 k( 101) = ( 0.5000000 -0.0412393 0.5832118), wk = 0.0022026 k( 102) = ( 0.5000000 -0.0329914 0.5890440), wk = 0.0022026 k( 103) = ( 0.5000000 -0.0247436 0.5948761), wk = 0.0022026 k( 104) = ( 0.5000000 -0.0164957 0.6007082), wk = 0.0022026 k( 105) = ( 0.5000000 -0.0082479 0.6065403), wk = 0.0022026 k( 106) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0022026 k( 107) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0022026 k( 108) = ( 0.4950000 0.0086603 0.6123724), wk = 0.0022026 k( 109) = ( 0.4900000 0.0173205 0.6123724), wk = 0.0022026 k( 110) = ( 0.4850000 0.0259808 0.6123724), wk = 0.0022026 k( 111) = ( 0.4800000 0.0346410 0.6123724), wk = 0.0022026 k( 112) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0022026 k( 113) = ( 0.4700000 0.0519615 0.6123724), wk = 0.0022026 k( 114) = ( 0.4650000 0.0606218 0.6123724), wk = 0.0022026 k( 115) = ( 0.4600000 0.0692820 0.6123724), wk = 0.0022026 k( 116) = ( 0.4550000 0.0779423 0.6123724), wk = 0.0022026 k( 117) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0022026 k( 118) = ( 0.4450000 0.0952628 0.6123724), wk = 0.0022026 k( 119) = ( 0.4400000 0.1039230 0.6123724), wk = 0.0022026 k( 120) = ( 0.4350000 0.1125833 0.6123724), wk = 0.0022026 k( 121) = ( 0.4300000 0.1212436 0.6123724), wk = 0.0022026 k( 122) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0022026 k( 123) = ( 0.4200000 0.1385641 0.6123724), wk = 0.0022026 k( 124) = ( 0.4150000 0.1472243 0.6123724), wk = 0.0022026 k( 125) = ( 0.4100000 0.1558846 0.6123724), wk = 0.0022026 k( 126) = ( 0.4050000 0.1645448 0.6123724), wk = 0.0022026 k( 127) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0022026 k( 128) = ( 0.3950000 0.1818653 0.6123724), wk = 0.0022026 k( 129) = ( 0.3900000 0.1905256 0.6123724), wk = 0.0022026 k( 130) = ( 0.3850000 0.1991858 0.6123724), wk = 0.0022026 k( 131) = ( 0.3800000 0.2078461 0.6123724), wk = 0.0022026 k( 132) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0022026 k( 133) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0022026 k( 134) = ( 0.3698630 0.2135405 0.6039838), wk = 0.0022026 k( 135) = ( 0.3647260 0.2105747 0.5955951), wk = 0.0022026 k( 136) = ( 0.3595890 0.2076088 0.5872064), wk = 0.0022026 k( 137) = ( 0.3544521 0.2046430 0.5788178), wk = 0.0022026 k( 138) = ( 0.3493151 0.2016771 0.5704291), wk = 0.0022026 k( 139) = ( 0.3441781 0.1987113 0.5620405), wk = 0.0022026 k( 140) = ( 0.3390411 0.1957455 0.5536518), wk = 0.0022026 k( 141) = ( 0.3339041 0.1927796 0.5452631), wk = 0.0022026 k( 142) = ( 0.3287671 0.1898138 0.5368745), wk = 0.0022026 k( 143) = ( 0.3236301 0.1868479 0.5284858), wk = 0.0022026 k( 144) = ( 0.3184932 0.1838821 0.5200971), wk = 0.0022026 k( 145) = ( 0.3133562 0.1809163 0.5117085), wk = 0.0022026 k( 146) = ( 0.3082192 0.1779504 0.5033198), wk = 0.0022026 k( 147) = ( 0.3030822 0.1749846 0.4949311), wk = 0.0022026 k( 148) = ( 0.2979452 0.1720187 0.4865425), wk = 0.0022026 k( 149) = ( 0.2928082 0.1690529 0.4781538), wk = 0.0022026 k( 150) = ( 0.2876712 0.1660871 0.4697652), wk = 0.0022026 k( 151) = ( 0.2825342 0.1631212 0.4613765), wk = 0.0022026 k( 152) = ( 0.2773973 0.1601554 0.4529878), wk = 0.0022026 k( 153) = ( 0.2722603 0.1571895 0.4445992), wk = 0.0022026 k( 154) = ( 0.2671233 0.1542237 0.4362105), wk = 0.0022026 k( 155) = ( 0.2619863 0.1512579 0.4278218), wk = 0.0022026 k( 156) = ( 0.2568493 0.1482920 0.4194332), wk = 0.0022026 k( 157) = ( 0.2517123 0.1453262 0.4110445), wk = 0.0022026 k( 158) = ( 0.2465753 0.1423603 0.4026558), wk = 0.0022026 k( 159) = ( 0.2414384 0.1393945 0.3942672), wk = 0.0022026 k( 160) = ( 0.2363014 0.1364287 0.3858785), wk = 0.0022026 k( 161) = ( 0.2311644 0.1334628 0.3774899), wk = 0.0022026 k( 162) = ( 0.2260274 0.1304970 0.3691012), wk = 0.0022026 k( 163) = ( 0.2208904 0.1275311 0.3607125), wk = 0.0022026 k( 164) = ( 0.2157534 0.1245653 0.3523239), wk = 0.0022026 k( 165) = ( 0.2106164 0.1215995 0.3439352), wk = 0.0022026 k( 166) = ( 0.2054795 0.1186336 0.3355465), wk = 0.0022026 k( 167) = ( 0.2003425 0.1156678 0.3271579), wk = 0.0022026 k( 168) = ( 0.1952055 0.1127019 0.3187692), wk = 0.0022026 k( 169) = ( 0.1900685 0.1097361 0.3103806), wk = 0.0022026 k( 170) = ( 0.1849315 0.1067703 0.3019919), wk = 0.0022026 k( 171) = ( 0.1797945 0.1038044 0.2936032), wk = 0.0022026 k( 172) = ( 0.1746575 0.1008386 0.2852146), wk = 0.0022026 k( 173) = ( 0.1695205 0.0978727 0.2768259), wk = 0.0022026 k( 174) = ( 0.1643836 0.0949069 0.2684372), wk = 0.0022026 k( 175) = ( 0.1592466 0.0919411 0.2600486), wk = 0.0022026 k( 176) = ( 0.1541096 0.0889752 0.2516599), wk = 0.0022026 k( 177) = ( 0.1489726 0.0860094 0.2432712), wk = 0.0022026 k( 178) = ( 0.1438356 0.0830435 0.2348826), wk = 0.0022026 k( 179) = ( 0.1386986 0.0800777 0.2264939), wk = 0.0022026 k( 180) = ( 0.1335616 0.0771118 0.2181053), wk = 0.0022026 k( 181) = ( 0.1284247 0.0741460 0.2097166), wk = 0.0022026 k( 182) = ( 0.1232877 0.0711802 0.2013279), wk = 0.0022026 k( 183) = ( 0.1181507 0.0682143 0.1929393), wk = 0.0022026 k( 184) = ( 0.1130137 0.0652485 0.1845506), wk = 0.0022026 k( 185) = ( 0.1078767 0.0622826 0.1761619), wk = 0.0022026 k( 186) = ( 0.1027397 0.0593168 0.1677733), wk = 0.0022026 k( 187) = ( 0.0976027 0.0563510 0.1593846), wk = 0.0022026 k( 188) = ( 0.0924657 0.0533851 0.1509959), wk = 0.0022026 k( 189) = ( 0.0873288 0.0504193 0.1426073), wk = 0.0022026 k( 190) = ( 0.0821918 0.0474534 0.1342186), wk = 0.0022026 k( 191) = ( 0.0770548 0.0444876 0.1258300), wk = 0.0022026 k( 192) = ( 0.0719178 0.0415218 0.1174413), wk = 0.0022026 k( 193) = ( 0.0667808 0.0385559 0.1090526), wk = 0.0022026 k( 194) = ( 0.0616438 0.0355901 0.1006640), wk = 0.0022026 k( 195) = ( 0.0565068 0.0326242 0.0922753), wk = 0.0022026 k( 196) = ( 0.0513699 0.0296584 0.0838866), wk = 0.0022026 k( 197) = ( 0.0462329 0.0266926 0.0754980), wk = 0.0022026 k( 198) = ( 0.0410959 0.0237267 0.0671093), wk = 0.0022026 k( 199) = ( 0.0359589 0.0207609 0.0587207), wk = 0.0022026 k( 200) = ( 0.0308219 0.0177950 0.0503320), wk = 0.0022026 k( 201) = ( 0.0256849 0.0148292 0.0419433), wk = 0.0022026 k( 202) = ( 0.0205479 0.0118634 0.0335546), wk = 0.0022026 k( 203) = ( 0.0154110 0.0088975 0.0251660), wk = 0.0022026 k( 204) = ( 0.0102740 0.0059317 0.0167773), wk = 0.0022026 k( 205) = ( 0.0051370 0.0029658 0.0083887), wk = 0.0022026 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 208) = ( 0.0084746 0.0048928 0.0034597), wk = 0.0022026 k( 209) = ( 0.0169491 0.0097856 0.0069195), wk = 0.0022026 k( 210) = ( 0.0254237 0.0146784 0.0103792), wk = 0.0022026 k( 211) = ( 0.0338983 0.0195712 0.0138389), wk = 0.0022026 k( 212) = ( 0.0423729 0.0244640 0.0172987), wk = 0.0022026 k( 213) = ( 0.0508475 0.0293568 0.0207584), wk = 0.0022026 k( 214) = ( 0.0593220 0.0342496 0.0242181), wk = 0.0022026 k( 215) = ( 0.0677966 0.0391424 0.0276779), wk = 0.0022026 k( 216) = ( 0.0762712 0.0440352 0.0311376), wk = 0.0022026 k( 217) = ( 0.0847458 0.0489280 0.0345973), wk = 0.0022026 k( 218) = ( 0.0932203 0.0538208 0.0380570), wk = 0.0022026 k( 219) = ( 0.1016949 0.0587136 0.0415168), wk = 0.0022026 k( 220) = ( 0.1101695 0.0636064 0.0449765), wk = 0.0022026 k( 221) = ( 0.1186441 0.0684992 0.0484362), wk = 0.0022026 k( 222) = ( 0.1271186 0.0733920 0.0518960), wk = 0.0022026 k( 223) = ( 0.1355932 0.0782848 0.0553557), wk = 0.0022026 k( 224) = ( 0.1440678 0.0831776 0.0588154), wk = 0.0022026 k( 225) = ( 0.1525424 0.0880704 0.0622752), wk = 0.0022026 k( 226) = ( 0.1610169 0.0929632 0.0657349), wk = 0.0022026 k( 227) = ( 0.1694915 0.0978560 0.0691946), wk = 0.0022026 k( 228) = ( 0.1779661 0.1027488 0.0726544), wk = 0.0022026 k( 229) = ( 0.1864407 0.1076416 0.0761141), wk = 0.0022026 k( 230) = ( 0.1949153 0.1125344 0.0795738), wk = 0.0022026 k( 231) = ( 0.2033898 0.1174272 0.0830336), wk = 0.0022026 k( 232) = ( 0.2118644 0.1223200 0.0864933), wk = 0.0022026 k( 233) = ( 0.2203390 0.1272128 0.0899530), wk = 0.0022026 k( 234) = ( 0.2288136 0.1321056 0.0934127), wk = 0.0022026 k( 235) = ( 0.2372881 0.1369984 0.0968725), wk = 0.0022026 k( 236) = ( 0.2457627 0.1418912 0.1003322), wk = 0.0022026 k( 237) = ( 0.2542373 0.1467840 0.1037919), wk = 0.0022026 k( 238) = ( 0.2627119 0.1516768 0.1072517), wk = 0.0022026 k( 239) = ( 0.2711864 0.1565696 0.1107114), wk = 0.0022026 k( 240) = ( 0.2796610 0.1614624 0.1141711), wk = 0.0022026 k( 241) = ( 0.2881356 0.1663552 0.1176309), wk = 0.0022026 k( 242) = ( 0.2966102 0.1712480 0.1210906), wk = 0.0022026 k( 243) = ( 0.3050848 0.1761408 0.1245503), wk = 0.0022026 k( 244) = ( 0.3135593 0.1810336 0.1280101), wk = 0.0022026 k( 245) = ( 0.3220339 0.1859264 0.1314698), wk = 0.0022026 k( 246) = ( 0.3305085 0.1908192 0.1349295), wk = 0.0022026 k( 247) = ( 0.3389831 0.1957120 0.1383893), wk = 0.0022026 k( 248) = ( 0.3474576 0.2006048 0.1418490), wk = 0.0022026 k( 249) = ( 0.3559322 0.2054976 0.1453087), wk = 0.0022026 k( 250) = ( 0.3644068 0.2103904 0.1487684), wk = 0.0022026 k( 251) = ( 0.3728814 0.2152832 0.1522282), wk = 0.0022026 k( 252) = ( 0.3813559 0.2201759 0.1556879), wk = 0.0022026 k( 253) = ( 0.3898305 0.2250687 0.1591476), wk = 0.0022026 k( 254) = ( 0.3983051 0.2299615 0.1626074), wk = 0.0022026 k( 255) = ( 0.4067797 0.2348543 0.1660671), wk = 0.0022026 k( 256) = ( 0.4152542 0.2397471 0.1695268), wk = 0.0022026 k( 257) = ( 0.4237288 0.2446399 0.1729866), wk = 0.0022026 k( 258) = ( 0.4322034 0.2495327 0.1764463), wk = 0.0022026 k( 259) = ( 0.4406780 0.2544255 0.1799060), wk = 0.0022026 k( 260) = ( 0.4491525 0.2593183 0.1833658), wk = 0.0022026 k( 261) = ( 0.4576271 0.2642111 0.1868255), wk = 0.0022026 k( 262) = ( 0.4661017 0.2691039 0.1902852), wk = 0.0022026 k( 263) = ( 0.4745763 0.2739967 0.1937450), wk = 0.0022026 k( 264) = ( 0.4830508 0.2788895 0.1972047), wk = 0.0022026 k( 265) = ( 0.4915254 0.2837823 0.2006644), wk = 0.0022026 k( 266) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022026 k( 267) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022026 k( 268) = ( 0.5029762 0.2800836 0.2089842), wk = 0.0022026 k( 269) = ( 0.5059524 0.2714921 0.2138443), wk = 0.0022026 k( 270) = ( 0.5089286 0.2629006 0.2187044), wk = 0.0022026 k( 271) = ( 0.5119048 0.2543091 0.2235645), wk = 0.0022026 k( 272) = ( 0.5148810 0.2457175 0.2284246), wk = 0.0022026 k( 273) = ( 0.5178571 0.2371260 0.2332847), wk = 0.0022026 k( 274) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0022026 k( 275) = ( 0.5238095 0.2199430 0.2430049), wk = 0.0022026 k( 276) = ( 0.5267857 0.2113514 0.2478650), wk = 0.0022026 k( 277) = ( 0.5297619 0.2027599 0.2527251), wk = 0.0022026 k( 278) = ( 0.5327381 0.1941684 0.2575852), wk = 0.0022026 k( 279) = ( 0.5357143 0.1855769 0.2624453), wk = 0.0022026 k( 280) = ( 0.5386905 0.1769854 0.2673054), wk = 0.0022026 k( 281) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0022026 k( 282) = ( 0.5446429 0.1598023 0.2770256), wk = 0.0022026 k( 283) = ( 0.5476190 0.1512108 0.2818857), wk = 0.0022026 k( 284) = ( 0.5505952 0.1426193 0.2867458), wk = 0.0022026 k( 285) = ( 0.5535714 0.1340277 0.2916059), wk = 0.0022026 k( 286) = ( 0.5565476 0.1254362 0.2964660), wk = 0.0022026 k( 287) = ( 0.5595238 0.1168447 0.3013261), wk = 0.0022026 k( 288) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0022026 k( 289) = ( 0.5654762 0.0996617 0.3110463), wk = 0.0022026 k( 290) = ( 0.5684524 0.0910701 0.3159064), wk = 0.0022026 k( 291) = ( 0.5714286 0.0824786 0.3207665), wk = 0.0022026 k( 292) = ( 0.5744048 0.0738871 0.3256266), wk = 0.0022026 k( 293) = ( 0.5773810 0.0652956 0.3304867), wk = 0.0022026 k( 294) = ( 0.5803571 0.0567040 0.3353468), wk = 0.0022026 k( 295) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0022026 k( 296) = ( 0.5863095 0.0395210 0.3450670), wk = 0.0022026 k( 297) = ( 0.5892857 0.0309295 0.3499271), wk = 0.0022026 k( 298) = ( 0.5922619 0.0223380 0.3547872), wk = 0.0022026 k( 299) = ( 0.5952381 0.0137464 0.3596473), wk = 0.0022026 k( 300) = ( 0.5982143 0.0051549 0.3645074), wk = 0.0022026 k( 301) = ( 0.6011905 -0.0034366 0.3693675), wk = 0.0022026 k( 302) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0022026 k( 303) = ( 0.6071429 -0.0206196 0.3790877), wk = 0.0022026 k( 304) = ( 0.6101190 -0.0292112 0.3839478), wk = 0.0022026 k( 305) = ( 0.6130952 -0.0378027 0.3888079), wk = 0.0022026 k( 306) = ( 0.6160714 -0.0463942 0.3936680), wk = 0.0022026 k( 307) = ( 0.6190476 -0.0549857 0.3985281), wk = 0.0022026 k( 308) = ( 0.6220238 -0.0635773 0.4033882), wk = 0.0022026 k( 309) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0022026 k( 310) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0022026 k( 311) = ( 0.6200000 -0.0692820 0.4164133), wk = 0.0022026 k( 312) = ( 0.6150000 -0.0663953 0.4245782), wk = 0.0022026 k( 313) = ( 0.6100000 -0.0635085 0.4327432), wk = 0.0022026 k( 314) = ( 0.6050000 -0.0606218 0.4409082), wk = 0.0022026 k( 315) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0022026 k( 316) = ( 0.5950000 -0.0548483 0.4572381), wk = 0.0022026 k( 317) = ( 0.5900000 -0.0519615 0.4654031), wk = 0.0022026 k( 318) = ( 0.5850000 -0.0490748 0.4735680), wk = 0.0022026 k( 319) = ( 0.5800000 -0.0461880 0.4817330), wk = 0.0022026 k( 320) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0022026 k( 321) = ( 0.5700000 -0.0404145 0.4980629), wk = 0.0022026 k( 322) = ( 0.5650000 -0.0375278 0.5062279), wk = 0.0022026 k( 323) = ( 0.5600000 -0.0346410 0.5143928), wk = 0.0022026 k( 324) = ( 0.5550000 -0.0317543 0.5225578), wk = 0.0022026 k( 325) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0022026 k( 326) = ( 0.5450000 -0.0259808 0.5388877), wk = 0.0022026 k( 327) = ( 0.5400000 -0.0230940 0.5470527), wk = 0.0022026 k( 328) = ( 0.5350000 -0.0202073 0.5552177), wk = 0.0022026 k( 329) = ( 0.5300000 -0.0173205 0.5633826), wk = 0.0022026 k( 330) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0022026 k( 331) = ( 0.5200000 -0.0115470 0.5797126), wk = 0.0022026 k( 332) = ( 0.5150000 -0.0086603 0.5878775), wk = 0.0022026 k( 333) = ( 0.5100000 -0.0057735 0.5960425), wk = 0.0022026 k( 334) = ( 0.5050000 -0.0028868 0.6042075), wk = 0.0022026 k( 335) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0022026 k( 336) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0022026 k( 337) = ( 0.5000000 0.0058913 0.6040408), wk = 0.0022026 k( 338) = ( 0.5000000 0.0117827 0.5957092), wk = 0.0022026 k( 339) = ( 0.5000000 0.0176740 0.5873776), wk = 0.0022026 k( 340) = ( 0.5000000 0.0235653 0.5790460), wk = 0.0022026 k( 341) = ( 0.5000000 0.0294566 0.5707145), wk = 0.0022026 k( 342) = ( 0.5000000 0.0353480 0.5623829), wk = 0.0022026 k( 343) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0022026 k( 344) = ( 0.5000000 0.0471306 0.5457196), wk = 0.0022026 k( 345) = ( 0.5000000 0.0530220 0.5373881), wk = 0.0022026 k( 346) = ( 0.5000000 0.0589133 0.5290565), wk = 0.0022026 k( 347) = ( 0.5000000 0.0648046 0.5207249), wk = 0.0022026 k( 348) = ( 0.5000000 0.0706960 0.5123933), wk = 0.0022026 k( 349) = ( 0.5000000 0.0765873 0.5040617), wk = 0.0022026 k( 350) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0022026 k( 351) = ( 0.5000000 0.0883699 0.4873985), wk = 0.0022026 k( 352) = ( 0.5000000 0.0942613 0.4790669), wk = 0.0022026 k( 353) = ( 0.5000000 0.1001526 0.4707353), wk = 0.0022026 k( 354) = ( 0.5000000 0.1060439 0.4624037), wk = 0.0022026 k( 355) = ( 0.5000000 0.1119353 0.4540721), wk = 0.0022026 k( 356) = ( 0.5000000 0.1178266 0.4457405), wk = 0.0022026 k( 357) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0022026 k( 358) = ( 0.5000000 0.1296092 0.4290773), wk = 0.0022026 k( 359) = ( 0.5000000 0.1355006 0.4207457), wk = 0.0022026 k( 360) = ( 0.5000000 0.1413919 0.4124141), wk = 0.0022026 k( 361) = ( 0.5000000 0.1472832 0.4040825), wk = 0.0022026 k( 362) = ( 0.5000000 0.1531746 0.3957509), wk = 0.0022026 k( 363) = ( 0.5000000 0.1590659 0.3874193), wk = 0.0022026 k( 364) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0022026 k( 365) = ( 0.5000000 0.1708485 0.3707561), wk = 0.0022026 k( 366) = ( 0.5000000 0.1767399 0.3624245), wk = 0.0022026 k( 367) = ( 0.5000000 0.1826312 0.3540929), wk = 0.0022026 k( 368) = ( 0.5000000 0.1885225 0.3457613), wk = 0.0022026 k( 369) = ( 0.5000000 0.1944139 0.3374297), wk = 0.0022026 k( 370) = ( 0.5000000 0.2003052 0.3290981), wk = 0.0022026 k( 371) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0022026 k( 372) = ( 0.5000000 0.2120879 0.3124349), wk = 0.0022026 k( 373) = ( 0.5000000 0.2179792 0.3041033), wk = 0.0022026 k( 374) = ( 0.5000000 0.2238705 0.2957717), wk = 0.0022026 k( 375) = ( 0.5000000 0.2297618 0.2874401), wk = 0.0022026 k( 376) = ( 0.5000000 0.2356532 0.2791085), wk = 0.0022026 k( 377) = ( 0.5000000 0.2415445 0.2707769), wk = 0.0022026 k( 378) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0022026 k( 379) = ( 0.5000000 0.2533272 0.2541137), wk = 0.0022026 k( 380) = ( 0.5000000 0.2592185 0.2457821), wk = 0.0022026 k( 381) = ( 0.5000000 0.2651098 0.2374505), wk = 0.0022026 k( 382) = ( 0.5000000 0.2710011 0.2291189), wk = 0.0022026 k( 383) = ( 0.5000000 0.2768925 0.2207873), wk = 0.0022026 k( 384) = ( 0.5000000 0.2827838 0.2124557), wk = 0.0022026 k( 385) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022026 k( 386) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022026 k( 387) = ( 0.4970238 0.2869568 0.2138443), wk = 0.0022026 k( 388) = ( 0.4940476 0.2852385 0.2235645), wk = 0.0022026 k( 389) = ( 0.4910714 0.2835202 0.2332847), wk = 0.0022026 k( 390) = ( 0.4880952 0.2818019 0.2430049), wk = 0.0022026 k( 391) = ( 0.4851190 0.2800836 0.2527251), wk = 0.0022026 k( 392) = ( 0.4821429 0.2783653 0.2624453), wk = 0.0022026 k( 393) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0022026 k( 394) = ( 0.4761905 0.2749287 0.2818857), wk = 0.0022026 k( 395) = ( 0.4732143 0.2732104 0.2916059), wk = 0.0022026 k( 396) = ( 0.4702381 0.2714921 0.3013261), wk = 0.0022026 k( 397) = ( 0.4672619 0.2697738 0.3110463), wk = 0.0022026 k( 398) = ( 0.4642857 0.2680555 0.3207665), wk = 0.0022026 k( 399) = ( 0.4613095 0.2663372 0.3304867), wk = 0.0022026 k( 400) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0022026 k( 401) = ( 0.4553571 0.2629006 0.3499271), wk = 0.0022026 k( 402) = ( 0.4523810 0.2611823 0.3596473), wk = 0.0022026 k( 403) = ( 0.4494048 0.2594640 0.3693675), wk = 0.0022026 k( 404) = ( 0.4464286 0.2577457 0.3790877), wk = 0.0022026 k( 405) = ( 0.4434524 0.2560274 0.3888079), wk = 0.0022026 k( 406) = ( 0.4404762 0.2543090 0.3985281), wk = 0.0022026 k( 407) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0022026 k( 408) = ( 0.4345238 0.2508724 0.4179685), wk = 0.0022026 k( 409) = ( 0.4315476 0.2491541 0.4276887), wk = 0.0022026 k( 410) = ( 0.4285714 0.2474358 0.4374089), wk = 0.0022026 k( 411) = ( 0.4255952 0.2457175 0.4471291), wk = 0.0022026 k( 412) = ( 0.4226190 0.2439992 0.4568493), wk = 0.0022026 k( 413) = ( 0.4196429 0.2422809 0.4665695), wk = 0.0022026 k( 414) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0022026 k( 415) = ( 0.4136905 0.2388443 0.4860099), wk = 0.0022026 k( 416) = ( 0.4107143 0.2371260 0.4957301), wk = 0.0022026 k( 417) = ( 0.4077381 0.2354077 0.5054503), wk = 0.0022026 k( 418) = ( 0.4047619 0.2336894 0.5151705), wk = 0.0022026 k( 419) = ( 0.4017857 0.2319711 0.5248907), wk = 0.0022026 k( 420) = ( 0.3988095 0.2302528 0.5346109), wk = 0.0022026 k( 421) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0022026 k( 422) = ( 0.3928571 0.2268162 0.5540512), wk = 0.0022026 k( 423) = ( 0.3898810 0.2250979 0.5637715), wk = 0.0022026 k( 424) = ( 0.3869048 0.2233796 0.5734917), wk = 0.0022026 k( 425) = ( 0.3839286 0.2216613 0.5832118), wk = 0.0022026 k( 426) = ( 0.3809524 0.2199430 0.5929320), wk = 0.0022026 k( 427) = ( 0.3779762 0.2182247 0.6026522), wk = 0.0022026 k( 428) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0022026 k( 429) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0022026 k( 430) = ( 0.6200000 -0.0808290 0.4082483), wk = 0.0022026 k( 431) = ( 0.6150000 -0.0894893 0.4082483), wk = 0.0022026 k( 432) = ( 0.6100000 -0.0981495 0.4082483), wk = 0.0022026 k( 433) = ( 0.6050000 -0.1068098 0.4082483), wk = 0.0022026 k( 434) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0022026 k( 435) = ( 0.5950000 -0.1241303 0.4082483), wk = 0.0022026 k( 436) = ( 0.5900000 -0.1327906 0.4082483), wk = 0.0022026 k( 437) = ( 0.5850000 -0.1414508 0.4082483), wk = 0.0022026 k( 438) = ( 0.5800000 -0.1501111 0.4082483), wk = 0.0022026 k( 439) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0022026 k( 440) = ( 0.5700000 -0.1674316 0.4082483), wk = 0.0022026 k( 441) = ( 0.5650000 -0.1760918 0.4082483), wk = 0.0022026 k( 442) = ( 0.5600000 -0.1847521 0.4082483), wk = 0.0022026 k( 443) = ( 0.5550000 -0.1934123 0.4082483), wk = 0.0022026 k( 444) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0022026 k( 445) = ( 0.5450000 -0.2107328 0.4082483), wk = 0.0022026 k( 446) = ( 0.5400000 -0.2193931 0.4082483), wk = 0.0022026 k( 447) = ( 0.5350000 -0.2280534 0.4082483), wk = 0.0022026 k( 448) = ( 0.5300000 -0.2367136 0.4082483), wk = 0.0022026 k( 449) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0022026 k( 450) = ( 0.5200000 -0.2540341 0.4082483), wk = 0.0022026 k( 451) = ( 0.5150000 -0.2626944 0.4082483), wk = 0.0022026 k( 452) = ( 0.5100000 -0.2713546 0.4082483), wk = 0.0022026 k( 453) = ( 0.5050000 -0.2800149 0.4082483), wk = 0.0022026 k( 454) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0022026 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 2) = ( 0.0072464 0.0000000 0.0072464), wk = 0.0022026 k( 3) = ( 0.0144928 0.0000000 0.0144927), wk = 0.0022026 k( 4) = ( 0.0217391 0.0000000 0.0217391), wk = 0.0022026 k( 5) = ( 0.0289855 0.0000000 0.0289855), wk = 0.0022026 k( 6) = ( 0.0362319 0.0000000 0.0362319), wk = 0.0022026 k( 7) = ( 0.0434783 0.0000000 0.0434783), wk = 0.0022026 k( 8) = ( 0.0507246 0.0000000 0.0507246), wk = 0.0022026 k( 9) = ( 0.0579710 0.0000000 0.0579710), wk = 0.0022026 k( 10) = ( 0.0652174 0.0000000 0.0652174), wk = 0.0022026 k( 11) = ( 0.0724638 0.0000000 0.0724638), wk = 0.0022026 k( 12) = ( 0.0797101 0.0000000 0.0797101), wk = 0.0022026 k( 13) = ( 0.0869565 0.0000000 0.0869565), wk = 0.0022026 k( 14) = ( 0.0942029 0.0000000 0.0942029), wk = 0.0022026 k( 15) = ( 0.1014493 0.0000000 0.1014493), wk = 0.0022026 k( 16) = ( 0.1086957 0.0000000 0.1086956), wk = 0.0022026 k( 17) = ( 0.1159420 0.0000000 0.1159420), wk = 0.0022026 k( 18) = ( 0.1231884 0.0000000 0.1231884), wk = 0.0022026 k( 19) = ( 0.1304348 0.0000000 0.1304348), wk = 0.0022026 k( 20) = ( 0.1376812 0.0000000 0.1376812), wk = 0.0022026 k( 21) = ( 0.1449275 0.0000000 0.1449275), wk = 0.0022026 k( 22) = ( 0.1521739 -0.0000000 0.1521739), wk = 0.0022026 k( 23) = ( 0.1594203 0.0000000 0.1594203), wk = 0.0022026 k( 24) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0022026 k( 25) = ( 0.1739130 0.0000000 0.1739130), wk = 0.0022026 k( 26) = ( 0.1811594 0.0000000 0.1811594), wk = 0.0022026 k( 27) = ( 0.1884058 0.0000000 0.1884058), wk = 0.0022026 k( 28) = ( 0.1956522 0.0000000 0.1956522), wk = 0.0022026 k( 29) = ( 0.2028986 0.0000000 0.2028986), wk = 0.0022026 k( 30) = ( 0.2101449 0.0000000 0.2101449), wk = 0.0022026 k( 31) = ( 0.2173913 0.0000000 0.2173913), wk = 0.0022026 k( 32) = ( 0.2246377 0.0000000 0.2246377), wk = 0.0022026 k( 33) = ( 0.2318841 0.0000000 0.2318841), wk = 0.0022026 k( 34) = ( 0.2391304 0.0000000 0.2391304), wk = 0.0022026 k( 35) = ( 0.2463768 0.0000000 0.2463768), wk = 0.0022026 k( 36) = ( 0.2536232 0.0000000 0.2536232), wk = 0.0022026 k( 37) = ( 0.2608696 0.0000000 0.2608696), wk = 0.0022026 k( 38) = ( 0.2681159 0.0000000 0.2681159), wk = 0.0022026 k( 39) = ( 0.2753623 0.0000000 0.2753623), wk = 0.0022026 k( 40) = ( 0.2826087 0.0000000 0.2826087), wk = 0.0022026 k( 41) = ( 0.2898551 0.0000000 0.2898551), wk = 0.0022026 k( 42) = ( 0.2971014 0.0000000 0.2971014), wk = 0.0022026 k( 43) = ( 0.3043478 0.0000000 0.3043478), wk = 0.0022026 k( 44) = ( 0.3115942 0.0000000 0.3115942), wk = 0.0022026 k( 45) = ( 0.3188406 0.0000000 0.3188406), wk = 0.0022026 k( 46) = ( 0.3260870 0.0000000 0.3260870), wk = 0.0022026 k( 47) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0022026 k( 48) = ( 0.3405797 0.0000000 0.3405797), wk = 0.0022026 k( 49) = ( 0.3478261 0.0000000 0.3478261), wk = 0.0022026 k( 50) = ( 0.3550725 0.0000000 0.3550725), wk = 0.0022026 k( 51) = ( 0.3623188 0.0000000 0.3623188), wk = 0.0022026 k( 52) = ( 0.3695652 0.0000000 0.3695652), wk = 0.0022026 k( 53) = ( 0.3768116 0.0000000 0.3768116), wk = 0.0022026 k( 54) = ( 0.3840580 0.0000000 0.3840580), wk = 0.0022026 k( 55) = ( 0.3913044 0.0000000 0.3913043), wk = 0.0022026 k( 56) = ( 0.3985507 0.0000000 0.3985507), wk = 0.0022026 k( 57) = ( 0.4057971 0.0000000 0.4057971), wk = 0.0022026 k( 58) = ( 0.4130435 0.0000000 0.4130435), wk = 0.0022026 k( 59) = ( 0.4202899 0.0000000 0.4202899), wk = 0.0022026 k( 60) = ( 0.4275362 0.0000000 0.4275362), wk = 0.0022026 k( 61) = ( 0.4347826 0.0000000 0.4347826), wk = 0.0022026 k( 62) = ( 0.4420290 0.0000000 0.4420290), wk = 0.0022026 k( 63) = ( 0.4492754 0.0000000 0.4492754), wk = 0.0022026 k( 64) = ( 0.4565217 0.0000000 0.4565217), wk = 0.0022026 k( 65) = ( 0.4637681 0.0000000 0.4637681), wk = 0.0022026 k( 66) = ( 0.4710145 0.0000000 0.4710145), wk = 0.0022026 k( 67) = ( 0.4782609 0.0000000 0.4782609), wk = 0.0022026 k( 68) = ( 0.4855073 0.0000000 0.4855073), wk = 0.0022026 k( 69) = ( 0.4927536 0.0000000 0.4927536), wk = 0.0022026 k( 70) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022026 k( 71) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022026 k( 72) = ( 0.5000000 0.0071429 0.5071429), wk = 0.0022026 k( 73) = ( 0.5000000 0.0142857 0.5142857), wk = 0.0022026 k( 74) = ( 0.5000000 0.0214286 0.5214286), wk = 0.0022026 k( 75) = ( 0.5000000 0.0285714 0.5285714), wk = 0.0022026 k( 76) = ( 0.5000000 0.0357143 0.5357143), wk = 0.0022026 k( 77) = ( 0.5000000 0.0428571 0.5428571), wk = 0.0022026 k( 78) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0022026 k( 79) = ( 0.5000000 0.0571429 0.5571429), wk = 0.0022026 k( 80) = ( 0.5000000 0.0642857 0.5642857), wk = 0.0022026 k( 81) = ( 0.5000000 0.0714286 0.5714286), wk = 0.0022026 k( 82) = ( 0.5000000 0.0785714 0.5785714), wk = 0.0022026 k( 83) = ( 0.5000000 0.0857143 0.5857143), wk = 0.0022026 k( 84) = ( 0.5000000 0.0928571 0.5928571), wk = 0.0022026 k( 85) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0022026 k( 86) = ( 0.5000000 0.1071429 0.6071429), wk = 0.0022026 k( 87) = ( 0.5000000 0.1142857 0.6142857), wk = 0.0022026 k( 88) = ( 0.5000000 0.1214286 0.6214286), wk = 0.0022026 k( 89) = ( 0.5000000 0.1285714 0.6285714), wk = 0.0022026 k( 90) = ( 0.5000000 0.1357143 0.6357143), wk = 0.0022026 k( 91) = ( 0.5000000 0.1428571 0.6428571), wk = 0.0022026 k( 92) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0022026 k( 93) = ( 0.5000000 0.1571429 0.6571429), wk = 0.0022026 k( 94) = ( 0.5000000 0.1642857 0.6642857), wk = 0.0022026 k( 95) = ( 0.5000000 0.1714286 0.6714286), wk = 0.0022026 k( 96) = ( 0.5000000 0.1785714 0.6785714), wk = 0.0022026 k( 97) = ( 0.5000000 0.1857143 0.6857143), wk = 0.0022026 k( 98) = ( 0.5000000 0.1928571 0.6928571), wk = 0.0022026 k( 99) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0022026 k( 100) = ( 0.5000000 0.2071429 0.7071429), wk = 0.0022026 k( 101) = ( 0.5000000 0.2142857 0.7142857), wk = 0.0022026 k( 102) = ( 0.5000000 0.2214286 0.7214286), wk = 0.0022026 k( 103) = ( 0.5000000 0.2285714 0.7285714), wk = 0.0022026 k( 104) = ( 0.5000000 0.2357143 0.7357143), wk = 0.0022026 k( 105) = ( 0.5000000 0.2428571 0.7428571), wk = 0.0022026 k( 106) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022026 k( 107) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022026 k( 108) = ( 0.4950000 0.2550000 0.7500000), wk = 0.0022026 k( 109) = ( 0.4900000 0.2600000 0.7500000), wk = 0.0022026 k( 110) = ( 0.4850000 0.2650000 0.7500000), wk = 0.0022026 k( 111) = ( 0.4800000 0.2700000 0.7500000), wk = 0.0022026 k( 112) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0022026 k( 113) = ( 0.4700000 0.2800000 0.7500000), wk = 0.0022026 k( 114) = ( 0.4650000 0.2850000 0.7500000), wk = 0.0022026 k( 115) = ( 0.4600000 0.2900000 0.7500000), wk = 0.0022026 k( 116) = ( 0.4550000 0.2950000 0.7500000), wk = 0.0022026 k( 117) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0022026 k( 118) = ( 0.4450000 0.3050000 0.7500000), wk = 0.0022026 k( 119) = ( 0.4400000 0.3100000 0.7500000), wk = 0.0022026 k( 120) = ( 0.4350000 0.3150000 0.7500000), wk = 0.0022026 k( 121) = ( 0.4300000 0.3200000 0.7500000), wk = 0.0022026 k( 122) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0022026 k( 123) = ( 0.4200000 0.3300000 0.7500000), wk = 0.0022026 k( 124) = ( 0.4150000 0.3350000 0.7500000), wk = 0.0022026 k( 125) = ( 0.4100000 0.3400000 0.7500000), wk = 0.0022026 k( 126) = ( 0.4050000 0.3450000 0.7500000), wk = 0.0022026 k( 127) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0022026 k( 128) = ( 0.3950000 0.3550000 0.7500000), wk = 0.0022026 k( 129) = ( 0.3900000 0.3600000 0.7500000), wk = 0.0022026 k( 130) = ( 0.3850000 0.3650000 0.7500000), wk = 0.0022026 k( 131) = ( 0.3800000 0.3700000 0.7500000), wk = 0.0022026 k( 132) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022026 k( 133) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022026 k( 134) = ( 0.3698630 0.3698630 0.7397260), wk = 0.0022026 k( 135) = ( 0.3647260 0.3647260 0.7294521), wk = 0.0022026 k( 136) = ( 0.3595890 0.3595890 0.7191781), wk = 0.0022026 k( 137) = ( 0.3544521 0.3544521 0.7089041), wk = 0.0022026 k( 138) = ( 0.3493151 0.3493151 0.6986301), wk = 0.0022026 k( 139) = ( 0.3441781 0.3441781 0.6883562), wk = 0.0022026 k( 140) = ( 0.3390411 0.3390411 0.6780822), wk = 0.0022026 k( 141) = ( 0.3339041 0.3339041 0.6678082), wk = 0.0022026 k( 142) = ( 0.3287671 0.3287671 0.6575342), wk = 0.0022026 k( 143) = ( 0.3236301 0.3236301 0.6472603), wk = 0.0022026 k( 144) = ( 0.3184932 0.3184932 0.6369863), wk = 0.0022026 k( 145) = ( 0.3133562 0.3133562 0.6267123), wk = 0.0022026 k( 146) = ( 0.3082192 0.3082192 0.6164384), wk = 0.0022026 k( 147) = ( 0.3030822 0.3030822 0.6061644), wk = 0.0022026 k( 148) = ( 0.2979452 0.2979452 0.5958904), wk = 0.0022026 k( 149) = ( 0.2928082 0.2928082 0.5856164), wk = 0.0022026 k( 150) = ( 0.2876712 0.2876712 0.5753425), wk = 0.0022026 k( 151) = ( 0.2825342 0.2825342 0.5650685), wk = 0.0022026 k( 152) = ( 0.2773973 0.2773973 0.5547945), wk = 0.0022026 k( 153) = ( 0.2722603 0.2722603 0.5445205), wk = 0.0022026 k( 154) = ( 0.2671233 0.2671233 0.5342466), wk = 0.0022026 k( 155) = ( 0.2619863 0.2619863 0.5239726), wk = 0.0022026 k( 156) = ( 0.2568493 0.2568493 0.5136986), wk = 0.0022026 k( 157) = ( 0.2517123 0.2517123 0.5034247), wk = 0.0022026 k( 158) = ( 0.2465753 0.2465753 0.4931507), wk = 0.0022026 k( 159) = ( 0.2414384 0.2414384 0.4828767), wk = 0.0022026 k( 160) = ( 0.2363014 0.2363014 0.4726027), wk = 0.0022026 k( 161) = ( 0.2311644 0.2311644 0.4623288), wk = 0.0022026 k( 162) = ( 0.2260274 0.2260274 0.4520548), wk = 0.0022026 k( 163) = ( 0.2208904 0.2208904 0.4417808), wk = 0.0022026 k( 164) = ( 0.2157534 0.2157534 0.4315068), wk = 0.0022026 k( 165) = ( 0.2106164 0.2106164 0.4212329), wk = 0.0022026 k( 166) = ( 0.2054795 0.2054795 0.4109589), wk = 0.0022026 k( 167) = ( 0.2003425 0.2003425 0.4006849), wk = 0.0022026 k( 168) = ( 0.1952055 0.1952055 0.3904110), wk = 0.0022026 k( 169) = ( 0.1900685 0.1900685 0.3801370), wk = 0.0022026 k( 170) = ( 0.1849315 0.1849315 0.3698630), wk = 0.0022026 k( 171) = ( 0.1797945 0.1797945 0.3595890), wk = 0.0022026 k( 172) = ( 0.1746575 0.1746575 0.3493151), wk = 0.0022026 k( 173) = ( 0.1695205 0.1695206 0.3390411), wk = 0.0022026 k( 174) = ( 0.1643836 0.1643836 0.3287671), wk = 0.0022026 k( 175) = ( 0.1592466 0.1592466 0.3184932), wk = 0.0022026 k( 176) = ( 0.1541096 0.1541096 0.3082192), wk = 0.0022026 k( 177) = ( 0.1489726 0.1489726 0.2979452), wk = 0.0022026 k( 178) = ( 0.1438356 0.1438356 0.2876712), wk = 0.0022026 k( 179) = ( 0.1386986 0.1386986 0.2773973), wk = 0.0022026 k( 180) = ( 0.1335616 0.1335616 0.2671233), wk = 0.0022026 k( 181) = ( 0.1284247 0.1284247 0.2568493), wk = 0.0022026 k( 182) = ( 0.1232877 0.1232877 0.2465753), wk = 0.0022026 k( 183) = ( 0.1181507 0.1181507 0.2363014), wk = 0.0022026 k( 184) = ( 0.1130137 0.1130137 0.2260274), wk = 0.0022026 k( 185) = ( 0.1078767 0.1078767 0.2157534), wk = 0.0022026 k( 186) = ( 0.1027397 0.1027397 0.2054795), wk = 0.0022026 k( 187) = ( 0.0976027 0.0976027 0.1952055), wk = 0.0022026 k( 188) = ( 0.0924657 0.0924657 0.1849315), wk = 0.0022026 k( 189) = ( 0.0873288 0.0873288 0.1746575), wk = 0.0022026 k( 190) = ( 0.0821918 0.0821918 0.1643836), wk = 0.0022026 k( 191) = ( 0.0770548 0.0770548 0.1541096), wk = 0.0022026 k( 192) = ( 0.0719178 0.0719178 0.1438356), wk = 0.0022026 k( 193) = ( 0.0667808 0.0667808 0.1335616), wk = 0.0022026 k( 194) = ( 0.0616438 0.0616438 0.1232877), wk = 0.0022026 k( 195) = ( 0.0565068 0.0565068 0.1130137), wk = 0.0022026 k( 196) = ( 0.0513699 0.0513699 0.1027397), wk = 0.0022026 k( 197) = ( 0.0462329 0.0462329 0.0924657), wk = 0.0022026 k( 198) = ( 0.0410959 0.0410959 0.0821918), wk = 0.0022026 k( 199) = ( 0.0359589 0.0359589 0.0719178), wk = 0.0022026 k( 200) = ( 0.0308219 0.0308219 0.0616438), wk = 0.0022026 k( 201) = ( 0.0256849 0.0256849 0.0513699), wk = 0.0022026 k( 202) = ( 0.0205479 0.0205479 0.0410959), wk = 0.0022026 k( 203) = ( 0.0154110 0.0154110 0.0308219), wk = 0.0022026 k( 204) = ( 0.0102740 0.0102740 0.0205479), wk = 0.0022026 k( 205) = ( 0.0051370 0.0051370 0.0102740), wk = 0.0022026 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 208) = ( 0.0084746 0.0084746 0.0084746), wk = 0.0022026 k( 209) = ( 0.0169491 0.0169492 0.0169491), wk = 0.0022026 k( 210) = ( 0.0254237 0.0254237 0.0254237), wk = 0.0022026 k( 211) = ( 0.0338983 0.0338983 0.0338983), wk = 0.0022026 k( 212) = ( 0.0423729 0.0423729 0.0423729), wk = 0.0022026 k( 213) = ( 0.0508475 0.0508475 0.0508475), wk = 0.0022026 k( 214) = ( 0.0593220 0.0593220 0.0593220), wk = 0.0022026 k( 215) = ( 0.0677966 0.0677966 0.0677966), wk = 0.0022026 k( 216) = ( 0.0762712 0.0762712 0.0762712), wk = 0.0022026 k( 217) = ( 0.0847458 0.0847458 0.0847458), wk = 0.0022026 k( 218) = ( 0.0932203 0.0932203 0.0932203), wk = 0.0022026 k( 219) = ( 0.1016949 0.1016949 0.1016949), wk = 0.0022026 k( 220) = ( 0.1101695 0.1101695 0.1101695), wk = 0.0022026 k( 221) = ( 0.1186441 0.1186441 0.1186441), wk = 0.0022026 k( 222) = ( 0.1271186 0.1271186 0.1271186), wk = 0.0022026 k( 223) = ( 0.1355932 0.1355932 0.1355932), wk = 0.0022026 k( 224) = ( 0.1440678 0.1440678 0.1440678), wk = 0.0022026 k( 225) = ( 0.1525424 0.1525424 0.1525424), wk = 0.0022026 k( 226) = ( 0.1610169 0.1610169 0.1610169), wk = 0.0022026 k( 227) = ( 0.1694915 0.1694915 0.1694915), wk = 0.0022026 k( 228) = ( 0.1779661 0.1779661 0.1779661), wk = 0.0022026 k( 229) = ( 0.1864407 0.1864407 0.1864407), wk = 0.0022026 k( 230) = ( 0.1949153 0.1949153 0.1949152), wk = 0.0022026 k( 231) = ( 0.2033898 0.2033898 0.2033898), wk = 0.0022026 k( 232) = ( 0.2118644 0.2118644 0.2118644), wk = 0.0022026 k( 233) = ( 0.2203390 0.2203390 0.2203390), wk = 0.0022026 k( 234) = ( 0.2288136 0.2288136 0.2288136), wk = 0.0022026 k( 235) = ( 0.2372881 0.2372881 0.2372881), wk = 0.0022026 k( 236) = ( 0.2457627 0.2457627 0.2457627), wk = 0.0022026 k( 237) = ( 0.2542373 0.2542373 0.2542373), wk = 0.0022026 k( 238) = ( 0.2627119 0.2627119 0.2627119), wk = 0.0022026 k( 239) = ( 0.2711864 0.2711864 0.2711864), wk = 0.0022026 k( 240) = ( 0.2796610 0.2796610 0.2796610), wk = 0.0022026 k( 241) = ( 0.2881356 0.2881356 0.2881356), wk = 0.0022026 k( 242) = ( 0.2966102 0.2966102 0.2966102), wk = 0.0022026 k( 243) = ( 0.3050848 0.3050848 0.3050847), wk = 0.0022026 k( 244) = ( 0.3135593 0.3135593 0.3135593), wk = 0.0022026 k( 245) = ( 0.3220339 0.3220339 0.3220339), wk = 0.0022026 k( 246) = ( 0.3305085 0.3305085 0.3305085), wk = 0.0022026 k( 247) = ( 0.3389831 0.3389831 0.3389830), wk = 0.0022026 k( 248) = ( 0.3474576 0.3474576 0.3474576), wk = 0.0022026 k( 249) = ( 0.3559322 0.3559322 0.3559322), wk = 0.0022026 k( 250) = ( 0.3644068 0.3644068 0.3644068), wk = 0.0022026 k( 251) = ( 0.3728814 0.3728814 0.3728814), wk = 0.0022026 k( 252) = ( 0.3813559 0.3813559 0.3813559), wk = 0.0022026 k( 253) = ( 0.3898305 0.3898305 0.3898305), wk = 0.0022026 k( 254) = ( 0.3983051 0.3983051 0.3983051), wk = 0.0022026 k( 255) = ( 0.4067797 0.4067797 0.4067797), wk = 0.0022026 k( 256) = ( 0.4152542 0.4152542 0.4152542), wk = 0.0022026 k( 257) = ( 0.4237288 0.4237288 0.4237288), wk = 0.0022026 k( 258) = ( 0.4322034 0.4322034 0.4322034), wk = 0.0022026 k( 259) = ( 0.4406780 0.4406780 0.4406780), wk = 0.0022026 k( 260) = ( 0.4491525 0.4491525 0.4491525), wk = 0.0022026 k( 261) = ( 0.4576271 0.4576271 0.4576271), wk = 0.0022026 k( 262) = ( 0.4661017 0.4661017 0.4661017), wk = 0.0022026 k( 263) = ( 0.4745763 0.4745763 0.4745763), wk = 0.0022026 k( 264) = ( 0.4830508 0.4830509 0.4830508), wk = 0.0022026 k( 265) = ( 0.4915254 0.4915254 0.4915254), wk = 0.0022026 k( 266) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022026 k( 267) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022026 k( 268) = ( 0.5029762 0.4940476 0.5029762), wk = 0.0022026 k( 269) = ( 0.5059524 0.4880952 0.5059524), wk = 0.0022026 k( 270) = ( 0.5089286 0.4821429 0.5089286), wk = 0.0022026 k( 271) = ( 0.5119048 0.4761905 0.5119048), wk = 0.0022026 k( 272) = ( 0.5148810 0.4702381 0.5148810), wk = 0.0022026 k( 273) = ( 0.5178571 0.4642857 0.5178571), wk = 0.0022026 k( 274) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0022026 k( 275) = ( 0.5238095 0.4523810 0.5238095), wk = 0.0022026 k( 276) = ( 0.5267857 0.4464286 0.5267857), wk = 0.0022026 k( 277) = ( 0.5297619 0.4404762 0.5297619), wk = 0.0022026 k( 278) = ( 0.5327381 0.4345238 0.5327381), wk = 0.0022026 k( 279) = ( 0.5357143 0.4285714 0.5357143), wk = 0.0022026 k( 280) = ( 0.5386905 0.4226190 0.5386905), wk = 0.0022026 k( 281) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0022026 k( 282) = ( 0.5446429 0.4107143 0.5446429), wk = 0.0022026 k( 283) = ( 0.5476190 0.4047619 0.5476190), wk = 0.0022026 k( 284) = ( 0.5505952 0.3988095 0.5505952), wk = 0.0022026 k( 285) = ( 0.5535714 0.3928571 0.5535714), wk = 0.0022026 k( 286) = ( 0.5565476 0.3869048 0.5565476), wk = 0.0022026 k( 287) = ( 0.5595238 0.3809524 0.5595238), wk = 0.0022026 k( 288) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0022026 k( 289) = ( 0.5654762 0.3690476 0.5654762), wk = 0.0022026 k( 290) = ( 0.5684524 0.3630952 0.5684524), wk = 0.0022026 k( 291) = ( 0.5714286 0.3571429 0.5714286), wk = 0.0022026 k( 292) = ( 0.5744048 0.3511905 0.5744048), wk = 0.0022026 k( 293) = ( 0.5773810 0.3452381 0.5773810), wk = 0.0022026 k( 294) = ( 0.5803571 0.3392857 0.5803571), wk = 0.0022026 k( 295) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0022026 k( 296) = ( 0.5863095 0.3273810 0.5863095), wk = 0.0022026 k( 297) = ( 0.5892857 0.3214286 0.5892857), wk = 0.0022026 k( 298) = ( 0.5922619 0.3154762 0.5922619), wk = 0.0022026 k( 299) = ( 0.5952381 0.3095238 0.5952381), wk = 0.0022026 k( 300) = ( 0.5982143 0.3035714 0.5982143), wk = 0.0022026 k( 301) = ( 0.6011905 0.2976190 0.6011905), wk = 0.0022026 k( 302) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0022026 k( 303) = ( 0.6071429 0.2857143 0.6071429), wk = 0.0022026 k( 304) = ( 0.6101190 0.2797619 0.6101190), wk = 0.0022026 k( 305) = ( 0.6130952 0.2738095 0.6130952), wk = 0.0022026 k( 306) = ( 0.6160714 0.2678571 0.6160714), wk = 0.0022026 k( 307) = ( 0.6190476 0.2619048 0.6190476), wk = 0.0022026 k( 308) = ( 0.6220238 0.2559524 0.6220238), wk = 0.0022026 k( 309) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022026 k( 310) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022026 k( 311) = ( 0.6200000 0.2500000 0.6300000), wk = 0.0022026 k( 312) = ( 0.6150000 0.2500000 0.6350000), wk = 0.0022026 k( 313) = ( 0.6100000 0.2500000 0.6400000), wk = 0.0022026 k( 314) = ( 0.6050000 0.2500000 0.6450000), wk = 0.0022026 k( 315) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0022026 k( 316) = ( 0.5950000 0.2500000 0.6550000), wk = 0.0022026 k( 317) = ( 0.5900000 0.2500000 0.6600000), wk = 0.0022026 k( 318) = ( 0.5850000 0.2500000 0.6650000), wk = 0.0022026 k( 319) = ( 0.5800000 0.2500000 0.6700000), wk = 0.0022026 k( 320) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0022026 k( 321) = ( 0.5700000 0.2500000 0.6800000), wk = 0.0022026 k( 322) = ( 0.5650000 0.2500000 0.6850000), wk = 0.0022026 k( 323) = ( 0.5600000 0.2500000 0.6900000), wk = 0.0022026 k( 324) = ( 0.5550000 0.2500000 0.6950000), wk = 0.0022026 k( 325) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0022026 k( 326) = ( 0.5450000 0.2500000 0.7050000), wk = 0.0022026 k( 327) = ( 0.5400000 0.2500000 0.7100000), wk = 0.0022026 k( 328) = ( 0.5350000 0.2500000 0.7150000), wk = 0.0022026 k( 329) = ( 0.5300000 0.2500000 0.7200000), wk = 0.0022026 k( 330) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0022026 k( 331) = ( 0.5200000 0.2500000 0.7300000), wk = 0.0022026 k( 332) = ( 0.5150000 0.2500000 0.7350000), wk = 0.0022026 k( 333) = ( 0.5100000 0.2500000 0.7400000), wk = 0.0022026 k( 334) = ( 0.5050000 0.2500000 0.7450000), wk = 0.0022026 k( 335) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022026 k( 336) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022026 k( 337) = ( 0.5000000 0.2551020 0.7448980), wk = 0.0022026 k( 338) = ( 0.5000000 0.2602041 0.7397959), wk = 0.0022026 k( 339) = ( 0.5000000 0.2653061 0.7346939), wk = 0.0022026 k( 340) = ( 0.5000000 0.2704082 0.7295918), wk = 0.0022026 k( 341) = ( 0.5000000 0.2755102 0.7244898), wk = 0.0022026 k( 342) = ( 0.5000000 0.2806122 0.7193878), wk = 0.0022026 k( 343) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0022026 k( 344) = ( 0.5000000 0.2908163 0.7091837), wk = 0.0022026 k( 345) = ( 0.5000000 0.2959184 0.7040816), wk = 0.0022026 k( 346) = ( 0.5000000 0.3010204 0.6989796), wk = 0.0022026 k( 347) = ( 0.5000000 0.3061224 0.6938775), wk = 0.0022026 k( 348) = ( 0.5000000 0.3112245 0.6887755), wk = 0.0022026 k( 349) = ( 0.5000000 0.3163265 0.6836735), wk = 0.0022026 k( 350) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0022026 k( 351) = ( 0.5000000 0.3265306 0.6734694), wk = 0.0022026 k( 352) = ( 0.5000000 0.3316326 0.6683673), wk = 0.0022026 k( 353) = ( 0.5000000 0.3367347 0.6632653), wk = 0.0022026 k( 354) = ( 0.5000000 0.3418367 0.6581633), wk = 0.0022026 k( 355) = ( 0.5000000 0.3469388 0.6530612), wk = 0.0022026 k( 356) = ( 0.5000000 0.3520408 0.6479592), wk = 0.0022026 k( 357) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0022026 k( 358) = ( 0.5000000 0.3622449 0.6377551), wk = 0.0022026 k( 359) = ( 0.5000000 0.3673469 0.6326531), wk = 0.0022026 k( 360) = ( 0.5000000 0.3724490 0.6275510), wk = 0.0022026 k( 361) = ( 0.5000000 0.3775510 0.6224490), wk = 0.0022026 k( 362) = ( 0.5000000 0.3826531 0.6173469), wk = 0.0022026 k( 363) = ( 0.5000000 0.3877551 0.6122449), wk = 0.0022026 k( 364) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0022026 k( 365) = ( 0.5000000 0.3979592 0.6020408), wk = 0.0022026 k( 366) = ( 0.5000000 0.4030612 0.5969388), wk = 0.0022026 k( 367) = ( 0.5000000 0.4081633 0.5918367), wk = 0.0022026 k( 368) = ( 0.5000000 0.4132653 0.5867347), wk = 0.0022026 k( 369) = ( 0.5000000 0.4183674 0.5816326), wk = 0.0022026 k( 370) = ( 0.5000000 0.4234694 0.5765306), wk = 0.0022026 k( 371) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0022026 k( 372) = ( 0.5000000 0.4336735 0.5663265), wk = 0.0022026 k( 373) = ( 0.5000000 0.4387755 0.5612245), wk = 0.0022026 k( 374) = ( 0.5000000 0.4438776 0.5561224), wk = 0.0022026 k( 375) = ( 0.5000000 0.4489796 0.5510204), wk = 0.0022026 k( 376) = ( 0.5000000 0.4540816 0.5459184), wk = 0.0022026 k( 377) = ( 0.5000000 0.4591837 0.5408163), wk = 0.0022026 k( 378) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0022026 k( 379) = ( 0.5000000 0.4693878 0.5306122), wk = 0.0022026 k( 380) = ( 0.5000000 0.4744898 0.5255102), wk = 0.0022026 k( 381) = ( 0.5000000 0.4795918 0.5204082), wk = 0.0022026 k( 382) = ( 0.5000000 0.4846939 0.5153061), wk = 0.0022026 k( 383) = ( 0.5000000 0.4897959 0.5102041), wk = 0.0022026 k( 384) = ( 0.5000000 0.4948980 0.5051020), wk = 0.0022026 k( 385) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022026 k( 386) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022026 k( 387) = ( 0.4970238 0.4970238 0.5059524), wk = 0.0022026 k( 388) = ( 0.4940476 0.4940476 0.5119048), wk = 0.0022026 k( 389) = ( 0.4910714 0.4910714 0.5178571), wk = 0.0022026 k( 390) = ( 0.4880952 0.4880952 0.5238095), wk = 0.0022026 k( 391) = ( 0.4851190 0.4851190 0.5297619), wk = 0.0022026 k( 392) = ( 0.4821429 0.4821429 0.5357143), wk = 0.0022026 k( 393) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0022026 k( 394) = ( 0.4761905 0.4761905 0.5476190), wk = 0.0022026 k( 395) = ( 0.4732143 0.4732143 0.5535714), wk = 0.0022026 k( 396) = ( 0.4702381 0.4702381 0.5595238), wk = 0.0022026 k( 397) = ( 0.4672619 0.4672619 0.5654762), wk = 0.0022026 k( 398) = ( 0.4642857 0.4642857 0.5714286), wk = 0.0022026 k( 399) = ( 0.4613095 0.4613095 0.5773810), wk = 0.0022026 k( 400) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0022026 k( 401) = ( 0.4553571 0.4553571 0.5892857), wk = 0.0022026 k( 402) = ( 0.4523810 0.4523810 0.5952381), wk = 0.0022026 k( 403) = ( 0.4494048 0.4494048 0.6011905), wk = 0.0022026 k( 404) = ( 0.4464286 0.4464286 0.6071429), wk = 0.0022026 k( 405) = ( 0.4434524 0.4434524 0.6130952), wk = 0.0022026 k( 406) = ( 0.4404762 0.4404762 0.6190476), wk = 0.0022026 k( 407) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0022026 k( 408) = ( 0.4345238 0.4345238 0.6309524), wk = 0.0022026 k( 409) = ( 0.4315476 0.4315476 0.6369048), wk = 0.0022026 k( 410) = ( 0.4285714 0.4285714 0.6428571), wk = 0.0022026 k( 411) = ( 0.4255952 0.4255952 0.6488095), wk = 0.0022026 k( 412) = ( 0.4226190 0.4226190 0.6547619), wk = 0.0022026 k( 413) = ( 0.4196429 0.4196429 0.6607143), wk = 0.0022026 k( 414) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0022026 k( 415) = ( 0.4136905 0.4136905 0.6726190), wk = 0.0022026 k( 416) = ( 0.4107143 0.4107143 0.6785714), wk = 0.0022026 k( 417) = ( 0.4077381 0.4077381 0.6845238), wk = 0.0022026 k( 418) = ( 0.4047619 0.4047619 0.6904762), wk = 0.0022026 k( 419) = ( 0.4017857 0.4017857 0.6964286), wk = 0.0022026 k( 420) = ( 0.3988095 0.3988095 0.7023810), wk = 0.0022026 k( 421) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0022026 k( 422) = ( 0.3928571 0.3928571 0.7142857), wk = 0.0022026 k( 423) = ( 0.3898810 0.3898810 0.7202381), wk = 0.0022026 k( 424) = ( 0.3869048 0.3869048 0.7261905), wk = 0.0022026 k( 425) = ( 0.3839286 0.3839286 0.7321429), wk = 0.0022026 k( 426) = ( 0.3809524 0.3809524 0.7380952), wk = 0.0022026 k( 427) = ( 0.3779762 0.3779762 0.7440476), wk = 0.0022026 k( 428) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022026 k( 429) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022026 k( 430) = ( 0.6200000 0.2400000 0.6200000), wk = 0.0022026 k( 431) = ( 0.6150000 0.2300000 0.6150000), wk = 0.0022026 k( 432) = ( 0.6100000 0.2200000 0.6100000), wk = 0.0022026 k( 433) = ( 0.6050000 0.2100000 0.6050000), wk = 0.0022026 k( 434) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0022026 k( 435) = ( 0.5950000 0.1900000 0.5950000), wk = 0.0022026 k( 436) = ( 0.5900000 0.1800000 0.5900000), wk = 0.0022026 k( 437) = ( 0.5850000 0.1700000 0.5850000), wk = 0.0022026 k( 438) = ( 0.5800000 0.1600000 0.5800000), wk = 0.0022026 k( 439) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0022026 k( 440) = ( 0.5700000 0.1400000 0.5700000), wk = 0.0022026 k( 441) = ( 0.5650000 0.1300000 0.5650000), wk = 0.0022026 k( 442) = ( 0.5600000 0.1200000 0.5600000), wk = 0.0022026 k( 443) = ( 0.5550000 0.1100000 0.5550000), wk = 0.0022026 k( 444) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0022026 k( 445) = ( 0.5450000 0.0900000 0.5450000), wk = 0.0022026 k( 446) = ( 0.5400000 0.0800000 0.5400000), wk = 0.0022026 k( 447) = ( 0.5350000 0.0700000 0.5350000), wk = 0.0022026 k( 448) = ( 0.5300000 0.0600000 0.5300000), wk = 0.0022026 k( 449) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0022026 k( 450) = ( 0.5200000 0.0400000 0.5200000), wk = 0.0022026 k( 451) = ( 0.5150000 0.0300000 0.5150000), wk = 0.0022026 k( 452) = ( 0.5100000 0.0200000 0.5100000), wk = 0.0022026 k( 453) = ( 0.5050000 0.0100000 0.5050000), wk = 0.0022026 k( 454) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022026 Dense grid: 16361 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 7239 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 44, 26) NL pseudopotentials 0.02 Mb ( 22, 48) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 339) G-vector shells 0.00 Mb ( 135) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.07 Mb ( 44, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.04 Mb ( 48, 2, 26) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ZnO.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.7 secs Computing kpt #: 2 total cpu time spent up to now is 40.9 secs Computing kpt #: 3 total cpu time spent up to now is 41.1 secs Computing kpt #: 4 total cpu time spent up to now is 41.3 secs Computing kpt #: 5 total cpu time spent up to now is 41.5 secs Computing kpt #: 6 total cpu time spent up to now is 41.7 secs Computing kpt #: 7 total cpu time spent up to now is 41.9 secs Computing kpt #: 8 total cpu time spent up to now is 43.5 secs Computing kpt #: 9 total cpu time spent up to now is 43.7 secs Computing kpt #: 10 total cpu time spent up to now is 43.9 secs Computing kpt #: 11 total cpu time spent up to now is 44.1 secs Computing kpt #: 12 total cpu time spent up to now is 44.3 secs Computing kpt #: 13 total cpu time spent up to now is 44.5 secs Computing kpt #: 14 total cpu time spent up to now is 44.9 secs Computing kpt #: 15 total cpu time spent up to now is 45.1 secs Computing kpt #: 16 total cpu time spent up to now is 45.3 secs Computing kpt #: 17 total cpu time spent up to now is 45.5 secs Computing kpt #: 18 total cpu time spent up to now is 45.7 secs Computing kpt #: 19 total cpu time spent up to now is 45.9 secs Computing kpt #: 20 total cpu time spent up to now is 46.1 secs Computing kpt #: 21 total cpu time spent up to now is 46.3 secs Computing kpt #: 22 total cpu time spent up to now is 46.5 secs Computing kpt #: 23 total cpu time spent up to now is 46.8 secs Computing kpt #: 24 total cpu time spent up to now is 47.0 secs Computing kpt #: 25 total cpu time spent up to now is 47.2 secs Computing kpt #: 26 total cpu time spent up to now is 47.4 secs Computing kpt #: 27 total cpu time spent up to now is 47.6 secs Computing kpt #: 28 total cpu time spent up to now is 47.9 secs Computing kpt #: 29 total cpu time spent up to now is 48.1 secs Computing kpt #: 30 total cpu time spent up to now is 48.3 secs Computing kpt #: 31 total cpu time spent up to now is 48.5 secs Computing kpt #: 32 total cpu time spent up to now is 48.7 secs Computing kpt #: 33 total cpu time spent up to now is 49.0 secs Computing kpt #: 34 total cpu time spent up to now is 49.3 secs Computing kpt #: 35 total cpu time spent up to now is 49.5 secs Computing kpt #: 36 total cpu time spent up to now is 49.8 secs Computing kpt #: 37 total cpu time spent up to now is 50.1 secs Computing kpt #: 38 total cpu time spent up to now is 50.3 secs Computing kpt #: 39 total cpu time spent up to now is 50.6 secs Computing kpt #: 40 total cpu time spent up to now is 50.9 secs Computing kpt #: 41 total cpu time spent up to now is 51.2 secs Computing kpt #: 42 total cpu time spent up to now is 51.5 secs Computing kpt #: 43 total cpu time spent up to now is 51.7 secs Computing kpt #: 44 total cpu time spent up to now is 52.0 secs Computing kpt #: 45 total cpu time spent up to now is 52.6 secs Computing kpt #: 46 total cpu time spent up to now is 52.9 secs Computing kpt #: 47 total cpu time spent up to now is 53.1 secs Computing kpt #: 48 total cpu time spent up to now is 53.4 secs Computing kpt #: 49 total cpu time spent up to now is 53.6 secs Computing kpt #: 50 total cpu time spent up to now is 53.9 secs Computing kpt #: 51 total cpu time spent up to now is 54.1 secs Computing kpt #: 52 total cpu time spent up to now is 54.4 secs Computing kpt #: 53 total cpu time spent up to now is 54.6 secs Computing kpt #: 54 total cpu time spent up to now is 54.9 secs Computing kpt #: 55 total cpu time spent up to now is 55.1 secs Computing kpt #: 56 total cpu time spent up to now is 55.3 secs Computing kpt #: 57 total cpu time spent up to now is 55.6 secs Computing kpt #: 58 total cpu time spent up to now is 55.8 secs Computing kpt #: 59 total cpu time spent up to now is 56.1 secs Computing kpt #: 60 total cpu time spent up to now is 56.3 secs Computing kpt #: 61 total cpu time spent up to now is 56.6 secs Computing kpt #: 62 total cpu time spent up to now is 56.8 secs Computing kpt #: 63 total cpu time spent up to now is 57.1 secs Computing kpt #: 64 total cpu time spent up to now is 57.4 secs Computing kpt #: 65 total cpu time spent up to now is 57.6 secs Computing kpt #: 66 total cpu time spent up to now is 57.8 secs Computing kpt #: 67 total cpu time spent up to now is 58.0 secs Computing kpt #: 68 total cpu time spent up to now is 58.2 secs Computing kpt #: 69 total cpu time spent up to now is 58.6 secs Computing kpt #: 70 total cpu time spent up to now is 58.8 secs Computing kpt #: 71 total cpu time spent up to now is 59.0 secs Computing kpt #: 72 total cpu time spent up to now is 59.2 secs Computing kpt #: 73 total cpu time spent up to now is 59.5 secs Computing kpt #: 74 total cpu time spent up to now is 59.7 secs Computing kpt #: 75 total cpu time spent up to now is 59.9 secs Computing kpt #: 76 total cpu time spent up to now is 60.1 secs Computing kpt #: 77 total cpu time spent up to now is 60.3 secs Computing kpt #: 78 total cpu time spent up to now is 60.5 secs Computing kpt #: 79 total cpu time spent up to now is 60.7 secs Computing kpt #: 80 total cpu time spent up to now is 60.9 secs Computing kpt #: 81 total cpu time spent up to now is 61.2 secs Computing kpt #: 82 total cpu time spent up to now is 61.4 secs Computing kpt #: 83 total cpu time spent up to now is 61.9 secs Computing kpt #: 84 total cpu time spent up to now is 62.1 secs Computing kpt #: 85 total cpu time spent up to now is 62.6 secs Computing kpt #: 86 total cpu time spent up to now is 63.0 secs Computing kpt #: 87 total cpu time spent up to now is 63.4 secs Computing kpt #: 88 total cpu time spent up to now is 64.0 secs Computing kpt #: 89 total cpu time spent up to now is 64.4 secs Computing kpt #: 90 total cpu time spent up to now is 64.7 secs Computing kpt #: 91 total cpu time spent up to now is 65.0 secs Computing kpt #: 92 total cpu time spent up to now is 65.2 secs Computing kpt #: 93 total cpu time spent up to now is 65.5 secs Computing kpt #: 94 total cpu time spent up to now is 65.8 secs Computing kpt #: 95 total cpu time spent up to now is 66.0 secs Computing kpt #: 96 total cpu time spent up to now is 66.2 secs Computing kpt #: 97 total cpu time spent up to now is 66.5 secs Computing kpt #: 98 total cpu time spent up to now is 66.7 secs Computing kpt #: 99 total cpu time spent up to now is 66.9 secs Computing kpt #: 100 total cpu time spent up to now is 67.1 secs Computing kpt #: 101 total cpu time spent up to now is 67.3 secs Computing kpt #: 102 total cpu time spent up to now is 67.5 secs Computing kpt #: 103 total cpu time spent up to now is 67.7 secs Computing kpt #: 104 total cpu time spent up to now is 67.9 secs Computing kpt #: 105 total cpu time spent up to now is 68.1 secs Computing kpt #: 106 total cpu time spent up to now is 68.3 secs Computing kpt #: 107 total cpu time spent up to now is 68.5 secs Computing kpt #: 108 total cpu time spent up to now is 68.7 secs Computing kpt #: 109 total cpu time spent up to now is 68.8 secs Computing kpt #: 110 total cpu time spent up to now is 69.0 secs Computing kpt #: 111 total cpu time spent up to now is 69.2 secs Computing kpt #: 112 total cpu time spent up to now is 69.4 secs Computing kpt #: 113 total cpu time spent up to now is 69.6 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 70.2 secs Computing kpt #: 116 total cpu time spent up to now is 70.5 secs Computing kpt #: 117 total cpu time spent up to now is 70.7 secs Computing kpt #: 118 total cpu time spent up to now is 71.0 secs Computing kpt #: 119 total cpu time spent up to now is 71.2 secs Computing kpt #: 120 total cpu time spent up to now is 71.8 secs Computing kpt #: 121 total cpu time spent up to now is 72.1 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 73.3 secs Computing kpt #: 126 total cpu time spent up to now is 73.5 secs Computing kpt #: 127 total cpu time spent up to now is 73.7 secs Computing kpt #: 128 total cpu time spent up to now is 74.1 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 74.7 secs Computing kpt #: 131 total cpu time spent up to now is 75.0 secs Computing kpt #: 132 total cpu time spent up to now is 75.2 secs Computing kpt #: 133 total cpu time spent up to now is 75.4 secs Computing kpt #: 134 total cpu time spent up to now is 75.6 secs Computing kpt #: 135 total cpu time spent up to now is 75.8 secs Computing kpt #: 136 total cpu time spent up to now is 76.0 secs Computing kpt #: 137 total cpu time spent up to now is 76.2 secs Computing kpt #: 138 total cpu time spent up to now is 76.4 secs Computing kpt #: 139 total cpu time spent up to now is 76.6 secs Computing kpt #: 140 total cpu time spent up to now is 76.9 secs Computing kpt #: 141 total cpu time spent up to now is 77.1 secs Computing kpt #: 142 total cpu time spent up to now is 77.3 secs Computing kpt #: 143 total cpu time spent up to now is 77.6 secs Computing kpt #: 144 total cpu time spent up to now is 77.9 secs Computing kpt #: 145 total cpu time spent up to now is 78.2 secs Computing kpt #: 146 total cpu time spent up to now is 78.4 secs Computing kpt #: 147 total cpu time spent up to now is 78.6 secs Computing kpt #: 148 total cpu time spent up to now is 78.9 secs Computing kpt #: 149 total cpu time spent up to now is 79.1 secs Computing kpt #: 150 total cpu time spent up to now is 79.3 secs Computing kpt #: 151 total cpu time spent up to now is 79.5 secs Computing kpt #: 152 total cpu time spent up to now is 79.8 secs Computing kpt #: 153 total cpu time spent up to now is 80.0 secs Computing kpt #: 154 total cpu time spent up to now is 80.2 secs Computing kpt #: 155 total cpu time spent up to now is 80.4 secs Computing kpt #: 156 total cpu time spent up to now is 80.6 secs Computing kpt #: 157 total cpu time spent up to now is 80.8 secs Computing kpt #: 158 total cpu time spent up to now is 81.0 secs Computing kpt #: 159 total cpu time spent up to now is 81.2 secs Computing kpt #: 160 total cpu time spent up to now is 81.4 secs Computing kpt #: 161 total cpu time spent up to now is 81.6 secs Computing kpt #: 162 total cpu time spent up to now is 81.8 secs Computing kpt #: 163 total cpu time spent up to now is 82.0 secs Computing kpt #: 164 total cpu time spent up to now is 82.2 secs Computing kpt #: 165 total cpu time spent up to now is 82.7 secs Computing kpt #: 166 total cpu time spent up to now is 83.1 secs Computing kpt #: 167 total cpu time spent up to now is 83.9 secs Computing kpt #: 168 total cpu time spent up to now is 84.2 secs Computing kpt #: 169 total cpu time spent up to now is 84.6 secs Computing kpt #: 170 total cpu time spent up to now is 84.8 secs Computing kpt #: 171 total cpu time spent up to now is 85.0 secs Computing kpt #: 172 total cpu time spent up to now is 85.3 secs Computing kpt #: 173 total cpu time spent up to now is 85.5 secs Computing kpt #: 174 total cpu time spent up to now is 85.8 secs Computing kpt #: 175 total cpu time spent up to now is 86.0 secs Computing kpt #: 176 total cpu time spent up to now is 86.3 secs Computing kpt #: 177 total cpu time spent up to now is 86.5 secs Computing kpt #: 178 total cpu time spent up to now is 86.8 secs Computing kpt #: 179 total cpu time spent up to now is 87.0 secs Computing kpt #: 180 total cpu time spent up to now is 87.2 secs Computing kpt #: 181 total cpu time spent up to now is 87.4 secs Computing kpt #: 182 total cpu time spent up to now is 87.6 secs Computing kpt #: 183 total cpu time spent up to now is 87.9 secs Computing kpt #: 184 total cpu time spent up to now is 88.1 secs Computing kpt #: 185 total cpu time spent up to now is 88.3 secs Computing kpt #: 186 total cpu time spent up to now is 88.5 secs Computing kpt #: 187 total cpu time spent up to now is 88.7 secs Computing kpt #: 188 total cpu time spent up to now is 88.9 secs Computing kpt #: 189 total cpu time spent up to now is 89.1 secs Computing kpt #: 190 total cpu time spent up to now is 89.3 secs Computing kpt #: 191 total cpu time spent up to now is 89.5 secs Computing kpt #: 192 total cpu time spent up to now is 89.8 secs Computing kpt #: 193 total cpu time spent up to now is 90.1 secs Computing kpt #: 194 total cpu time spent up to now is 90.5 secs Computing kpt #: 195 total cpu time spent up to now is 90.8 secs Computing kpt #: 196 total cpu time spent up to now is 91.0 secs Computing kpt #: 197 total cpu time spent up to now is 91.3 secs Computing kpt #: 198 total cpu time spent up to now is 91.5 secs Computing kpt #: 199 total cpu time spent up to now is 91.7 secs Computing kpt #: 200 total cpu time spent up to now is 91.9 secs Computing kpt #: 201 total cpu time spent up to now is 92.2 secs Computing kpt #: 202 total cpu time spent up to now is 93.1 secs Computing kpt #: 203 total cpu time spent up to now is 93.5 secs Computing kpt #: 204 total cpu time spent up to now is 93.8 secs Computing kpt #: 205 total cpu time spent up to now is 94.1 secs Computing kpt #: 206 total cpu time spent up to now is 94.4 secs Computing kpt #: 207 total cpu time spent up to now is 94.9 secs Computing kpt #: 208 total cpu time spent up to now is 95.1 secs Computing kpt #: 209 total cpu time spent up to now is 95.3 secs Computing kpt #: 210 total cpu time spent up to now is 95.5 secs Computing kpt #: 211 total cpu time spent up to now is 96.0 secs Computing kpt #: 212 total cpu time spent up to now is 96.2 secs Computing kpt #: 213 total cpu time spent up to now is 96.4 secs Computing kpt #: 214 total cpu time spent up to now is 96.6 secs Computing kpt #: 215 total cpu time spent up to now is 96.8 secs Computing kpt #: 216 total cpu time spent up to now is 97.0 secs Computing kpt #: 217 total cpu time spent up to now is 97.5 secs Computing kpt #: 218 total cpu time spent up to now is 97.7 secs Computing kpt #: 219 total cpu time spent up to now is 98.0 secs Computing kpt #: 220 total cpu time spent up to now is 98.3 secs Computing kpt #: 221 total cpu time spent up to now is 98.6 secs Computing kpt #: 222 total cpu time spent up to now is 99.0 secs Computing kpt #: 223 total cpu time spent up to now is 99.3 secs Computing kpt #: 224 total cpu time spent up to now is 99.7 secs Computing kpt #: 225 total cpu time spent up to now is 100.1 secs Computing kpt #: 226 total cpu time spent up to now is 100.4 secs Computing kpt #: 227 total cpu time spent up to now is 100.7 secs Computing kpt #: 228 total cpu time spent up to now is 101.1 secs Computing kpt #: 229 total cpu time spent up to now is 101.4 secs Computing kpt #: 230 total cpu time spent up to now is 101.9 secs Computing kpt #: 231 total cpu time spent up to now is 102.1 secs Computing kpt #: 232 total cpu time spent up to now is 102.3 secs Computing kpt #: 233 total cpu time spent up to now is 102.5 secs Computing kpt #: 234 total cpu time spent up to now is 102.7 secs Computing kpt #: 235 total cpu time spent up to now is 102.9 secs Computing kpt #: 236 total cpu time spent up to now is 103.2 secs Computing kpt #: 237 total cpu time spent up to now is 103.4 secs Computing kpt #: 238 total cpu time spent up to now is 103.6 secs Computing kpt #: 239 total cpu time spent up to now is 103.8 secs Computing kpt #: 240 total cpu time spent up to now is 104.0 secs Computing kpt #: 241 total cpu time spent up to now is 104.5 secs Computing kpt #: 242 total cpu time spent up to now is 104.8 secs Computing kpt #: 243 total cpu time spent up to now is 105.1 secs Computing kpt #: 244 total cpu time spent up to now is 105.3 secs Computing kpt #: 245 total cpu time spent up to now is 105.5 secs Computing kpt #: 246 total cpu time spent up to now is 105.8 secs Computing kpt #: 247 total cpu time spent up to now is 106.0 secs Computing kpt #: 248 total cpu time spent up to now is 106.4 secs Computing kpt #: 249 total cpu time spent up to now is 106.6 secs Computing kpt #: 250 total cpu time spent up to now is 106.9 secs Computing kpt #: 251 total cpu time spent up to now is 107.2 secs Computing kpt #: 252 total cpu time spent up to now is 107.4 secs Computing kpt #: 253 total cpu time spent up to now is 108.1 secs Computing kpt #: 254 total cpu time spent up to now is 108.8 secs Computing kpt #: 255 total cpu time spent up to now is 109.1 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 109.9 secs Computing kpt #: 258 total cpu time spent up to now is 110.1 secs Computing kpt #: 259 total cpu time spent up to now is 110.3 secs Computing kpt #: 260 total cpu time spent up to now is 110.5 secs Computing kpt #: 261 total cpu time spent up to now is 110.7 secs Computing kpt #: 262 total cpu time spent up to now is 110.9 secs Computing kpt #: 263 total cpu time spent up to now is 111.1 secs Computing kpt #: 264 total cpu time spent up to now is 111.3 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 112.3 secs Computing kpt #: 267 total cpu time spent up to now is 112.5 secs Computing kpt #: 268 total cpu time spent up to now is 112.7 secs Computing kpt #: 269 total cpu time spent up to now is 112.9 secs Computing kpt #: 270 total cpu time spent up to now is 113.2 secs Computing kpt #: 271 total cpu time spent up to now is 114.1 secs Computing kpt #: 272 total cpu time spent up to now is 114.5 secs Computing kpt #: 273 total cpu time spent up to now is 114.7 secs Computing kpt #: 274 total cpu time spent up to now is 115.0 secs Computing kpt #: 275 total cpu time spent up to now is 115.6 secs Computing kpt #: 276 total cpu time spent up to now is 116.2 secs Computing kpt #: 277 total cpu time spent up to now is 116.6 secs Computing kpt #: 278 total cpu time spent up to now is 116.9 secs Computing kpt #: 279 total cpu time spent up to now is 117.4 secs Computing kpt #: 280 total cpu time spent up to now is 117.8 secs Computing kpt #: 281 total cpu time spent up to now is 118.4 secs Computing kpt #: 282 total cpu time spent up to now is 118.9 secs Computing kpt #: 283 total cpu time spent up to now is 119.2 secs Computing kpt #: 284 total cpu time spent up to now is 119.6 secs Computing kpt #: 285 total cpu time spent up to now is 119.9 secs Computing kpt #: 286 total cpu time spent up to now is 120.4 secs Computing kpt #: 287 total cpu time spent up to now is 120.7 secs Computing kpt #: 288 total cpu time spent up to now is 120.9 secs Computing kpt #: 289 total cpu time spent up to now is 121.2 secs Computing kpt #: 290 total cpu time spent up to now is 121.4 secs Computing kpt #: 291 total cpu time spent up to now is 121.7 secs Computing kpt #: 292 total cpu time spent up to now is 121.9 secs Computing kpt #: 293 total cpu time spent up to now is 122.1 secs Computing kpt #: 294 total cpu time spent up to now is 122.3 secs Computing kpt #: 295 total cpu time spent up to now is 122.5 secs Computing kpt #: 296 total cpu time spent up to now is 122.7 secs Computing kpt #: 297 total cpu time spent up to now is 123.2 secs Computing kpt #: 298 total cpu time spent up to now is 123.4 secs Computing kpt #: 299 total cpu time spent up to now is 123.6 secs Computing kpt #: 300 total cpu time spent up to now is 123.9 secs Computing kpt #: 301 total cpu time spent up to now is 124.3 secs Computing kpt #: 302 total cpu time spent up to now is 124.7 secs Computing kpt #: 303 total cpu time spent up to now is 124.9 secs Computing kpt #: 304 total cpu time spent up to now is 125.2 secs Computing kpt #: 305 total cpu time spent up to now is 125.4 secs Computing kpt #: 306 total cpu time spent up to now is 125.7 secs Computing kpt #: 307 total cpu time spent up to now is 125.9 secs Computing kpt #: 308 total cpu time spent up to now is 126.1 secs Computing kpt #: 309 total cpu time spent up to now is 126.4 secs Computing kpt #: 310 total cpu time spent up to now is 126.6 secs Computing kpt #: 311 total cpu time spent up to now is 126.9 secs Computing kpt #: 312 total cpu time spent up to now is 127.1 secs Computing kpt #: 313 total cpu time spent up to now is 127.3 secs Computing kpt #: 314 total cpu time spent up to now is 127.5 secs Computing kpt #: 315 total cpu time spent up to now is 127.8 secs Computing kpt #: 316 total cpu time spent up to now is 128.0 secs Computing kpt #: 317 total cpu time spent up to now is 128.2 secs Computing kpt #: 318 total cpu time spent up to now is 128.4 secs Computing kpt #: 319 total cpu time spent up to now is 128.6 secs Computing kpt #: 320 total cpu time spent up to now is 128.8 secs Computing kpt #: 321 total cpu time spent up to now is 129.0 secs Computing kpt #: 322 total cpu time spent up to now is 129.2 secs Computing kpt #: 323 total cpu time spent up to now is 129.7 secs Computing kpt #: 324 total cpu time spent up to now is 130.1 secs Computing kpt #: 325 total cpu time spent up to now is 130.3 secs Computing kpt #: 326 total cpu time spent up to now is 130.6 secs Computing kpt #: 327 total cpu time spent up to now is 130.8 secs Computing kpt #: 328 total cpu time spent up to now is 131.3 secs Computing kpt #: 329 total cpu time spent up to now is 131.6 secs Computing kpt #: 330 total cpu time spent up to now is 131.8 secs Computing kpt #: 331 total cpu time spent up to now is 132.1 secs Computing kpt #: 332 total cpu time spent up to now is 132.3 secs Computing kpt #: 333 total cpu time spent up to now is 132.5 secs Computing kpt #: 334 total cpu time spent up to now is 132.7 secs Computing kpt #: 335 total cpu time spent up to now is 132.9 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 133.3 secs Computing kpt #: 338 total cpu time spent up to now is 133.5 secs Computing kpt #: 339 total cpu time spent up to now is 133.7 secs Computing kpt #: 340 total cpu time spent up to now is 133.9 secs Computing kpt #: 341 total cpu time spent up to now is 134.1 secs Computing kpt #: 342 total cpu time spent up to now is 134.3 secs Computing kpt #: 343 total cpu time spent up to now is 134.5 secs Computing kpt #: 344 total cpu time spent up to now is 134.7 secs Computing kpt #: 345 total cpu time spent up to now is 134.9 secs Computing kpt #: 346 total cpu time spent up to now is 135.1 secs Computing kpt #: 347 total cpu time spent up to now is 135.3 secs Computing kpt #: 348 total cpu time spent up to now is 135.7 secs Computing kpt #: 349 total cpu time spent up to now is 136.0 secs Computing kpt #: 350 total cpu time spent up to now is 136.5 secs Computing kpt #: 351 total cpu time spent up to now is 137.3 secs Computing kpt #: 352 total cpu time spent up to now is 137.8 secs Computing kpt #: 353 total cpu time spent up to now is 138.1 secs Computing kpt #: 354 total cpu time spent up to now is 138.2 secs Computing kpt #: 355 total cpu time spent up to now is 138.5 secs Computing kpt #: 356 total cpu time spent up to now is 138.7 secs Computing kpt #: 357 total cpu time spent up to now is 139.0 secs Computing kpt #: 358 total cpu time spent up to now is 139.2 secs Computing kpt #: 359 total cpu time spent up to now is 139.5 secs Computing kpt #: 360 total cpu time spent up to now is 139.7 secs Computing kpt #: 361 total cpu time spent up to now is 139.9 secs Computing kpt #: 362 total cpu time spent up to now is 140.1 secs Computing kpt #: 363 total cpu time spent up to now is 140.3 secs Computing kpt #: 364 total cpu time spent up to now is 140.5 secs Computing kpt #: 365 total cpu time spent up to now is 140.7 secs Computing kpt #: 366 total cpu time spent up to now is 140.9 secs Computing kpt #: 367 total cpu time spent up to now is 141.1 secs Computing kpt #: 368 total cpu time spent up to now is 141.4 secs Computing kpt #: 369 total cpu time spent up to now is 141.6 secs Computing kpt #: 370 total cpu time spent up to now is 142.1 secs Computing kpt #: 371 total cpu time spent up to now is 142.4 secs Computing kpt #: 372 total cpu time spent up to now is 142.7 secs Computing kpt #: 373 total cpu time spent up to now is 143.0 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 144.0 secs Computing kpt #: 377 total cpu time spent up to now is 144.3 secs Computing kpt #: 378 total cpu time spent up to now is 144.5 secs Computing kpt #: 379 total cpu time spent up to now is 144.7 secs Computing kpt #: 380 total cpu time spent up to now is 145.0 secs Computing kpt #: 381 total cpu time spent up to now is 145.4 secs Computing kpt #: 382 total cpu time spent up to now is 146.0 secs Computing kpt #: 383 total cpu time spent up to now is 146.6 secs Computing kpt #: 384 total cpu time spent up to now is 146.8 secs Computing kpt #: 385 total cpu time spent up to now is 147.0 secs Computing kpt #: 386 total cpu time spent up to now is 147.2 secs Computing kpt #: 387 total cpu time spent up to now is 147.4 secs Computing kpt #: 388 total cpu time spent up to now is 147.6 secs Computing kpt #: 389 total cpu time spent up to now is 147.8 secs Computing kpt #: 390 total cpu time spent up to now is 148.0 secs Computing kpt #: 391 total cpu time spent up to now is 148.2 secs Computing kpt #: 392 total cpu time spent up to now is 148.4 secs Computing kpt #: 393 total cpu time spent up to now is 148.6 secs Computing kpt #: 394 total cpu time spent up to now is 148.8 secs Computing kpt #: 395 total cpu time spent up to now is 149.0 secs Computing kpt #: 396 total cpu time spent up to now is 149.6 secs Computing kpt #: 397 total cpu time spent up to now is 149.9 secs Computing kpt #: 398 total cpu time spent up to now is 150.2 secs Computing kpt #: 399 total cpu time spent up to now is 150.4 secs Computing kpt #: 400 total cpu time spent up to now is 150.6 secs Computing kpt #: 401 total cpu time spent up to now is 150.9 secs Computing kpt #: 402 total cpu time spent up to now is 151.2 secs Computing kpt #: 403 total cpu time spent up to now is 151.4 secs Computing kpt #: 404 total cpu time spent up to now is 151.6 secs Computing kpt #: 405 total cpu time spent up to now is 151.9 secs Computing kpt #: 406 total cpu time spent up to now is 152.1 secs Computing kpt #: 407 total cpu time spent up to now is 152.4 secs Computing kpt #: 408 total cpu time spent up to now is 152.6 secs Computing kpt #: 409 total cpu time spent up to now is 152.8 secs Computing kpt #: 410 total cpu time spent up to now is 153.0 secs Computing kpt #: 411 total cpu time spent up to now is 153.2 secs Computing kpt #: 412 total cpu time spent up to now is 153.4 secs Computing kpt #: 413 total cpu time spent up to now is 153.6 secs Computing kpt #: 414 total cpu time spent up to now is 153.9 secs Computing kpt #: 415 total cpu time spent up to now is 154.1 secs Computing kpt #: 416 total cpu time spent up to now is 154.4 secs Computing kpt #: 417 total cpu time spent up to now is 154.7 secs Computing kpt #: 418 total cpu time spent up to now is 154.9 secs Computing kpt #: 419 total cpu time spent up to now is 155.2 secs Computing kpt #: 420 total cpu time spent up to now is 156.0 secs Computing kpt #: 421 total cpu time spent up to now is 157.0 secs Computing kpt #: 422 total cpu time spent up to now is 157.5 secs Computing kpt #: 423 total cpu time spent up to now is 157.8 secs Computing kpt #: 424 total cpu time spent up to now is 158.3 secs Computing kpt #: 425 total cpu time spent up to now is 158.6 secs Computing kpt #: 426 total cpu time spent up to now is 158.9 secs Computing kpt #: 427 total cpu time spent up to now is 159.3 secs Computing kpt #: 428 total cpu time spent up to now is 159.5 secs Computing kpt #: 429 total cpu time spent up to now is 160.0 secs Computing kpt #: 430 total cpu time spent up to now is 160.3 secs Computing kpt #: 431 total cpu time spent up to now is 160.5 secs Computing kpt #: 432 total cpu time spent up to now is 160.7 secs Computing kpt #: 433 total cpu time spent up to now is 160.9 secs Computing kpt #: 434 total cpu time spent up to now is 161.1 secs Computing kpt #: 435 total cpu time spent up to now is 161.4 secs Computing kpt #: 436 total cpu time spent up to now is 161.6 secs Computing kpt #: 437 total cpu time spent up to now is 161.8 secs Computing kpt #: 438 total cpu time spent up to now is 162.1 secs Computing kpt #: 439 total cpu time spent up to now is 162.3 secs Computing kpt #: 440 total cpu time spent up to now is 162.6 secs Computing kpt #: 441 total cpu time spent up to now is 162.9 secs Computing kpt #: 442 total cpu time spent up to now is 163.3 secs Computing kpt #: 443 total cpu time spent up to now is 163.7 secs Computing kpt #: 444 total cpu time spent up to now is 164.1 secs Computing kpt #: 445 total cpu time spent up to now is 164.4 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 165.6 secs Computing kpt #: 449 total cpu time spent up to now is 165.9 secs Computing kpt #: 450 total cpu time spent up to now is 166.2 secs Computing kpt #: 451 total cpu time spent up to now is 166.5 secs Computing kpt #: 452 total cpu time spent up to now is 166.8 secs Computing kpt #: 453 total cpu time spent up to now is 167.3 secs Computing kpt #: 454 total cpu time spent up to now is 167.6 secs ethr = 5.56E-11, avg # of iterations = 12.8 total cpu time spent up to now is 167.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 893 PWs) bands (ev): -11.0335 -11.0335 1.1440 1.1440 1.1440 1.1440 1.2999 1.2999 2.4331 2.4331 2.4331 2.4331 6.7859 6.7859 6.7859 6.7859 6.8213 6.8213 7.4232 7.4232 19.8631 19.8631 20.1399 20.1399 20.1399 20.1399 k = 0.0072-0.0042 0.0059 ( 893 PWs) bands (ev): -11.0331 -11.0331 1.1431 1.1431 1.1449 1.1449 1.2999 1.2999 2.4317 2.4317 2.4345 2.4345 6.7777 6.7777 6.7849 6.7849 6.8176 6.8176 7.4355 7.4355 19.8614 19.8614 20.1364 20.1364 20.1397 20.1397 k = 0.0145-0.0084 0.0118 ( 901 PWs) bands (ev): -11.0319 -11.0319 1.1420 1.1420 1.1460 1.1460 1.2999 1.2999 2.4298 2.4298 2.4356 2.4356 6.7512 6.7512 6.7819 6.7819 6.8107 6.8107 7.4702 7.4702 19.8560 19.8560 20.1260 20.1260 20.1389 20.1389 k = 0.0217-0.0126 0.0177 ( 901 PWs) bands (ev): -11.0298 -11.0298 1.1407 1.1407 1.1476 1.1476 1.3000 1.3000 2.4281 2.4281 2.4369 2.4369 6.7086 6.7086 6.7770 6.7770 6.8037 6.8037 7.5223 7.5223 19.8463 19.8463 20.1096 20.1096 20.1376 20.1376 k = 0.0290-0.0167 0.0237 ( 901 PWs) bands (ev): -11.0268 -11.0268 1.1389 1.1389 1.1496 1.1496 1.3002 1.3002 2.4262 2.4262 2.4382 2.4382 6.6553 6.6553 6.7700 6.7700 6.7959 6.7959 7.5867 7.5867 19.8312 19.8312 20.0888 20.0888 20.1359 20.1359 k = 0.0362-0.0209 0.0296 ( 909 PWs) bands (ev): -11.0231 -11.0231 1.1367 1.1367 1.1519 1.1519 1.3005 1.3005 2.4240 2.4240 2.4392 2.4392 6.5958 6.5958 6.7611 6.7611 6.7866 6.7866 7.6598 7.6598 19.8091 19.8091 20.0656 20.0656 20.1337 20.1337 k = 0.0435-0.0251 0.0355 ( 909 PWs) bands (ev): -11.0185 -11.0185 1.1339 1.1339 1.1549 1.1549 1.3012 1.3012 2.4218 2.4218 2.4405 2.4405 6.5327 6.5327 6.7502 6.7502 6.7756 6.7756 7.7390 7.7390 19.7782 19.7782 20.0425 20.0425 20.1312 20.1312 k = 0.0507-0.0293 0.0414 ( 909 PWs) bands (ev): -11.0131 -11.0131 1.1305 1.1305 1.1584 1.1584 1.3021 1.3021 2.4193 2.4193 2.4419 2.4419 6.4676 6.4676 6.7374 6.7374 6.7628 6.7628 7.8228 7.8228 19.7370 19.7370 20.0216 20.0216 20.1285 20.1285 k = 0.0580-0.0335 0.0473 ( 909 PWs) bands (ev): -11.0069 -11.0069 1.1264 1.1264 1.1624 1.1624 1.3035 1.3035 2.4167 2.4167 2.4433 2.4433 6.4016 6.4016 6.7227 6.7227 6.7482 6.7482 7.9102 7.9102 19.6850 19.6850 20.0041 20.0041 20.1255 20.1255 k = 0.0652-0.0377 0.0532 ( 909 PWs) bands (ev): -10.9999 -10.9999 1.1215 1.1215 1.1669 1.1669 1.3053 1.3053 2.4138 2.4138 2.4448 2.4448 6.3354 6.3354 6.7061 6.7061 6.7317 6.7317 8.0004 8.0004 19.6230 19.6230 19.9900 19.9900 20.1224 20.1224 k = 0.0725-0.0418 0.0592 ( 909 PWs) bands (ev): -10.9921 -10.9921 1.1159 1.1159 1.1720 1.1720 1.3078 1.3078 2.4107 2.4107 2.4464 2.4464 6.2694 6.2694 6.6877 6.6877 6.7135 6.7135 8.0929 8.0929 19.5522 19.5522 19.9790 19.9790 20.1194 20.1194 k = 0.0797-0.0460 0.0651 ( 909 PWs) bands (ev): -10.9836 -10.9836 1.1095 1.1095 1.1775 1.1775 1.3108 1.3108 2.4074 2.4074 2.4480 2.4480 6.2038 6.2038 6.6675 6.6675 6.6935 6.6935 8.1875 8.1875 19.4738 19.4738 19.9704 19.9704 20.1164 20.1164 k = 0.0870-0.0502 0.0710 ( 909 PWs) bands (ev): -10.9743 -10.9743 1.1023 1.1023 1.1836 1.1836 1.3145 1.3145 2.4039 2.4039 2.4498 2.4498 6.1389 6.1389 6.6454 6.6454 6.6717 6.6717 8.2837 8.2837 19.3890 19.3890 19.9638 19.9638 20.1136 20.1136 k = 0.0942-0.0544 0.0769 ( 909 PWs) bands (ev): -10.9643 -10.9643 1.0943 1.0943 1.1903 1.1903 1.3188 1.3188 2.4002 2.4002 2.4517 2.4517 6.0748 6.0748 6.6217 6.6217 6.6482 6.6482 8.3814 8.3814 19.2991 19.2991 19.9588 19.9588 20.1110 20.1110 k = 0.1014-0.0586 0.0828 ( 909 PWs) bands (ev): -10.9536 -10.9536 1.0856 1.0856 1.1974 1.1974 1.3239 1.3239 2.3962 2.3962 2.4536 2.4536 6.0116 6.0116 6.5962 6.5962 6.6231 6.6231 8.4804 8.4804 19.2047 19.2047 19.9551 19.9551 20.1089 20.1089 k = 0.1087-0.0628 0.0887 ( 901 PWs) bands (ev): -10.9421 -10.9421 1.0763 1.0763 1.2053 1.2053 1.3299 1.3299 2.3921 2.3921 2.4557 2.4557 5.9493 5.9493 6.5692 6.5692 6.5963 6.5963 8.5805 8.5805 19.1066 19.1066 19.9526 19.9526 20.1073 20.1073 k = 0.1159-0.0669 0.0947 ( 901 PWs) bands (ev): -10.9301 -10.9301 1.0662 1.0662 1.2135 1.2135 1.3364 1.3364 2.3878 2.3878 2.4578 2.4578 5.8880 5.8880 6.5405 6.5405 6.5679 6.5679 8.6815 8.6815 19.0056 19.0056 19.9513 19.9513 20.1062 20.1062 k = 0.1232-0.0711 0.1006 ( 909 PWs) bands (ev): -10.9173 -10.9173 1.0554 1.0554 1.2222 1.2222 1.3435 1.3435 2.3831 2.3831 2.4598 2.4598 5.8276 5.8276 6.5102 6.5102 6.5380 6.5380 8.7834 8.7834 18.9020 18.9020 19.9510 19.9510 20.1058 20.1058 k = 0.1304-0.0753 0.1065 ( 909 PWs) bands (ev): -10.9039 -10.9039 1.0443 1.0443 1.2314 1.2314 1.3514 1.3514 2.3785 2.3785 2.4622 2.4622 5.7682 5.7682 6.4785 6.4785 6.5066 6.5066 8.8860 8.8860 18.7965 18.7965 19.9518 19.9518 20.1061 20.1061 k = 0.1377-0.0795 0.1124 ( 909 PWs) bands (ev): -10.8900 -10.8900 1.0327 1.0327 1.2412 1.2412 1.3599 1.3599 2.3737 2.3737 2.4646 2.4646 5.7097 5.7097 6.4453 6.4453 6.4738 6.4738 8.9891 8.9891 18.6894 18.6894 19.9537 19.9537 20.1073 20.1073 k = 0.1449-0.0837 0.1183 ( 909 PWs) bands (ev): -10.8754 -10.8754 1.0208 1.0208 1.2515 1.2515 1.3691 1.3691 2.3688 2.3688 2.4672 2.4672 5.6522 5.6522 6.4107 6.4107 6.4396 6.4396 9.0926 9.0926 18.5811 18.5811 19.9567 19.9567 20.1093 20.1093 k = 0.1522-0.0879 0.1242 ( 909 PWs) bands (ev): -10.8603 -10.8603 1.0086 1.0086 1.2622 1.2622 1.3789 1.3789 2.3638 2.3638 2.4699 2.4699 5.5955 5.5955 6.3748 6.3748 6.4041 6.4041 9.1965 9.1965 18.4718 18.4718 19.9608 19.9608 20.1123 20.1123 k = 0.1594-0.0920 0.1302 ( 905 PWs) bands (ev): -10.8447 -10.8447 0.9963 0.9963 1.2736 1.2736 1.3894 1.3894 2.3587 2.3587 2.4726 2.4726 5.5397 5.5397 6.3377 6.3377 6.3673 6.3673 9.3005 9.3005 18.3619 18.3619 19.9661 19.9661 20.1164 20.1164 k = 0.1667-0.0962 0.1361 ( 905 PWs) bands (ev): -10.8286 -10.8286 0.9837 0.9837 1.2854 1.2854 1.4004 1.4004 2.3535 2.3535 2.4755 2.4755 5.4847 5.4847 6.2994 6.2994 6.3293 6.3293 9.4046 9.4046 18.2517 18.2517 19.9725 19.9725 20.1214 20.1214 k = 0.1739-0.1004 0.1420 ( 909 PWs) bands (ev): -10.8121 -10.8121 0.9710 0.9710 1.2975 1.2975 1.4120 1.4120 2.3483 2.3483 2.4784 2.4784 5.4305 5.4305 6.2599 6.2599 6.2902 6.2902 9.5086 9.5086 18.1413 18.1413 19.9800 19.9800 20.1275 20.1275 k = 0.1812-0.1046 0.1479 ( 909 PWs) bands (ev): -10.7951 -10.7951 0.9584 0.9584 1.3103 1.3103 1.4241 1.4241 2.3431 2.3431 2.4815 2.4815 5.3770 5.3770 6.2194 6.2194 6.2500 6.2500 9.6124 9.6124 18.0311 18.0311 19.9887 19.9887 20.1348 20.1348 k = 0.1884-0.1088 0.1538 ( 909 PWs) bands (ev): -10.7778 -10.7778 0.9458 0.9458 1.3235 1.3235 1.4369 1.4369 2.3380 2.3380 2.4846 2.4846 5.3242 5.3242 6.1779 6.1779 6.2089 6.2089 9.7158 9.7158 17.9211 17.9211 19.9986 19.9986 20.1431 20.1431 k = 0.1957-0.1130 0.1597 ( 909 PWs) bands (ev): -10.7601 -10.7601 0.9333 0.9333 1.3373 1.3373 1.4501 1.4501 2.3328 2.3328 2.4878 2.4878 5.2720 5.2720 6.1355 6.1355 6.1667 6.1667 9.8187 9.8187 17.8115 17.8115 20.0096 20.0096 20.1526 20.1526 k = 0.2029-0.1171 0.1657 ( 901 PWs) bands (ev): -10.7420 -10.7420 0.9211 0.9211 1.3516 1.3516 1.4641 1.4641 2.3281 2.3281 2.4911 2.4911 5.2203 5.2203 6.0922 6.0922 6.1238 6.1238 9.9211 9.9211 17.7026 17.7026 20.0218 20.0218 20.1633 20.1633 k = 0.2101-0.1213 0.1716 ( 897 PWs) bands (ev): -10.7237 -10.7237 0.9091 0.9091 1.3663 1.3663 1.4784 1.4784 2.3234 2.3234 2.4945 2.4945 5.1692 5.1692 6.0482 6.0482 6.0801 6.0801 10.0226 10.0226 17.5946 17.5946 20.0352 20.0352 20.1750 20.1750 k = 0.2174-0.1255 0.1775 ( 897 PWs) bands (ev): -10.7052 -10.7052 0.8973 0.8973 1.3813 1.3813 1.4932 1.4932 2.3186 2.3186 2.4979 2.4979 5.1186 5.1186 6.0035 6.0035 6.0356 6.0356 10.1232 10.1232 17.4875 17.4875 20.0496 20.0496 20.1879 20.1879 k = 0.2246-0.1297 0.1834 ( 897 PWs) bands (ev): -10.6864 -10.6864 0.8859 0.8859 1.3969 1.3969 1.5084 1.5084 2.3140 2.3140 2.5014 2.5014 5.0684 5.0684 5.9582 5.9582 5.9905 5.9905 10.2227 10.2227 17.3816 17.3816 20.0652 20.0652 20.2019 20.2019 k = 0.2319-0.1339 0.1893 ( 897 PWs) bands (ev): -10.6674 -10.6674 0.8749 0.8749 1.4128 1.4128 1.5241 1.5241 2.3096 2.3096 2.5049 2.5049 5.0187 5.0187 5.9123 5.9123 5.9449 5.9449 10.3209 10.3209 17.2770 17.2770 20.0817 20.0817 20.2168 20.2168 k = 0.2391-0.1381 0.1952 ( 897 PWs) bands (ev): -10.6484 -10.6484 0.8643 0.8643 1.4291 1.4291 1.5402 1.5402 2.3054 2.3054 2.5085 2.5085 4.9692 4.9692 5.8660 5.8660 5.8987 5.8987 10.4177 10.4177 17.1739 17.1739 20.0991 20.0991 20.2321 20.2321 k = 0.2464-0.1422 0.2012 ( 902 PWs) bands (ev): -10.6292 -10.6292 0.8542 0.8542 1.4458 1.4458 1.5567 1.5567 2.3013 2.3013 2.5122 2.5122 4.9201 4.9201 5.8192 5.8192 5.8521 5.8521 10.5129 10.5129 17.0725 17.0725 20.1114 20.1114 20.1307 20.1307 k = 0.2536-0.1464 0.2071 ( 902 PWs) bands (ev): -10.6100 -10.6100 0.8446 0.8446 1.4629 1.4629 1.5735 1.5735 2.2977 2.2977 2.5159 2.5159 4.8713 4.8713 5.7722 5.7722 5.8053 5.8053 10.6063 10.6063 16.9730 16.9730 19.9840 19.9840 20.1384 20.1384 k = 0.2609-0.1506 0.2130 ( 902 PWs) bands (ev): -10.5908 -10.5908 0.8355 0.8355 1.4804 1.4804 1.5908 1.5908 2.2944 2.2944 2.5196 2.5196 4.8227 4.8227 5.7250 5.7250 5.7581 5.7581 10.6979 10.6979 16.8755 16.8755 19.8509 19.8509 20.1585 20.1585 k = 0.2681-0.1548 0.2189 ( 894 PWs) bands (ev): -10.5716 -10.5716 0.8270 0.8270 1.4983 1.4983 1.6086 1.6086 2.2916 2.2916 2.5235 2.5235 4.7745 4.7745 5.6777 5.6777 5.7109 5.7109 10.7874 10.7874 16.7802 16.7802 19.7235 19.7235 20.1797 20.1797 k = 0.2754-0.1590 0.2248 ( 894 PWs) bands (ev): -10.5525 -10.5525 0.8191 0.8191 1.5165 1.5165 1.6264 1.6264 2.2891 2.2891 2.5273 2.5273 4.7264 4.7264 5.6303 5.6303 5.6635 5.6635 10.8745 10.8745 16.6874 16.6874 19.6018 19.6018 20.2016 20.2016 k = 0.2826-0.1632 0.2307 ( 894 PWs) bands (ev): -10.5334 -10.5334 0.8117 0.8117 1.5348 1.5348 1.6445 1.6445 2.2870 2.2870 2.5312 2.5312 4.6785 4.6785 5.5829 5.5829 5.6162 5.6162 10.9592 10.9592 16.5972 16.5972 19.4859 19.4859 20.2242 20.2242 k = 0.2899-0.1673 0.2367 ( 894 PWs) bands (ev): -10.5146 -10.5146 0.8049 0.8049 1.5535 1.5535 1.6629 1.6629 2.2854 2.2854 2.5352 2.5352 4.6308 4.6308 5.5357 5.5357 5.5689 5.5689 11.0413 11.0413 16.5097 16.5097 19.3758 19.3758 20.2474 20.2474 k = 0.2971-0.1715 0.2426 ( 894 PWs) bands (ev): -10.4959 -10.4959 0.7988 0.7988 1.5724 1.5724 1.6814 1.6814 2.2843 2.2843 2.5391 2.5391 4.5834 4.5834 5.4887 5.4887 5.5218 5.5218 11.1207 11.1207 16.4253 16.4253 19.2713 19.2713 20.2711 20.2711 k = 0.3043-0.1757 0.2485 ( 894 PWs) bands (ev): -10.4774 -10.4774 0.7933 0.7933 1.5915 1.5915 1.7001 1.7001 2.2836 2.2836 2.5431 2.5431 4.5361 4.5361 5.4419 5.4419 5.4749 5.4749 11.1970 11.1970 16.3440 16.3440 19.1723 19.1723 20.2952 20.2952 k = 0.3116-0.1799 0.2544 ( 898 PWs) bands (ev): -10.4593 -10.4593 0.7883 0.7883 1.6106 1.6106 1.7188 1.7188 2.2835 2.2835 2.5472 2.5472 4.4890 4.4890 5.3956 5.3956 5.4284 5.4284 11.2703 11.2703 16.2660 16.2660 19.0787 19.0787 20.3196 20.3196 k = 0.3188-0.1841 0.2603 ( 906 PWs) bands (ev): -10.4414 -10.4414 0.7839 0.7839 1.6297 1.6297 1.7374 1.7374 2.2841 2.2841 2.5512 2.5512 4.4423 4.4423 5.3497 5.3497 5.3823 5.3823 11.3403 11.3403 16.1915 16.1915 18.9905 18.9905 20.3443 20.3443 k = 0.3261-0.1883 0.2662 ( 906 PWs) bands (ev): -10.4239 -10.4239 0.7801 0.7801 1.6492 1.6492 1.7563 1.7563 2.2851 2.2851 2.5553 2.5553 4.3958 4.3958 5.3044 5.3044 5.3368 5.3368 11.4070 11.4070 16.1206 16.1206 18.9075 18.9075 20.3691 20.3691 k = 0.3333-0.1925 0.2722 ( 906 PWs) bands (ev): -10.4067 -10.4067 0.7769 0.7769 1.6688 1.6688 1.7751 1.7751 2.2868 2.2868 2.5595 2.5595 4.3496 4.3496 5.2598 5.2598 5.2920 5.2920 11.4702 11.4702 16.0534 16.0534 18.8295 18.8295 20.3939 20.3939 k = 0.3406-0.1966 0.2781 ( 906 PWs) bands (ev): -10.3900 -10.3900 0.7742 0.7742 1.6883 1.6883 1.7938 1.7938 2.2890 2.2890 2.5637 2.5637 4.3038 4.3038 5.2160 5.2160 5.2479 5.2479 11.5298 11.5298 15.9900 15.9900 18.7564 18.7564 20.4187 20.4187 k = 0.3478-0.2008 0.2840 ( 910 PWs) bands (ev): -10.3738 -10.3738 0.7719 0.7719 1.7078 1.7078 1.8123 1.8123 2.2917 2.2917 2.5680 2.5680 4.2584 4.2584 5.1731 5.1731 5.2046 5.2046 11.5858 11.5858 15.9305 15.9305 18.6882 18.6882 20.4434 20.4434 k = 0.3551-0.2050 0.2899 ( 902 PWs) bands (ev): -10.3580 -10.3580 0.7702 0.7702 1.7274 1.7274 1.8308 1.8308 2.2951 2.2951 2.5724 2.5724 4.2136 4.2136 5.1312 5.1312 5.1623 5.1623 11.6381 11.6381 15.8749 15.8749 18.6247 18.6247 20.4678 20.4678 k = 0.3623-0.2092 0.2958 ( 902 PWs) bands (ev): -10.3428 -10.3428 0.7690 0.7690 1.7467 1.7467 1.8488 1.8488 2.2991 2.2991 2.5768 2.5768 4.1694 4.1694 5.0903 5.0903 5.1210 5.1210 11.6868 11.6868 15.8233 15.8233 18.5656 18.5656 20.4918 20.4918 k = 0.3696-0.2134 0.3017 ( 902 PWs) bands (ev): -10.3281 -10.3281 0.7681 0.7681 1.7658 1.7658 1.8664 1.8664 2.3036 2.3036 2.5813 2.5813 4.1258 4.1258 5.0506 5.0506 5.0809 5.0809 11.7317 11.7317 15.7755 15.7755 18.5109 18.5109 20.5154 20.5154 k = 0.3768-0.2176 0.3077 ( 902 PWs) bands (ev): -10.3141 -10.3141 0.7675 0.7675 1.7846 1.7846 1.8837 1.8837 2.3085 2.3085 2.5858 2.5858 4.0829 4.0829 5.0122 5.0122 5.0420 5.0420 11.7730 11.7730 15.7316 15.7316 18.4604 18.4604 20.5384 20.5384 k = 0.3841-0.2217 0.3136 ( 902 PWs) bands (ev): -10.3006 -10.3006 0.7673 0.7673 1.8031 1.8031 1.9003 1.9003 2.3139 2.3139 2.5904 2.5904 4.0410 4.0410 4.9752 4.9752 5.0044 5.0044 11.8107 11.8107 15.6915 15.6915 18.4140 18.4140 20.5607 20.5607 k = 0.3913-0.2259 0.3195 ( 902 PWs) bands (ev): -10.2879 -10.2879 0.7675 0.7675 1.8212 1.8212 1.9164 1.9164 2.3198 2.3198 2.5950 2.5950 4.0002 4.0002 4.9397 4.9397 4.9684 4.9684 11.8449 11.8449 15.6550 15.6550 18.3715 18.3715 20.5823 20.5823 k = 0.3986-0.2301 0.3254 ( 902 PWs) bands (ev): -10.2758 -10.2758 0.7678 0.7678 1.8387 1.8387 1.9318 1.9318 2.3259 2.3259 2.5997 2.5997 3.9605 3.9605 4.9059 4.9059 4.9340 4.9340 11.8758 11.8758 15.6221 15.6221 18.3327 18.3327 20.6030 20.6030 k = 0.4058-0.2343 0.3313 ( 902 PWs) bands (ev): -10.2644 -10.2644 0.7684 0.7684 1.8558 1.8558 1.9464 1.9464 2.3323 2.3323 2.6044 2.6044 3.9222 3.9222 4.8737 4.8737 4.9012 4.9012 11.9034 11.9034 15.5926 15.5926 18.2976 18.2976 20.6227 20.6227 k = 0.4130-0.2385 0.3372 ( 902 PWs) bands (ev): -10.2537 -10.2537 0.7691 0.7691 1.8721 1.8721 1.9603 1.9603 2.3389 2.3389 2.6092 2.6092 3.8855 3.8855 4.8434 4.8434 4.8703 4.8703 11.9280 11.9280 15.5663 15.5663 18.2658 18.2658 20.6414 20.6414 k = 0.4203-0.2427 0.3432 ( 902 PWs) bands (ev): -10.2438 -10.2438 0.7699 0.7699 1.8878 1.8878 1.9732 1.9732 2.3455 2.3455 2.6139 2.6139 3.8504 3.8504 4.8150 4.8150 4.8413 4.8413 11.9496 11.9496 15.5431 15.5431 18.2373 18.2373 20.6590 20.6590 k = 0.4275-0.2468 0.3491 ( 906 PWs) bands (ev): -10.2348 -10.2348 0.7708 0.7708 1.9024 1.9024 1.9851 1.9851 2.3520 2.3520 2.6185 2.6185 3.8172 3.8172 4.7887 4.7887 4.8144 4.8144 11.9686 11.9686 15.5227 15.5227 18.2119 18.2119 20.6752 20.6752 k = 0.4348-0.2510 0.3550 ( 906 PWs) bands (ev): -10.2265 -10.2265 0.7717 0.7717 1.9163 1.9163 1.9960 1.9960 2.3584 2.3584 2.6232 2.6232 3.7862 3.7862 4.7646 4.7646 4.7896 4.7896 11.9850 11.9850 15.5049 15.5049 18.1895 18.1895 20.6903 20.6903 k = 0.4420-0.2552 0.3609 ( 906 PWs) bands (ev): -10.2190 -10.2190 0.7727 0.7727 1.9291 1.9291 2.0059 2.0059 2.3646 2.3646 2.6276 2.6276 3.7576 3.7576 4.7426 4.7426 4.7672 4.7672 11.9991 11.9991 15.4896 15.4896 18.1699 18.1699 20.7039 20.7039 k = 0.4493-0.2594 0.3668 ( 914 PWs) bands (ev): -10.2124 -10.2124 0.7735 0.7735 1.9405 1.9405 2.0146 2.0146 2.3702 2.3702 2.6319 2.6319 3.7315 3.7315 4.7230 4.7230 4.7470 4.7470 12.0110 12.0110 15.4765 15.4765 18.1529 18.1529 20.7161 20.7161 k = 0.4565-0.2636 0.3727 ( 918 PWs) bands (ev): -10.2066 -10.2066 0.7743 0.7743 1.9509 1.9509 2.0222 2.0222 2.3754 2.3754 2.6359 2.6359 3.7082 3.7082 4.7058 4.7058 4.7293 4.7293 12.0210 12.0210 15.4656 15.4656 18.1384 18.1384 20.7268 20.7268 k = 0.4638-0.2678 0.3787 ( 926 PWs) bands (ev): -10.2017 -10.2017 0.7750 0.7750 1.9597 1.9597 2.0285 2.0285 2.3798 2.3798 2.6394 2.6394 3.6880 3.6880 4.6912 4.6912 4.7142 4.7142 12.0291 12.0291 15.4566 15.4566 18.1264 18.1264 20.7359 20.7359 k = 0.4710-0.2719 0.3846 ( 926 PWs) bands (ev): -10.1976 -10.1976 0.7757 0.7757 1.9673 1.9673 2.0338 2.0338 2.3837 2.3837 2.6425 2.6425 3.6712 3.6712 4.6791 4.6791 4.7017 4.7017 12.0356 12.0356 15.4495 15.4495 18.1167 18.1167 20.7435 20.7435 k = 0.4783-0.2761 0.3905 ( 926 PWs) bands (ev): -10.1945 -10.1945 0.7762 0.7762 1.9733 1.9733 2.0379 2.0379 2.3868 2.3868 2.6450 2.6450 3.6579 3.6579 4.6696 4.6696 4.6920 4.6920 12.0405 12.0405 15.4441 15.4441 18.1093 18.1093 20.7494 20.7494 k = 0.4855-0.2803 0.3964 ( 934 PWs) bands (ev): -10.1922 -10.1922 0.7765 0.7765 1.9774 1.9774 2.0407 2.0407 2.3891 2.3891 2.6469 2.6469 3.6481 3.6481 4.6628 4.6628 4.6849 4.6849 12.0439 12.0439 15.4402 15.4402 18.1040 18.1040 20.7536 20.7536 k = 0.4928-0.2845 0.4023 ( 934 PWs) bands (ev): -10.1909 -10.1909 0.7767 0.7767 1.9800 1.9800 2.0424 2.0424 2.3904 2.3904 2.6481 2.6481 3.6423 3.6423 4.6587 4.6587 4.6807 4.6807 12.0459 12.0459 15.4380 15.4380 18.1009 18.1009 20.7562 20.7562 k = 0.5000-0.2887 0.4082 ( 934 PWs) bands (ev): -10.1904 -10.1904 0.7768 0.7768 1.9809 1.9809 2.0430 2.0430 2.3909 2.3909 2.6485 2.6485 3.6403 3.6403 4.6574 4.6574 4.6793 4.6793 12.0466 12.0466 15.4372 15.4372 18.0998 18.0998 20.7570 20.7570 k = 0.5000-0.2887 0.4082 ( 934 PWs) bands (ev): -10.1904 -10.1904 0.7768 0.7768 1.9809 1.9809 2.0430 2.0430 2.3909 2.3909 2.6485 2.6485 3.6403 3.6403 4.6574 4.6574 4.6793 4.6793 12.0466 12.0466 15.4372 15.4372 18.0998 18.0998 20.7570 20.7570 k = 0.5000-0.2804 0.4141 ( 934 PWs) bands (ev): -10.1906 -10.1903 0.7761 0.7788 1.9792 1.9823 2.0335 2.0525 2.3811 2.4014 2.6481 2.6488 3.6367 3.6419 4.6538 4.6593 4.6789 4.6792 12.0491 12.0500 15.4369 15.4375 18.0979 18.0998 20.7531 20.7591 k = 0.5000-0.2722 0.4199 ( 934 PWs) bands (ev): -10.1907 -10.1901 0.7767 0.7822 1.9773 1.9833 2.0243 2.0619 2.3721 2.4127 2.6476 2.6491 3.6311 3.6413 4.6493 4.6579 4.6774 4.6803 12.0577 12.0594 15.4366 15.4379 18.0939 18.0977 20.7436 20.7567 k = 0.5000-0.2639 0.4257 ( 928 PWs) bands (ev): -10.1908 -10.1900 0.7787 0.7868 1.9753 1.9836 2.0157 2.0710 2.3642 2.4247 2.6473 2.6495 3.6237 3.6388 4.6439 4.6523 4.6748 4.6835 12.0722 12.0748 15.4363 15.4383 18.0879 18.0936 20.7223 20.7428 k = 0.5000-0.2557 0.4316 ( 928 PWs) bands (ev): -10.1909 -10.1898 0.7819 0.7928 1.9731 1.9825 2.0084 2.0797 2.3570 2.4372 2.6468 2.6498 3.6144 3.6341 4.6372 4.6432 4.6716 4.6882 12.0927 12.0961 15.4361 15.4387 18.0802 18.0877 20.6863 20.7130 k = 0.5000-0.2474 0.4374 ( 920 PWs) bands (ev): -10.1909 -10.1896 0.7864 0.8001 1.9710 1.9792 2.0034 2.0879 2.3509 2.4503 2.6464 2.6500 3.6034 3.6275 4.6285 4.6312 4.6684 4.6936 12.1189 12.1231 15.4359 15.4391 18.0708 18.0800 20.6367 20.6688 k = 0.5000-0.2392 0.4432 ( 920 PWs) bands (ev): -10.1910 -10.1894 0.7921 0.8087 1.9686 1.9731 2.0009 2.0953 2.3457 2.4638 2.6460 2.6502 3.5909 3.6188 4.6165 4.6175 4.6657 4.6995 12.1509 12.1557 15.4357 15.4396 18.0599 18.0708 20.5751 20.6123 k = 0.5000-0.2309 0.4491 ( 912 PWs) bands (ev): -10.1910 -10.1892 0.7990 0.8185 1.9654 1.9662 2.0002 2.1019 2.3417 2.4779 2.6459 2.6507 3.5770 3.6083 4.5996 4.6039 4.6639 4.7057 12.1884 12.1938 15.4356 15.4400 18.0477 18.0602 20.5032 20.5450 k = 0.5000-0.2227 0.4549 ( 912 PWs) bands (ev): -10.1911 -10.1889 0.8071 0.8296 1.9567 1.9637 2.0003 2.1074 2.3388 2.4921 2.6458 2.6510 3.5617 3.5960 4.5805 4.5876 4.6630 4.7121 12.2312 12.2372 15.4354 15.4405 18.0344 18.0484 20.4218 20.4682 k = 0.5000-0.2144 0.4607 ( 912 PWs) bands (ev): -10.1911 -10.1887 0.8163 0.8419 1.9478 1.9611 2.0007 2.1118 2.3369 2.5065 2.6458 2.6516 3.5454 3.5820 4.5594 4.5691 4.6629 4.7186 12.2793 12.2857 15.4353 15.4410 18.0203 18.0356 20.3320 20.3828 k = 0.5000-0.2062 0.4666 ( 908 PWs) bands (ev): -10.1911 -10.1885 0.8266 0.8554 1.9388 1.9586 2.0013 2.1150 2.3362 2.5210 2.6461 2.6525 3.5281 3.5666 4.5365 4.5484 4.6634 4.7251 12.3324 12.3391 15.4352 15.4415 18.0054 18.0220 20.2348 20.2897 k = 0.5000-0.1979 0.4724 ( 912 PWs) bands (ev): -10.1911 -10.1882 0.8380 0.8701 1.9297 1.9558 2.0018 2.1168 2.3364 2.5350 2.6467 2.6540 3.5101 3.5498 4.5118 4.5257 4.6644 4.7316 12.3901 12.3972 15.4352 15.4420 17.9901 18.0079 20.1310 20.1899 k = 0.5000-0.1897 0.4782 ( 912 PWs) bands (ev): -10.1911 -10.1880 0.8503 0.8859 1.9207 1.9532 2.0024 2.1173 2.3375 2.5483 2.6477 2.6564 3.4915 3.5318 4.4857 4.5014 4.6658 4.7380 12.4524 12.4595 15.4351 15.4425 17.9745 17.9934 20.0214 20.0840 k = 0.5000-0.1815 0.4841 ( 912 PWs) bands (ev): -10.1911 -10.1877 0.8636 0.9028 1.9118 1.9505 2.0029 2.1164 2.3394 2.5605 2.6492 2.6603 3.4726 3.5129 4.4582 4.4755 4.6676 4.7443 12.5189 12.5260 15.4351 15.4431 17.9587 17.9786 19.9068 19.9731 k = 0.5000-0.1732 0.4899 ( 912 PWs) bands (ev): -10.1911 -10.1875 0.8778 0.9206 1.9030 1.9478 2.0033 2.1143 2.3416 2.5708 2.6514 2.6662 3.4534 3.4931 4.4296 4.4483 4.6697 4.7505 12.5892 12.5962 15.4351 15.4437 17.9429 17.9638 19.7879 19.8577 k = 0.5000-0.1650 0.4957 ( 912 PWs) bands (ev): -10.1910 -10.1872 0.8927 0.9395 1.8944 1.9452 2.0037 2.1110 2.3441 2.5788 2.6542 2.6745 3.4342 3.4728 4.4001 4.4200 4.6720 4.7565 12.6631 12.6699 15.4352 15.4442 17.9273 17.9491 19.6657 19.7389 k = 0.5000-0.1567 0.5016 ( 912 PWs) bands (ev): -10.1910 -10.1870 0.9084 0.9592 1.8859 1.9426 2.0040 2.1065 2.3466 2.5842 2.6577 2.6855 3.4151 3.4520 4.3698 4.3907 4.6745 4.7622 12.7402 12.7465 15.4353 15.4448 17.9120 17.9345 19.5408 19.6172 k = 0.5000-0.1485 0.5074 ( 912 PWs) bands (ev): -10.1909 -10.1867 0.9247 0.9798 1.8776 1.9400 2.0042 2.1010 2.3489 2.5873 2.6621 2.6989 3.3964 3.4310 4.3389 4.3608 4.6770 4.7678 12.8201 12.8259 15.4354 15.4454 17.8970 17.9203 19.4139 19.4935 k = 0.5000-0.1402 0.5132 ( 912 PWs) bands (ev): -10.1909 -10.1865 0.9415 1.0011 1.8693 1.9373 2.0043 2.0944 2.3509 2.5884 2.6673 2.7141 3.3782 3.4101 4.3077 4.3303 4.6796 4.7730 12.9024 12.9075 15.4355 15.4460 17.8825 17.9064 19.2859 19.3685 k = 0.5000-0.1320 0.5191 ( 908 PWs) bands (ev): -10.1908 -10.1863 0.9588 1.0231 1.8612 1.9349 2.0044 2.0870 2.3523 2.5880 2.6734 2.7307 3.3607 3.3893 4.2763 4.2996 4.6823 4.7781 12.9867 12.9908 15.4356 15.4466 17.8686 17.8930 19.1573 19.2431 k = 0.5000-0.1237 0.5249 ( 908 PWs) bands (ev): -10.1908 -10.1860 0.9764 1.0456 1.8533 1.9324 2.0043 2.0786 2.3531 2.5865 2.6803 2.7483 3.3440 3.3688 4.2450 4.2687 4.6849 4.7828 13.0723 13.0754 15.4358 15.4472 17.8552 17.8802 19.0291 19.1178 k = 0.5000-0.1155 0.5307 ( 908 PWs) bands (ev): -10.1907 -10.1858 0.9941 1.0684 1.8455 1.9299 2.0042 2.0694 2.3533 2.5840 2.6880 2.7665 3.3282 3.3488 4.2140 4.2381 4.6874 4.7872 13.1588 13.1607 15.4360 15.4477 17.8425 17.8679 18.9020 18.9936 k = 0.5000-0.1072 0.5366 ( 908 PWs) bands (ev): -10.1906 -10.1856 1.0118 1.0915 1.8379 1.9275 2.0040 2.0595 2.3529 2.5810 2.6962 2.7850 3.3135 3.3295 4.1835 4.2077 4.6898 4.7913 13.2455 13.2460 15.4362 15.4483 17.8305 17.8564 18.7767 18.8713 k = 0.5000-0.0990 0.5424 ( 904 PWs) bands (ev): -10.1906 -10.1854 1.0294 1.1147 1.8305 1.9252 2.0039 2.0490 2.3520 2.5775 2.7050 2.8036 3.2999 3.3111 4.1538 4.1781 4.6922 4.7952 13.3308 13.3319 15.4364 15.4488 17.8193 17.8455 18.6542 18.7517 k = 0.5000-0.0907 0.5482 ( 904 PWs) bands (ev): -10.1905 -10.1852 1.0467 1.1378 1.8233 1.9227 2.0036 2.0379 2.3506 2.5736 2.7140 2.8220 3.2875 3.2937 4.1250 4.1493 4.6944 4.7987 13.4143 13.4171 15.4365 15.4494 17.8089 17.8353 18.5352 18.6356 k = 0.5000-0.0825 0.5541 ( 904 PWs) bands (ev): -10.1904 -10.1850 1.0636 1.1606 1.8163 1.9203 2.0032 2.0264 2.3489 2.5695 2.7231 2.8399 3.2765 3.2775 4.0975 4.1215 4.6965 4.8019 13.4957 13.5003 15.4367 15.4498 17.7993 17.8259 18.4209 18.5241 k = 0.5000-0.0742 0.5599 ( 896 PWs) bands (ev): -10.1904 -10.1848 1.0799 1.1829 1.8096 1.9179 2.0029 2.0149 2.3471 2.5655 2.7322 2.8573 3.2625 3.2668 4.0714 4.0952 4.6985 4.8049 13.5741 13.5806 15.4370 15.4504 17.7907 17.8172 18.3123 18.4182 k = 0.5000-0.0660 0.5657 ( 896 PWs) bands (ev): -10.1903 -10.1846 1.0952 1.2043 1.8033 1.9152 2.0026 2.0036 2.3451 2.5614 2.7409 2.8738 3.2489 3.2583 4.0471 4.0706 4.7002 4.8075 13.6485 13.6570 15.4371 15.4508 17.7828 17.8093 18.2104 18.3189 k = 0.5000-0.0577 0.5715 ( 896 PWs) bands (ev): -10.1903 -10.1845 1.1094 1.2245 1.7973 1.9124 1.9927 2.0022 2.3431 2.5575 2.7491 2.8891 3.2366 3.2511 4.0247 4.0478 4.7018 4.8098 13.7178 13.7284 15.4373 15.4512 17.7758 17.8020 18.1165 18.2273 k = 0.5000-0.0495 0.5774 ( 896 PWs) bands (ev): -10.1902 -10.1844 1.1223 1.2433 1.7919 1.9093 1.9827 2.0018 2.3412 2.5538 2.7566 2.9032 3.2259 3.2452 4.0047 4.0274 4.7031 4.8118 13.7811 13.7937 15.4375 15.4515 17.7697 17.7953 18.0319 18.1446 k = 0.5000-0.0412 0.5832 ( 900 PWs) bands (ev): -10.1902 -10.1843 1.1337 1.2601 1.7870 1.9060 1.9738 2.0014 2.3394 2.5504 2.7633 2.9155 3.2166 3.2403 3.9872 4.0094 4.7043 4.8135 13.8372 13.8517 15.4376 15.4518 17.7646 17.7890 17.9582 18.0720 k = 0.5000-0.0330 0.5890 ( 896 PWs) bands (ev): -10.1902 -10.1842 1.1434 1.2747 1.7829 1.9027 1.9666 2.0011 2.3380 2.5476 2.7690 2.9262 3.2091 3.2366 3.9724 3.9943 4.7053 4.8148 13.8850 13.9012 15.4377 15.4521 17.7604 17.7824 17.8971 18.0107 k = 0.5000-0.0247 0.5949 ( 894 PWs) bands (ev): -10.1901 -10.1841 1.1512 1.2865 1.7797 1.8995 1.9610 2.0009 2.3368 2.5453 2.7736 2.9348 3.2031 3.2338 3.9607 3.9822 4.7060 4.8159 13.9234 13.9412 15.4378 15.4523 17.7571 17.7745 17.8510 17.9616 k = 0.5000-0.0165 0.6007 ( 892 PWs) bands (ev): -10.1901 -10.1841 1.1568 1.2953 1.7773 1.8969 1.9571 2.0008 2.3359 2.5436 2.7769 2.9410 3.1990 3.2319 3.9522 3.9734 4.7066 4.8167 13.9516 13.9705 15.4379 15.4524 17.7547 17.7640 17.8221 17.9259 k = 0.5000-0.0082 0.6065 ( 892 PWs) bands (ev): -10.1901 -10.1840 1.1603 1.3007 1.7758 1.8951 1.9548 2.0007 2.3353 2.5425 2.7789 2.9448 3.1964 3.2308 3.9470 3.9681 4.7069 4.8171 13.9688 13.9884 15.4379 15.4525 17.7533 17.7533 17.8087 17.9041 k = 0.5000-0.0000 0.6124 ( 892 PWs) bands (ev): -10.1901 -10.1840 1.1614 1.3025 1.7753 1.8945 1.9540 2.0006 2.3351 2.5422 2.7796 2.9461 3.1955 3.2305 3.9453 3.9663 4.7070 4.8173 13.9746 13.9944 15.4379 15.4525 17.7488 17.7528 17.8052 17.8968 k = 0.5000-0.0000 0.6124 ( 892 PWs) bands (ev): -10.1901 -10.1840 1.1614 1.3025 1.7753 1.8945 1.9540 2.0006 2.3351 2.5422 2.7796 2.9461 3.1955 3.2305 3.9453 3.9663 4.7070 4.8173 13.9746 13.9944 15.4379 15.4525 17.7488 17.7528 17.8052 17.8968 k = 0.4950 0.0087 0.6124 ( 892 PWs) bands (ev): -10.1902 -10.1841 1.1610 1.3017 1.7740 1.8955 1.9526 2.0032 2.3351 2.5421 2.7790 2.9452 3.1943 3.2295 3.9472 3.9687 4.7082 4.8183 13.9721 13.9919 15.4366 15.4511 17.6924 17.7526 17.8369 17.9333 k = 0.4900 0.0173 0.6124 ( 892 PWs) bands (ev): -10.1905 -10.1844 1.1596 1.2992 1.7708 1.8985 1.9487 2.0103 2.3350 2.5418 2.7776 2.9428 3.1905 3.2260 3.9526 3.9759 4.7118 4.8216 13.9650 13.9844 15.4323 15.4466 17.6342 17.7024 17.9101 18.0031 k = 0.4850 0.0260 0.6124 ( 892 PWs) bands (ev): -10.1909 -10.1849 1.1573 1.2952 1.7663 1.9028 1.9442 2.0204 2.3349 2.5413 2.7755 2.9393 3.1839 3.2195 3.9610 3.9876 4.7179 4.8271 13.9535 13.9724 15.4250 15.4389 17.5804 17.6499 17.9928 18.0847 k = 0.4800 0.0346 0.6124 ( 898 PWs) bands (ev): -10.1915 -10.1855 1.1542 1.2895 1.7613 1.9063 1.9414 2.0320 2.3347 2.5405 2.7730 2.9349 3.1744 3.2098 3.9719 4.0030 4.7266 4.8349 13.9381 13.9563 15.4144 15.4279 17.5315 17.6004 18.0825 18.1740 k = 0.4750 0.0433 0.6124 ( 898 PWs) bands (ev): -10.1922 -10.1863 1.1503 1.2824 1.7568 1.9072 1.9428 2.0447 2.3347 2.5396 2.7703 2.9301 3.1622 3.1973 3.9851 4.0212 4.7380 4.8451 13.9191 13.9365 15.4009 15.4138 17.4876 17.5551 18.1787 18.2699 k = 0.4700 0.0520 0.6124 ( 906 PWs) bands (ev): -10.1931 -10.1871 1.1456 1.2739 1.7530 1.9047 1.9484 2.0579 2.3347 2.5383 2.7675 2.9248 3.1473 3.1822 3.9997 4.0413 4.7521 4.8575 13.8969 13.9135 15.3847 15.3968 17.4484 17.5143 18.2808 18.3718 k = 0.4650 0.0606 0.6124 ( 904 PWs) bands (ev): -10.1940 -10.1881 1.1403 1.2643 1.7505 1.9007 1.9567 2.0716 2.3351 2.5372 2.7648 2.9196 3.1301 3.1649 4.0154 4.0624 4.7689 4.8722 13.8720 13.8875 15.3661 15.3775 17.4139 17.4779 18.3886 18.4793 k = 0.4600 0.0693 0.6124 ( 908 PWs) bands (ev): -10.1949 -10.1891 1.1345 1.2538 1.7490 1.8963 1.9659 2.0854 2.3357 2.5359 2.7621 2.9143 3.1109 3.1459 4.0315 4.0836 4.7883 4.8891 13.8445 13.8591 15.3456 15.3563 17.3836 17.4457 18.5016 18.5918 k = 0.4550 0.0779 0.6124 ( 904 PWs) bands (ev): -10.1959 -10.1901 1.1283 1.2426 1.7488 1.8923 1.9755 2.0995 2.3369 2.5348 2.7597 2.9091 3.0901 3.1255 4.0476 4.1044 4.8102 4.9079 13.8151 13.8286 15.3237 15.3337 17.3573 17.4175 18.6194 18.7089 k = 0.4500 0.0866 0.6124 ( 904 PWs) bands (ev): -10.1970 -10.1912 1.1217 1.2308 1.7496 1.8888 1.9848 2.1134 2.3385 2.5338 2.7574 2.9040 3.0679 3.1040 4.0632 4.1243 4.8342 4.9284 13.7840 13.7965 15.3010 15.3103 17.3345 17.3929 18.7415 18.8302 k = 0.4450 0.0953 0.6124 ( 907 PWs) bands (ev): -10.1981 -10.1923 1.1149 1.2188 1.7515 1.8859 1.9935 2.1272 2.3406 2.5329 2.7554 2.8992 3.0446 3.0819 4.0781 4.1428 4.8600 4.9502 13.7517 13.7633 15.2779 15.2866 17.3148 17.3715 18.8674 18.9551 k = 0.4400 0.1039 0.6124 ( 905 PWs) bands (ev): -10.1991 -10.1935 1.1081 1.2067 1.7542 1.8837 2.0014 2.1408 2.3435 2.5326 2.7538 2.8946 3.0207 3.0593 4.0920 4.1598 4.8873 4.9731 13.7187 13.7294 15.2549 15.2631 17.2981 17.3531 18.9968 19.0832 k = 0.4350 0.1126 0.6124 ( 905 PWs) bands (ev): -10.2002 -10.1946 1.1013 1.1948 1.7576 1.8821 2.0084 2.1541 2.3469 2.5326 2.7524 2.8903 2.9964 3.0365 4.1048 4.1752 4.9154 4.9965 13.6855 13.6953 15.2325 15.2402 17.2838 17.3373 19.1290 19.2141 k = 0.4300 0.1212 0.6124 ( 905 PWs) bands (ev): -10.2012 -10.1956 1.0946 1.1832 1.7616 1.8811 2.0144 2.1670 2.3511 2.5333 2.7515 2.8863 2.9719 3.0139 4.1165 4.1890 4.9440 5.0201 13.6525 13.6615 15.2109 15.2182 17.2717 17.3238 19.2637 19.3471 k = 0.4250 0.1299 0.6124 ( 904 PWs) bands (ev): -10.2021 -10.1966 1.0881 1.1722 1.7660 1.8807 2.0193 2.1792 2.3560 2.5346 2.7508 2.8825 2.9475 2.9915 4.1269 4.2011 4.9724 5.0433 13.6202 13.6286 15.1905 15.1975 17.2614 17.3123 19.4001 19.4816 k = 0.4200 0.1386 0.6124 ( 906 PWs) bands (ev): -10.2031 -10.1976 1.0820 1.1617 1.7705 1.8807 2.0232 2.1907 2.3614 2.5368 2.7506 2.8790 2.9235 2.9698 4.1361 4.2117 5.0001 5.0658 13.5892 13.5970 15.1715 15.1783 17.2529 17.3027 19.5376 19.6168 k = 0.4150 0.1472 0.6124 ( 906 PWs) bands (ev): -10.2039 -10.1985 1.0762 1.1520 1.7752 1.8810 2.0261 2.2012 2.3674 2.5398 2.7507 2.8756 2.9003 2.9489 4.1441 4.2208 5.0266 5.0870 13.5600 13.5672 15.1542 15.1608 17.2457 17.2946 19.6754 19.7520 k = 0.4100 0.1559 0.6124 ( 904 PWs) bands (ev): -10.2047 -10.1993 1.0710 1.1432 1.7799 1.8818 2.0282 2.2106 2.3737 2.5437 2.7513 2.8716 2.8789 2.9293 4.1511 4.2286 5.0515 5.1067 13.5329 13.5397 15.1387 15.1451 17.2399 17.2879 19.8124 19.8859 k = 0.4050 0.1645 0.6124 ( 906 PWs) bands (ev): -10.2054 -10.2000 1.0663 1.1353 1.7842 1.8825 2.0294 2.2189 2.3801 2.5483 2.7522 2.8559 2.8702 2.9113 4.1569 4.2351 5.0742 5.1243 13.5085 13.5149 15.1251 15.1314 17.2350 17.2823 19.9473 20.0168 k = 0.4000 0.1732 0.6124 ( 906 PWs) bands (ev): -10.2059 -10.2007 1.0623 1.1285 1.7881 1.8834 2.0301 2.2259 2.3863 2.5534 2.7536 2.8369 2.8662 2.8958 4.1618 4.2405 5.0943 5.1397 13.4871 13.4932 15.1134 15.1197 17.2312 17.2779 20.0781 20.1426 k = 0.3950 0.1819 0.6124 ( 906 PWs) bands (ev): -10.2064 -10.2012 1.0589 1.1229 1.7916 1.8843 2.0304 2.2316 2.3921 2.5588 2.7553 2.8199 2.8608 2.8842 4.1657 4.2447 5.1114 5.1525 13.4691 13.4749 15.1039 15.1100 17.2282 17.2744 20.2019 20.2597 k = 0.3900 0.1905 0.6124 ( 904 PWs) bands (ev): -10.2068 -10.2016 1.0563 1.1185 1.7944 1.8852 2.0305 2.2360 2.3972 2.5640 2.7572 2.8057 2.8533 2.8773 4.1687 4.2480 5.1252 5.1626 13.4548 13.4604 15.0964 15.1025 17.2259 17.2718 20.3144 20.3631 k = 0.3850 0.1992 0.6124 ( 902 PWs) bands (ev): -10.2071 -10.2019 1.0544 1.1153 1.7965 1.8858 2.0304 2.2392 2.4010 2.5683 2.7588 2.7951 2.8458 2.8740 4.1708 4.2503 5.1354 5.1698 13.4445 13.4498 15.0910 15.0971 17.2244 17.2700 20.4090 20.4452 k = 0.3800 0.2078 0.6124 ( 902 PWs) bands (ev): -10.2073 -10.2021 1.0533 1.1134 1.7978 1.8863 2.0303 2.2411 2.4034 2.5712 2.7599 2.7886 2.8403 2.8724 4.1721 4.2516 5.1416 5.1741 13.4382 13.4434 15.0878 15.0939 17.2235 17.2689 20.4766 20.4963 k = 0.3750 0.2165 0.6124 ( 902 PWs) bands (ev): -10.2073 -10.2021 1.0529 1.1127 1.7982 1.8864 2.0303 2.2417 2.4043 2.5722 2.7602 2.7865 2.8383 2.8720 4.1725 4.2521 5.1437 5.1755 13.4361 13.4413 15.0867 15.0928 17.2231 17.2685 20.5072 20.5081 k = 0.3750 0.2165 0.6124 ( 902 PWs) bands (ev): -10.2073 -10.2021 1.0529 1.1127 1.7982 1.8864 2.0303 2.2417 2.4043 2.5722 2.7602 2.7865 2.8383 2.8720 4.1725 4.2521 5.1437 5.1755 13.4361 13.4413 15.0867 15.0928 17.2231 17.2685 20.5072 20.5081 k = 0.3699 0.2135 0.6040 ( 902 PWs) bands (ev): -10.2101 -10.2048 1.0702 1.1305 1.7866 1.8750 2.0428 2.2531 2.4100 2.5690 2.7234 2.7383 2.8092 2.8959 4.1706 4.2465 5.1781 5.2104 13.5258 13.5326 15.0316 15.0365 17.1687 17.2144 20.4918 20.4921 k = 0.3647 0.2106 0.5956 ( 903 PWs) bands (ev): -10.2132 -10.2079 1.0873 1.1477 1.7749 1.8634 2.0556 2.2638 2.4161 2.5649 2.6610 2.6788 2.8188 2.9205 4.1710 4.2432 5.2130 5.2458 13.6160 13.6246 14.9715 14.9751 17.1170 17.1629 20.4768 20.4770 k = 0.3596 0.2076 0.5872 ( 897 PWs) bands (ev): -10.2167 -10.2112 1.1041 1.1642 1.7634 1.8516 2.0683 2.2735 2.4228 2.5569 2.6038 2.6125 2.8371 2.9458 4.1737 4.2420 5.2485 5.2817 13.7064 13.7168 14.9070 14.9091 17.0684 17.1143 20.4622 20.4628 k = 0.3545 0.2046 0.5788 ( 897 PWs) bands (ev): -10.2205 -10.2150 1.1206 1.1800 1.7518 1.8395 2.0800 2.2815 2.4292 2.5237 2.5465 2.5734 2.8583 2.9715 4.1787 4.2431 5.2843 5.3180 13.7961 13.8085 14.8387 14.8389 17.0233 17.0690 20.4484 20.4495 k = 0.3493 0.2017 0.5704 ( 901 PWs) bands (ev): -10.2247 -10.2192 1.1366 1.1949 1.7402 1.8271 2.0894 2.2867 2.4311 2.4705 2.4870 2.5662 2.8815 2.9978 4.1859 4.2465 5.3206 5.3546 13.8841 13.8987 14.7659 14.7677 16.9818 17.0272 20.4356 20.4370 k = 0.3442 0.1987 0.5620 ( 901 PWs) bands (ev): -10.2293 -10.2238 1.1523 1.2090 1.7286 1.8147 2.0945 2.2868 2.4022 2.4189 2.4634 2.5630 2.9067 3.0245 4.1954 4.2523 5.3571 5.3914 13.9683 13.9852 14.6925 14.6964 16.9440 16.9890 20.4237 20.4255 k = 0.3390 0.1957 0.5537 ( 901 PWs) bands (ev): -10.2344 -10.2288 1.1676 1.2223 1.7172 1.8022 2.0924 2.2732 2.3582 2.3747 2.4685 2.5609 2.9336 3.0518 4.2073 4.2605 5.3939 5.4285 14.0442 14.0634 14.6235 14.6294 16.9099 16.9545 20.4130 20.4151 k = 0.3339 0.1928 0.5453 ( 901 PWs) bands (ev): -10.2398 -10.2343 1.1823 1.2347 1.7059 1.7896 2.0792 2.2329 2.3363 2.3421 2.4781 2.5594 2.9624 3.0797 4.2215 4.2711 5.4309 5.4657 14.1023 14.1228 14.5696 14.5766 16.8796 16.9238 20.4035 20.4058 k = 0.3288 0.1898 0.5369 ( 901 PWs) bands (ev): -10.2458 -10.2402 1.1966 1.2463 1.6947 1.7769 2.0530 2.1760 2.3232 2.3303 2.4886 2.5586 2.9930 3.1082 4.2381 4.2843 5.4680 5.5031 14.1258 14.1443 14.5504 14.5551 16.8530 16.8967 20.3953 20.3978 k = 0.3236 0.1868 0.5285 ( 901 PWs) bands (ev): -10.2522 -10.2466 1.2104 1.2569 1.6836 1.7642 2.0153 2.1146 2.3162 2.3286 2.4991 2.5585 3.0256 3.1375 4.2572 4.3001 5.5051 5.5405 14.1018 14.1146 14.5779 14.5795 16.8300 16.8733 20.3884 20.3912 k = 0.3185 0.1839 0.5201 ( 897 PWs) bands (ev): -10.2591 -10.2535 1.2236 1.2668 1.6728 1.7515 1.9700 2.0528 2.3175 2.3282 2.5092 2.5590 3.0600 3.1677 4.2788 4.3185 5.5424 5.5779 14.0389 14.0458 14.6372 14.6450 16.8106 16.8535 20.3829 20.3859 k = 0.3134 0.1809 0.5117 ( 897 PWs) bands (ev): -10.2664 -10.2610 1.2363 1.2757 1.6619 1.7387 1.9205 1.9917 2.3232 2.3278 2.5185 2.5601 3.0964 3.1987 4.3028 4.3395 5.5795 5.6152 13.9531 13.9557 14.7168 14.7296 16.7947 16.8373 20.3789 20.3821 k = 0.3082 0.1780 0.5033 ( 901 PWs) bands (ev): -10.2743 -10.2689 1.2484 1.2838 1.6510 1.7256 1.8693 1.9321 2.3272 2.3309 2.5267 2.5618 3.1345 3.2307 4.3294 4.3633 5.6166 5.6524 13.8541 13.8545 14.8072 14.8238 16.7822 16.8246 20.3763 20.3797 k = 0.3031 0.1750 0.4949 ( 899 PWs) bands (ev): -10.2827 -10.2774 1.2599 1.2910 1.6401 1.7121 1.8178 1.8744 2.3266 2.3395 2.5342 2.5643 3.1744 3.2640 4.3585 4.3897 5.6535 5.6894 13.7455 13.7482 14.9036 14.9234 16.7730 16.8153 20.3753 20.3788 k = 0.2979 0.1720 0.4865 ( 899 PWs) bands (ev): -10.2916 -10.2864 1.2709 1.2973 1.6290 1.6979 1.7673 1.8194 2.3259 2.3477 2.5402 2.5673 3.2160 3.2984 4.3901 4.4189 5.6903 5.7262 13.6321 13.6367 15.0036 15.0264 16.7672 16.8096 20.3759 20.3796 k = 0.2928 0.1691 0.4782 ( 897 PWs) bands (ev): -10.3011 -10.2959 1.2812 1.3028 1.6170 1.6818 1.7189 1.7681 2.3251 2.3552 2.5450 2.5707 3.2591 3.3342 4.4242 4.4507 5.7268 5.7628 13.5152 13.5214 15.1061 15.1316 16.7648 16.8073 20.3781 20.3819 k = 0.2877 0.1661 0.4698 ( 899 PWs) bands (ev): -10.3110 -10.3060 1.2910 1.3074 1.6027 1.6606 1.6744 1.7240 2.3242 2.3617 2.5485 2.5744 3.3038 3.3712 4.4608 4.4851 5.7631 5.7991 13.3957 13.4031 15.2104 15.2384 16.7658 16.8086 20.3819 20.3858 k = 0.2825 0.1631 0.4614 ( 895 PWs) bands (ev): -10.3215 -10.3165 1.3001 1.3111 1.5820 1.6292 1.6383 1.6924 2.3233 2.3671 2.5508 2.5781 3.3499 3.4098 4.4998 4.5222 5.7990 5.8351 13.2742 13.2827 15.3157 15.3463 16.7704 16.8136 20.3873 20.3913 k = 0.2774 0.1602 0.4530 ( 895 PWs) bands (ev): -10.3325 -10.3277 1.3086 1.3137 1.5508 1.5889 1.6150 1.6719 2.3223 2.3716 2.5519 2.5817 3.3972 3.4498 4.5411 4.5617 5.8347 5.8706 13.1510 13.1604 15.4219 15.4550 16.7786 16.8223 20.3942 20.3983 k = 0.2723 0.1572 0.4446 ( 895 PWs) bands (ev): -10.3441 -10.3393 1.3151 1.3163 1.5134 1.5458 1.6003 1.6565 2.3214 2.3750 2.5520 2.5850 3.4456 3.4912 4.5848 4.6036 5.8699 5.9058 13.0266 13.0368 15.5285 15.5641 16.7908 16.8350 20.4027 20.4068 k = 0.2671 0.1542 0.4362 ( 895 PWs) bands (ev): -10.3561 -10.3515 1.3151 1.3233 1.4754 1.5031 1.5893 1.6432 2.3205 2.3777 2.5510 2.5878 3.4951 3.5340 4.6306 4.6478 5.9047 5.9405 12.9011 12.9120 15.6350 15.6732 16.8071 16.8520 20.4126 20.4168 k = 0.2620 0.1513 0.4278 ( 895 PWs) bands (ev): -10.3687 -10.3642 1.3132 1.3293 1.4393 1.4621 1.5798 1.6308 2.3197 2.3797 2.5490 2.5899 3.5456 3.5783 4.6785 4.6942 5.9390 5.9748 12.7749 12.7863 15.7412 15.7817 16.8279 16.8736 20.4240 20.4282 k = 0.2568 0.1483 0.4194 ( 899 PWs) bands (ev): -10.3817 -10.3774 1.3081 1.3340 1.4070 1.4235 1.5710 1.6189 2.3190 2.3810 2.5461 2.5914 3.5970 3.6239 4.7284 4.7426 5.9728 6.0085 12.6482 12.6601 15.8464 15.8893 16.8538 16.9002 20.4366 20.4408 k = 0.2517 0.1453 0.4110 ( 907 PWs) bands (ev): -10.3953 -10.3911 1.2981 1.3358 1.3805 1.3889 1.5628 1.6075 2.3183 2.3819 2.5425 2.5921 3.6491 3.6708 4.7801 4.7929 6.0061 6.0416 12.5210 12.5333 15.9503 15.9952 16.8852 16.9322 20.4504 20.4546 k = 0.2466 0.1424 0.4027 ( 901 PWs) bands (ev): -10.4093 -10.4052 1.2817 1.3283 1.3620 1.3652 1.5552 1.5965 2.3180 2.3827 2.5385 2.5923 3.7022 3.7192 4.8336 4.8451 6.0389 6.0742 12.3937 12.4063 16.0521 16.0988 16.9231 16.9702 20.4653 20.4694 k = 0.2414 0.1394 0.3943 ( 901 PWs) bands (ev): -10.4237 -10.4198 1.2599 1.3046 1.3503 1.3590 1.5478 1.5858 2.3177 2.3830 2.5337 2.5917 3.7560 3.7687 4.8886 4.8989 6.0711 6.1062 12.2662 12.2790 16.1513 16.1992 16.9680 17.0150 20.4812 20.4852 k = 0.2363 0.1364 0.3859 ( 901 PWs) bands (ev): -10.4386 -10.4349 1.2354 1.2760 1.3427 1.3593 1.5407 1.5753 2.3177 2.3832 2.5285 2.5903 3.8105 3.8194 4.9451 4.9541 6.1027 6.1376 12.1388 12.1518 16.2472 16.2955 17.0209 17.0669 20.4977 20.5016 k = 0.2312 0.1335 0.3775 ( 901 PWs) bands (ev): -10.4539 -10.4503 1.2106 1.2477 1.3369 1.3606 1.5337 1.5651 2.3178 2.3833 2.5228 2.5882 3.8657 3.8713 5.0028 5.0107 6.1337 6.1683 12.0116 12.0247 16.3392 16.3871 17.0824 17.1266 20.5148 20.5186 k = 0.2260 0.1305 0.3691 ( 901 PWs) bands (ev): -10.4696 -10.4661 1.1866 1.2211 1.3319 1.3616 1.5269 1.5551 2.3181 2.3834 2.5169 2.5856 3.9216 3.9243 5.0616 5.0684 6.1640 6.1983 11.8845 11.8977 16.4271 16.4733 17.1530 17.1944 20.5322 20.5358 k = 0.2209 0.1275 0.3607 ( 909 PWs) bands (ev): -10.4856 -10.4824 1.1637 1.1962 1.3271 1.3621 1.5202 1.5453 2.3184 2.3832 2.5106 2.5823 3.9780 3.9783 5.1213 5.1270 6.1936 6.2277 11.7578 11.7710 16.5105 16.5542 17.2326 17.2703 20.5496 20.5530 k = 0.2158 0.1246 0.3523 ( 907 PWs) bands (ev): -10.5020 -10.4989 1.1427 1.1735 1.3224 1.3620 1.5135 1.5358 2.3192 2.3832 2.5044 2.5787 4.0334 4.0353 5.1818 5.1864 6.2226 6.2563 11.6316 11.6448 16.5900 16.6303 17.3208 17.3540 20.5668 20.5700 k = 0.2106 0.1216 0.3439 ( 909 PWs) bands (ev): -10.5187 -10.5157 1.1233 1.1527 1.3175 1.3612 1.5068 1.5264 2.3201 2.3833 2.4979 2.5745 4.0895 4.0932 5.2429 5.2465 6.2508 6.2842 11.5058 11.5189 16.6659 16.7023 17.4167 17.4449 20.5834 20.5864 k = 0.2055 0.1186 0.3355 ( 909 PWs) bands (ev): -10.5356 -10.5328 1.1057 1.1339 1.3125 1.3597 1.5001 1.5173 2.3212 2.3835 2.4915 2.5701 4.1466 4.1518 5.3044 5.3070 6.2784 6.3114 11.3806 11.3936 16.7390 16.7714 17.5190 17.5421 20.5992 20.6019 k = 0.2003 0.1157 0.3272 ( 909 PWs) bands (ev): -10.5528 -10.5502 1.0900 1.1170 1.3073 1.3576 1.4934 1.5083 2.3226 2.3838 2.4852 2.5655 4.2046 4.2111 5.3662 5.3679 6.3052 6.3378 11.2560 11.2689 16.8101 16.8385 17.6266 17.6448 20.6138 20.6162 k = 0.1952 0.1127 0.3188 ( 909 PWs) bands (ev): -10.5702 -10.5677 1.0760 1.1020 1.3019 1.3547 1.4865 1.4995 2.3241 2.3842 2.4791 2.5607 4.2636 4.2711 5.4281 5.4288 6.3313 6.3635 11.1321 11.1448 16.8802 16.9048 17.7384 17.7517 20.6269 20.6290 k = 0.1901 0.1097 0.3104 ( 909 PWs) bands (ev): -10.5878 -10.5855 1.0637 1.0889 1.2963 1.3512 1.4796 1.4908 2.3259 2.3847 2.4731 2.5557 4.3234 4.3317 5.4898 5.4899 6.3567 6.3884 11.0090 11.0215 16.9500 16.9711 17.8532 17.8621 20.6381 20.6400 k = 0.1849 0.1068 0.3020 ( 909 PWs) bands (ev): -10.6055 -10.6033 1.0532 1.0775 1.2906 1.3471 1.4725 1.4823 2.3279 2.3854 2.4673 2.5506 4.3842 4.3931 5.5505 5.5515 6.3813 6.4125 10.8866 10.8989 17.0202 17.0380 17.9702 17.9751 20.6472 20.6487 k = 0.1798 0.1038 0.2936 ( 909 PWs) bands (ev): -10.6233 -10.6213 1.0444 1.0679 1.2847 1.3424 1.4654 1.4738 2.3299 2.3861 2.4618 2.5454 4.4458 4.4552 5.6109 5.6126 6.4052 6.4358 10.7651 10.7771 17.0914 17.1063 18.0886 18.0897 20.6538 20.6550 k = 0.1747 0.1008 0.2852 ( 907 PWs) bands (ev): -10.6412 -10.6393 1.0372 1.0600 1.2787 1.3372 1.4581 1.4655 2.3322 2.3871 2.4566 2.5403 4.5083 4.5180 5.6708 5.6733 6.4283 6.4584 10.6444 10.6562 17.1639 17.1763 18.2054 18.2076 20.6577 20.6586 k = 0.1695 0.0979 0.2768 ( 905 PWs) bands (ev): -10.6591 -10.6573 1.0315 1.0536 1.2727 1.3316 1.4507 1.4571 2.3348 2.3882 2.4517 2.5352 4.5716 4.5816 5.7301 5.7333 6.4506 6.4801 10.5246 10.5361 17.2383 17.2483 18.3215 18.3266 20.6588 20.6593 k = 0.1644 0.0949 0.2684 ( 905 PWs) bands (ev): -10.6770 -10.6754 1.0273 1.0487 1.2665 1.3255 1.4431 1.4489 2.3375 2.3894 2.4471 2.5302 4.6357 4.6458 5.7886 5.7924 6.4722 6.5011 10.4058 10.4170 17.3147 17.3226 18.4372 18.4451 20.6568 20.6570 k = 0.1592 0.0919 0.2600 ( 909 PWs) bands (ev): -10.6948 -10.6933 1.0243 1.0451 1.2603 1.3191 1.4354 1.4405 2.3402 2.3907 2.4428 2.5251 4.7006 4.7108 5.8462 5.8506 6.4930 6.5213 10.2879 10.2988 17.3934 17.3994 18.5521 18.5624 20.6515 20.6517 k = 0.1541 0.0890 0.2517 ( 913 PWs) bands (ev): -10.7126 -10.7112 1.0227 1.0429 1.2540 1.3123 1.4276 1.4322 2.3431 2.3921 2.4388 2.5202 4.7663 4.7764 5.9027 5.9077 6.5131 6.5407 10.1710 10.1816 17.4746 17.4789 18.6655 18.6780 20.6430 20.6434 k = 0.1490 0.0860 0.2433 ( 911 PWs) bands (ev): -10.7302 -10.7290 1.0224 1.0419 1.2478 1.3054 1.4199 1.4240 2.3463 2.3937 2.4354 2.5155 4.8328 4.8429 5.9581 5.9637 6.5324 6.5594 10.0552 10.0654 17.5584 17.5611 18.7768 18.7913 20.6314 20.6322 k = 0.1438 0.0830 0.2349 ( 911 PWs) bands (ev): -10.7477 -10.7465 1.0232 1.0422 1.2416 1.2982 1.4120 1.4158 2.3495 2.3955 2.4322 2.5109 4.9001 4.9100 6.0123 6.0183 6.5510 6.5772 9.9405 9.9502 17.6448 17.6461 18.8856 18.9018 20.6170 20.6180 k = 0.1387 0.0801 0.2265 ( 911 PWs) bands (ev): -10.7649 -10.7639 1.0250 1.0434 1.2355 1.2909 1.4042 1.4077 2.3528 2.3973 2.4294 2.5064 4.9681 4.9778 6.0651 6.0715 6.5689 6.5943 9.8268 9.8362 17.7338 17.7339 18.9913 19.0090 20.5998 20.6011 k = 0.1336 0.0771 0.2181 ( 915 PWs) bands (ev): -10.7819 -10.7810 1.0278 1.0456 1.2293 1.2835 1.3963 1.3995 2.3561 2.3991 2.4268 2.5020 5.0369 5.0464 6.1165 6.1232 6.5860 6.6107 9.7141 9.7232 17.8244 17.8255 19.0932 19.1123 20.5802 20.5817 k = 0.1284 0.0741 0.2097 ( 915 PWs) bands (ev): -10.7986 -10.7978 1.0314 1.0487 1.2233 1.2760 1.3885 1.3915 2.3596 2.4010 2.4246 2.4978 5.1063 5.1156 6.1663 6.1734 6.6024 6.6262 9.6027 9.6113 17.9175 17.9198 19.1910 19.2111 20.5585 20.5602 k = 0.1233 0.0712 0.2013 ( 915 PWs) bands (ev): -10.8150 -10.8143 1.0358 1.0525 1.2173 1.2685 1.3809 1.3836 2.3632 2.4030 2.4228 2.4939 5.1765 5.1855 6.2146 6.2219 6.6180 6.6411 9.4923 9.5006 18.0133 18.0166 19.2841 19.3051 20.5349 20.5368 k = 0.1182 0.0682 0.1929 ( 915 PWs) bands (ev): -10.8311 -10.8304 1.0408 1.0570 1.2115 1.2609 1.3734 1.3758 2.3668 2.4051 2.4213 2.4900 5.2473 5.2560 6.2611 6.2687 6.6330 6.6552 9.3832 9.3910 18.1115 18.1157 19.3720 19.3937 20.5098 20.5118 k = 0.1130 0.0652 0.1846 ( 911 PWs) bands (ev): -10.8467 -10.8461 1.0465 1.0622 1.2058 1.2535 1.3661 1.3683 2.3704 2.4072 2.4201 2.4864 5.3188 5.3272 6.3059 6.3137 6.6473 6.6685 9.2752 9.2826 18.2120 18.2170 19.4543 19.4766 20.4835 20.4858 k = 0.1079 0.0623 0.1762 ( 911 PWs) bands (ev): -10.8619 -10.8614 1.0525 1.0677 1.2002 1.2461 1.3590 1.3610 2.3741 2.4093 2.4192 2.4829 5.3909 5.3990 6.3489 6.3568 6.6608 6.6812 9.1684 9.1754 18.3145 18.3204 19.5307 19.5533 20.4564 20.4589 k = 0.1027 0.0593 0.1678 ( 911 PWs) bands (ev): -10.8767 -10.8762 1.0589 1.0735 1.1948 1.2387 1.3521 1.3539 2.3777 2.4114 2.4185 2.4795 5.4636 5.4714 6.3900 6.3980 6.6737 6.6931 9.0628 9.0694 18.4189 18.4254 19.6009 19.6237 20.4289 20.4315 k = 0.0976 0.0564 0.1594 ( 911 PWs) bands (ev): -10.8909 -10.8906 1.0655 1.0796 1.1896 1.2315 1.3456 1.3472 2.3813 2.4135 2.4181 2.4763 5.5369 5.5443 6.4292 6.4373 6.6860 6.7044 8.9584 8.9646 18.5247 18.5319 19.6648 19.6875 20.4013 20.4040 k = 0.0925 0.0534 0.1510 ( 911 PWs) bands (ev): -10.9047 -10.9043 1.0723 1.0858 1.1846 1.2244 1.3394 1.3408 2.3848 2.4155 2.4179 2.4733 5.6107 5.6178 6.4665 6.4746 6.6976 6.7149 8.8553 8.8610 18.6316 18.6394 19.7222 19.7447 20.3739 20.3767 k = 0.0873 0.0504 0.1426 ( 911 PWs) bands (ev): -10.9178 -10.9176 1.0791 1.0921 1.1797 1.2175 1.3336 1.3348 2.3883 2.4175 2.4179 2.4703 5.6849 5.6917 6.5017 6.5099 6.7085 6.7248 8.7534 8.7587 18.7393 18.7476 19.7732 19.7953 20.3470 20.3500 k = 0.0822 0.0475 0.1342 ( 911 PWs) bands (ev): -10.9304 -10.9302 1.0859 1.0982 1.1751 1.2108 1.3282 1.3292 2.3918 2.4181 2.4195 2.4675 5.7596 5.7661 6.5350 6.5431 6.7188 6.7341 8.6528 8.6577 18.8472 18.8559 19.8178 19.8394 20.3210 20.3241 k = 0.0771 0.0445 0.1258 ( 911 PWs) bands (ev): -10.9424 -10.9422 1.0925 1.1042 1.1708 1.2042 1.3233 1.3241 2.3951 2.4185 2.4213 2.4648 5.8347 5.8409 6.5663 6.5744 6.7285 6.7427 8.5536 8.5581 18.9547 18.9637 19.8565 19.8774 20.2962 20.2993 k = 0.0719 0.0415 0.1174 ( 911 PWs) bands (ev): -10.9537 -10.9535 1.0988 1.1100 1.1666 1.1979 1.3189 1.3195 2.3984 2.4190 2.4231 2.4622 5.9102 5.9160 6.5955 6.6035 6.7377 6.7506 8.4557 8.4598 19.0612 19.0705 19.8894 19.9095 20.2728 20.2759 k = 0.0668 0.0386 0.1091 ( 911 PWs) bands (ev): -10.9644 -10.9642 1.1049 1.1154 1.1628 1.1919 1.3150 1.3155 2.4015 2.4197 2.4247 2.4597 5.9859 5.9914 6.6227 6.6306 6.7462 6.7580 8.3592 8.3629 19.1660 19.1754 19.9171 19.9362 20.2511 20.2542 k = 0.0616 0.0356 0.1007 ( 915 PWs) bands (ev): -10.9743 -10.9742 1.1104 1.1203 1.1592 1.1861 1.3115 1.3119 2.4046 2.4205 2.4263 2.4573 6.0617 6.0669 6.6478 6.6556 6.7542 6.7647 8.2642 8.2675 19.2681 19.2775 19.9400 19.9580 20.2313 20.2344 k = 0.0565 0.0326 0.0923 ( 915 PWs) bands (ev): -10.9836 -10.9835 1.1157 1.1249 1.1560 1.1806 1.3086 1.3089 2.4075 2.4215 2.4277 2.4549 6.1377 6.1425 6.6707 6.6785 6.7616 6.7709 8.1708 8.1737 19.3666 19.3759 19.9591 19.9757 20.2137 20.2165 k = 0.0514 0.0297 0.0839 ( 913 PWs) bands (ev): -10.9921 -10.9920 1.1205 1.1289 1.1530 1.1754 1.3062 1.3064 2.4103 2.4227 2.4290 2.4528 6.2135 6.2180 6.6916 6.6993 6.7686 6.7765 8.0791 8.0816 19.4601 19.4691 19.9750 19.9901 20.1983 20.2009 k = 0.0462 0.0267 0.0755 ( 913 PWs) bands (ev): -10.9998 -10.9998 1.1248 1.1325 1.1505 1.1706 1.3043 1.3044 2.4129 2.4238 2.4301 2.4506 6.2890 6.2931 6.7103 6.7179 6.7751 6.7817 7.9893 7.9914 19.5473 19.5558 19.9891 20.0024 20.1852 20.1874 k = 0.0411 0.0237 0.0671 ( 913 PWs) bands (ev): -11.0068 -11.0068 1.1286 1.1355 1.1482 1.1661 1.3028 1.3029 2.4155 2.4249 2.4311 2.4485 6.3639 6.3677 6.7269 6.7344 6.7812 6.7864 7.9017 7.9035 19.6264 19.6340 20.0027 20.0140 20.1742 20.1759 k = 0.0360 0.0208 0.0587 ( 913 PWs) bands (ev): -11.0130 -11.0130 1.1319 1.1380 1.1463 1.1619 1.3017 1.3017 2.4179 2.4261 2.4319 2.4464 6.4377 6.4411 6.7413 6.7487 6.7869 6.7907 7.8167 7.8182 19.6953 19.7017 20.0176 20.0267 20.1651 20.1665 k = 0.0308 0.0178 0.0503 ( 913 PWs) bands (ev): -11.0184 -11.0184 1.1347 1.1401 1.1448 1.1582 1.3009 1.3009 2.4202 2.4272 2.4325 2.4444 6.5097 6.5128 6.7534 6.7606 6.7924 6.7947 7.7350 7.7361 19.7520 19.7568 20.0355 20.0422 20.1578 20.1588 k = 0.0257 0.0148 0.0419 ( 909 PWs) bands (ev): -11.0230 -11.0230 1.1372 1.1417 1.1438 1.1548 1.3004 1.3004 2.4225 2.4285 2.4330 2.4425 6.5790 6.5818 6.7634 6.7702 6.7975 6.7987 7.6575 7.6582 19.7951 19.7983 20.0570 20.0613 20.1520 20.1527 k = 0.0205 0.0119 0.0336 ( 909 PWs) bands (ev): -11.0268 -11.0268 1.1391 1.1428 1.1431 1.1518 1.3001 1.3001 2.4246 2.4296 2.4333 2.4405 6.6439 6.6463 6.7712 6.7773 6.8024 6.8027 7.5857 7.5861 19.8251 19.8268 20.0808 20.0831 20.1475 20.1479 k = 0.0154 0.0089 0.0252 ( 905 PWs) bands (ev): -11.0297 -11.0297 1.1407 1.1428 1.1436 1.1493 1.3000 1.3000 2.4268 2.4306 2.4335 2.4386 6.7017 6.7036 6.7772 6.7821 6.8070 6.8071 7.5220 7.5223 19.8443 19.8450 20.1040 20.1050 20.1441 20.1443 k = 0.0103 0.0059 0.0168 ( 897 PWs) bands (ev): -11.0319 -11.0319 1.1419 1.1431 1.1441 1.1471 1.2999 1.2999 2.4291 2.4317 2.4337 2.4369 6.7481 6.7494 6.7815 6.7849 6.8118 6.8120 7.4703 7.4704 19.8555 19.8557 20.1232 20.1234 20.1418 20.1419 k = 0.0051 0.0030 0.0084 ( 893 PWs) bands (ev): -11.0331 -11.0331 1.1429 1.1436 1.1442 1.1454 1.2999 1.2999 2.4312 2.4325 2.4336 2.4351 6.7769 6.7775 6.7843 6.7861 6.8177 6.8178 7.4356 7.4356 19.8613 19.8613 20.1356 20.1357 20.1404 20.1404 k = 0.0000 0.0000 0.0000 ( 893 PWs) bands (ev): -11.0335 -11.0335 1.1440 1.1440 1.1440 1.1440 1.2999 1.2999 2.4331 2.4331 2.4331 2.4331 6.7859 6.7859 6.7859 6.7859 6.8213 6.8213 7.4232 7.4232 19.8631 19.8631 20.1399 20.1399 20.1399 20.1399 k = 0.0000 0.0000 0.0000 ( 893 PWs) bands (ev): -11.0335 -11.0335 1.1440 1.1440 1.1440 1.1440 1.2999 1.2999 2.4331 2.4331 2.4331 2.4331 6.7859 6.7859 6.7859 6.7859 6.8213 6.8213 7.4232 7.4232 19.8631 19.8631 20.1399 20.1399 20.1399 20.1399 k = 0.0085 0.0049 0.0035 ( 893 PWs) bands (ev): -11.0331 -11.0331 1.1429 1.1438 1.1438 1.1454 1.2999 1.2999 2.4311 2.4331 2.4331 2.4352 6.7769 6.7769 6.7844 6.7863 6.8177 6.8177 7.4358 7.4358 19.8613 19.8613 20.1354 20.1354 20.1406 20.1406 k = 0.0169 0.0098 0.0069 ( 899 PWs) bands (ev): -11.0318 -11.0318 1.1422 1.1433 1.1433 1.1473 1.2999 1.2999 2.4289 2.4326 2.4326 2.4370 6.7471 6.7471 6.7818 6.7856 6.8121 6.8121 7.4712 7.4712 19.8554 19.8554 20.1223 20.1223 20.1426 20.1427 k = 0.0254 0.0147 0.0104 ( 905 PWs) bands (ev): -11.0297 -11.0297 1.1418 1.1426 1.1426 1.1494 1.3000 1.3000 2.4267 2.4320 2.4320 2.4389 6.6991 6.6991 6.7782 6.7839 6.8075 6.8075 7.5237 7.5237 19.8435 19.8435 20.1028 20.1028 20.1460 20.1461 k = 0.0339 0.0196 0.0138 ( 911 PWs) bands (ev): -11.0267 -11.0267 1.1415 1.1415 1.1417 1.1520 1.3001 1.3001 2.4245 2.4312 2.4312 2.4407 6.6392 6.6392 6.7735 6.7811 6.8030 6.8030 7.5882 7.5882 19.8228 19.8228 20.0806 20.0806 20.1506 20.1507 k = 0.0424 0.0245 0.0173 ( 917 PWs) bands (ev): -11.0228 -11.0228 1.1401 1.1401 1.1421 1.1549 1.3004 1.3004 2.4224 2.4303 2.4303 2.4426 6.5717 6.5717 6.7678 6.7773 6.7979 6.7979 7.6607 7.6607 19.7893 19.7893 20.0600 20.0600 20.1564 20.1566 k = 0.0508 0.0294 0.0208 ( 917 PWs) bands (ev): -11.0181 -11.0181 1.1384 1.1384 1.1429 1.1582 1.3009 1.3009 2.4204 2.4293 2.4293 2.4446 6.4995 6.4995 6.7612 6.7725 6.7920 6.7920 7.7387 7.7387 19.7402 19.7402 20.0447 20.0447 20.1633 20.1636 k = 0.0593 0.0342 0.0242 ( 917 PWs) bands (ev): -11.0126 -11.0126 1.1362 1.1362 1.1440 1.1618 1.3016 1.3016 2.4185 2.4283 2.4283 2.4466 6.4241 6.4241 6.7535 6.7666 6.7852 6.7852 7.8208 7.8208 19.6752 19.6752 20.0360 20.0360 20.1713 20.1716 k = 0.0678 0.0391 0.0277 ( 917 PWs) bands (ev): -11.0063 -11.0063 1.1336 1.1336 1.1455 1.1658 1.3027 1.3027 2.4167 2.4271 2.4271 2.4487 6.3465 6.3465 6.7448 6.7597 6.7775 6.7775 7.9060 7.9060 19.5961 19.5961 20.0331 20.0331 20.1802 20.1805 k = 0.0763 0.0440 0.0311 ( 917 PWs) bands (ev): -10.9992 -10.9992 1.1305 1.1305 1.1474 1.1701 1.3042 1.3042 2.4149 2.4257 2.4257 2.4507 6.2673 6.2673 6.7352 6.7519 6.7689 6.7689 7.9936 7.9936 19.5051 19.5051 20.0346 20.0346 20.1899 20.1902 k = 0.0847 0.0489 0.0346 ( 914 PWs) bands (ev): -10.9913 -10.9913 1.1272 1.1272 1.1496 1.1747 1.3061 1.3061 2.4132 2.4242 2.4242 2.4528 6.1871 6.1871 6.7246 6.7430 6.7593 6.7593 8.0831 8.0831 19.4044 19.4044 20.0391 20.0391 20.2002 20.2006 k = 0.0932 0.0538 0.0381 ( 914 PWs) bands (ev): -10.9826 -10.9826 1.1232 1.1232 1.1521 1.1796 1.3084 1.3084 2.4115 2.4227 2.4227 2.4549 6.1059 6.1059 6.7131 6.7333 6.7489 6.7489 8.1743 8.1743 19.2958 19.2958 20.0457 20.0457 20.2110 20.2114 k = 0.1017 0.0587 0.0415 ( 914 PWs) bands (ev): -10.9732 -10.9732 1.1187 1.1187 1.1549 1.1848 1.3112 1.3112 2.4100 2.4210 2.4210 2.4571 6.0240 6.0240 6.7008 6.7226 6.7376 6.7376 8.2670 8.2670 19.1808 19.1808 20.0539 20.0539 20.2221 20.2225 k = 0.1102 0.0636 0.0450 ( 914 PWs) bands (ev): -10.9630 -10.9630 1.1139 1.1139 1.1580 1.1902 1.3146 1.3146 2.4086 2.4192 2.4192 2.4593 5.9415 5.9415 6.6876 6.7111 6.7255 6.7255 8.3610 8.3610 19.0604 19.0604 20.0630 20.0630 20.2333 20.2337 k = 0.1186 0.0685 0.0484 ( 914 PWs) bands (ev): -10.9522 -10.9522 1.1087 1.1087 1.1613 1.1958 1.3184 1.3184 2.4074 2.4174 2.4174 2.4615 5.8585 5.8585 6.6737 6.6986 6.7126 6.7126 8.4561 8.4561 18.9358 18.9358 20.0726 20.0726 20.2445 20.2448 k = 0.1271 0.0734 0.0519 ( 914 PWs) bands (ev): -10.9407 -10.9407 1.1032 1.1032 1.1650 1.2016 1.3228 1.3228 2.4062 2.4155 2.4155 2.4638 5.7751 5.7751 6.6589 6.6854 6.6989 6.6989 8.5523 8.5523 18.8078 18.8078 20.0825 20.0825 20.2553 20.2556 k = 0.1356 0.0783 0.0554 ( 914 PWs) bands (ev): -10.9286 -10.9286 1.0974 1.0974 1.1688 1.2076 1.3276 1.3276 2.4053 2.4136 2.4136 2.4662 5.6913 5.6913 6.6435 6.6714 6.6845 6.6845 8.6495 8.6495 18.6772 18.6772 20.0922 20.0922 20.2656 20.2659 k = 0.1441 0.0832 0.0588 ( 914 PWs) bands (ev): -10.9158 -10.9158 1.0916 1.0916 1.1729 1.2137 1.3329 1.3329 2.4046 2.4116 2.4116 2.4686 5.6071 5.6071 6.6273 6.6566 6.6694 6.6694 8.7475 8.7475 18.5447 18.5447 20.1017 20.1017 20.2753 20.2756 k = 0.1525 0.0881 0.0623 ( 914 PWs) bands (ev): -10.9025 -10.9025 1.0856 1.0856 1.1772 1.2200 1.3386 1.3386 2.4040 2.4097 2.4097 2.4711 5.5226 5.5226 6.6106 6.6412 6.6537 6.6537 8.8464 8.8464 18.4108 18.4108 20.1105 20.1105 20.2840 20.2843 k = 0.1610 0.0930 0.0657 ( 911 PWs) bands (ev): -10.8886 -10.8886 1.0797 1.0797 1.1818 1.2265 1.3448 1.3448 2.4038 2.4078 2.4078 2.4738 5.4378 5.4378 6.5932 6.6251 6.6373 6.6373 8.9459 8.9459 18.2760 18.2760 20.1184 20.1184 20.2917 20.2919 k = 0.1695 0.0979 0.0692 ( 911 PWs) bands (ev): -10.8742 -10.8742 1.0739 1.0739 1.1864 1.2329 1.3512 1.3512 2.4037 2.4059 2.4059 2.4765 5.3527 5.3527 6.5752 6.6083 6.6204 6.6204 9.0461 9.0461 18.1408 18.1408 20.1254 20.1254 20.2981 20.2982 k = 0.1780 0.1027 0.0727 ( 914 PWs) bands (ev): -10.8594 -10.8594 1.0682 1.0682 1.1912 1.2394 1.3580 1.3580 2.4039 2.4040 2.4040 2.4793 5.2674 5.2674 6.5568 6.5910 6.6029 6.6029 9.1469 9.1469 18.0056 18.0056 20.1311 20.1311 20.3031 20.3031 k = 0.1864 0.1076 0.0761 ( 914 PWs) bands (ev): -10.8441 -10.8441 1.0629 1.0629 1.1961 1.2458 1.3650 1.3650 2.4022 2.4022 2.4044 2.4823 5.1819 5.1819 6.5379 6.5731 6.5849 6.5849 9.2482 9.2482 17.8707 17.8707 20.1354 20.1354 20.3063 20.3064 k = 0.1949 0.1125 0.0796 ( 914 PWs) bands (ev): -10.8284 -10.8284 1.0580 1.0580 1.2011 1.2523 1.3722 1.3722 2.4005 2.4005 2.4052 2.4854 5.0962 5.0962 6.5186 6.5547 6.5666 6.5666 9.3498 9.3498 17.7364 17.7364 20.1382 20.1382 20.3078 20.3080 k = 0.2034 0.1174 0.0830 ( 914 PWs) bands (ev): -10.8124 -10.8124 1.0536 1.0536 1.2062 1.2587 1.3797 1.3797 2.3989 2.3989 2.4064 2.4886 5.0104 5.0104 6.4989 6.5359 6.5478 6.5478 9.4518 9.4518 17.6031 17.6031 20.1393 20.1393 20.3075 20.3078 k = 0.2119 0.1223 0.0865 ( 914 PWs) bands (ev): -10.7960 -10.7960 1.0498 1.0498 1.2114 1.2651 1.3873 1.3873 2.3975 2.3975 2.4078 2.4919 4.9246 4.9246 6.4790 6.5168 6.5287 6.5287 9.5540 9.5540 17.4710 17.4710 20.1387 20.1387 20.3053 20.3058 k = 0.2203 0.1272 0.0900 ( 914 PWs) bands (ev): -10.7794 -10.7794 1.0465 1.0465 1.2166 1.2713 1.3950 1.3950 2.3961 2.3961 2.4096 2.4954 4.8387 4.8387 6.4587 6.4972 6.5093 6.5093 9.6564 9.6564 17.3401 17.3401 20.1364 20.1364 20.3011 20.3017 k = 0.2288 0.1321 0.0934 ( 914 PWs) bands (ev): -10.7625 -10.7625 1.0440 1.0440 1.2218 1.2774 1.4028 1.4028 2.3949 2.3949 2.4118 2.4990 4.7528 4.7528 6.4383 6.4774 6.4897 6.4897 9.7588 9.7588 17.2109 17.2109 20.1322 20.1322 20.2949 20.2958 k = 0.2373 0.1370 0.0969 ( 908 PWs) bands (ev): -10.7455 -10.7455 1.0425 1.0425 1.2270 1.2834 1.4106 1.4106 2.3940 2.3940 2.4144 2.5028 4.6672 4.6672 6.4178 6.4573 6.4699 6.4699 9.8612 9.8612 17.0834 17.0834 20.1261 20.1261 20.2869 20.2879 k = 0.2458 0.1419 0.1003 ( 908 PWs) bands (ev): -10.7283 -10.7283 1.0417 1.0417 1.2323 1.2892 1.4184 1.4184 2.3931 2.3931 2.4173 2.5066 4.5816 4.5816 6.3971 6.4371 6.4500 6.4500 9.9635 9.9635 16.9577 16.9577 20.1183 20.1183 20.2769 20.2781 k = 0.2542 0.1468 0.1038 ( 905 PWs) bands (ev): -10.7111 -10.7111 1.0418 1.0418 1.2375 1.2948 1.4262 1.4262 2.3924 2.3924 2.4206 2.5106 4.4964 4.4964 6.3764 6.4167 6.4300 6.4300 10.0655 10.0655 16.8340 16.8340 20.1088 20.1088 20.2651 20.2665 k = 0.2627 0.1517 0.1073 ( 905 PWs) bands (ev): -10.6938 -10.6938 1.0429 1.0429 1.2426 1.3001 1.4339 1.4339 2.3918 2.3918 2.4243 2.5147 4.4114 4.4114 6.3558 6.3962 6.4100 6.4100 10.1671 10.1671 16.7124 16.7124 20.0976 20.0976 20.2516 20.2531 k = 0.2712 0.1566 0.1107 ( 905 PWs) bands (ev): -10.6765 -10.6765 1.0450 1.0450 1.2477 1.3053 1.4414 1.4414 2.3915 2.3915 2.4283 2.5188 4.3268 4.3268 6.3352 6.3757 6.3900 6.3900 10.2683 10.2683 16.5929 16.5929 20.0849 20.0849 20.2366 20.2383 k = 0.2797 0.1615 0.1142 ( 905 PWs) bands (ev): -10.6593 -10.6593 1.0482 1.0482 1.2528 1.3101 1.4489 1.4489 2.3913 2.3913 2.4326 2.5230 4.2427 4.2427 6.3148 6.3552 6.3701 6.3701 10.3690 10.3690 16.4757 16.4757 20.0708 20.0708 20.2201 20.2219 k = 0.2881 0.1664 0.1176 ( 905 PWs) bands (ev): -10.6422 -10.6422 1.0525 1.0525 1.2577 1.3147 1.4562 1.4562 2.3912 2.3912 2.4373 2.5273 4.1592 4.1592 6.2945 6.3348 6.3503 6.3503 10.4689 10.4689 16.3608 16.3608 20.0554 20.0554 20.2023 20.2043 k = 0.2966 0.1712 0.1211 ( 905 PWs) bands (ev): -10.6253 -10.6253 1.0580 1.0580 1.2627 1.3192 1.4634 1.4634 2.3912 2.3912 2.4422 2.5315 4.0764 4.0764 6.2746 6.3145 6.3308 6.3308 10.5679 10.5679 16.2483 16.2483 20.0389 20.0389 20.1835 20.1856 k = 0.3051 0.1761 0.1246 ( 905 PWs) bands (ev): -10.6086 -10.6086 1.0647 1.0647 1.2675 1.3232 1.4703 1.4703 2.3915 2.3915 2.4476 2.5359 3.9945 3.9945 6.2549 6.2945 6.3115 6.3115 10.6661 10.6661 16.1384 16.1384 20.0215 20.0215 20.1637 20.1659 k = 0.3136 0.1810 0.1280 ( 905 PWs) bands (ev): -10.5921 -10.5921 1.0726 1.0726 1.2721 1.3269 1.4769 1.4769 2.3918 2.3918 2.4532 2.5402 3.9136 3.9136 6.2356 6.2746 6.2925 6.2925 10.7631 10.7631 16.0310 16.0310 20.0033 20.0033 20.1432 20.1455 k = 0.3220 0.1859 0.1315 ( 899 PWs) bands (ev): -10.5760 -10.5760 1.0817 1.0817 1.2767 1.3304 1.4834 1.4834 2.3924 2.3924 2.4593 2.5447 3.8338 3.8338 6.2168 6.2551 6.2739 6.2739 10.8590 10.8590 15.9262 15.9262 19.9844 19.9844 20.1222 20.1246 k = 0.3305 0.1908 0.1349 ( 896 PWs) bands (ev): -10.5602 -10.5602 1.0920 1.0920 1.2811 1.3336 1.4895 1.4895 2.3931 2.3931 2.4656 2.5491 3.7553 3.7553 6.1984 6.2360 6.2556 6.2556 10.9534 10.9534 15.8241 15.8241 19.9652 19.9652 20.1008 20.1033 k = 0.3390 0.1957 0.1384 ( 899 PWs) bands (ev): -10.5448 -10.5448 1.1035 1.1035 1.2853 1.3363 1.4953 1.4953 2.3936 2.3936 2.4719 2.5533 3.6782 3.6782 6.1805 6.2172 6.2379 6.2379 11.0462 11.0462 15.7248 15.7248 19.9457 19.9457 20.0792 20.0817 k = 0.3475 0.2006 0.1418 ( 899 PWs) bands (ev): -10.5299 -10.5299 1.1162 1.1162 1.2895 1.3388 1.5008 1.5008 2.3941 2.3941 2.4784 2.5574 3.6028 3.6028 6.1632 6.1989 6.2206 6.2206 11.1374 11.1374 15.6283 15.6283 19.9261 19.9261 20.0577 20.0602 k = 0.3559 0.2055 0.1453 ( 905 PWs) bands (ev): -10.5155 -10.5155 1.1299 1.1299 1.2934 1.3410 1.5060 1.5060 2.3944 2.3944 2.4849 2.5612 3.5290 3.5290 6.1466 6.1812 6.2040 6.2040 11.2265 11.2265 15.5347 15.5347 19.9066 19.9066 20.0363 20.0389 k = 0.3644 0.2104 0.1488 ( 911 PWs) bands (ev): -10.5016 -10.5016 1.1447 1.1447 1.2971 1.3427 1.5108 1.5108 2.3947 2.3947 2.4916 2.5649 3.4573 3.4573 6.1307 6.1640 6.1879 6.1879 11.3136 11.3136 15.4442 15.4442 19.8874 19.8874 20.0153 20.0178 k = 0.3729 0.2153 0.1522 ( 911 PWs) bands (ev): -10.4884 -10.4884 1.1606 1.1606 1.3009 1.3444 1.5153 1.5153 2.3948 2.3948 2.4984 2.5685 3.3879 3.3879 6.1155 6.1474 6.1726 6.1726 11.3983 11.3983 15.3569 15.3569 19.8686 19.8686 19.9948 19.9973 k = 0.3814 0.2202 0.1557 ( 911 PWs) bands (ev): -10.4757 -10.4757 1.1773 1.1773 1.3045 1.3457 1.5196 1.5196 2.3947 2.3947 2.5052 2.5718 3.3209 3.3209 6.1012 6.1316 6.1580 6.1580 11.4803 11.4803 15.2729 15.2729 19.8503 19.8503 19.9750 19.9774 k = 0.3898 0.2251 0.1591 ( 911 PWs) bands (ev): -10.4638 -10.4638 1.1947 1.1947 1.3079 1.3468 1.5236 1.5236 2.3943 2.3943 2.5120 2.5749 3.2567 3.2567 6.0877 6.1165 6.1441 6.1441 11.5595 11.5595 15.1925 15.1925 19.8327 19.8327 19.9559 19.9583 k = 0.3983 0.2300 0.1626 ( 899 PWs) bands (ev): -10.4526 -10.4526 1.2127 1.2127 1.3114 1.3477 1.5273 1.5273 2.3938 2.3938 2.5191 2.5781 3.1956 3.1956 6.0752 6.1022 6.1312 6.1312 11.6354 11.6354 15.1158 15.1158 19.8159 19.8159 19.9379 19.9401 k = 0.4068 0.2349 0.1661 ( 899 PWs) bands (ev): -10.4421 -10.4421 1.2311 1.2311 1.3146 1.3483 1.5307 1.5307 2.3926 2.3926 2.5257 2.5805 3.1378 3.1378 6.0635 6.0887 6.1190 6.1190 11.7078 11.7078 15.0431 15.0431 19.8000 19.8000 19.9208 19.9229 k = 0.4153 0.2397 0.1695 ( 899 PWs) bands (ev): -10.4324 -10.4324 1.2497 1.2497 1.3176 1.3486 1.5337 1.5337 2.3908 2.3908 2.5322 2.5827 3.0838 3.0838 6.0529 6.0761 6.1078 6.1078 11.7763 11.7763 14.9746 14.9746 19.7852 19.7852 19.9049 19.9068 k = 0.4237 0.2446 0.1730 ( 893 PWs) bands (ev): -10.4235 -10.4235 1.2682 1.2682 1.3205 1.3487 1.5364 1.5364 2.3887 2.3887 2.5386 2.5846 3.0338 3.0338 6.0432 6.0645 6.0975 6.0975 11.8405 11.8405 14.9109 14.9109 19.7715 19.7715 19.8902 19.8920 k = 0.4322 0.2495 0.1764 ( 893 PWs) bands (ev): -10.4155 -10.4155 1.2863 1.2863 1.3233 1.3485 1.5388 1.5388 2.3858 2.3858 2.5446 2.5859 2.9882 2.9882 6.0347 6.0538 6.0882 6.0882 11.8998 11.8998 14.8520 14.8520 19.7590 19.7590 19.8768 19.8785 k = 0.4407 0.2544 0.1799 ( 899 PWs) bands (ev): -10.4084 -10.4084 1.3036 1.3036 1.3259 1.3482 1.5409 1.5409 2.3823 2.3823 2.5503 2.5867 2.9472 2.9472 6.0272 6.0441 6.0799 6.0799 11.9539 11.9539 14.7984 14.7984 19.7478 19.7478 19.8649 19.8664 k = 0.4492 0.2593 0.1834 ( 899 PWs) bands (ev): -10.4021 -10.4021 1.3198 1.3198 1.3285 1.3477 1.5427 1.5427 2.3785 2.3785 2.5557 2.5872 2.9114 2.9114 6.0208 6.0354 6.0726 6.0726 12.0023 12.0023 14.7507 14.7507 19.7379 19.7379 19.8544 19.8557 k = 0.4576 0.2642 0.1868 ( 899 PWs) bands (ev): -10.3968 -10.3968 1.3308 1.3345 1.3345 1.3469 1.5443 1.5443 2.3745 2.3745 2.5607 2.5872 2.8809 2.8809 6.0156 6.0279 6.0664 6.0664 12.0443 12.0443 14.7093 14.7093 19.7295 19.7295 19.8455 19.8466 k = 0.4661 0.2691 0.1903 ( 899 PWs) bands (ev): -10.3925 -10.3925 1.3331 1.3460 1.3472 1.3472 1.5455 1.5455 2.3705 2.3705 2.5654 2.5867 2.8559 2.8559 6.0115 6.0214 6.0614 6.0614 12.0796 12.0796 14.6746 14.6746 19.7225 19.7225 19.8381 19.8390 k = 0.4746 0.2740 0.1937 ( 899 PWs) bands (ev): -10.3890 -10.3890 1.3352 1.3449 1.3577 1.3577 1.5465 1.5465 2.3669 2.3669 2.5697 2.5857 2.8364 2.8364 6.0086 6.0160 6.0574 6.0574 12.1076 12.1076 14.6471 14.6471 19.7171 19.7171 19.8324 19.8331 k = 0.4831 0.2789 0.1972 ( 899 PWs) bands (ev): -10.3866 -10.3866 1.3372 1.3437 1.3654 1.3654 1.5471 1.5471 2.3640 2.3640 2.5735 2.5843 2.8225 2.8225 6.0069 6.0119 6.0545 6.0545 12.1280 12.1280 14.6272 14.6272 19.7132 19.7132 19.8283 19.8288 k = 0.4915 0.2838 0.2007 ( 890 PWs) bands (ev): -10.3851 -10.3851 1.3392 1.3424 1.3702 1.3702 1.5477 1.5477 2.3623 2.3623 2.5772 2.5825 2.8142 2.8142 6.0064 6.0089 6.0529 6.0529 12.1403 12.1403 14.6151 14.6151 19.7108 19.7108 19.8259 19.8261 k = 0.5000 0.2887 0.2041 ( 886 PWs) bands (ev): -10.3846 -10.3846 1.3409 1.3409 1.3718 1.3718 1.5478 1.5478 2.3617 2.3617 2.5801 2.5801 2.8116 2.8116 6.0070 6.0070 6.0523 6.0523 12.1444 12.1444 14.6111 14.6111 19.7100 19.7100 19.8252 19.8252 k = 0.5000 0.2887 0.2041 ( 886 PWs) bands (ev): -10.3846 -10.3846 1.3409 1.3409 1.3718 1.3718 1.5478 1.5478 2.3617 2.3617 2.5801 2.5801 2.8116 2.8116 6.0070 6.0070 6.0523 6.0523 12.1444 12.1444 14.6111 14.6111 19.7100 19.7100 19.8252 19.8252 k = 0.5030 0.2801 0.2090 ( 891 PWs) bands (ev): -10.3845 -10.3843 1.3408 1.3408 1.3717 1.3734 1.5475 1.5482 2.3605 2.3629 2.5801 2.5801 2.8111 2.8120 6.0051 6.0052 6.0502 6.0509 12.1475 12.1485 14.6105 14.6110 19.7056 19.7062 19.8212 19.8212 k = 0.5060 0.2715 0.2138 ( 894 PWs) bands (ev): -10.3841 -10.3836 1.3406 1.3408 1.3730 1.3766 1.5474 1.5489 2.3595 2.3643 2.5804 2.5804 2.8105 2.8122 5.9992 5.9998 6.0452 6.0462 12.1575 12.1596 14.6093 14.6103 19.6906 19.6918 19.8120 19.8120 k = 0.5089 0.2629 0.2187 ( 894 PWs) bands (ev): -10.3832 -10.3825 1.3403 1.3410 1.3757 1.3813 1.5476 1.5498 2.3589 2.3660 2.5810 2.5810 2.8098 2.8125 5.9884 5.9902 6.0381 6.0387 12.1746 12.1777 14.6075 14.6090 19.6599 19.6616 19.8037 19.8037 k = 0.5119 0.2543 0.2236 ( 896 PWs) bands (ev): -10.3819 -10.3810 1.3398 1.3412 1.3797 1.3877 1.5479 1.5511 2.3584 2.3677 2.5818 2.5818 2.8088 2.8125 5.9720 5.9759 6.0292 6.0298 12.1985 12.2027 14.6051 14.6071 19.6107 19.6125 19.8006 19.8007 k = 0.5149 0.2457 0.2284 ( 896 PWs) bands (ev): -10.3802 -10.3791 1.3390 1.3416 1.3850 1.3956 1.5486 1.5528 2.3582 2.3697 2.5828 2.5828 2.8079 2.8127 5.9497 5.9561 6.0184 6.0208 12.2292 12.2342 14.6020 14.6046 19.5445 19.5462 19.8029 19.8032 k = 0.5179 0.2371 0.2333 ( 896 PWs) bands (ev): -10.3782 -10.3768 1.3380 1.3419 1.3915 1.4050 1.5497 1.5549 2.3581 2.3718 2.5841 2.5841 2.8068 2.8128 5.9218 5.9309 6.0068 6.0109 12.2662 12.2722 14.5984 14.6014 19.4646 19.4660 19.8091 19.8097 k = 0.5208 0.2285 0.2381 ( 896 PWs) bands (ev): -10.3757 -10.3741 1.3366 1.3421 1.3994 1.4158 1.5513 1.5577 2.3583 2.3739 2.5857 2.5857 2.8055 2.8129 5.8888 5.9003 5.9942 6.0001 12.3095 12.3163 14.5941 14.5976 19.3739 19.3748 19.8184 19.8192 k = 0.5238 0.2199 0.2430 ( 894 PWs) bands (ev): -10.3730 -10.3711 1.3348 1.3422 1.4084 1.4281 1.5534 1.5611 2.3586 2.3762 2.5875 2.5876 2.8042 2.8130 5.8510 5.8648 5.9808 5.9883 12.3586 12.3663 14.5891 14.5931 19.2749 19.2751 19.8302 19.8312 k = 0.5268 0.2114 0.2479 ( 896 PWs) bands (ev): -10.3698 -10.3678 1.3325 1.3419 1.4185 1.4416 1.5562 1.5654 2.3590 2.3784 2.5895 2.5897 2.8026 2.8132 5.8088 5.8248 5.9662 5.9752 12.4133 12.4217 14.5835 14.5880 19.1688 19.1694 19.8439 19.8451 k = 0.5298 0.2028 0.2527 ( 894 PWs) bands (ev): -10.3663 -10.3640 1.3298 1.3414 1.4297 1.4563 1.5600 1.5707 2.3596 2.3806 2.5918 2.5922 2.8010 2.8135 5.7626 5.7808 5.9505 5.9610 12.4732 12.4823 14.5773 14.5823 19.0579 19.0594 19.8594 19.8608 k = 0.5327 0.1942 0.2576 ( 898 PWs) bands (ev): -10.3625 -10.3600 1.3265 1.3404 1.4418 1.4719 1.5649 1.5772 2.3602 2.3828 2.5942 2.5947 2.7992 2.8139 5.7128 5.7330 5.9337 5.9454 12.5379 12.5475 14.5704 14.5759 18.9436 18.9461 19.8765 19.8781 k = 0.5357 0.1856 0.2624 ( 898 PWs) bands (ev): -10.3584 -10.3557 1.3226 1.3390 1.4545 1.4884 1.5710 1.5851 2.3609 2.3849 2.5969 2.5978 2.7972 2.8146 5.6597 5.6820 5.9156 5.9287 12.6070 12.6171 14.5629 14.5688 18.8273 18.8310 19.8950 19.8968 k = 0.5387 0.1770 0.2673 ( 898 PWs) bands (ev): -10.3539 -10.3511 1.3182 1.3371 1.4678 1.5053 1.5787 1.5948 2.3617 2.3870 2.5997 2.6011 2.7952 2.8155 5.6038 5.6279 5.8965 5.9107 12.6801 12.6906 14.5547 14.5611 18.7101 18.7151 19.9147 19.9167 k = 0.5417 0.1684 0.2722 ( 900 PWs) bands (ev): -10.3492 -10.3462 1.3131 1.3345 1.4812 1.5223 1.5882 1.6065 2.3624 2.3890 2.6026 2.6047 2.7932 2.8166 5.5452 5.5713 5.8762 5.8916 12.7566 12.7674 14.5459 14.5528 18.5929 18.5993 19.9356 19.9377 k = 0.5446 0.1598 0.2770 ( 898 PWs) bands (ev): -10.3443 -10.3410 1.3076 1.3315 1.4946 1.5391 1.5997 1.6208 2.3632 2.3909 2.6056 2.6086 2.7911 2.8182 5.4844 5.5124 5.8548 5.8714 12.8362 12.8472 14.5366 14.5439 18.4766 18.4844 19.9575 19.9597 k = 0.5476 0.1512 0.2819 ( 904 PWs) bands (ev): -10.3391 -10.3356 1.3013 1.3278 1.5078 1.5551 1.6134 1.6379 2.3637 2.3926 2.6084 2.6125 2.7889 2.8202 5.4217 5.4515 5.8324 5.8501 12.9183 12.9294 14.5267 14.5344 18.3619 18.3712 19.9803 19.9825 k = 0.5506 0.1426 0.2867 ( 904 PWs) bands (ev): -10.3336 -10.3300 1.2946 1.3235 1.5207 1.5703 1.6293 1.6578 2.3644 2.3943 2.6113 2.6168 2.7868 2.8227 5.3574 5.3890 5.8090 5.8279 13.0024 13.0135 14.5165 14.5245 18.2494 18.2604 20.0037 20.0061 k = 0.5536 0.1340 0.2916 ( 904 PWs) bands (ev): -10.3280 -10.3242 1.2874 1.3187 1.5332 1.5848 1.6474 1.6805 2.3650 2.3960 2.6140 2.6212 2.7849 2.8258 5.2919 5.3252 5.7847 5.8046 13.0879 13.0989 14.5059 14.5143 18.1398 18.1524 20.0278 20.0303 k = 0.5565 0.1254 0.2965 ( 902 PWs) bands (ev): -10.3222 -10.3183 1.2797 1.3133 1.5454 1.5988 1.6675 1.7057 2.3656 2.3976 2.6166 2.6255 2.7832 2.8295 5.2253 5.2605 5.7596 5.7806 13.1741 13.1848 14.4953 14.5039 18.0335 18.0479 20.0524 20.0549 k = 0.5595 0.1168 0.3013 ( 901 PWs) bands (ev): -10.3163 -10.3122 1.2715 1.3074 1.5573 1.6125 1.6894 1.7329 2.3660 2.3993 2.6187 2.6298 2.7818 2.8339 5.1581 5.1951 5.7337 5.7557 13.2603 13.2706 14.4848 14.4935 17.9311 17.9472 20.0773 20.0798 k = 0.5625 0.1083 0.3062 ( 901 PWs) bands (ev): -10.3103 -10.3060 1.2630 1.3010 1.5692 1.6260 1.7128 1.7620 2.3664 2.4010 2.6205 2.6337 2.7808 2.8390 5.0906 5.1293 5.7072 5.7301 13.3457 13.3554 14.4748 14.4836 17.8330 17.8509 20.1024 20.1050 k = 0.5655 0.0997 0.3110 ( 901 PWs) bands (ev): -10.3041 -10.2997 1.2541 1.2942 1.5810 1.6396 1.7374 1.7926 2.3667 2.4028 2.6219 2.6372 2.7803 2.8447 5.0230 5.0635 5.6800 5.7039 13.4293 13.4382 14.4660 14.4746 17.7396 17.7594 20.1276 20.1302 k = 0.5685 0.0911 0.3159 ( 900 PWs) bands (ev): -10.2979 -10.2934 1.2449 1.2870 1.5929 1.6533 1.7630 1.8245 2.3669 2.4048 2.6229 2.6401 2.7805 2.8511 4.9557 4.9980 5.6523 5.6770 13.5098 13.5176 14.4589 14.4673 17.6512 17.6730 20.1527 20.1553 k = 0.5714 0.0825 0.3208 ( 904 PWs) bands (ev): -10.2917 -10.2870 1.2354 1.2794 1.6048 1.6670 1.7892 1.8575 2.3672 2.4072 2.6234 2.6422 2.7814 2.8580 4.8890 4.9330 5.6241 5.6497 13.5857 13.5922 14.4547 14.4625 17.5684 17.5921 20.1777 20.1803 k = 0.5744 0.0739 0.3256 ( 902 PWs) bands (ev): -10.2854 -10.2806 1.2258 1.2716 1.6168 1.6810 1.8160 1.8914 2.3674 2.4101 2.6236 2.6436 2.7832 2.8655 4.8232 4.8690 5.5956 5.6220 13.6553 13.6601 14.4547 14.4617 17.4915 17.5171 20.2025 20.2050 k = 0.5774 0.0653 0.3305 ( 904 PWs) bands (ev): -10.2792 -10.2743 1.2159 1.2634 1.6288 1.6950 1.8428 1.9260 2.3678 2.4135 2.6233 2.6440 2.7857 2.8732 4.7586 4.8062 5.5667 5.5940 13.7166 13.7194 14.4603 14.4662 17.4207 17.4482 20.2269 20.2294 k = 0.5804 0.0567 0.3353 ( 905 PWs) bands (ev): -10.2730 -10.2680 1.2060 1.2551 1.6410 1.7091 1.8694 1.9611 2.3683 2.4178 2.6228 2.6436 2.7889 2.8812 4.6956 4.7450 5.5377 5.5657 13.7673 13.7678 14.4733 14.4778 17.3564 17.3859 20.2508 20.2532 k = 0.5833 0.0481 0.3402 ( 905 PWs) bands (ev): -10.2669 -10.2619 1.1959 1.2465 1.6531 1.7233 1.8955 1.9963 2.3691 2.4232 2.6220 2.6424 2.7928 2.8891 4.6345 4.6856 5.5086 5.5372 13.8038 13.8056 14.4947 14.4978 17.2989 17.3303 20.2741 20.2765 k = 0.5863 0.0395 0.3451 ( 905 PWs) bands (ev): -10.2609 -10.2558 1.1857 1.2378 1.6652 1.7374 1.9206 2.0315 2.3702 2.4299 2.6212 2.6407 2.7970 2.8969 4.5756 4.6286 5.4795 5.5088 13.8265 13.8305 14.5249 14.5267 17.2484 17.2817 20.2968 20.2991 k = 0.5893 0.0309 0.3499 ( 901 PWs) bands (ev): -10.2551 -10.2499 1.1755 1.2289 1.6774 1.7516 1.9444 2.0660 2.3718 2.4382 2.6204 2.6389 2.8014 2.9042 4.5195 4.5743 5.4504 5.4803 13.8363 13.8423 14.5631 14.5639 17.2052 17.2403 20.3188 20.3209 k = 0.5923 0.0223 0.3548 ( 899 PWs) bands (ev): -10.2494 -10.2442 1.1652 1.2199 1.6894 1.7656 1.9664 2.0995 2.3741 2.4484 2.6197 2.6371 2.8057 2.9109 4.4662 4.5229 5.4215 5.4520 13.8345 13.8420 14.6075 14.6077 17.1694 17.2063 20.3400 20.3420 k = 0.5952 0.0137 0.3596 ( 901 PWs) bands (ev): -10.2440 -10.2387 1.1549 1.2107 1.7012 1.7792 1.9861 2.1312 2.3772 2.4606 2.6194 2.6359 2.8095 2.9165 4.4164 4.4749 5.3929 5.4239 13.8230 13.8316 14.6560 14.6560 17.1411 17.1796 20.3603 20.3621 k = 0.5982 0.0052 0.3645 ( 901 PWs) bands (ev): -10.2387 -10.2334 1.1446 1.2014 1.7128 1.7926 2.0032 2.1603 2.3813 2.4748 2.6198 2.6361 2.8127 2.9209 4.3703 4.4307 5.3647 5.3960 13.8035 13.8126 14.7066 14.7067 17.1204 17.1603 20.3797 20.3814 k = 0.6012-0.0034 0.3694 ( 901 PWs) bands (ev): -10.2338 -10.2284 1.1343 1.1920 1.7242 1.8058 2.0174 2.1861 2.3863 2.4909 2.6214 2.6382 2.8150 2.9239 4.3283 4.3907 5.3369 5.3686 13.7774 13.7869 14.7575 14.7580 17.1070 17.1483 20.3982 20.3996 k = 0.6042-0.0120 0.3742 ( 901 PWs) bands (ev): -10.2291 -10.2238 1.1240 1.1825 1.7352 1.8184 2.0286 2.2077 2.3922 2.5083 2.6249 2.6434 2.8161 2.9250 4.2908 4.3552 5.3097 5.3417 13.7460 13.7555 14.8075 14.8086 17.1009 17.1434 20.4157 20.4169 k = 0.6071-0.0206 0.3791 ( 905 PWs) bands (ev): -10.2248 -10.2195 1.1137 1.1728 1.7457 1.8303 2.0366 2.2246 2.3982 2.5257 2.6317 2.6526 2.8161 2.9240 4.2581 4.3246 5.2832 5.3154 13.7103 13.7196 14.8556 14.8574 17.1017 17.1452 20.4321 20.4331 k = 0.6101-0.0292 0.3839 ( 905 PWs) bands (ev): -10.2209 -10.2155 1.1035 1.1631 1.7559 1.8417 2.0417 2.2369 2.4036 2.5413 2.6434 2.6666 2.8148 2.9209 4.2304 4.2990 5.2574 5.2898 13.6710 13.6798 14.9013 14.9038 17.1090 17.1534 20.4475 20.4482 k = 0.6131-0.0378 0.3888 ( 901 PWs) bands (ev): -10.2173 -10.2119 1.0934 1.1534 1.7657 1.8525 2.0440 2.2449 2.4075 2.5534 2.6616 2.6857 2.8125 2.9155 4.2080 4.2788 5.2326 5.2649 13.6286 13.6369 14.9441 14.9474 17.1224 17.1674 20.4618 20.4622 k = 0.6161-0.0464 0.3937 ( 901 PWs) bands (ev): -10.2141 -10.2088 1.0832 1.1434 1.7748 1.8624 2.0438 2.2489 2.4092 2.5616 2.6863 2.7091 2.8097 2.9077 4.1910 4.2641 5.2086 5.2410 13.5836 13.5912 14.9839 14.9880 17.1412 17.1866 20.4750 20.4751 k = 0.6190-0.0550 0.3985 ( 900 PWs) bands (ev): -10.2114 -10.2061 1.0731 1.1333 1.7833 1.8714 2.0412 2.2495 2.4090 2.5668 2.7164 2.7345 2.8084 2.8976 4.1795 4.2548 5.1858 5.2181 13.5363 13.5432 15.0209 15.0257 17.1647 17.2103 20.4869 20.4871 k = 0.6220-0.0636 0.4034 ( 902 PWs) bands (ev): -10.2091 -10.2039 1.0630 1.1231 1.7911 1.8794 2.0366 2.2470 2.4071 2.5701 2.7504 2.7546 2.8151 2.8854 4.1733 4.2508 5.1641 5.1962 13.4870 13.4932 15.0550 15.0605 17.1923 17.2379 20.4976 20.4981 k = 0.6250-0.0722 0.4082 ( 902 PWs) bands (ev): -10.2073 -10.2021 1.0529 1.1127 1.7982 1.8864 2.0303 2.2417 2.4043 2.5722 2.7602 2.7865 2.8383 2.8720 4.1725 4.2521 5.1437 5.1755 13.4361 13.4413 15.0867 15.0928 17.2231 17.2685 20.5072 20.5081 k = 0.6250-0.0722 0.4082 ( 902 PWs) bands (ev): -10.2073 -10.2021 1.0529 1.1127 1.7982 1.8864 2.0303 2.2417 2.4043 2.5722 2.7602 2.7865 2.8383 2.8720 4.1725 4.2521 5.1437 5.1755 13.4361 13.4413 15.0867 15.0928 17.2231 17.2685 20.5072 20.5081 k = 0.6200-0.0693 0.4164 ( 902 PWs) bands (ev): -10.2073 -10.2021 1.0533 1.1134 1.7978 1.8863 2.0303 2.2411 2.4034 2.5712 2.7599 2.7886 2.8403 2.8724 4.1721 4.2516 5.1416 5.1741 13.4382 13.4434 15.0878 15.0939 17.2235 17.2689 20.4766 20.4963 k = 0.6150-0.0664 0.4246 ( 902 PWs) bands (ev): -10.2071 -10.2019 1.0544 1.1153 1.7965 1.8858 2.0304 2.2392 2.4010 2.5683 2.7588 2.7951 2.8458 2.8740 4.1708 4.2503 5.1354 5.1698 13.4445 13.4498 15.0910 15.0971 17.2244 17.2700 20.4090 20.4452 k = 0.6100-0.0635 0.4327 ( 904 PWs) bands (ev): -10.2068 -10.2016 1.0563 1.1185 1.7944 1.8852 2.0305 2.2360 2.3972 2.5640 2.7572 2.8057 2.8533 2.8773 4.1687 4.2480 5.1252 5.1626 13.4548 13.4604 15.0964 15.1025 17.2259 17.2718 20.3144 20.3631 k = 0.6050-0.0606 0.4409 ( 906 PWs) bands (ev): -10.2064 -10.2012 1.0589 1.1229 1.7916 1.8843 2.0304 2.2316 2.3921 2.5588 2.7553 2.8199 2.8608 2.8842 4.1657 4.2447 5.1114 5.1525 13.4691 13.4749 15.1039 15.1100 17.2282 17.2744 20.2019 20.2597 k = 0.6000-0.0577 0.4491 ( 906 PWs) bands (ev): -10.2059 -10.2007 1.0623 1.1285 1.7881 1.8834 2.0301 2.2259 2.3863 2.5534 2.7536 2.8369 2.8662 2.8958 4.1618 4.2405 5.0943 5.1397 13.4871 13.4932 15.1134 15.1197 17.2312 17.2779 20.0781 20.1426 k = 0.5950-0.0548 0.4572 ( 906 PWs) bands (ev): -10.2054 -10.2000 1.0663 1.1353 1.7842 1.8825 2.0294 2.2189 2.3801 2.5483 2.7522 2.8559 2.8702 2.9113 4.1569 4.2351 5.0742 5.1243 13.5085 13.5149 15.1251 15.1314 17.2350 17.2823 19.9473 20.0168 k = 0.5900-0.0520 0.4654 ( 904 PWs) bands (ev): -10.2047 -10.1993 1.0710 1.1432 1.7799 1.8818 2.0282 2.2106 2.3737 2.5437 2.7513 2.8716 2.8789 2.9293 4.1511 4.2286 5.0515 5.1067 13.5329 13.5397 15.1387 15.1451 17.2399 17.2879 19.8124 19.8859 k = 0.5850-0.0491 0.4736 ( 906 PWs) bands (ev): -10.2039 -10.1985 1.0762 1.1520 1.7752 1.8810 2.0261 2.2012 2.3674 2.5398 2.7507 2.8756 2.9003 2.9489 4.1441 4.2208 5.0266 5.0870 13.5600 13.5672 15.1542 15.1608 17.2457 17.2946 19.6754 19.7520 k = 0.5800-0.0462 0.4817 ( 906 PWs) bands (ev): -10.2031 -10.1976 1.0820 1.1617 1.7705 1.8807 2.0232 2.1907 2.3614 2.5368 2.7506 2.8790 2.9235 2.9698 4.1361 4.2117 5.0001 5.0658 13.5892 13.5970 15.1715 15.1783 17.2529 17.3027 19.5376 19.6168 k = 0.5750-0.0433 0.4899 ( 904 PWs) bands (ev): -10.2021 -10.1966 1.0881 1.1722 1.7660 1.8807 2.0193 2.1792 2.3560 2.5346 2.7508 2.8825 2.9475 2.9915 4.1269 4.2011 4.9724 5.0433 13.6202 13.6286 15.1905 15.1975 17.2614 17.3123 19.4001 19.4816 k = 0.5700-0.0404 0.4981 ( 905 PWs) bands (ev): -10.2012 -10.1956 1.0946 1.1832 1.7616 1.8811 2.0144 2.1670 2.3511 2.5333 2.7515 2.8863 2.9719 3.0139 4.1165 4.1890 4.9440 5.0201 13.6525 13.6615 15.2109 15.2182 17.2717 17.3238 19.2637 19.3471 k = 0.5650-0.0375 0.5062 ( 905 PWs) bands (ev): -10.2002 -10.1946 1.1013 1.1948 1.7576 1.8821 2.0084 2.1541 2.3469 2.5326 2.7524 2.8903 2.9964 3.0365 4.1048 4.1752 4.9154 4.9965 13.6855 13.6953 15.2325 15.2402 17.2838 17.3373 19.1290 19.2141 k = 0.5600-0.0346 0.5144 ( 905 PWs) bands (ev): -10.1991 -10.1935 1.1081 1.2067 1.7542 1.8837 2.0014 2.1408 2.3435 2.5326 2.7538 2.8946 3.0207 3.0593 4.0920 4.1598 4.8873 4.9731 13.7187 13.7294 15.2549 15.2631 17.2981 17.3531 18.9968 19.0832 k = 0.5550-0.0318 0.5226 ( 907 PWs) bands (ev): -10.1981 -10.1923 1.1149 1.2188 1.7515 1.8859 1.9935 2.1272 2.3406 2.5329 2.7554 2.8992 3.0446 3.0819 4.0781 4.1428 4.8600 4.9502 13.7517 13.7633 15.2779 15.2866 17.3148 17.3715 18.8674 18.9551 k = 0.5500-0.0289 0.5307 ( 904 PWs) bands (ev): -10.1970 -10.1912 1.1217 1.2308 1.7496 1.8888 1.9848 2.1134 2.3385 2.5338 2.7574 2.9040 3.0679 3.1040 4.0632 4.1243 4.8342 4.9284 13.7840 13.7965 15.3010 15.3103 17.3345 17.3929 18.7415 18.8302 k = 0.5450-0.0260 0.5389 ( 904 PWs) bands (ev): -10.1959 -10.1901 1.1283 1.2426 1.7488 1.8923 1.9755 2.0995 2.3369 2.5348 2.7597 2.9091 3.0901 3.1255 4.0476 4.1044 4.8102 4.9079 13.8151 13.8286 15.3237 15.3337 17.3573 17.4175 18.6194 18.7089 k = 0.5400-0.0231 0.5471 ( 908 PWs) bands (ev): -10.1949 -10.1891 1.1345 1.2538 1.7490 1.8963 1.9659 2.0854 2.3357 2.5359 2.7621 2.9143 3.1109 3.1459 4.0315 4.0836 4.7883 4.8891 13.8445 13.8591 15.3456 15.3563 17.3836 17.4457 18.5016 18.5918 k = 0.5350-0.0202 0.5552 ( 904 PWs) bands (ev): -10.1940 -10.1881 1.1403 1.2643 1.7505 1.9007 1.9567 2.0716 2.3351 2.5372 2.7648 2.9196 3.1301 3.1649 4.0154 4.0624 4.7689 4.8722 13.8720 13.8875 15.3661 15.3775 17.4139 17.4779 18.3886 18.4793 k = 0.5300-0.0173 0.5634 ( 906 PWs) bands (ev): -10.1931 -10.1871 1.1456 1.2739 1.7530 1.9047 1.9484 2.0579 2.3347 2.5383 2.7675 2.9248 3.1473 3.1822 3.9997 4.0413 4.7521 4.8575 13.8969 13.9135 15.3847 15.3968 17.4484 17.5143 18.2808 18.3718 k = 0.5250-0.0144 0.5715 ( 898 PWs) bands (ev): -10.1922 -10.1863 1.1503 1.2824 1.7568 1.9072 1.9428 2.0447 2.3347 2.5396 2.7703 2.9301 3.1622 3.1973 3.9851 4.0212 4.7380 4.8451 13.9191 13.9365 15.4009 15.4138 17.4876 17.5551 18.1787 18.2699 k = 0.5200-0.0115 0.5797 ( 898 PWs) bands (ev): -10.1915 -10.1855 1.1542 1.2895 1.7613 1.9063 1.9414 2.0320 2.3347 2.5405 2.7730 2.9349 3.1744 3.2098 3.9719 4.0030 4.7266 4.8349 13.9381 13.9563 15.4144 15.4279 17.5315 17.6004 18.0825 18.1740 k = 0.5150-0.0087 0.5879 ( 892 PWs) bands (ev): -10.1909 -10.1849 1.1573 1.2952 1.7663 1.9028 1.9442 2.0204 2.3349 2.5413 2.7755 2.9393 3.1839 3.2195 3.9610 3.9876 4.7179 4.8271 13.9535 13.9724 15.4250 15.4389 17.5804 17.6499 17.9928 18.0847 k = 0.5100-0.0058 0.5960 ( 892 PWs) bands (ev): -10.1905 -10.1844 1.1596 1.2992 1.7708 1.8985 1.9487 2.0103 2.3350 2.5418 2.7776 2.9428 3.1905 3.2260 3.9526 3.9759 4.7118 4.8216 13.9650 13.9844 15.4323 15.4466 17.6342 17.7024 17.9101 18.0031 k = 0.5050-0.0029 0.6042 ( 892 PWs) bands (ev): -10.1902 -10.1841 1.1610 1.3017 1.7740 1.8955 1.9526 2.0032 2.3351 2.5421 2.7790 2.9452 3.1943 3.2295 3.9472 3.9687 4.7082 4.8183 13.9721 13.9919 15.4366 15.4511 17.6924 17.7526 17.8369 17.9333 k = 0.5000-0.0000 0.6124 ( 892 PWs) bands (ev): -10.1901 -10.1840 1.1614 1.3025 1.7753 1.8945 1.9540 2.0006 2.3351 2.5422 2.7796 2.9461 3.1955 3.2305 3.9453 3.9663 4.7070 4.8173 13.9746 13.9944 15.4379 15.4525 17.7488 17.7528 17.8052 17.8968 k = 0.5000-0.0000 0.6124 ( 892 PWs) bands (ev): -10.1901 -10.1840 1.1614 1.3025 1.7753 1.8945 1.9540 2.0006 2.3351 2.5422 2.7796 2.9461 3.1955 3.2305 3.9453 3.9663 4.7070 4.8173 13.9746 13.9944 15.4379 15.4525 17.7488 17.7528 17.8052 17.8968 k = 0.5000 0.0059 0.6040 ( 892 PWs) bands (ev): -10.1903 -10.1842 1.1616 1.3027 1.7721 1.8954 1.9513 2.0054 2.3349 2.5416 2.7790 2.9454 3.1923 3.2284 3.9476 3.9694 4.7095 4.8196 13.9752 13.9951 15.4353 15.4497 17.6633 17.7302 17.8621 17.9556 k = 0.5000 0.0118 0.5957 ( 892 PWs) bands (ev): -10.1909 -10.1849 1.1623 1.3032 1.7636 1.8954 1.9482 2.0164 2.3340 2.5400 2.7774 2.9433 3.1827 3.2222 3.9545 3.9785 4.7170 4.8266 13.9772 13.9971 15.4273 15.4414 17.5748 17.6475 17.9609 18.0508 k = 0.5000 0.0177 0.5874 ( 900 PWs) bands (ev): -10.1920 -10.1859 1.1632 1.3040 1.7513 1.8896 1.9517 2.0296 2.3323 2.5371 2.7747 2.9396 3.1676 3.2120 3.9660 3.9931 4.7292 4.8381 13.9804 14.0003 15.4138 15.4274 17.4909 17.5645 18.0638 18.1528 k = 0.5000 0.0236 0.5790 ( 900 PWs) bands (ev): -10.1934 -10.1874 1.1647 1.3052 1.7367 1.8780 1.9626 2.0433 2.3302 2.5333 2.7710 2.9347 3.1478 3.1983 3.9818 4.0126 4.7462 4.8539 13.9849 14.0048 15.3946 15.4076 17.4131 17.4861 18.1689 18.2577 k = 0.5000 0.0295 0.5707 ( 904 PWs) bands (ev): -10.1953 -10.1893 1.1666 1.3067 1.7209 1.8631 1.9776 2.0564 2.3273 2.5284 2.7665 2.9283 3.1242 3.1816 4.0018 4.0362 4.7674 4.8737 13.9905 14.0104 15.3697 15.3816 17.3420 17.4139 18.2754 18.3644 k = 0.5000 0.0353 0.5624 ( 902 PWs) bands (ev): -10.1975 -10.1915 1.1690 1.3086 1.7046 1.8469 1.9947 2.0685 2.3237 2.5228 2.7611 2.9206 3.0980 3.1624 4.0256 4.0635 4.7927 4.8973 13.9972 14.0172 15.3387 15.3495 17.2786 17.3487 18.3826 18.4719 k = 0.5000 0.0412 0.5541 ( 902 PWs) bands (ev): -10.2002 -10.1942 1.1717 1.3108 1.6880 1.8301 2.0129 2.0791 2.3192 2.5162 2.7551 2.9116 3.0700 3.1414 4.0528 4.0940 4.8215 4.9243 14.0049 14.0249 15.3016 15.3109 17.2233 17.2913 18.4899 18.5797 k = 0.5000 0.0471 0.5457 ( 902 PWs) bands (ev): -10.2032 -10.1972 1.1748 1.3133 1.6715 1.8131 2.0316 2.0880 2.3135 2.5091 2.7484 2.9013 3.0412 3.1193 4.0832 4.1273 4.8536 4.9542 14.0134 14.0334 15.2582 15.2659 17.1768 17.2423 18.5968 18.6870 k = 0.5000 0.0530 0.5374 ( 902 PWs) bands (ev): -10.2065 -10.2006 1.1782 1.3161 1.6551 1.7962 2.0503 2.0947 2.3064 2.5016 2.7410 2.8897 3.0125 3.0966 4.1166 4.1632 4.8885 4.9867 14.0226 14.0425 15.2086 15.2148 17.1393 17.2021 18.7026 18.7934 k = 0.5000 0.0589 0.5291 ( 902 PWs) bands (ev): -10.2102 -10.2043 1.1820 1.3191 1.6391 1.7795 2.0687 2.0991 2.2976 2.4942 2.7329 2.8769 2.9846 3.0738 4.1527 4.2014 4.9257 5.0214 14.0321 14.0520 15.1532 15.1577 17.1110 17.1709 18.8070 18.8982 k = 0.5000 0.0648 0.5207 ( 902 PWs) bands (ev): -10.2142 -10.2084 1.1862 1.3223 1.6235 1.7630 2.0857 2.1017 2.2867 2.4873 2.7241 2.8633 2.9581 3.0513 4.1913 4.2418 4.9649 5.0579 14.0418 14.0616 15.0921 15.0956 17.0918 17.1487 18.9093 19.0010 k = 0.5000 0.0707 0.5124 ( 906 PWs) bands (ev): -10.2186 -10.2128 1.1906 1.3257 1.6084 1.7470 2.0944 2.1089 2.2736 2.4812 2.7143 2.8492 2.9334 3.0295 4.2324 4.2843 5.0057 5.0959 14.0512 14.0709 15.0258 15.0292 17.0817 17.1354 19.0089 19.1011 k = 0.5000 0.0766 0.5041 ( 902 PWs) bands (ev): -10.2232 -10.2175 1.1953 1.3293 1.5939 1.7314 2.0914 2.1238 2.2585 2.4765 2.7036 2.8353 2.9107 3.0087 4.2758 4.3287 5.0478 5.1351 14.0599 14.0794 14.9553 14.9596 17.0803 17.1309 19.1054 19.1979 k = 0.5000 0.0825 0.4957 ( 902 PWs) bands (ev): -10.2281 -10.2224 1.2003 1.3331 1.5799 1.7162 2.0838 2.1381 2.2417 2.4729 2.6920 2.8224 2.8895 2.9890 4.3214 4.3750 5.0907 5.1752 14.0672 14.0863 14.8820 14.8876 17.0873 17.1348 19.1982 19.2910 k = 0.5000 0.0884 0.4874 ( 902 PWs) bands (ev): -10.2332 -10.2276 1.2056 1.3369 1.5665 1.7015 2.0728 2.1485 2.2258 2.4705 2.6797 2.8109 2.8698 2.9705 4.3691 4.4232 5.1343 5.2158 14.0720 14.0906 14.8077 14.8144 17.1022 17.1468 19.2868 19.3797 k = 0.5000 0.0943 0.4791 ( 902 PWs) bands (ev): -10.2386 -10.2330 1.2110 1.3408 1.5538 1.6874 2.0587 2.1492 2.2162 2.4688 2.6671 2.8012 2.8511 2.9533 4.4188 4.4730 5.1783 5.2568 14.0731 14.0908 14.7343 14.7419 17.1249 17.1666 19.3707 19.4635 k = 0.5000 0.1002 0.4707 ( 902 PWs) bands (ev): -10.2442 -10.2387 1.2167 1.3448 1.5418 1.6738 2.0418 2.1356 2.2180 2.4676 2.6548 2.7935 2.8332 2.9375 4.4704 4.5246 5.2223 5.2978 14.0685 14.0849 14.6644 14.6723 17.1548 17.1938 19.4494 19.5420 k = 0.5000 0.1060 0.4624 ( 900 PWs) bands (ev): -10.2499 -10.2445 1.2225 1.3488 1.5305 1.6608 2.0224 2.1121 2.2272 2.4665 2.6433 2.7874 2.8159 2.9229 4.5237 4.5777 5.2662 5.3387 14.0558 14.0700 14.6012 14.6087 17.1915 17.2280 19.5225 19.6145 k = 0.5000 0.1119 0.4541 ( 900 PWs) bands (ev): -10.2558 -10.2505 1.2284 1.3526 1.5199 1.6483 2.0008 2.0836 2.2389 2.4650 2.6332 2.7828 2.7992 2.9096 4.5788 4.6323 5.3098 5.3793 14.0319 14.0433 14.5480 14.5544 17.2349 17.2690 19.5896 19.6808 k = 0.5000 0.1178 0.4457 ( 900 PWs) bands (ev): -10.2618 -10.2566 1.2345 1.3562 1.5101 1.6363 1.9773 2.0525 2.2511 2.4629 2.6246 2.7793 2.7832 2.8973 4.6355 4.6883 5.3528 5.4195 13.9944 14.0025 14.5073 14.5123 17.2846 17.3165 19.6503 19.7405 k = 0.5000 0.1237 0.4374 ( 896 PWs) bands (ev): -10.2679 -10.2628 1.2406 1.3597 1.5012 1.6249 1.9523 2.0200 2.2634 2.4602 2.6178 2.7673 2.7774 2.8863 4.6936 4.7457 5.3952 5.4590 13.9426 13.9476 14.4793 14.4838 17.3403 17.3702 19.7046 19.7933 k = 0.5000 0.1296 0.4291 ( 898 PWs) bands (ev): -10.2741 -10.2691 1.2466 1.3627 1.4930 1.6141 1.9261 1.9864 2.2751 2.4565 2.6125 2.7522 2.7760 2.8761 4.7529 4.8041 5.4368 5.4977 13.8772 13.8810 14.4623 14.4676 17.4018 17.4298 19.7522 19.8392 k = 0.5000 0.1355 0.4207 ( 896 PWs) bands (ev): -10.2804 -10.2755 1.2528 1.3655 1.4857 1.6038 1.8990 1.9524 2.2861 2.4523 2.6088 2.7377 2.7753 2.8671 4.8135 4.8636 5.4775 5.5355 13.8009 13.8059 14.4542 14.4607 17.4688 17.4952 19.7932 19.8781 k = 0.5000 0.1414 0.4124 ( 890 PWs) bands (ev): -10.2867 -10.2818 1.2590 1.3679 1.4794 1.5941 1.8715 1.9184 2.2965 2.4475 2.6062 2.7238 2.7753 2.8589 4.8751 4.9240 5.5172 5.5724 13.7176 13.7243 14.4526 14.4602 17.5411 17.5660 19.8277 19.9101 k = 0.5000 0.1473 0.4041 ( 890 PWs) bands (ev): -10.2929 -10.2882 1.2650 1.3696 1.4739 1.5848 1.8436 1.8845 2.3060 2.4423 2.6043 2.7104 2.7758 2.8516 4.9374 4.9851 5.5556 5.6081 13.6299 13.6380 14.4556 14.4639 17.6186 17.6422 19.8558 19.9356 k = 0.5000 0.1532 0.3958 ( 894 PWs) bands (ev): -10.2992 -10.2946 1.2708 1.3707 1.4692 1.5760 1.8158 1.8509 2.3147 2.4368 2.6030 2.6977 2.7766 2.8451 5.0003 5.0467 5.5929 5.6426 13.5395 13.5488 14.4617 14.4703 17.7009 17.7234 19.8778 19.9546 k = 0.5000 0.1591 0.3874 ( 898 PWs) bands (ev): -10.3053 -10.3009 1.2766 1.3711 1.4653 1.5676 1.7884 1.8180 2.3224 2.4313 2.6019 2.6855 2.7779 2.8393 5.0637 5.1086 5.6288 5.6759 13.4479 13.4580 14.4696 14.4785 17.7878 17.8094 19.8943 19.9679 k = 0.5000 0.1650 0.3791 ( 902 PWs) bands (ev): -10.3114 -10.3072 1.2822 1.3710 1.4621 1.5596 1.7616 1.7860 2.3294 2.4257 2.6010 2.6741 2.7794 2.8343 5.1273 5.1707 5.6634 5.7079 13.3557 13.3665 14.4788 14.4877 17.8791 17.9000 19.9056 19.9757 k = 0.5000 0.1708 0.3708 ( 900 PWs) bands (ev): -10.3174 -10.3133 1.2876 1.3703 1.4596 1.5520 1.7356 1.7552 2.3356 2.4204 2.6003 2.6634 2.7811 2.8301 5.1910 5.2328 5.6966 5.7385 13.2639 13.2751 14.4887 14.4975 17.9746 17.9949 19.9121 19.9788 k = 0.5000 0.1767 0.3624 ( 900 PWs) bands (ev): -10.3233 -10.3194 1.2928 1.3692 1.4573 1.5445 1.7107 1.7257 2.3409 2.4152 2.5995 2.6535 2.7830 2.8265 5.2544 5.2945 5.7284 5.7677 13.1730 13.1845 14.4989 14.5076 18.0739 18.0938 19.9146 19.9776 k = 0.5000 0.1826 0.3541 ( 902 PWs) bands (ev): -10.3290 -10.3253 1.2977 1.3676 1.4552 1.5371 1.6870 1.6979 2.3454 2.4103 2.5986 2.6442 2.7850 2.8235 5.3172 5.3557 5.7586 5.7955 13.0835 13.0951 14.5092 14.5176 18.1766 18.1962 19.9134 19.9727 k = 0.5000 0.1885 0.3458 ( 902 PWs) bands (ev): -10.3346 -10.3310 1.3025 1.3659 1.4528 1.5296 1.6646 1.6723 2.3491 2.4057 2.5976 2.6357 2.7872 2.8210 5.3794 5.4160 5.7874 5.8219 12.9959 13.0074 14.5193 14.5274 18.2825 18.3019 19.9091 19.9647 k = 0.5000 0.1944 0.3374 ( 902 PWs) bands (ev): -10.3399 -10.3365 1.3069 1.3639 1.4501 1.5217 1.6431 1.6496 2.3521 2.4013 2.5964 2.6279 2.7893 2.8189 5.4405 5.4753 5.8146 5.8467 12.9105 12.9219 14.5292 14.5368 18.3911 18.4104 19.9023 19.9541 k = 0.5000 0.2003 0.3291 ( 904 PWs) bands (ev): -10.3450 -10.3418 1.3111 1.3618 1.4468 1.5132 1.6228 1.6302 2.3544 2.3973 2.5951 2.6207 2.7914 2.8173 5.5002 5.5331 5.8403 5.8700 12.8278 12.8390 14.5386 14.5459 18.5018 18.5211 19.8935 19.9416 k = 0.5000 0.2062 0.3208 ( 906 PWs) bands (ev): -10.3499 -10.3469 1.3149 1.3596 1.4426 1.5035 1.6047 1.6139 2.3560 2.3935 2.5937 2.6143 2.7935 2.8159 5.5583 5.5892 5.8644 5.8918 12.7481 12.7591 14.5476 14.5544 18.6142 18.6334 19.8833 19.9277 k = 0.5000 0.2121 0.3124 ( 900 PWs) bands (ev): -10.3545 -10.3517 1.3186 1.3575 1.4375 1.4927 1.5896 1.6001 2.3573 2.3901 2.5925 2.6087 2.7956 2.8150 5.6144 5.6433 5.8870 5.9121 12.6719 12.6824 14.5561 14.5625 18.7275 18.7466 19.8720 19.9128 k = 0.5000 0.2180 0.3041 ( 900 PWs) bands (ev): -10.3589 -10.3562 1.3219 1.3554 1.4315 1.4806 1.5776 1.5886 2.3579 2.3869 2.5911 2.6036 2.7975 2.8143 5.6683 5.6950 5.9081 5.9309 12.5994 12.6095 14.5640 14.5699 18.8411 18.8600 19.8601 19.8974 k = 0.5000 0.2239 0.2958 ( 902 PWs) bands (ev): -10.3629 -10.3605 1.3249 1.3533 1.4247 1.4674 1.5685 1.5792 2.3582 2.3840 2.5896 2.5991 2.7994 2.8138 5.7194 5.7439 5.9276 5.9481 12.5311 12.5407 14.5713 14.5767 18.9540 18.9725 19.8481 19.8818 k = 0.5000 0.2298 0.2874 ( 896 PWs) bands (ev): -10.3667 -10.3644 1.3278 1.3514 1.4174 1.4540 1.5619 1.5718 2.3584 2.3813 2.5883 2.5953 2.8012 2.8134 5.7677 5.7898 5.9457 5.9639 12.4672 12.4762 14.5780 14.5830 19.0651 19.0832 19.8363 19.8666 k = 0.5000 0.2357 0.2791 ( 896 PWs) bands (ev): -10.3701 -10.3681 1.3303 1.3495 1.4100 1.4406 1.5571 1.5659 2.3583 2.3787 2.5870 2.5920 2.8028 2.8132 5.8125 5.8321 5.9624 5.9783 12.4083 12.4166 14.5841 14.5886 19.1733 19.1908 19.8251 19.8521 k = 0.5000 0.2415 0.2708 ( 894 PWs) bands (ev): -10.3732 -10.3714 1.3326 1.3478 1.4026 1.4277 1.5538 1.5613 2.3582 2.3763 2.5857 2.5892 2.8043 2.8130 5.8536 5.8706 5.9777 5.9912 12.3545 12.3621 14.5896 14.5936 19.2772 19.2936 19.8149 19.8386 k = 0.5000 0.2474 0.2624 ( 896 PWs) bands (ev): -10.3759 -10.3743 1.3346 1.3461 1.3956 1.4158 1.5513 1.5576 2.3581 2.3739 2.5844 2.5867 2.8057 2.8129 5.8905 5.9047 5.9919 6.0029 12.3062 12.3130 14.5944 14.5979 19.3749 19.3901 19.8062 19.8265 k = 0.5000 0.2533 0.2541 ( 896 PWs) bands (ev): -10.3783 -10.3769 1.3363 1.3445 1.3893 1.4050 1.5497 1.5548 2.3580 2.3717 2.5833 2.5848 2.8069 2.8128 5.9229 5.9341 6.0049 6.0133 12.2638 12.2697 14.5986 14.6016 19.4646 19.4782 19.7995 19.8164 k = 0.5000 0.2592 0.2458 ( 896 PWs) bands (ev): -10.3803 -10.3792 1.3378 1.3432 1.3837 1.3956 1.5486 1.5527 2.3581 2.3696 2.5824 2.5832 2.8080 2.8127 5.9503 5.9583 6.0170 6.0228 12.2274 12.2325 14.6022 14.6047 19.5439 19.5553 19.7956 19.8089 k = 0.5000 0.2651 0.2375 ( 896 PWs) bands (ev): -10.3820 -10.3810 1.3390 1.3422 1.3791 1.3876 1.5479 1.5510 2.3584 2.3677 2.5815 2.5819 2.8089 2.8126 5.9723 5.9772 6.0282 6.0314 12.1974 12.2015 14.6052 14.6072 19.6099 19.6185 19.7957 19.8052 k = 0.5000 0.2710 0.2291 ( 896 PWs) bands (ev): -10.3832 -10.3825 1.3399 1.3414 1.3755 1.3812 1.5475 1.5498 2.3589 2.3659 2.5808 2.5810 2.8097 2.8124 5.9885 5.9908 6.0378 6.0395 12.1740 12.1771 14.6076 14.6091 19.6594 19.6646 19.8011 19.8065 k = 0.5000 0.2769 0.2208 ( 894 PWs) bands (ev): -10.3841 -10.3836 1.3405 1.3409 1.3730 1.3765 1.5474 1.5488 2.3596 2.3643 2.5804 2.5804 2.8105 2.8123 5.9993 6.0000 6.0452 6.0464 12.1573 12.1593 14.6094 14.6104 19.6906 19.6927 19.8112 19.8132 k = 0.5000 0.2828 0.2125 ( 890 PWs) bands (ev): -10.3845 -10.3843 1.3408 1.3408 1.3717 1.3734 1.5475 1.5482 2.3605 2.3629 2.5801 2.5801 2.8111 2.8120 6.0052 6.0053 6.0502 6.0510 12.1474 12.1484 14.6106 14.6111 19.7056 19.7063 19.8212 19.8214 k = 0.5000 0.2887 0.2041 ( 886 PWs) bands (ev): -10.3846 -10.3846 1.3409 1.3409 1.3718 1.3718 1.5478 1.5478 2.3617 2.3617 2.5801 2.5801 2.8116 2.8116 6.0070 6.0070 6.0523 6.0523 12.1444 12.1444 14.6111 14.6111 19.7100 19.7100 19.8252 19.8252 k = 0.5000 0.2887 0.2041 ( 886 PWs) bands (ev): -10.3846 -10.3846 1.3409 1.3409 1.3718 1.3718 1.5478 1.5478 2.3617 2.3617 2.5801 2.5801 2.8116 2.8116 6.0070 6.0070 6.0523 6.0523 12.1444 12.1444 14.6111 14.6111 19.7100 19.7100 19.8252 19.8252 k = 0.4970 0.2870 0.2138 ( 891 PWs) bands (ev): -10.3845 -10.3843 1.3408 1.3408 1.3717 1.3734 1.5475 1.5482 2.3605 2.3629 2.5801 2.5801 2.8111 2.8120 6.0051 6.0052 6.0502 6.0509 12.1475 12.1485 14.6105 14.6110 19.7056 19.7062 19.8212 19.8212 k = 0.4940 0.2852 0.2236 ( 894 PWs) bands (ev): -10.3841 -10.3836 1.3406 1.3408 1.3730 1.3766 1.5474 1.5489 2.3595 2.3643 2.5804 2.5804 2.8105 2.8122 5.9992 5.9998 6.0452 6.0462 12.1575 12.1596 14.6093 14.6103 19.6906 19.6918 19.8120 19.8120 k = 0.4911 0.2835 0.2333 ( 894 PWs) bands (ev): -10.3832 -10.3825 1.3403 1.3410 1.3757 1.3813 1.5476 1.5498 2.3589 2.3660 2.5810 2.5810 2.8098 2.8125 5.9884 5.9902 6.0381 6.0387 12.1746 12.1777 14.6075 14.6090 19.6599 19.6616 19.8037 19.8037 k = 0.4881 0.2818 0.2430 ( 896 PWs) bands (ev): -10.3819 -10.3810 1.3398 1.3412 1.3797 1.3877 1.5479 1.5511 2.3584 2.3677 2.5818 2.5818 2.8088 2.8125 5.9720 5.9759 6.0292 6.0298 12.1985 12.2027 14.6051 14.6071 19.6107 19.6125 19.8006 19.8007 k = 0.4851 0.2801 0.2527 ( 896 PWs) bands (ev): -10.3802 -10.3791 1.3390 1.3416 1.3850 1.3956 1.5486 1.5528 2.3582 2.3697 2.5828 2.5828 2.8079 2.8127 5.9497 5.9561 6.0184 6.0208 12.2292 12.2342 14.6020 14.6046 19.5445 19.5462 19.8029 19.8032 k = 0.4821 0.2784 0.2624 ( 896 PWs) bands (ev): -10.3782 -10.3768 1.3380 1.3419 1.3915 1.4050 1.5497 1.5549 2.3581 2.3718 2.5841 2.5841 2.8068 2.8128 5.9218 5.9309 6.0068 6.0109 12.2662 12.2722 14.5984 14.6014 19.4646 19.4660 19.8091 19.8097 k = 0.4792 0.2766 0.2722 ( 896 PWs) bands (ev): -10.3757 -10.3741 1.3366 1.3421 1.3994 1.4158 1.5513 1.5577 2.3583 2.3739 2.5857 2.5857 2.8055 2.8129 5.8888 5.9003 5.9942 6.0001 12.3095 12.3163 14.5941 14.5976 19.3739 19.3748 19.8184 19.8192 k = 0.4762 0.2749 0.2819 ( 894 PWs) bands (ev): -10.3730 -10.3711 1.3348 1.3422 1.4084 1.4281 1.5534 1.5611 2.3586 2.3762 2.5875 2.5876 2.8042 2.8130 5.8510 5.8648 5.9808 5.9883 12.3586 12.3663 14.5891 14.5931 19.2749 19.2751 19.8302 19.8312 k = 0.4732 0.2732 0.2916 ( 896 PWs) bands (ev): -10.3698 -10.3678 1.3325 1.3419 1.4185 1.4416 1.5562 1.5654 2.3590 2.3784 2.5895 2.5897 2.8026 2.8132 5.8088 5.8248 5.9662 5.9752 12.4133 12.4217 14.5835 14.5880 19.1688 19.1694 19.8439 19.8451 k = 0.4702 0.2715 0.3013 ( 894 PWs) bands (ev): -10.3663 -10.3640 1.3298 1.3414 1.4297 1.4563 1.5600 1.5707 2.3596 2.3806 2.5918 2.5922 2.8010 2.8135 5.7626 5.7808 5.9505 5.9610 12.4732 12.4823 14.5773 14.5823 19.0579 19.0594 19.8594 19.8608 k = 0.4673 0.2698 0.3110 ( 898 PWs) bands (ev): -10.3625 -10.3600 1.3265 1.3404 1.4418 1.4719 1.5649 1.5772 2.3602 2.3828 2.5942 2.5947 2.7992 2.8139 5.7128 5.7330 5.9337 5.9454 12.5379 12.5475 14.5704 14.5759 18.9436 18.9461 19.8765 19.8781 k = 0.4643 0.2681 0.3208 ( 898 PWs) bands (ev): -10.3584 -10.3557 1.3226 1.3390 1.4545 1.4884 1.5710 1.5851 2.3609 2.3849 2.5969 2.5978 2.7972 2.8146 5.6597 5.6820 5.9156 5.9287 12.6070 12.6171 14.5629 14.5688 18.8273 18.8310 19.8950 19.8968 k = 0.4613 0.2663 0.3305 ( 898 PWs) bands (ev): -10.3539 -10.3511 1.3182 1.3371 1.4678 1.5053 1.5787 1.5948 2.3617 2.3870 2.5997 2.6011 2.7952 2.8155 5.6038 5.6279 5.8965 5.9107 12.6801 12.6906 14.5547 14.5611 18.7101 18.7151 19.9147 19.9167 k = 0.4583 0.2646 0.3402 ( 900 PWs) bands (ev): -10.3492 -10.3462 1.3131 1.3345 1.4812 1.5223 1.5882 1.6065 2.3624 2.3890 2.6026 2.6047 2.7932 2.8166 5.5452 5.5713 5.8762 5.8916 12.7566 12.7674 14.5459 14.5528 18.5929 18.5993 19.9356 19.9377 k = 0.4554 0.2629 0.3499 ( 898 PWs) bands (ev): -10.3443 -10.3410 1.3076 1.3315 1.4946 1.5391 1.5997 1.6208 2.3632 2.3909 2.6056 2.6086 2.7911 2.8182 5.4844 5.5124 5.8548 5.8714 12.8362 12.8472 14.5366 14.5439 18.4766 18.4844 19.9575 19.9597 k = 0.4524 0.2612 0.3596 ( 904 PWs) bands (ev): -10.3391 -10.3356 1.3013 1.3278 1.5078 1.5551 1.6134 1.6379 2.3637 2.3926 2.6084 2.6125 2.7889 2.8202 5.4217 5.4515 5.8324 5.8501 12.9183 12.9294 14.5267 14.5344 18.3619 18.3712 19.9803 19.9825 k = 0.4494 0.2595 0.3694 ( 904 PWs) bands (ev): -10.3336 -10.3300 1.2946 1.3235 1.5207 1.5703 1.6293 1.6578 2.3644 2.3943 2.6113 2.6168 2.7868 2.8227 5.3574 5.3890 5.8090 5.8279 13.0024 13.0135 14.5165 14.5245 18.2494 18.2604 20.0037 20.0061 k = 0.4464 0.2577 0.3791 ( 904 PWs) bands (ev): -10.3280 -10.3242 1.2874 1.3187 1.5332 1.5848 1.6474 1.6805 2.3650 2.3960 2.6140 2.6212 2.7849 2.8258 5.2919 5.3252 5.7847 5.8046 13.0879 13.0989 14.5059 14.5143 18.1398 18.1524 20.0278 20.0303 k = 0.4435 0.2560 0.3888 ( 902 PWs) bands (ev): -10.3222 -10.3183 1.2797 1.3133 1.5454 1.5988 1.6675 1.7057 2.3656 2.3976 2.6166 2.6255 2.7832 2.8295 5.2253 5.2605 5.7596 5.7806 13.1741 13.1848 14.4953 14.5039 18.0335 18.0479 20.0524 20.0549 k = 0.4405 0.2543 0.3985 ( 901 PWs) bands (ev): -10.3163 -10.3122 1.2715 1.3074 1.5573 1.6125 1.6894 1.7329 2.3660 2.3993 2.6187 2.6298 2.7818 2.8339 5.1581 5.1951 5.7337 5.7557 13.2603 13.2706 14.4848 14.4935 17.9311 17.9472 20.0773 20.0798 k = 0.4375 0.2526 0.4082 ( 901 PWs) bands (ev): -10.3103 -10.3060 1.2630 1.3010 1.5692 1.6260 1.7128 1.7620 2.3664 2.4010 2.6205 2.6337 2.7808 2.8390 5.0906 5.1293 5.7072 5.7301 13.3457 13.3554 14.4748 14.4836 17.8330 17.8509 20.1024 20.1050 k = 0.4345 0.2509 0.4180 ( 901 PWs) bands (ev): -10.3041 -10.2997 1.2541 1.2942 1.5810 1.6396 1.7374 1.7926 2.3667 2.4028 2.6219 2.6372 2.7803 2.8447 5.0230 5.0635 5.6800 5.7039 13.4293 13.4382 14.4660 14.4746 17.7396 17.7594 20.1276 20.1302 k = 0.4315 0.2492 0.4277 ( 900 PWs) bands (ev): -10.2979 -10.2934 1.2449 1.2870 1.5929 1.6533 1.7630 1.8245 2.3669 2.4048 2.6229 2.6401 2.7805 2.8511 4.9557 4.9980 5.6523 5.6770 13.5098 13.5176 14.4589 14.4673 17.6512 17.6730 20.1527 20.1553 k = 0.4286 0.2474 0.4374 ( 904 PWs) bands (ev): -10.2917 -10.2870 1.2354 1.2794 1.6048 1.6670 1.7892 1.8575 2.3672 2.4072 2.6234 2.6422 2.7814 2.8580 4.8890 4.9330 5.6241 5.6497 13.5857 13.5922 14.4547 14.4625 17.5684 17.5921 20.1777 20.1803 k = 0.4256 0.2457 0.4471 ( 902 PWs) bands (ev): -10.2854 -10.2806 1.2258 1.2716 1.6168 1.6810 1.8160 1.8914 2.3674 2.4101 2.6236 2.6436 2.7832 2.8655 4.8232 4.8690 5.5956 5.6220 13.6553 13.6601 14.4547 14.4617 17.4915 17.5171 20.2025 20.2050 k = 0.4226 0.2440 0.4568 ( 904 PWs) bands (ev): -10.2792 -10.2743 1.2159 1.2634 1.6288 1.6950 1.8428 1.9260 2.3678 2.4135 2.6233 2.6440 2.7857 2.8732 4.7586 4.8062 5.5667 5.5940 13.7166 13.7194 14.4603 14.4662 17.4207 17.4482 20.2269 20.2294 k = 0.4196 0.2423 0.4666 ( 905 PWs) bands (ev): -10.2730 -10.2680 1.2060 1.2551 1.6410 1.7091 1.8694 1.9611 2.3683 2.4178 2.6228 2.6436 2.7889 2.8812 4.6956 4.7450 5.5377 5.5657 13.7673 13.7678 14.4733 14.4778 17.3564 17.3859 20.2508 20.2532 k = 0.4167 0.2406 0.4763 ( 905 PWs) bands (ev): -10.2669 -10.2619 1.1959 1.2465 1.6531 1.7233 1.8955 1.9963 2.3691 2.4232 2.6220 2.6424 2.7928 2.8891 4.6345 4.6856 5.5086 5.5372 13.8038 13.8056 14.4947 14.4978 17.2989 17.3303 20.2741 20.2765 k = 0.4137 0.2388 0.4860 ( 905 PWs) bands (ev): -10.2609 -10.2558 1.1857 1.2378 1.6652 1.7374 1.9206 2.0315 2.3702 2.4299 2.6212 2.6407 2.7970 2.8969 4.5756 4.6286 5.4795 5.5088 13.8265 13.8305 14.5249 14.5267 17.2484 17.2817 20.2968 20.2991 k = 0.4107 0.2371 0.4957 ( 901 PWs) bands (ev): -10.2551 -10.2499 1.1755 1.2289 1.6774 1.7516 1.9444 2.0660 2.3718 2.4382 2.6204 2.6389 2.8014 2.9042 4.5195 4.5743 5.4504 5.4803 13.8363 13.8423 14.5631 14.5639 17.2052 17.2403 20.3188 20.3209 k = 0.4077 0.2354 0.5055 ( 899 PWs) bands (ev): -10.2494 -10.2442 1.1652 1.2199 1.6894 1.7656 1.9664 2.0995 2.3741 2.4484 2.6197 2.6371 2.8057 2.9109 4.4662 4.5229 5.4215 5.4520 13.8345 13.8420 14.6075 14.6077 17.1694 17.2063 20.3400 20.3420 k = 0.4048 0.2337 0.5152 ( 901 PWs) bands (ev): -10.2440 -10.2387 1.1549 1.2107 1.7012 1.7792 1.9861 2.1312 2.3772 2.4606 2.6194 2.6359 2.8095 2.9165 4.4164 4.4749 5.3929 5.4239 13.8230 13.8316 14.6560 14.6560 17.1411 17.1796 20.3603 20.3621 k = 0.4018 0.2320 0.5249 ( 901 PWs) bands (ev): -10.2387 -10.2334 1.1446 1.2014 1.7128 1.7926 2.0032 2.1603 2.3813 2.4748 2.6198 2.6361 2.8127 2.9209 4.3703 4.4307 5.3647 5.3960 13.8035 13.8126 14.7066 14.7067 17.1204 17.1603 20.3797 20.3814 k = 0.3988 0.2303 0.5346 ( 901 PWs) bands (ev): -10.2338 -10.2284 1.1343 1.1920 1.7242 1.8058 2.0174 2.1861 2.3863 2.4909 2.6214 2.6382 2.8150 2.9239 4.3283 4.3907 5.3369 5.3686 13.7774 13.7869 14.7575 14.7580 17.1070 17.1483 20.3982 20.3996 k = 0.3958 0.2285 0.5443 ( 901 PWs) bands (ev): -10.2291 -10.2238 1.1240 1.1825 1.7352 1.8184 2.0286 2.2077 2.3922 2.5083 2.6249 2.6434 2.8161 2.9250 4.2908 4.3552 5.3097 5.3417 13.7460 13.7555 14.8075 14.8086 17.1009 17.1434 20.4157 20.4169 k = 0.3929 0.2268 0.5541 ( 905 PWs) bands (ev): -10.2248 -10.2195 1.1137 1.1728 1.7457 1.8303 2.0366 2.2246 2.3982 2.5257 2.6317 2.6526 2.8161 2.9240 4.2581 4.3246 5.2832 5.3154 13.7103 13.7196 14.8556 14.8574 17.1017 17.1452 20.4321 20.4330 k = 0.3899 0.2251 0.5638 ( 905 PWs) bands (ev): -10.2209 -10.2155 1.1035 1.1631 1.7559 1.8417 2.0417 2.2369 2.4036 2.5413 2.6434 2.6666 2.8148 2.9209 4.2304 4.2990 5.2574 5.2898 13.6710 13.6798 14.9013 14.9038 17.1090 17.1534 20.4475 20.4482 k = 0.3869 0.2234 0.5735 ( 901 PWs) bands (ev): -10.2173 -10.2119 1.0934 1.1534 1.7657 1.8525 2.0440 2.2449 2.4075 2.5534 2.6616 2.6857 2.8125 2.9155 4.2080 4.2788 5.2326 5.2649 13.6286 13.6369 14.9441 14.9474 17.1224 17.1674 20.4618 20.4622 k = 0.3839 0.2217 0.5832 ( 901 PWs) bands (ev): -10.2141 -10.2088 1.0832 1.1434 1.7748 1.8624 2.0438 2.2489 2.4092 2.5616 2.6863 2.7091 2.8097 2.9077 4.1910 4.2641 5.2086 5.2410 13.5836 13.5912 14.9839 14.9880 17.1412 17.1866 20.4750 20.4751 k = 0.3810 0.2199 0.5929 ( 900 PWs) bands (ev): -10.2114 -10.2061 1.0731 1.1333 1.7833 1.8714 2.0412 2.2495 2.4090 2.5668 2.7164 2.7345 2.8084 2.8976 4.1795 4.2548 5.1858 5.2181 13.5363 13.5432 15.0209 15.0257 17.1647 17.2103 20.4869 20.4871 k = 0.3780 0.2182 0.6027 ( 902 PWs) bands (ev): -10.2091 -10.2039 1.0630 1.1231 1.7911 1.8794 2.0366 2.2470 2.4071 2.5701 2.7504 2.7546 2.8151 2.8854 4.1733 4.2508 5.1641 5.1962 13.4870 13.4932 15.0550 15.0605 17.1923 17.2379 20.4976 20.4981 k = 0.3750 0.2165 0.6124 ( 902 PWs) bands (ev): -10.2073 -10.2021 1.0529 1.1127 1.7982 1.8864 2.0303 2.2417 2.4043 2.5722 2.7602 2.7865 2.8383 2.8720 4.1725 4.2521 5.1437 5.1755 13.4361 13.4413 15.0867 15.0928 17.2231 17.2685 20.5072 20.5081 k = 0.6250-0.0722 0.4082 ( 902 PWs) bands (ev): -10.2073 -10.2021 1.0529 1.1127 1.7982 1.8864 2.0303 2.2417 2.4043 2.5722 2.7602 2.7865 2.8383 2.8720 4.1725 4.2521 5.1437 5.1755 13.4361 13.4413 15.0867 15.0928 17.2231 17.2685 20.5072 20.5081 k = 0.6200-0.0808 0.4082 ( 902 PWs) bands (ev): -10.2049 -10.1998 1.0359 1.0949 1.8095 1.8971 2.0187 2.2304 2.3990 2.5749 2.7516 2.8394 2.8578 2.8973 4.1765 4.2596 5.1108 5.1421 13.3495 13.3532 15.1356 15.1426 17.2784 17.3232 20.5226 20.5241 k = 0.6150-0.0895 0.4082 ( 902 PWs) bands (ev): -10.2028 -10.1978 1.0189 1.0767 1.8207 1.9074 2.0079 2.2192 2.3940 2.5774 2.7388 2.8241 2.9118 2.9606 4.1828 4.2691 5.0786 5.1093 13.2639 13.2663 15.1797 15.1875 17.3353 17.3793 20.5383 20.5405 k = 0.6100-0.0981 0.4082 ( 908 PWs) bands (ev): -10.2009 -10.1961 1.0017 1.0582 1.8318 1.9172 1.9980 2.2083 2.3888 2.5795 2.7260 2.8024 2.9716 3.0235 4.1913 4.2806 5.0471 5.0772 13.1794 13.1806 15.2192 15.2275 17.3933 17.4364 20.5541 20.5572 k = 0.6050-0.1068 0.4082 ( 908 PWs) bands (ev): -10.1993 -10.1946 0.9847 1.0395 1.8429 1.9265 1.9892 2.1980 2.3837 2.5813 2.7140 2.7812 3.0303 3.0851 4.2021 4.2940 5.0164 5.0458 13.0963 13.0963 15.2542 15.2630 17.4519 17.4937 20.5700 20.5740 k = 0.6000-0.1155 0.4082 ( 904 PWs) bands (ev): -10.1978 -10.1933 0.9679 1.0208 1.8539 1.9353 1.9815 2.1885 2.3786 2.5828 2.7032 2.7607 3.0872 3.1446 4.2154 4.3094 4.9867 5.0153 13.0136 13.0148 15.2851 15.2941 17.5103 17.5508 20.5857 20.5909 k = 0.5950-0.1241 0.4082 ( 904 PWs) bands (ev): -10.1966 -10.1922 0.9513 1.0020 1.8646 1.9433 1.9750 2.1797 2.3734 2.5835 2.6933 2.7412 3.1420 3.2016 4.2311 4.3267 4.9578 4.9856 12.9328 12.9349 15.3120 15.3211 17.5680 17.6069 20.6011 20.6077 k = 0.5900-0.1328 0.4082 ( 914 PWs) bands (ev): -10.1956 -10.1913 0.9349 0.9833 1.8750 1.9504 1.9694 2.1716 2.3679 2.5831 2.6844 2.7228 3.1943 3.2555 4.2491 4.3457 4.9297 4.9568 12.8539 12.8569 15.3352 15.3443 17.6243 17.6614 20.6160 20.6243 k = 0.5850-0.1415 0.4082 ( 910 PWs) bands (ev): -10.1947 -10.1906 0.9190 0.9650 1.8854 1.9570 1.9651 2.1646 2.3626 2.5818 2.6769 2.7062 3.2440 3.3061 4.2697 4.3665 4.9029 4.9291 12.7772 12.7810 15.3551 15.3640 17.6787 17.7139 20.6303 20.6406 k = 0.5800-0.1501 0.4082 ( 910 PWs) bands (ev): -10.1939 -10.1900 0.9035 0.9470 1.8956 1.9617 1.9628 2.1582 2.3574 2.5787 2.6703 2.6915 3.2908 3.3532 4.2926 4.3888 4.8772 4.9024 12.7030 12.7074 15.3719 15.3806 17.7305 17.7638 20.6436 20.6565 k = 0.5750-0.1588 0.4082 ( 910 PWs) bands (ev): -10.1933 -10.1896 0.8886 0.9295 1.9056 1.9593 1.9678 2.1523 2.3525 2.5736 2.6647 2.6792 3.3345 3.3964 4.3177 4.4124 4.8526 4.8769 12.6314 12.6364 15.3860 15.3944 17.7794 17.8106 20.6556 20.6717 k = 0.5700-0.1674 0.4082 ( 906 PWs) bands (ev): -10.1928 -10.1893 0.8744 0.9126 1.9154 1.9579 1.9721 2.1470 2.3481 2.5663 2.6602 2.6696 3.3750 3.4357 4.3448 4.4371 4.8294 4.8526 12.5626 12.5681 15.3976 15.4057 17.8250 17.8540 20.6662 20.6862 k = 0.5650-0.1761 0.4082 ( 910 PWs) bands (ev): -10.1924 -10.1891 0.8609 0.8964 1.9249 1.9572 1.9755 2.1417 2.3441 2.5567 2.6564 2.6624 3.4123 3.4709 4.3734 4.4625 4.8074 4.8295 12.4970 12.5028 15.4071 15.4148 17.8669 17.8937 20.6752 20.6996 k = 0.5600-0.1848 0.4082 ( 906 PWs) bands (ev): -10.1920 -10.1890 0.8482 0.8809 1.9343 1.9574 1.9784 2.1367 2.3411 2.5453 2.6534 2.6577 3.4464 3.5023 4.4032 4.4882 4.7869 4.8078 12.4348 12.4407 15.4147 15.4219 17.9050 17.9296 20.6826 20.7118 k = 0.5550-0.1934 0.4082 ( 906 PWs) bands (ev): -10.1918 -10.1889 0.8363 0.8662 1.9435 1.9582 1.9807 2.1313 2.3390 2.5325 2.6511 2.6546 3.4773 3.5299 4.4337 4.5139 4.7678 4.7875 12.3762 12.3823 15.4207 15.4274 17.9392 17.9615 20.6889 20.7225 k = 0.5500-0.2021 0.4082 ( 906 PWs) bands (ev): -10.1916 -10.1890 0.8253 0.8525 1.9525 1.9596 1.9825 2.1257 2.3380 2.5189 2.6494 2.6526 3.5050 3.5539 4.4642 4.5390 4.7502 4.7687 12.3216 12.3276 15.4253 15.4315 17.9695 17.9897 20.6946 20.7314 k = 0.5450-0.2107 0.4082 ( 914 PWs) bands (ev): -10.1914 -10.1890 0.8153 0.8397 1.9604 1.9621 1.9837 2.1193 2.3382 2.5048 2.6481 2.6514 3.5298 3.5745 4.4943 4.5631 4.7342 4.7514 12.2713 12.2771 15.4288 15.4344 17.9961 18.0140 20.7004 20.7387 k = 0.5400-0.2194 0.4082 ( 914 PWs) bands (ev): -10.1913 -10.1892 0.8064 0.8280 1.9631 1.9704 1.9846 2.1125 2.3396 2.4907 2.6474 2.6507 3.5518 3.5920 4.5234 4.5858 4.7198 4.7357 12.2254 12.2309 15.4313 15.4364 18.0190 18.0349 20.7067 20.7444 k = 0.5350-0.2281 0.4082 ( 918 PWs) bands (ev): -10.1912 -10.1893 0.7984 0.8174 1.9655 1.9791 1.9851 2.1052 2.3424 2.4767 2.6469 2.6503 3.5710 3.6064 4.5508 4.6066 4.7071 4.7217 12.1842 12.1893 15.4331 15.4376 18.0386 18.0523 20.7136 20.7491 k = 0.5300-0.2367 0.4082 ( 922 PWs) bands (ev): -10.1911 -10.1895 0.7917 0.8079 1.9679 1.9854 1.9880 2.0973 2.3462 2.4629 2.6467 2.6500 3.5877 3.6182 4.5761 4.6249 4.6963 4.7095 12.1481 12.1526 15.4344 15.4382 18.0550 18.0667 20.7210 20.7529 k = 0.5250-0.2454 0.4082 ( 922 PWs) bands (ev): -10.1910 -10.1896 0.7861 0.7996 1.9705 1.9854 1.9970 2.0890 2.3512 2.4496 2.6468 2.6499 3.6019 3.6274 4.5988 4.6404 4.6873 4.6991 12.1171 12.1211 15.4353 15.4385 18.0685 18.0782 20.7286 20.7560 k = 0.5200-0.2540 0.4082 ( 928 PWs) bands (ev): -10.1909 -10.1898 0.7817 0.7925 1.9728 1.9850 2.0059 2.0801 2.3573 2.4366 2.6470 2.6497 3.6138 3.6342 4.6183 4.6524 4.6806 4.6907 12.0916 12.0949 15.4358 15.4384 18.0793 18.0870 20.7359 20.7583 k = 0.5150-0.2627 0.4082 ( 928 PWs) bands (ev): -10.1908 -10.1900 0.7786 0.7867 1.9752 1.9844 2.0151 2.0711 2.3644 2.4243 2.6474 2.6495 3.6236 3.6389 4.6342 4.6596 4.6771 4.6845 12.0717 12.0742 15.4363 15.4382 18.0878 18.0935 20.7428 20.7598 k = 0.5100-0.2714 0.4082 ( 934 PWs) bands (ev): -10.1907 -10.1902 0.7767 0.7821 1.9773 1.9835 2.0242 2.0618 2.3723 2.4124 2.6476 2.6491 3.6312 3.6414 4.6459 4.6612 4.6774 4.6806 12.0575 12.0592 15.4366 15.4379 18.0939 18.0977 20.7487 20.7601 k = 0.5050-0.2800 0.4082 ( 934 PWs) bands (ev): -10.1906 -10.1903 0.7761 0.7788 1.9792 1.9824 2.0336 2.0524 2.3812 2.4013 2.6481 2.6488 3.6367 3.6419 4.6533 4.6598 4.6789 4.6793 12.0491 12.0499 15.4369 15.4375 18.0979 18.0998 20.7535 20.7592 k = 0.5000-0.2887 0.4082 ( 934 PWs) bands (ev): -10.1904 -10.1904 0.7768 0.7768 1.9809 1.9809 2.0430 2.0430 2.3909 2.3909 2.6485 2.6485 3.6403 3.6403 4.6574 4.6574 4.6793 4.6793 12.0466 12.0466 15.4372 15.4372 18.0998 18.0998 20.7570 20.7570 Writing output data file ZnO.save init_run : 2.34s CPU 13.01s WALL ( 1 calls) electrons : 125.29s CPU 130.10s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.18s CPU 1.27s WALL ( 1 calls) Called by electrons: c_bands : 125.27s CPU 129.59s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.73s WALL ( 1 calls) v_h : 0.02s CPU 0.03s WALL ( 1 calls) v_xc : 0.03s CPU 0.33s WALL ( 1 calls) newd : 0.25s CPU 0.48s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.10s WALL ( 454 calls) cegterg : 86.56s CPU 87.07s WALL ( 455 calls) Called by sum_band: Called by *egterg: h_psi : 44.33s CPU 47.00s WALL ( 6740 calls) s_psi : 2.51s CPU 3.12s WALL ( 6740 calls) g_psi : 0.02s CPU 0.07s WALL ( 5831 calls) cdiaghg : 30.23s CPU 29.49s WALL ( 6285 calls) cegterg:over : 8.15s CPU 6.47s WALL ( 5831 calls) cegterg:upda : 0.13s CPU 0.70s WALL ( 5831 calls) cegterg:last : 0.14s CPU 0.51s WALL ( 1372 calls) Called by h_psi: h_psi:vloc : 37.65s CPU 40.69s WALL ( 6740 calls) h_psi:vnl : 6.66s CPU 6.25s WALL ( 6740 calls) add_vuspsi : 0.76s CPU 2.02s WALL ( 6740 calls) General routines calbec : 5.88s CPU 4.18s WALL ( 6740 calls) fft : 0.26s CPU 1.07s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 36.12s CPU 39.08s WALL ( 499968 calls) interpolate : 0.03s CPU 0.06s WALL ( 4 calls) davcio : 0.03s CPU 2.87s WALL ( 908 calls) Parallel routines fft_scatter : 26.53s CPU 28.25s WALL ( 499991 calls) PWSCF : 2m33.70s CPU 3m53.54s WALL This run was terminated on: 7:51:33 26Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=