Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:40:43 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 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: ./Se.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 8 6 2 138 92 18 Max 9 7 3 143 101 22 Sum 289 221 75 5095 3491 699 Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 6.5889 a.u. unit-cell volume = 234.4111 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 12.00 number of Kohn-Sham states= 20 kinetic-energy cutoff = 23.0000 Ry charge density cutoff = 118.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.588939 celldm(2)= 1.000000 celldm(3)= 1.164706 celldm(4)= 0.022140 celldm(5)= 0.022140 celldm(6)= -0.709433 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.709433 0.704773 0.000000 ) a(3) = ( 0.025787 0.062547 1.162739 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.006612 -0.076326 ) b(2) = ( 0.000000 1.418896 -0.076326 ) b(3) = ( 0.000000 0.000000 0.860038 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) 2 Sym. Ops., with 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 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 564 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017730 k( 2) = ( 0.0041785 0.0101350 -0.0005452), wk = 0.0017730 k( 3) = ( 0.0083570 0.0202699 -0.0010904), wk = 0.0017730 k( 4) = ( 0.0125355 0.0304049 -0.0016356), wk = 0.0017730 k( 5) = ( 0.0167140 0.0405399 -0.0021807), wk = 0.0017730 k( 6) = ( 0.0208925 0.0506749 -0.0027259), wk = 0.0017730 k( 7) = ( 0.0250710 0.0608098 -0.0032711), wk = 0.0017730 k( 8) = ( 0.0292495 0.0709448 -0.0038163), wk = 0.0017730 k( 9) = ( 0.0334280 0.0810798 -0.0043615), wk = 0.0017730 k( 10) = ( 0.0376065 0.0912148 -0.0049067), wk = 0.0017730 k( 11) = ( 0.0417850 0.1013498 -0.0054519), wk = 0.0017730 k( 12) = ( 0.0459635 0.1114847 -0.0059970), wk = 0.0017730 k( 13) = ( 0.0501419 0.1216197 -0.0065422), wk = 0.0017730 k( 14) = ( 0.0543204 0.1317547 -0.0070874), wk = 0.0017730 k( 15) = ( 0.0584989 0.1418896 -0.0076326), wk = 0.0017730 k( 16) = ( 0.0626774 0.1520246 -0.0081778), wk = 0.0017730 k( 17) = ( 0.0668559 0.1621596 -0.0087230), wk = 0.0017730 k( 18) = ( 0.0710344 0.1722945 -0.0092682), wk = 0.0017730 k( 19) = ( 0.0752129 0.1824295 -0.0098133), wk = 0.0017730 k( 20) = ( 0.0793914 0.1925645 -0.0103585), wk = 0.0017730 k( 21) = ( 0.0835699 0.2026995 -0.0109037), wk = 0.0017730 k( 22) = ( 0.0877484 0.2128345 -0.0114489), wk = 0.0017730 k( 23) = ( 0.0919269 0.2229694 -0.0119941), wk = 0.0017730 k( 24) = ( 0.0961054 0.2331044 -0.0125393), wk = 0.0017730 k( 25) = ( 0.1002839 0.2432394 -0.0130845), wk = 0.0017730 k( 26) = ( 0.1044624 0.2533744 -0.0136296), wk = 0.0017730 k( 27) = ( 0.1086409 0.2635093 -0.0141748), wk = 0.0017730 k( 28) = ( 0.1128194 0.2736443 -0.0147200), wk = 0.0017730 k( 29) = ( 0.1169979 0.2837793 -0.0152652), wk = 0.0017730 k( 30) = ( 0.1211764 0.2939142 -0.0158104), wk = 0.0017730 k( 31) = ( 0.1253549 0.3040492 -0.0163556), wk = 0.0017730 k( 32) = ( 0.1295334 0.3141842 -0.0169008), wk = 0.0017730 k( 33) = ( 0.1337119 0.3243192 -0.0174460), wk = 0.0017730 k( 34) = ( 0.1378903 0.3344541 -0.0179911), wk = 0.0017730 k( 35) = ( 0.1420688 0.3445891 -0.0185363), wk = 0.0017730 k( 36) = ( 0.1462473 0.3547241 -0.0190815), wk = 0.0017730 k( 37) = ( 0.1504258 0.3648591 -0.0196267), wk = 0.0017730 k( 38) = ( 0.1546043 0.3749940 -0.0201719), wk = 0.0017730 k( 39) = ( 0.1587828 0.3851290 -0.0207171), wk = 0.0017730 k( 40) = ( 0.1629613 0.3952640 -0.0212623), wk = 0.0017730 k( 41) = ( 0.1671398 0.4053990 -0.0218074), wk = 0.0017730 k( 42) = ( 0.1713183 0.4155339 -0.0223526), wk = 0.0017730 k( 43) = ( 0.1754968 0.4256689 -0.0228978), wk = 0.0017730 k( 44) = ( 0.1796753 0.4358039 -0.0234430), wk = 0.0017730 k( 45) = ( 0.1838538 0.4459388 -0.0239882), wk = 0.0017730 k( 46) = ( 0.1880323 0.4560738 -0.0245334), wk = 0.0017730 k( 47) = ( 0.1922108 0.4662088 -0.0250786), wk = 0.0017730 k( 48) = ( 0.1963893 0.4763438 -0.0256237), wk = 0.0017730 k( 49) = ( 0.2005678 0.4864787 -0.0261689), wk = 0.0017730 k( 50) = ( 0.2047463 0.4966137 -0.0267141), wk = 0.0017730 k( 51) = ( 0.2089248 0.5067487 -0.0272593), wk = 0.0017730 k( 52) = ( 0.2131033 0.5168837 -0.0278045), wk = 0.0017730 k( 53) = ( 0.2172818 0.5270186 -0.0283497), wk = 0.0017730 k( 54) = ( 0.2214603 0.5371536 -0.0288949), wk = 0.0017730 k( 55) = ( 0.2256388 0.5472886 -0.0294400), wk = 0.0017730 k( 56) = ( 0.2298173 0.5574236 -0.0299852), wk = 0.0017730 k( 57) = ( 0.2339958 0.5675585 -0.0305304), wk = 0.0017730 k( 58) = ( 0.2381742 0.5776935 -0.0310756), wk = 0.0017730 k( 59) = ( 0.2423527 0.5878285 -0.0316208), wk = 0.0017730 k( 60) = ( 0.2465312 0.5979635 -0.0321660), wk = 0.0017730 k( 61) = ( 0.2507097 0.6080984 -0.0327112), wk = 0.0017730 k( 62) = ( 0.2548882 0.6182334 -0.0332563), wk = 0.0017730 k( 63) = ( 0.2590667 0.6283684 -0.0338015), wk = 0.0017730 k( 64) = ( 0.2632452 0.6385034 -0.0343467), wk = 0.0017730 k( 65) = ( 0.2674237 0.6486383 -0.0348919), wk = 0.0017730 k( 66) = ( 0.2716022 0.6587733 -0.0354371), wk = 0.0017730 k( 67) = ( 0.2757807 0.6689083 -0.0359823), wk = 0.0017730 k( 68) = ( 0.2799592 0.6790433 -0.0365275), wk = 0.0017730 k( 69) = ( 0.2841377 0.6891782 -0.0370726), wk = 0.0017730 k( 70) = ( 0.2883162 0.6993132 -0.0376178), wk = 0.0017730 k( 71) = ( 0.2924947 0.7094482 -0.0381630), wk = 0.0017730 k( 72) = ( 0.2924947 0.7094482 -0.0381630), wk = 0.0017730 k( 73) = ( 0.2927361 0.7100337 -0.0272781), wk = 0.0017730 k( 74) = ( 0.2929775 0.7106192 -0.0163932), wk = 0.0017730 k( 75) = ( 0.2932189 0.7112048 -0.0055084), wk = 0.0017730 k( 76) = ( 0.2934603 0.7117903 0.0053765), wk = 0.0017730 k( 77) = ( 0.2937017 0.7123758 0.0162614), wk = 0.0017730 k( 78) = ( 0.2939431 0.7129613 0.0271463), wk = 0.0017730 k( 79) = ( 0.2941845 0.7135469 0.0380312), wk = 0.0017730 k( 80) = ( 0.2944259 0.7141324 0.0489161), wk = 0.0017730 k( 81) = ( 0.2946673 0.7147179 0.0598010), wk = 0.0017730 k( 82) = ( 0.2949087 0.7153034 0.0706859), wk = 0.0017730 k( 83) = ( 0.2951501 0.7158889 0.0815707), wk = 0.0017730 k( 84) = ( 0.2953915 0.7164745 0.0924556), wk = 0.0017730 k( 85) = ( 0.2956329 0.7170600 0.1033405), wk = 0.0017730 k( 86) = ( 0.2958743 0.7176455 0.1142254), wk = 0.0017730 k( 87) = ( 0.2961157 0.7182311 0.1251103), wk = 0.0017730 k( 88) = ( 0.2963571 0.7188166 0.1359952), wk = 0.0017730 k( 89) = ( 0.2965985 0.7194021 0.1468801), wk = 0.0017730 k( 90) = ( 0.2968400 0.7199876 0.1577649), wk = 0.0017730 k( 91) = ( 0.2970814 0.7205732 0.1686498), wk = 0.0017730 k( 92) = ( 0.2973228 0.7211587 0.1795347), wk = 0.0017730 k( 93) = ( 0.2975642 0.7217442 0.1904196), wk = 0.0017730 k( 94) = ( 0.2978056 0.7223297 0.2013045), wk = 0.0017730 k( 95) = ( 0.2980470 0.7229153 0.2121894), wk = 0.0017730 k( 96) = ( 0.2982884 0.7235008 0.2230743), wk = 0.0017730 k( 97) = ( 0.2985298 0.7240863 0.2339592), wk = 0.0017730 k( 98) = ( 0.2987712 0.7246718 0.2448440), wk = 0.0017730 k( 99) = ( 0.2990126 0.7252574 0.2557289), wk = 0.0017730 k( 100) = ( 0.2992540 0.7258429 0.2666138), wk = 0.0017730 k( 101) = ( 0.2994954 0.7264284 0.2774987), wk = 0.0017730 k( 102) = ( 0.2997368 0.7270140 0.2883836), wk = 0.0017730 k( 103) = ( 0.2999782 0.7275995 0.2992685), wk = 0.0017730 k( 104) = ( 0.3002196 0.7281850 0.3101534), wk = 0.0017730 k( 105) = ( 0.3004610 0.7287705 0.3210383), wk = 0.0017730 k( 106) = ( 0.3007024 0.7293560 0.3319231), wk = 0.0017730 k( 107) = ( 0.3009438 0.7299416 0.3428080), wk = 0.0017730 k( 108) = ( 0.3011852 0.7305271 0.3536929), wk = 0.0017730 k( 109) = ( 0.3011852 0.7305271 0.3536929), wk = 0.0017730 k( 110) = ( 0.2992540 0.7258429 0.3621736), wk = 0.0017730 k( 111) = ( 0.2973228 0.7211587 0.3706543), wk = 0.0017730 k( 112) = ( 0.2953915 0.7164745 0.3791349), wk = 0.0017730 k( 113) = ( 0.2934603 0.7117903 0.3876156), wk = 0.0017730 k( 114) = ( 0.2915291 0.7071061 0.3960963), wk = 0.0017730 k( 115) = ( 0.2895978 0.7024219 0.4045769), wk = 0.0017730 k( 116) = ( 0.2876666 0.6977377 0.4130576), wk = 0.0017730 k( 117) = ( 0.2857354 0.6930534 0.4215383), wk = 0.0017730 k( 118) = ( 0.2838042 0.6883693 0.4300189), wk = 0.0017730 k( 119) = ( 0.2838042 0.6883693 0.4300189), wk = 0.0017730 k( 120) = ( 0.2796306 0.6782462 0.4300189), wk = 0.0017730 k( 121) = ( 0.2754570 0.6681231 0.4300189), wk = 0.0017730 k( 122) = ( 0.2712834 0.6580000 0.4300189), wk = 0.0017730 k( 123) = ( 0.2671098 0.6478769 0.4300189), wk = 0.0017730 k( 124) = ( 0.2629362 0.6377539 0.4300189), wk = 0.0017730 k( 125) = ( 0.2587626 0.6276308 0.4300189), wk = 0.0017730 k( 126) = ( 0.2545890 0.6175077 0.4300189), wk = 0.0017730 k( 127) = ( 0.2504154 0.6073846 0.4300189), wk = 0.0017730 k( 128) = ( 0.2462419 0.5972616 0.4300189), wk = 0.0017730 k( 129) = ( 0.2420683 0.5871385 0.4300189), wk = 0.0017730 k( 130) = ( 0.2378947 0.5770154 0.4300189), wk = 0.0017730 k( 131) = ( 0.2337211 0.5668923 0.4300189), wk = 0.0017730 k( 132) = ( 0.2295475 0.5567693 0.4300189), wk = 0.0017730 k( 133) = ( 0.2253739 0.5466462 0.4300189), wk = 0.0017730 k( 134) = ( 0.2212003 0.5365231 0.4300189), wk = 0.0017730 k( 135) = ( 0.2170267 0.5264000 0.4300189), wk = 0.0017730 k( 136) = ( 0.2128531 0.5162769 0.4300189), wk = 0.0017730 k( 137) = ( 0.2086795 0.5061538 0.4300189), wk = 0.0017730 k( 138) = ( 0.2045059 0.4960308 0.4300189), wk = 0.0017730 k( 139) = ( 0.2003323 0.4859077 0.4300189), wk = 0.0017730 k( 140) = ( 0.1961588 0.4757846 0.4300189), wk = 0.0017730 k( 141) = ( 0.1919852 0.4656615 0.4300189), wk = 0.0017730 k( 142) = ( 0.1878116 0.4555385 0.4300189), wk = 0.0017730 k( 143) = ( 0.1836380 0.4454154 0.4300189), wk = 0.0017730 k( 144) = ( 0.1794644 0.4352923 0.4300189), wk = 0.0017730 k( 145) = ( 0.1752908 0.4251692 0.4300189), wk = 0.0017730 k( 146) = ( 0.1711172 0.4150462 0.4300189), wk = 0.0017730 k( 147) = ( 0.1669436 0.4049231 0.4300189), wk = 0.0017730 k( 148) = ( 0.1627700 0.3948000 0.4300189), wk = 0.0017730 k( 149) = ( 0.1585964 0.3846769 0.4300189), wk = 0.0017730 k( 150) = ( 0.1544229 0.3745539 0.4300189), wk = 0.0017730 k( 151) = ( 0.1502493 0.3644308 0.4300189), wk = 0.0017730 k( 152) = ( 0.1460757 0.3543077 0.4300189), wk = 0.0017730 k( 153) = ( 0.1419021 0.3441846 0.4300189), wk = 0.0017730 k( 154) = ( 0.1377285 0.3340615 0.4300189), wk = 0.0017730 k( 155) = ( 0.1335549 0.3239385 0.4300189), wk = 0.0017730 k( 156) = ( 0.1293813 0.3138154 0.4300189), wk = 0.0017730 k( 157) = ( 0.1252077 0.3036923 0.4300189), wk = 0.0017730 k( 158) = ( 0.1210341 0.2935692 0.4300189), wk = 0.0017730 k( 159) = ( 0.1168605 0.2834462 0.4300189), wk = 0.0017730 k( 160) = ( 0.1126869 0.2733231 0.4300189), wk = 0.0017730 k( 161) = ( 0.1085134 0.2632000 0.4300189), wk = 0.0017730 k( 162) = ( 0.1043398 0.2530769 0.4300189), wk = 0.0017730 k( 163) = ( 0.1001662 0.2429539 0.4300189), wk = 0.0017730 k( 164) = ( 0.0959926 0.2328308 0.4300189), wk = 0.0017730 k( 165) = ( 0.0918190 0.2227077 0.4300189), wk = 0.0017730 k( 166) = ( 0.0876454 0.2125846 0.4300189), wk = 0.0017730 k( 167) = ( 0.0834718 0.2024615 0.4300189), wk = 0.0017730 k( 168) = ( 0.0792982 0.1923385 0.4300189), wk = 0.0017730 k( 169) = ( 0.0751246 0.1822154 0.4300189), wk = 0.0017730 k( 170) = ( 0.0709510 0.1720923 0.4300189), wk = 0.0017730 k( 171) = ( 0.0667775 0.1619692 0.4300189), wk = 0.0017730 k( 172) = ( 0.0626039 0.1518462 0.4300189), wk = 0.0017730 k( 173) = ( 0.0584303 0.1417231 0.4300189), wk = 0.0017730 k( 174) = ( 0.0542567 0.1316000 0.4300189), wk = 0.0017730 k( 175) = ( 0.0500831 0.1214769 0.4300189), wk = 0.0017730 k( 176) = ( 0.0459095 0.1113539 0.4300189), wk = 0.0017730 k( 177) = ( 0.0417359 0.1012308 0.4300189), wk = 0.0017730 k( 178) = ( 0.0375623 0.0911077 0.4300189), wk = 0.0017730 k( 179) = ( 0.0333887 0.0809846 0.4300189), wk = 0.0017730 k( 180) = ( 0.0292151 0.0708615 0.4300189), wk = 0.0017730 k( 181) = ( 0.0250415 0.0607385 0.4300189), wk = 0.0017730 k( 182) = ( 0.0208679 0.0506154 0.4300189), wk = 0.0017730 k( 183) = ( 0.0166944 0.0404923 0.4300189), wk = 0.0017730 k( 184) = ( 0.0125208 0.0303692 0.4300189), wk = 0.0017730 k( 185) = ( 0.0083472 0.0202462 0.4300189), wk = 0.0017730 k( 186) = ( 0.0041736 0.0101231 0.4300189), wk = 0.0017730 k( 187) = ( 0.0000000 0.0000000 0.4300189), wk = 0.0017730 k( 188) = ( 0.0000000 0.0000000 0.4300189), wk = 0.0017730 k( 189) = ( 0.0102041 -0.0042070 0.4300189), wk = 0.0017730 k( 190) = ( 0.0204082 -0.0084140 0.4300189), wk = 0.0017730 k( 191) = ( 0.0306122 -0.0126210 0.4300189), wk = 0.0017730 k( 192) = ( 0.0408163 -0.0168280 0.4300189), wk = 0.0017730 k( 193) = ( 0.0510204 -0.0210349 0.4300189), wk = 0.0017730 k( 194) = ( 0.0612245 -0.0252419 0.4300189), wk = 0.0017730 k( 195) = ( 0.0714286 -0.0294489 0.4300189), wk = 0.0017730 k( 196) = ( 0.0816327 -0.0336559 0.4300189), wk = 0.0017730 k( 197) = ( 0.0918367 -0.0378629 0.4300189), wk = 0.0017730 k( 198) = ( 0.1020408 -0.0420699 0.4300189), wk = 0.0017730 k( 199) = ( 0.1122449 -0.0462769 0.4300189), wk = 0.0017730 k( 200) = ( 0.1224490 -0.0504839 0.4300189), wk = 0.0017730 k( 201) = ( 0.1326531 -0.0546908 0.4300189), wk = 0.0017730 k( 202) = ( 0.1428571 -0.0588978 0.4300189), wk = 0.0017730 k( 203) = ( 0.1530612 -0.0631048 0.4300189), wk = 0.0017730 k( 204) = ( 0.1632653 -0.0673118 0.4300189), wk = 0.0017730 k( 205) = ( 0.1734694 -0.0715188 0.4300189), wk = 0.0017730 k( 206) = ( 0.1836735 -0.0757258 0.4300189), wk = 0.0017730 k( 207) = ( 0.1938776 -0.0799328 0.4300189), wk = 0.0017730 k( 208) = ( 0.2040816 -0.0841398 0.4300189), wk = 0.0017730 k( 209) = ( 0.2142857 -0.0883467 0.4300189), wk = 0.0017730 k( 210) = ( 0.2244898 -0.0925537 0.4300189), wk = 0.0017730 k( 211) = ( 0.2346939 -0.0967607 0.4300189), wk = 0.0017730 k( 212) = ( 0.2448980 -0.1009677 0.4300189), wk = 0.0017730 k( 213) = ( 0.2551020 -0.1051747 0.4300189), wk = 0.0017730 k( 214) = ( 0.2653061 -0.1093817 0.4300189), wk = 0.0017730 k( 215) = ( 0.2755102 -0.1135887 0.4300189), wk = 0.0017730 k( 216) = ( 0.2857143 -0.1177957 0.4300189), wk = 0.0017730 k( 217) = ( 0.2959184 -0.1220026 0.4300189), wk = 0.0017730 k( 218) = ( 0.3061224 -0.1262096 0.4300189), wk = 0.0017730 k( 219) = ( 0.3163265 -0.1304166 0.4300189), wk = 0.0017730 k( 220) = ( 0.3265306 -0.1346236 0.4300189), wk = 0.0017730 k( 221) = ( 0.3367347 -0.1388306 0.4300189), wk = 0.0017730 k( 222) = ( 0.3469388 -0.1430376 0.4300189), wk = 0.0017730 k( 223) = ( 0.3571429 -0.1472446 0.4300189), wk = 0.0017730 k( 224) = ( 0.3673469 -0.1514516 0.4300189), wk = 0.0017730 k( 225) = ( 0.3775510 -0.1556585 0.4300189), wk = 0.0017730 k( 226) = ( 0.3877551 -0.1598655 0.4300189), wk = 0.0017730 k( 227) = ( 0.3979592 -0.1640725 0.4300189), wk = 0.0017730 k( 228) = ( 0.4081633 -0.1682795 0.4300189), wk = 0.0017730 k( 229) = ( 0.4183674 -0.1724865 0.4300189), wk = 0.0017730 k( 230) = ( 0.4285714 -0.1766935 0.4300189), wk = 0.0017730 k( 231) = ( 0.4387755 -0.1809005 0.4300189), wk = 0.0017730 k( 232) = ( 0.4489796 -0.1851075 0.4300189), wk = 0.0017730 k( 233) = ( 0.4591837 -0.1893144 0.4300189), wk = 0.0017730 k( 234) = ( 0.4693878 -0.1935214 0.4300189), wk = 0.0017730 k( 235) = ( 0.4795918 -0.1977284 0.4300189), wk = 0.0017730 k( 236) = ( 0.4897959 -0.2019354 0.4300189), wk = 0.0017730 k( 237) = ( 0.5000000 -0.2061424 0.4300189), wk = 0.0017730 k( 238) = ( 0.5000000 -0.2061424 0.4300189), wk = 0.0017730 k( 239) = ( 0.5042301 -0.1958823 0.4300189), wk = 0.0017730 k( 240) = ( 0.5084602 -0.1856221 0.4300189), wk = 0.0017730 k( 241) = ( 0.5126903 -0.1753619 0.4300189), wk = 0.0017730 k( 242) = ( 0.5169204 -0.1651018 0.4300189), wk = 0.0017730 k( 243) = ( 0.5211505 -0.1548417 0.4300189), wk = 0.0017730 k( 244) = ( 0.5253806 -0.1445815 0.4300189), wk = 0.0017730 k( 245) = ( 0.5296107 -0.1343214 0.4300189), wk = 0.0017730 k( 246) = ( 0.5338408 -0.1240612 0.4300189), wk = 0.0017730 k( 247) = ( 0.5380709 -0.1138011 0.4300189), wk = 0.0017730 k( 248) = ( 0.5423010 -0.1035409 0.4300189), wk = 0.0017730 k( 249) = ( 0.5465311 -0.0932808 0.4300189), wk = 0.0017730 k( 250) = ( 0.5507612 -0.0830207 0.4300189), wk = 0.0017730 k( 251) = ( 0.5549913 -0.0727605 0.4300189), wk = 0.0017730 k( 252) = ( 0.5592214 -0.0625003 0.4300189), wk = 0.0017730 k( 253) = ( 0.5634515 -0.0522402 0.4300189), wk = 0.0017730 k( 254) = ( 0.5676816 -0.0419801 0.4300189), wk = 0.0017730 k( 255) = ( 0.5719117 -0.0317199 0.4300189), wk = 0.0017730 k( 256) = ( 0.5761418 -0.0214598 0.4300189), wk = 0.0017730 k( 257) = ( 0.5803719 -0.0111996 0.4300189), wk = 0.0017730 k( 258) = ( 0.5846020 -0.0009395 0.4300189), wk = 0.0017730 k( 259) = ( 0.5888321 0.0093207 0.4300189), wk = 0.0017730 k( 260) = ( 0.5930622 0.0195808 0.4300189), wk = 0.0017730 k( 261) = ( 0.5972924 0.0298410 0.4300189), wk = 0.0017730 k( 262) = ( 0.6015225 0.0401011 0.4300189), wk = 0.0017730 k( 263) = ( 0.6057525 0.0503613 0.4300189), wk = 0.0017730 k( 264) = ( 0.6099826 0.0606214 0.4300189), wk = 0.0017730 k( 265) = ( 0.6142127 0.0708815 0.4300189), wk = 0.0017730 k( 266) = ( 0.6184429 0.0811417 0.4300189), wk = 0.0017730 k( 267) = ( 0.6226730 0.0914018 0.4300189), wk = 0.0017730 k( 268) = ( 0.6269031 0.1016620 0.4300189), wk = 0.0017730 k( 269) = ( 0.6311332 0.1119221 0.4300189), wk = 0.0017730 k( 270) = ( 0.6353633 0.1221823 0.4300189), wk = 0.0017730 k( 271) = ( 0.6395934 0.1324424 0.4300189), wk = 0.0017730 k( 272) = ( 0.6438235 0.1427026 0.4300189), wk = 0.0017730 k( 273) = ( 0.6480536 0.1529627 0.4300189), wk = 0.0017730 k( 274) = ( 0.6522837 0.1632229 0.4300189), wk = 0.0017730 k( 275) = ( 0.6565138 0.1734830 0.4300189), wk = 0.0017730 k( 276) = ( 0.6607439 0.1837432 0.4300189), wk = 0.0017730 k( 277) = ( 0.6649740 0.1940033 0.4300189), wk = 0.0017730 k( 278) = ( 0.6692041 0.2042634 0.4300189), wk = 0.0017730 k( 279) = ( 0.6734342 0.2145236 0.4300189), wk = 0.0017730 k( 280) = ( 0.6776643 0.2247837 0.4300189), wk = 0.0017730 k( 281) = ( 0.6818944 0.2350439 0.4300189), wk = 0.0017730 k( 282) = ( 0.6861245 0.2453040 0.4300189), wk = 0.0017730 k( 283) = ( 0.6903546 0.2555642 0.4300189), wk = 0.0017730 k( 284) = ( 0.6945847 0.2658243 0.4300189), wk = 0.0017730 k( 285) = ( 0.6988148 0.2760845 0.4300189), wk = 0.0017730 k( 286) = ( 0.7161958 0.3182423 0.3536929), wk = 0.0017730 k( 287) = ( 0.7159544 0.3176568 0.3428080), wk = 0.0017730 k( 288) = ( 0.7157130 0.3170713 0.3319231), wk = 0.0017730 k( 289) = ( 0.7154716 0.3164857 0.3210382), wk = 0.0017730 k( 290) = ( 0.7152302 0.3159002 0.3101534), wk = 0.0017730 k( 291) = ( 0.7149888 0.3153147 0.2992685), wk = 0.0017730 k( 292) = ( 0.7147474 0.3147291 0.2883836), wk = 0.0017730 k( 293) = ( 0.7145060 0.3141436 0.2774987), wk = 0.0017730 k( 294) = ( 0.7142646 0.3135581 0.2666138), wk = 0.0017730 k( 295) = ( 0.7140232 0.3129726 0.2557289), wk = 0.0017730 k( 296) = ( 0.7137818 0.3123871 0.2448440), wk = 0.0017730 k( 297) = ( 0.7135404 0.3118015 0.2339592), wk = 0.0017730 k( 298) = ( 0.7132990 0.3112160 0.2230743), wk = 0.0017730 k( 299) = ( 0.7130576 0.3106305 0.2121894), wk = 0.0017730 k( 300) = ( 0.7128162 0.3100450 0.2013045), wk = 0.0017730 k( 301) = ( 0.7125748 0.3094594 0.1904196), wk = 0.0017730 k( 302) = ( 0.7123334 0.3088739 0.1795347), wk = 0.0017730 k( 303) = ( 0.7120920 0.3082884 0.1686498), wk = 0.0017730 k( 304) = ( 0.7118506 0.3077028 0.1577649), wk = 0.0017730 k( 305) = ( 0.7116092 0.3071173 0.1468801), wk = 0.0017730 k( 306) = ( 0.7113678 0.3065318 0.1359952), wk = 0.0017730 k( 307) = ( 0.7111264 0.3059463 0.1251103), wk = 0.0017730 k( 308) = ( 0.7108850 0.3053607 0.1142254), wk = 0.0017730 k( 309) = ( 0.7106436 0.3047752 0.1033405), wk = 0.0017730 k( 310) = ( 0.7104021 0.3041897 0.0924556), wk = 0.0017730 k( 311) = ( 0.7101608 0.3036042 0.0815707), wk = 0.0017730 k( 312) = ( 0.7099193 0.3030187 0.0706859), wk = 0.0017730 k( 313) = ( 0.7096779 0.3024331 0.0598010), wk = 0.0017730 k( 314) = ( 0.7094365 0.3018476 0.0489161), wk = 0.0017730 k( 315) = ( 0.7091951 0.3012621 0.0380312), wk = 0.0017730 k( 316) = ( 0.7089537 0.3006765 0.0271463), wk = 0.0017730 k( 317) = ( 0.7087123 0.3000910 0.0162614), wk = 0.0017730 k( 318) = ( 0.7084709 0.2995055 0.0053765), wk = 0.0017730 k( 319) = ( 0.7082295 0.2989200 -0.0055084), wk = 0.0017730 k( 320) = ( 0.7079881 0.2983344 -0.0163932), wk = 0.0017730 k( 321) = ( 0.7077467 0.2977489 -0.0272781), wk = 0.0017730 k( 322) = ( 0.7075053 0.2971634 -0.0381630), wk = 0.0017730 k( 323) = ( 0.7075053 0.2971634 -0.0381630), wk = 0.0017730 k( 324) = ( 0.7033552 0.2870973 -0.0373998), wk = 0.0017730 k( 325) = ( 0.6992051 0.2770312 -0.0366365), wk = 0.0017730 k( 326) = ( 0.6950550 0.2669651 -0.0358732), wk = 0.0017730 k( 327) = ( 0.6909049 0.2568989 -0.0351100), wk = 0.0017730 k( 328) = ( 0.6867548 0.2468328 -0.0343467), wk = 0.0017730 k( 329) = ( 0.6826047 0.2367667 -0.0335835), wk = 0.0017730 k( 330) = ( 0.6784546 0.2267006 -0.0328202), wk = 0.0017730 k( 331) = ( 0.6743045 0.2166345 -0.0320569), wk = 0.0017730 k( 332) = ( 0.6701544 0.2065684 -0.0312937), wk = 0.0017730 k( 333) = ( 0.6660042 0.1965022 -0.0305304), wk = 0.0017730 k( 334) = ( 0.6618542 0.1864361 -0.0297672), wk = 0.0017730 k( 335) = ( 0.6577040 0.1763700 -0.0290039), wk = 0.0017730 k( 336) = ( 0.6535539 0.1663039 -0.0282406), wk = 0.0017730 k( 337) = ( 0.6494038 0.1562378 -0.0274774), wk = 0.0017730 k( 338) = ( 0.6452537 0.1461717 -0.0267141), wk = 0.0017730 k( 339) = ( 0.6411036 0.1361055 -0.0259508), wk = 0.0017730 k( 340) = ( 0.6369535 0.1260394 -0.0251876), wk = 0.0017730 k( 341) = ( 0.6328034 0.1159733 -0.0244243), wk = 0.0017730 k( 342) = ( 0.6286533 0.1059072 -0.0236611), wk = 0.0017730 k( 343) = ( 0.6245032 0.0958411 -0.0228978), wk = 0.0017730 k( 344) = ( 0.6203531 0.0857750 -0.0221345), wk = 0.0017730 k( 345) = ( 0.6162030 0.0757089 -0.0213713), wk = 0.0017730 k( 346) = ( 0.6120529 0.0656427 -0.0206080), wk = 0.0017730 k( 347) = ( 0.6079028 0.0555766 -0.0198448), wk = 0.0017730 k( 348) = ( 0.6037527 0.0455105 -0.0190815), wk = 0.0017730 k( 349) = ( 0.5996025 0.0354444 -0.0183182), wk = 0.0017730 k( 350) = ( 0.5954524 0.0253783 -0.0175550), wk = 0.0017730 k( 351) = ( 0.5913023 0.0153122 -0.0167917), wk = 0.0017730 k( 352) = ( 0.5871522 0.0052460 -0.0160285), wk = 0.0017730 k( 353) = ( 0.5830021 -0.0048201 -0.0152652), wk = 0.0017730 k( 354) = ( 0.5788520 -0.0148862 -0.0145019), wk = 0.0017730 k( 355) = ( 0.5747019 -0.0249523 -0.0137387), wk = 0.0017730 k( 356) = ( 0.5705518 -0.0350184 -0.0129754), wk = 0.0017730 k( 357) = ( 0.5664017 -0.0450845 -0.0122122), wk = 0.0017730 k( 358) = ( 0.5622516 -0.0551507 -0.0114489), wk = 0.0017730 k( 359) = ( 0.5581015 -0.0652168 -0.0106856), wk = 0.0017730 k( 360) = ( 0.5539514 -0.0752829 -0.0099224), wk = 0.0017730 k( 361) = ( 0.5498013 -0.0853490 -0.0091591), wk = 0.0017730 k( 362) = ( 0.5456512 -0.0954151 -0.0083959), wk = 0.0017730 k( 363) = ( 0.5415011 -0.1054812 -0.0076326), wk = 0.0017730 k( 364) = ( 0.5373510 -0.1155473 -0.0068693), wk = 0.0017730 k( 365) = ( 0.5332008 -0.1256135 -0.0061061), wk = 0.0017730 k( 366) = ( 0.5290507 -0.1356796 -0.0053428), wk = 0.0017730 k( 367) = ( 0.5249006 -0.1457457 -0.0045796), wk = 0.0017730 k( 368) = ( 0.5207505 -0.1558118 -0.0038163), wk = 0.0017730 k( 369) = ( 0.5166004 -0.1658779 -0.0030530), wk = 0.0017730 k( 370) = ( 0.5124503 -0.1759440 -0.0022898), wk = 0.0017730 k( 371) = ( 0.5083002 -0.1860102 -0.0015265), wk = 0.0017730 k( 372) = ( 0.5041501 -0.1960763 -0.0007633), wk = 0.0017730 k( 373) = ( 0.5000000 -0.2061424 -0.0000000), wk = 0.0017730 k( 374) = ( 0.5000000 -0.2061424 -0.0000000), wk = 0.0017730 k( 375) = ( 0.4897959 -0.2019354 -0.0000000), wk = 0.0017730 k( 376) = ( 0.4795918 -0.1977284 -0.0000000), wk = 0.0017730 k( 377) = ( 0.4693878 -0.1935214 -0.0000000), wk = 0.0017730 k( 378) = ( 0.4591837 -0.1893144 -0.0000000), wk = 0.0017730 k( 379) = ( 0.4489796 -0.1851075 -0.0000000), wk = 0.0017730 k( 380) = ( 0.4387755 -0.1809005 -0.0000000), wk = 0.0017730 k( 381) = ( 0.4285714 -0.1766935 -0.0000000), wk = 0.0017730 k( 382) = ( 0.4183674 -0.1724865 -0.0000000), wk = 0.0017730 k( 383) = ( 0.4081633 -0.1682795 -0.0000000), wk = 0.0017730 k( 384) = ( 0.3979592 -0.1640725 -0.0000000), wk = 0.0017730 k( 385) = ( 0.3877551 -0.1598655 -0.0000000), wk = 0.0017730 k( 386) = ( 0.3775510 -0.1556585 -0.0000000), wk = 0.0017730 k( 387) = ( 0.3673469 -0.1514516 -0.0000000), wk = 0.0017730 k( 388) = ( 0.3571429 -0.1472446 -0.0000000), wk = 0.0017730 k( 389) = ( 0.3469388 -0.1430376 -0.0000000), wk = 0.0017730 k( 390) = ( 0.3367347 -0.1388306 -0.0000000), wk = 0.0017730 k( 391) = ( 0.3265306 -0.1346236 -0.0000000), wk = 0.0017730 k( 392) = ( 0.3163265 -0.1304166 -0.0000000), wk = 0.0017730 k( 393) = ( 0.3061224 -0.1262096 -0.0000000), wk = 0.0017730 k( 394) = ( 0.2959184 -0.1220026 -0.0000000), wk = 0.0017730 k( 395) = ( 0.2857143 -0.1177957 -0.0000000), wk = 0.0017730 k( 396) = ( 0.2755102 -0.1135887 -0.0000000), wk = 0.0017730 k( 397) = ( 0.2653061 -0.1093817 -0.0000000), wk = 0.0017730 k( 398) = ( 0.2551020 -0.1051747 -0.0000000), wk = 0.0017730 k( 399) = ( 0.2448980 -0.1009677 -0.0000000), wk = 0.0017730 k( 400) = ( 0.2346939 -0.0967607 -0.0000000), wk = 0.0017730 k( 401) = ( 0.2244898 -0.0925537 -0.0000000), wk = 0.0017730 k( 402) = ( 0.2142857 -0.0883467 -0.0000000), wk = 0.0017730 k( 403) = ( 0.2040816 -0.0841398 -0.0000000), wk = 0.0017730 k( 404) = ( 0.1938776 -0.0799328 -0.0000000), wk = 0.0017730 k( 405) = ( 0.1836735 -0.0757258 -0.0000000), wk = 0.0017730 k( 406) = ( 0.1734694 -0.0715188 -0.0000000), wk = 0.0017730 k( 407) = ( 0.1632653 -0.0673118 -0.0000000), wk = 0.0017730 k( 408) = ( 0.1530612 -0.0631048 -0.0000000), wk = 0.0017730 k( 409) = ( 0.1428571 -0.0588978 -0.0000000), wk = 0.0017730 k( 410) = ( 0.1326531 -0.0546908 -0.0000000), wk = 0.0017730 k( 411) = ( 0.1224490 -0.0504839 -0.0000000), wk = 0.0017730 k( 412) = ( 0.1122449 -0.0462769 -0.0000000), wk = 0.0017730 k( 413) = ( 0.1020408 -0.0420699 -0.0000000), wk = 0.0017730 k( 414) = ( 0.0918367 -0.0378629 -0.0000000), wk = 0.0017730 k( 415) = ( 0.0816327 -0.0336559 -0.0000000), wk = 0.0017730 k( 416) = ( 0.0714286 -0.0294489 -0.0000000), wk = 0.0017730 k( 417) = ( 0.0612245 -0.0252419 -0.0000000), wk = 0.0017730 k( 418) = ( 0.0510204 -0.0210349 -0.0000000), wk = 0.0017730 k( 419) = ( 0.0408163 -0.0168280 -0.0000000), wk = 0.0017730 k( 420) = ( 0.0306122 -0.0126210 -0.0000000), wk = 0.0017730 k( 421) = ( 0.0204082 -0.0084140 -0.0000000), wk = 0.0017730 k( 422) = ( 0.0102041 -0.0042070 -0.0000000), wk = 0.0017730 k( 423) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017730 k( 424) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017730 k( 425) = ( 0.0076923 0.0077432 -0.0005871), wk = 0.0017730 k( 426) = ( 0.0153846 0.0154863 -0.0011742), wk = 0.0017730 k( 427) = ( 0.0230769 0.0232295 -0.0017614), wk = 0.0017730 k( 428) = ( 0.0307692 0.0309727 -0.0023485), wk = 0.0017730 k( 429) = ( 0.0384615 0.0387158 -0.0029356), wk = 0.0017730 k( 430) = ( 0.0461539 0.0464590 -0.0035227), wk = 0.0017730 k( 431) = ( 0.0538462 0.0542022 -0.0041099), wk = 0.0017730 k( 432) = ( 0.0615385 0.0619453 -0.0046970), wk = 0.0017730 k( 433) = ( 0.0692308 0.0696885 -0.0052841), wk = 0.0017730 k( 434) = ( 0.0769231 0.0774317 -0.0058712), wk = 0.0017730 k( 435) = ( 0.0846154 0.0851748 -0.0064584), wk = 0.0017730 k( 436) = ( 0.0923077 0.0929180 -0.0070455), wk = 0.0017730 k( 437) = ( 0.1000000 0.1006612 -0.0076326), wk = 0.0017730 k( 438) = ( 0.1076923 0.1084043 -0.0082197), wk = 0.0017730 k( 439) = ( 0.1153846 0.1161475 -0.0088068), wk = 0.0017730 k( 440) = ( 0.1230769 0.1238907 -0.0093940), wk = 0.0017730 k( 441) = ( 0.1307692 0.1316338 -0.0099811), wk = 0.0017730 k( 442) = ( 0.1384615 0.1393770 -0.0105682), wk = 0.0017730 k( 443) = ( 0.1461539 0.1471202 -0.0111553), wk = 0.0017730 k( 444) = ( 0.1538461 0.1548633 -0.0117425), wk = 0.0017730 k( 445) = ( 0.1615385 0.1626065 -0.0123296), wk = 0.0017730 k( 446) = ( 0.1692308 0.1703496 -0.0129167), wk = 0.0017730 k( 447) = ( 0.1769231 0.1780928 -0.0135038), wk = 0.0017730 k( 448) = ( 0.1846154 0.1858360 -0.0140910), wk = 0.0017730 k( 449) = ( 0.1923077 0.1935791 -0.0146781), wk = 0.0017730 k( 450) = ( 0.2000000 0.2013223 -0.0152652), wk = 0.0017730 k( 451) = ( 0.2076923 0.2090655 -0.0158523), wk = 0.0017730 k( 452) = ( 0.2153846 0.2168086 -0.0164395), wk = 0.0017730 k( 453) = ( 0.2230769 0.2245518 -0.0170266), wk = 0.0017730 k( 454) = ( 0.2307692 0.2322950 -0.0176137), wk = 0.0017730 k( 455) = ( 0.2384615 0.2400381 -0.0182008), wk = 0.0017730 k( 456) = ( 0.2461539 0.2477813 -0.0187879), wk = 0.0017730 k( 457) = ( 0.2538461 0.2555245 -0.0193751), wk = 0.0017730 k( 458) = ( 0.2615385 0.2632676 -0.0199622), wk = 0.0017730 k( 459) = ( 0.2692308 0.2710108 -0.0205493), wk = 0.0017730 k( 460) = ( 0.2769231 0.2787540 -0.0211364), wk = 0.0017730 k( 461) = ( 0.2846154 0.2864971 -0.0217236), wk = 0.0017730 k( 462) = ( 0.2923077 0.2942403 -0.0223107), wk = 0.0017730 k( 463) = ( 0.3000000 0.3019835 -0.0228978), wk = 0.0017730 k( 464) = ( 0.3076923 0.3097266 -0.0234849), wk = 0.0017730 k( 465) = ( 0.3153846 0.3174698 -0.0240721), wk = 0.0017730 k( 466) = ( 0.3230769 0.3252130 -0.0246592), wk = 0.0017730 k( 467) = ( 0.3307692 0.3329561 -0.0252463), wk = 0.0017730 k( 468) = ( 0.3384615 0.3406993 -0.0258334), wk = 0.0017730 k( 469) = ( 0.3461538 0.3484425 -0.0264205), wk = 0.0017730 k( 470) = ( 0.3538462 0.3561856 -0.0270077), wk = 0.0017730 k( 471) = ( 0.3615385 0.3639288 -0.0275948), wk = 0.0017730 k( 472) = ( 0.3692308 0.3716720 -0.0281819), wk = 0.0017730 k( 473) = ( 0.3769231 0.3794151 -0.0287690), wk = 0.0017730 k( 474) = ( 0.3846154 0.3871583 -0.0293562), wk = 0.0017730 k( 475) = ( 0.3923077 0.3949015 -0.0299433), wk = 0.0017730 k( 476) = ( 0.4000000 0.4026446 -0.0305304), wk = 0.0017730 k( 477) = ( 0.4076923 0.4103878 -0.0311175), wk = 0.0017730 k( 478) = ( 0.4153846 0.4181310 -0.0317047), wk = 0.0017730 k( 479) = ( 0.4230769 0.4258741 -0.0322918), wk = 0.0017730 k( 480) = ( 0.4307692 0.4336173 -0.0328789), wk = 0.0017730 k( 481) = ( 0.4384615 0.4413605 -0.0334660), wk = 0.0017730 k( 482) = ( 0.4461539 0.4491036 -0.0340532), wk = 0.0017730 k( 483) = ( 0.4538462 0.4568468 -0.0346403), wk = 0.0017730 k( 484) = ( 0.4615385 0.4645899 -0.0352274), wk = 0.0017730 k( 485) = ( 0.4692308 0.4723331 -0.0358145), wk = 0.0017730 k( 486) = ( 0.4769231 0.4800763 -0.0364016), wk = 0.0017730 k( 487) = ( 0.4846154 0.4878194 -0.0369888), wk = 0.0017730 k( 488) = ( 0.4923077 0.4955626 -0.0375759), wk = 0.0017730 k( 489) = ( 0.5000000 0.5033058 -0.0381630), wk = 0.0017730 k( 490) = ( 0.5000000 0.5033058 0.3918559), wk = 0.0017730 k( 491) = ( 0.4932432 0.4965043 0.3865606), wk = 0.0017730 k( 492) = ( 0.4864865 0.4897029 0.3812652), wk = 0.0017730 k( 493) = ( 0.4797297 0.4829015 0.3759699), wk = 0.0017730 k( 494) = ( 0.4729730 0.4761001 0.3706745), wk = 0.0017730 k( 495) = ( 0.4662162 0.4692986 0.3653792), wk = 0.0017730 k( 496) = ( 0.4594595 0.4624972 0.3600838), wk = 0.0017730 k( 497) = ( 0.4527027 0.4556958 0.3547885), wk = 0.0017730 k( 498) = ( 0.4459459 0.4488943 0.3494931), wk = 0.0017730 k( 499) = ( 0.4391892 0.4420929 0.3441978), wk = 0.0017730 k( 500) = ( 0.4324324 0.4352915 0.3389024), wk = 0.0017730 k( 501) = ( 0.4256757 0.4284901 0.3336071), wk = 0.0017730 k( 502) = ( 0.4189189 0.4216886 0.3283117), wk = 0.0017730 k( 503) = ( 0.4121622 0.4148872 0.3230164), wk = 0.0017730 k( 504) = ( 0.4054054 0.4080858 0.3177210), wk = 0.0017730 k( 505) = ( 0.3986486 0.4012843 0.3124257), wk = 0.0017730 k( 506) = ( 0.3918919 0.3944829 0.3071303), wk = 0.0017730 k( 507) = ( 0.3851351 0.3876815 0.3018350), wk = 0.0017730 k( 508) = ( 0.3783784 0.3808801 0.2965396), wk = 0.0017730 k( 509) = ( 0.3716216 0.3740786 0.2912443), wk = 0.0017730 k( 510) = ( 0.3648649 0.3672772 0.2859489), wk = 0.0017730 k( 511) = ( 0.3581081 0.3604758 0.2806536), wk = 0.0017730 k( 512) = ( 0.3513514 0.3536743 0.2753582), wk = 0.0017730 k( 513) = ( 0.3445946 0.3468729 0.2700629), wk = 0.0017730 k( 514) = ( 0.3378378 0.3400715 0.2647675), wk = 0.0017730 k( 515) = ( 0.3310811 0.3332700 0.2594722), wk = 0.0017730 k( 516) = ( 0.3243243 0.3264686 0.2541768), wk = 0.0017730 k( 517) = ( 0.3175676 0.3196672 0.2488815), wk = 0.0017730 k( 518) = ( 0.3108108 0.3128658 0.2435861), wk = 0.0017730 k( 519) = ( 0.3040541 0.3060643 0.2382908), wk = 0.0017730 k( 520) = ( 0.2972973 0.2992629 0.2329954), wk = 0.0017730 k( 521) = ( 0.2905405 0.2924615 0.2277001), wk = 0.0017730 k( 522) = ( 0.2837838 0.2856600 0.2224047), wk = 0.0017730 k( 523) = ( 0.2770270 0.2788586 0.2171094), wk = 0.0017730 k( 524) = ( 0.2702703 0.2720572 0.2118140), wk = 0.0017730 k( 525) = ( 0.2635135 0.2652557 0.2065187), wk = 0.0017730 k( 526) = ( 0.2567568 0.2584543 0.2012233), wk = 0.0017730 k( 527) = ( 0.2500000 0.2516529 0.1959280), wk = 0.0017730 k( 528) = ( 0.2432432 0.2448515 0.1906326), wk = 0.0017730 k( 529) = ( 0.2364865 0.2380500 0.1853373), wk = 0.0017730 k( 530) = ( 0.2297297 0.2312486 0.1800419), wk = 0.0017730 k( 531) = ( 0.2229730 0.2244472 0.1747466), wk = 0.0017730 k( 532) = ( 0.2162162 0.2176457 0.1694512), wk = 0.0017730 k( 533) = ( 0.2094595 0.2108443 0.1641559), wk = 0.0017730 k( 534) = ( 0.2027027 0.2040429 0.1588605), wk = 0.0017730 k( 535) = ( 0.1959460 0.1972415 0.1535652), wk = 0.0017730 k( 536) = ( 0.1891892 0.1904400 0.1482698), wk = 0.0017730 k( 537) = ( 0.1824324 0.1836386 0.1429745), wk = 0.0017730 k( 538) = ( 0.1756757 0.1768372 0.1376791), wk = 0.0017730 k( 539) = ( 0.1689189 0.1700357 0.1323838), wk = 0.0017730 k( 540) = ( 0.1621622 0.1632343 0.1270884), wk = 0.0017730 k( 541) = ( 0.1554054 0.1564329 0.1217931), wk = 0.0017730 k( 542) = ( 0.1486486 0.1496314 0.1164977), wk = 0.0017730 k( 543) = ( 0.1418919 0.1428300 0.1112024), wk = 0.0017730 k( 544) = ( 0.1351351 0.1360286 0.1059070), wk = 0.0017730 k( 545) = ( 0.1283784 0.1292272 0.1006117), wk = 0.0017730 k( 546) = ( 0.1216216 0.1224257 0.0953163), wk = 0.0017730 k( 547) = ( 0.1148649 0.1156243 0.0900210), wk = 0.0017730 k( 548) = ( 0.1081081 0.1088229 0.0847256), wk = 0.0017730 k( 549) = ( 0.1013514 0.1020214 0.0794303), wk = 0.0017730 k( 550) = ( 0.0945946 0.0952200 0.0741349), wk = 0.0017730 k( 551) = ( 0.0878378 0.0884186 0.0688396), wk = 0.0017730 k( 552) = ( 0.0810811 0.0816172 0.0635442), wk = 0.0017730 k( 553) = ( 0.0743243 0.0748157 0.0582489), wk = 0.0017730 k( 554) = ( 0.0675676 0.0680143 0.0529535), wk = 0.0017730 k( 555) = ( 0.0608108 0.0612129 0.0476582), wk = 0.0017730 k( 556) = ( 0.0540540 0.0544114 0.0423628), wk = 0.0017730 k( 557) = ( 0.0472973 0.0476100 0.0370675), wk = 0.0017730 k( 558) = ( 0.0405405 0.0408086 0.0317721), wk = 0.0017730 k( 559) = ( 0.0337838 0.0340071 0.0264767), wk = 0.0017730 k( 560) = ( 0.0270270 0.0272057 0.0211814), wk = 0.0017730 k( 561) = ( 0.0202703 0.0204043 0.0158861), wk = 0.0017730 k( 562) = ( 0.0135135 0.0136029 0.0105907), wk = 0.0017730 k( 563) = ( 0.0067568 0.0068014 0.0052954), wk = 0.0017730 k( 564) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017730 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017730 k( 2) = ( 0.0041785 0.0041785 0.0001077), wk = 0.0017730 k( 3) = ( 0.0083570 0.0083570 0.0002155), wk = 0.0017730 k( 4) = ( 0.0125355 0.0125355 0.0003233), wk = 0.0017730 k( 5) = ( 0.0167140 0.0167140 0.0004310), wk = 0.0017730 k( 6) = ( 0.0208925 0.0208925 0.0005388), wk = 0.0017730 k( 7) = ( 0.0250710 0.0250710 0.0006465), wk = 0.0017730 k( 8) = ( 0.0292495 0.0292495 0.0007543), wk = 0.0017730 k( 9) = ( 0.0334280 0.0334280 0.0008620), wk = 0.0017730 k( 10) = ( 0.0376065 0.0376065 0.0009698), wk = 0.0017730 k( 11) = ( 0.0417850 0.0417850 0.0010775), wk = 0.0017730 k( 12) = ( 0.0459635 0.0459635 0.0011853), wk = 0.0017730 k( 13) = ( 0.0501419 0.0501420 0.0012930), wk = 0.0017730 k( 14) = ( 0.0543204 0.0543204 0.0014008), wk = 0.0017730 k( 15) = ( 0.0584989 0.0584989 0.0015085), wk = 0.0017730 k( 16) = ( 0.0626774 0.0626774 0.0016163), wk = 0.0017730 k( 17) = ( 0.0668559 0.0668559 0.0017240), wk = 0.0017730 k( 18) = ( 0.0710344 0.0710344 0.0018318), wk = 0.0017730 k( 19) = ( 0.0752129 0.0752129 0.0019395), wk = 0.0017730 k( 20) = ( 0.0793914 0.0793914 0.0020473), wk = 0.0017730 k( 21) = ( 0.0835699 0.0835699 0.0021550), wk = 0.0017730 k( 22) = ( 0.0877484 0.0877484 0.0022628), wk = 0.0017730 k( 23) = ( 0.0919269 0.0919269 0.0023705), wk = 0.0017730 k( 24) = ( 0.0961054 0.0961054 0.0024783), wk = 0.0017730 k( 25) = ( 0.1002839 0.1002839 0.0025860), wk = 0.0017730 k( 26) = ( 0.1044624 0.1044624 0.0026938), wk = 0.0017730 k( 27) = ( 0.1086409 0.1086409 0.0028015), wk = 0.0017730 k( 28) = ( 0.1128194 0.1128194 0.0029093), wk = 0.0017730 k( 29) = ( 0.1169979 0.1169979 0.0030170), wk = 0.0017730 k( 30) = ( 0.1211764 0.1211764 0.0031248), wk = 0.0017730 k( 31) = ( 0.1253549 0.1253549 0.0032325), wk = 0.0017730 k( 32) = ( 0.1295334 0.1295334 0.0033403), wk = 0.0017730 k( 33) = ( 0.1337119 0.1337119 0.0034480), wk = 0.0017730 k( 34) = ( 0.1378903 0.1378904 0.0035558), wk = 0.0017730 k( 35) = ( 0.1420688 0.1420689 0.0036635), wk = 0.0017730 k( 36) = ( 0.1462473 0.1462473 0.0037713), wk = 0.0017730 k( 37) = ( 0.1504258 0.1504258 0.0038790), wk = 0.0017730 k( 38) = ( 0.1546043 0.1546043 0.0039868), wk = 0.0017730 k( 39) = ( 0.1587828 0.1587828 0.0040945), wk = 0.0017730 k( 40) = ( 0.1629613 0.1629613 0.0042023), wk = 0.0017730 k( 41) = ( 0.1671398 0.1671398 0.0043100), wk = 0.0017730 k( 42) = ( 0.1713183 0.1713183 0.0044178), wk = 0.0017730 k( 43) = ( 0.1754968 0.1754968 0.0045256), wk = 0.0017730 k( 44) = ( 0.1796753 0.1796753 0.0046333), wk = 0.0017730 k( 45) = ( 0.1838538 0.1838538 0.0047411), wk = 0.0017730 k( 46) = ( 0.1880323 0.1880323 0.0048488), wk = 0.0017730 k( 47) = ( 0.1922108 0.1922108 0.0049566), wk = 0.0017730 k( 48) = ( 0.1963893 0.1963893 0.0050643), wk = 0.0017730 k( 49) = ( 0.2005678 0.2005678 0.0051720), wk = 0.0017730 k( 50) = ( 0.2047463 0.2047463 0.0052798), wk = 0.0017730 k( 51) = ( 0.2089248 0.2089248 0.0053875), wk = 0.0017730 k( 52) = ( 0.2131033 0.2131033 0.0054953), wk = 0.0017730 k( 53) = ( 0.2172818 0.2172818 0.0056031), wk = 0.0017730 k( 54) = ( 0.2214603 0.2214603 0.0057108), wk = 0.0017730 k( 55) = ( 0.2256388 0.2256388 0.0058186), wk = 0.0017730 k( 56) = ( 0.2298173 0.2298173 0.0059263), wk = 0.0017730 k( 57) = ( 0.2339958 0.2339958 0.0060341), wk = 0.0017730 k( 58) = ( 0.2381742 0.2381742 0.0061418), wk = 0.0017730 k( 59) = ( 0.2423527 0.2423527 0.0062496), wk = 0.0017730 k( 60) = ( 0.2465312 0.2465312 0.0063573), wk = 0.0017730 k( 61) = ( 0.2507097 0.2507097 0.0064651), wk = 0.0017730 k( 62) = ( 0.2548882 0.2548882 0.0065728), wk = 0.0017730 k( 63) = ( 0.2590667 0.2590667 0.0066806), wk = 0.0017730 k( 64) = ( 0.2632452 0.2632452 0.0067883), wk = 0.0017730 k( 65) = ( 0.2674237 0.2674237 0.0068961), wk = 0.0017730 k( 66) = ( 0.2716022 0.2716022 0.0070038), wk = 0.0017730 k( 67) = ( 0.2757807 0.2757807 0.0071116), wk = 0.0017730 k( 68) = ( 0.2799592 0.2799592 0.0072193), wk = 0.0017730 k( 69) = ( 0.2841377 0.2841377 0.0073271), wk = 0.0017730 k( 70) = ( 0.2883162 0.2883162 0.0074348), wk = 0.0017730 k( 71) = ( 0.2924947 0.2924947 0.0075426), wk = 0.0017730 k( 72) = ( 0.2924947 0.2924947 0.0075426), wk = 0.0017730 k( 73) = ( 0.2927361 0.2927361 0.0202417), wk = 0.0017730 k( 74) = ( 0.2929775 0.2929775 0.0329409), wk = 0.0017730 k( 75) = ( 0.2932189 0.2932189 0.0456400), wk = 0.0017730 k( 76) = ( 0.2934603 0.2934603 0.0583391), wk = 0.0017730 k( 77) = ( 0.2937017 0.2937017 0.0710382), wk = 0.0017730 k( 78) = ( 0.2939431 0.2939431 0.0837374), wk = 0.0017730 k( 79) = ( 0.2941845 0.2941845 0.0964365), wk = 0.0017730 k( 80) = ( 0.2944259 0.2944259 0.1091357), wk = 0.0017730 k( 81) = ( 0.2946673 0.2946673 0.1218348), wk = 0.0017730 k( 82) = ( 0.2949087 0.2949087 0.1345339), wk = 0.0017730 k( 83) = ( 0.2951501 0.2951501 0.1472331), wk = 0.0017730 k( 84) = ( 0.2953915 0.2953915 0.1599322), wk = 0.0017730 k( 85) = ( 0.2956329 0.2956329 0.1726313), wk = 0.0017730 k( 86) = ( 0.2958743 0.2958743 0.1853305), wk = 0.0017730 k( 87) = ( 0.2961157 0.2961157 0.1980296), wk = 0.0017730 k( 88) = ( 0.2963571 0.2963571 0.2107287), wk = 0.0017730 k( 89) = ( 0.2965985 0.2965985 0.2234279), wk = 0.0017730 k( 90) = ( 0.2968400 0.2968400 0.2361270), wk = 0.0017730 k( 91) = ( 0.2970814 0.2970814 0.2488262), wk = 0.0017730 k( 92) = ( 0.2973228 0.2973228 0.2615253), wk = 0.0017730 k( 93) = ( 0.2975642 0.2975642 0.2742244), wk = 0.0017730 k( 94) = ( 0.2978056 0.2978056 0.2869236), wk = 0.0017730 k( 95) = ( 0.2980470 0.2980470 0.2996227), wk = 0.0017730 k( 96) = ( 0.2982884 0.2982884 0.3123218), wk = 0.0017730 k( 97) = ( 0.2985298 0.2985298 0.3250210), wk = 0.0017730 k( 98) = ( 0.2987712 0.2987712 0.3377201), wk = 0.0017730 k( 99) = ( 0.2990126 0.2990126 0.3504192), wk = 0.0017730 k( 100) = ( 0.2992540 0.2992540 0.3631184), wk = 0.0017730 k( 101) = ( 0.2994954 0.2994954 0.3758175), wk = 0.0017730 k( 102) = ( 0.2997368 0.2997368 0.3885166), wk = 0.0017730 k( 103) = ( 0.2999782 0.2999782 0.4012158), wk = 0.0017730 k( 104) = ( 0.3002196 0.3002196 0.4139149), wk = 0.0017730 k( 105) = ( 0.3004610 0.3004610 0.4266141), wk = 0.0017730 k( 106) = ( 0.3007024 0.3007024 0.4393132), wk = 0.0017730 k( 107) = ( 0.3009438 0.3009438 0.4520123), wk = 0.0017730 k( 108) = ( 0.3011852 0.3011852 0.4647115), wk = 0.0017730 k( 109) = ( 0.3011852 0.3011852 0.4647115), wk = 0.0017730 k( 110) = ( 0.2992540 0.2992540 0.4742295), wk = 0.0017730 k( 111) = ( 0.2973228 0.2973228 0.4837475), wk = 0.0017730 k( 112) = ( 0.2953915 0.2953915 0.4932655), wk = 0.0017730 k( 113) = ( 0.2934603 0.2934603 0.5027836), wk = 0.0017730 k( 114) = ( 0.2915291 0.2915291 0.5123016), wk = 0.0017730 k( 115) = ( 0.2895978 0.2895979 0.5218196), wk = 0.0017730 k( 116) = ( 0.2876666 0.2876666 0.5313376), wk = 0.0017730 k( 117) = ( 0.2857354 0.2857354 0.5408557), wk = 0.0017730 k( 118) = ( 0.2838042 0.2838042 0.5503737), wk = 0.0017730 k( 119) = ( 0.2838042 0.2838042 0.5503737), wk = 0.0017730 k( 120) = ( 0.2796306 0.2796306 0.5496329), wk = 0.0017730 k( 121) = ( 0.2754570 0.2754570 0.5488921), wk = 0.0017730 k( 122) = ( 0.2712834 0.2712834 0.5481513), wk = 0.0017730 k( 123) = ( 0.2671098 0.2671098 0.5474105), wk = 0.0017730 k( 124) = ( 0.2629362 0.2629362 0.5466697), wk = 0.0017730 k( 125) = ( 0.2587626 0.2587626 0.5459290), wk = 0.0017730 k( 126) = ( 0.2545890 0.2545890 0.5451882), wk = 0.0017730 k( 127) = ( 0.2504154 0.2504154 0.5444474), wk = 0.0017730 k( 128) = ( 0.2462419 0.2462419 0.5437066), wk = 0.0017730 k( 129) = ( 0.2420683 0.2420683 0.5429658), wk = 0.0017730 k( 130) = ( 0.2378947 0.2378947 0.5422250), wk = 0.0017730 k( 131) = ( 0.2337211 0.2337211 0.5414842), wk = 0.0017730 k( 132) = ( 0.2295475 0.2295475 0.5407434), wk = 0.0017730 k( 133) = ( 0.2253739 0.2253739 0.5400026), wk = 0.0017730 k( 134) = ( 0.2212003 0.2212003 0.5392619), wk = 0.0017730 k( 135) = ( 0.2170267 0.2170267 0.5385211), wk = 0.0017730 k( 136) = ( 0.2128531 0.2128531 0.5377803), wk = 0.0017730 k( 137) = ( 0.2086795 0.2086795 0.5370395), wk = 0.0017730 k( 138) = ( 0.2045059 0.2045059 0.5362987), wk = 0.0017730 k( 139) = ( 0.2003323 0.2003324 0.5355579), wk = 0.0017730 k( 140) = ( 0.1961588 0.1961588 0.5348171), wk = 0.0017730 k( 141) = ( 0.1919852 0.1919852 0.5340763), wk = 0.0017730 k( 142) = ( 0.1878116 0.1878116 0.5333355), wk = 0.0017730 k( 143) = ( 0.1836380 0.1836380 0.5325948), wk = 0.0017730 k( 144) = ( 0.1794644 0.1794644 0.5318540), wk = 0.0017730 k( 145) = ( 0.1752908 0.1752908 0.5311132), wk = 0.0017730 k( 146) = ( 0.1711172 0.1711172 0.5303724), wk = 0.0017730 k( 147) = ( 0.1669436 0.1669436 0.5296316), wk = 0.0017730 k( 148) = ( 0.1627700 0.1627700 0.5288908), wk = 0.0017730 k( 149) = ( 0.1585964 0.1585965 0.5281500), wk = 0.0017730 k( 150) = ( 0.1544229 0.1544229 0.5274092), wk = 0.0017730 k( 151) = ( 0.1502493 0.1502493 0.5266684), wk = 0.0017730 k( 152) = ( 0.1460757 0.1460757 0.5259276), wk = 0.0017730 k( 153) = ( 0.1419021 0.1419021 0.5251868), wk = 0.0017730 k( 154) = ( 0.1377285 0.1377285 0.5244461), wk = 0.0017730 k( 155) = ( 0.1335549 0.1335549 0.5237053), wk = 0.0017730 k( 156) = ( 0.1293813 0.1293813 0.5229645), wk = 0.0017730 k( 157) = ( 0.1252077 0.1252077 0.5222237), wk = 0.0017730 k( 158) = ( 0.1210341 0.1210341 0.5214829), wk = 0.0017730 k( 159) = ( 0.1168605 0.1168605 0.5207421), wk = 0.0017730 k( 160) = ( 0.1126869 0.1126870 0.5200013), wk = 0.0017730 k( 161) = ( 0.1085134 0.1085134 0.5192605), wk = 0.0017730 k( 162) = ( 0.1043398 0.1043398 0.5185197), wk = 0.0017730 k( 163) = ( 0.1001662 0.1001662 0.5177790), wk = 0.0017730 k( 164) = ( 0.0959926 0.0959926 0.5170382), wk = 0.0017730 k( 165) = ( 0.0918190 0.0918190 0.5162974), wk = 0.0017730 k( 166) = ( 0.0876454 0.0876454 0.5155566), wk = 0.0017730 k( 167) = ( 0.0834718 0.0834718 0.5148158), wk = 0.0017730 k( 168) = ( 0.0792982 0.0792982 0.5140750), wk = 0.0017730 k( 169) = ( 0.0751246 0.0751246 0.5133342), wk = 0.0017730 k( 170) = ( 0.0709510 0.0709510 0.5125934), wk = 0.0017730 k( 171) = ( 0.0667775 0.0667775 0.5118526), wk = 0.0017730 k( 172) = ( 0.0626039 0.0626039 0.5111119), wk = 0.0017730 k( 173) = ( 0.0584303 0.0584303 0.5103711), wk = 0.0017730 k( 174) = ( 0.0542567 0.0542567 0.5096303), wk = 0.0017730 k( 175) = ( 0.0500831 0.0500831 0.5088895), wk = 0.0017730 k( 176) = ( 0.0459095 0.0459095 0.5081487), wk = 0.0017730 k( 177) = ( 0.0417359 0.0417359 0.5074079), wk = 0.0017730 k( 178) = ( 0.0375623 0.0375623 0.5066671), wk = 0.0017730 k( 179) = ( 0.0333887 0.0333887 0.5059263), wk = 0.0017730 k( 180) = ( 0.0292151 0.0292151 0.5051855), wk = 0.0017730 k( 181) = ( 0.0250415 0.0250415 0.5044447), wk = 0.0017730 k( 182) = ( 0.0208679 0.0208680 0.5037040), wk = 0.0017730 k( 183) = ( 0.0166944 0.0166944 0.5029632), wk = 0.0017730 k( 184) = ( 0.0125208 0.0125208 0.5022224), wk = 0.0017730 k( 185) = ( 0.0083472 0.0083472 0.5014816), wk = 0.0017730 k( 186) = ( 0.0041736 0.0041736 0.5007408), wk = 0.0017730 k( 187) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017730 k( 188) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017730 k( 189) = ( 0.0102041 -0.0102041 0.5000000), wk = 0.0017730 k( 190) = ( 0.0204082 -0.0204082 0.5000000), wk = 0.0017730 k( 191) = ( 0.0306122 -0.0306122 0.5000000), wk = 0.0017730 k( 192) = ( 0.0408163 -0.0408163 0.5000000), wk = 0.0017730 k( 193) = ( 0.0510204 -0.0510204 0.5000000), wk = 0.0017730 k( 194) = ( 0.0612245 -0.0612245 0.5000000), wk = 0.0017730 k( 195) = ( 0.0714286 -0.0714286 0.5000000), wk = 0.0017730 k( 196) = ( 0.0816327 -0.0816327 0.5000000), wk = 0.0017730 k( 197) = ( 0.0918367 -0.0918367 0.5000000), wk = 0.0017730 k( 198) = ( 0.1020408 -0.1020408 0.5000000), wk = 0.0017730 k( 199) = ( 0.1122449 -0.1122449 0.5000000), wk = 0.0017730 k( 200) = ( 0.1224490 -0.1224490 0.5000000), wk = 0.0017730 k( 201) = ( 0.1326531 -0.1326531 0.5000000), wk = 0.0017730 k( 202) = ( 0.1428571 -0.1428571 0.5000000), wk = 0.0017730 k( 203) = ( 0.1530612 -0.1530612 0.5000000), wk = 0.0017730 k( 204) = ( 0.1632653 -0.1632653 0.5000000), wk = 0.0017730 k( 205) = ( 0.1734694 -0.1734694 0.5000000), wk = 0.0017730 k( 206) = ( 0.1836735 -0.1836735 0.5000000), wk = 0.0017730 k( 207) = ( 0.1938776 -0.1938775 0.5000000), wk = 0.0017730 k( 208) = ( 0.2040816 -0.2040816 0.5000000), wk = 0.0017730 k( 209) = ( 0.2142857 -0.2142857 0.5000000), wk = 0.0017730 k( 210) = ( 0.2244898 -0.2244898 0.5000000), wk = 0.0017730 k( 211) = ( 0.2346939 -0.2346939 0.5000000), wk = 0.0017730 k( 212) = ( 0.2448980 -0.2448980 0.5000000), wk = 0.0017730 k( 213) = ( 0.2551020 -0.2551020 0.5000000), wk = 0.0017730 k( 214) = ( 0.2653061 -0.2653061 0.5000000), wk = 0.0017730 k( 215) = ( 0.2755102 -0.2755102 0.5000000), wk = 0.0017730 k( 216) = ( 0.2857143 -0.2857143 0.5000000), wk = 0.0017730 k( 217) = ( 0.2959184 -0.2959184 0.5000000), wk = 0.0017730 k( 218) = ( 0.3061224 -0.3061224 0.5000000), wk = 0.0017730 k( 219) = ( 0.3163265 -0.3163265 0.5000000), wk = 0.0017730 k( 220) = ( 0.3265306 -0.3265306 0.5000000), wk = 0.0017730 k( 221) = ( 0.3367347 -0.3367347 0.5000000), wk = 0.0017730 k( 222) = ( 0.3469388 -0.3469388 0.5000000), wk = 0.0017730 k( 223) = ( 0.3571429 -0.3571429 0.5000000), wk = 0.0017730 k( 224) = ( 0.3673469 -0.3673469 0.5000000), wk = 0.0017730 k( 225) = ( 0.3775510 -0.3775510 0.5000000), wk = 0.0017730 k( 226) = ( 0.3877551 -0.3877551 0.5000000), wk = 0.0017730 k( 227) = ( 0.3979592 -0.3979592 0.5000000), wk = 0.0017730 k( 228) = ( 0.4081633 -0.4081633 0.5000000), wk = 0.0017730 k( 229) = ( 0.4183674 -0.4183674 0.5000000), wk = 0.0017730 k( 230) = ( 0.4285714 -0.4285714 0.5000000), wk = 0.0017730 k( 231) = ( 0.4387755 -0.4387755 0.5000000), wk = 0.0017730 k( 232) = ( 0.4489796 -0.4489796 0.5000000), wk = 0.0017730 k( 233) = ( 0.4591837 -0.4591837 0.5000000), wk = 0.0017730 k( 234) = ( 0.4693878 -0.4693878 0.5000000), wk = 0.0017730 k( 235) = ( 0.4795918 -0.4795918 0.5000000), wk = 0.0017730 k( 236) = ( 0.4897959 -0.4897959 0.5000000), wk = 0.0017730 k( 237) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0017730 k( 238) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0017730 k( 239) = ( 0.5042301 -0.4957699 0.5007508), wk = 0.0017730 k( 240) = ( 0.5084602 -0.4915398 0.5015016), wk = 0.0017730 k( 241) = ( 0.5126903 -0.4873097 0.5022525), wk = 0.0017730 k( 242) = ( 0.5169204 -0.4830796 0.5030033), wk = 0.0017730 k( 243) = ( 0.5211505 -0.4788495 0.5037541), wk = 0.0017730 k( 244) = ( 0.5253806 -0.4746194 0.5045049), wk = 0.0017730 k( 245) = ( 0.5296107 -0.4703893 0.5052557), wk = 0.0017730 k( 246) = ( 0.5338408 -0.4661592 0.5060066), wk = 0.0017730 k( 247) = ( 0.5380709 -0.4619291 0.5067574), wk = 0.0017730 k( 248) = ( 0.5423010 -0.4576990 0.5075082), wk = 0.0017730 k( 249) = ( 0.5465311 -0.4534689 0.5082590), wk = 0.0017730 k( 250) = ( 0.5507612 -0.4492388 0.5090098), wk = 0.0017730 k( 251) = ( 0.5549913 -0.4450087 0.5097607), wk = 0.0017730 k( 252) = ( 0.5592214 -0.4407786 0.5105115), wk = 0.0017730 k( 253) = ( 0.5634515 -0.4365485 0.5112623), wk = 0.0017730 k( 254) = ( 0.5676816 -0.4323184 0.5120131), wk = 0.0017730 k( 255) = ( 0.5719117 -0.4280883 0.5127639), wk = 0.0017730 k( 256) = ( 0.5761418 -0.4238582 0.5135148), wk = 0.0017730 k( 257) = ( 0.5803719 -0.4196281 0.5142656), wk = 0.0017730 k( 258) = ( 0.5846020 -0.4153980 0.5150164), wk = 0.0017730 k( 259) = ( 0.5888321 -0.4111679 0.5157672), wk = 0.0017730 k( 260) = ( 0.5930622 -0.4069378 0.5165180), wk = 0.0017730 k( 261) = ( 0.5972924 -0.4027076 0.5172689), wk = 0.0017730 k( 262) = ( 0.6015225 -0.3984775 0.5180197), wk = 0.0017730 k( 263) = ( 0.6057525 -0.3942474 0.5187705), wk = 0.0017730 k( 264) = ( 0.6099826 -0.3900173 0.5195213), wk = 0.0017730 k( 265) = ( 0.6142127 -0.3857872 0.5202721), wk = 0.0017730 k( 266) = ( 0.6184429 -0.3815571 0.5210230), wk = 0.0017730 k( 267) = ( 0.6226730 -0.3773270 0.5217738), wk = 0.0017730 k( 268) = ( 0.6269031 -0.3730969 0.5225246), wk = 0.0017730 k( 269) = ( 0.6311332 -0.3688668 0.5232754), wk = 0.0017730 k( 270) = ( 0.6353633 -0.3646367 0.5240263), wk = 0.0017730 k( 271) = ( 0.6395934 -0.3604066 0.5247771), wk = 0.0017730 k( 272) = ( 0.6438235 -0.3561765 0.5255279), wk = 0.0017730 k( 273) = ( 0.6480536 -0.3519464 0.5262787), wk = 0.0017730 k( 274) = ( 0.6522837 -0.3477163 0.5270295), wk = 0.0017730 k( 275) = ( 0.6565138 -0.3434862 0.5277804), wk = 0.0017730 k( 276) = ( 0.6607439 -0.3392561 0.5285312), wk = 0.0017730 k( 277) = ( 0.6649740 -0.3350260 0.5292820), wk = 0.0017730 k( 278) = ( 0.6692041 -0.3307959 0.5300328), wk = 0.0017730 k( 279) = ( 0.6734342 -0.3265658 0.5307836), wk = 0.0017730 k( 280) = ( 0.6776643 -0.3223357 0.5315344), wk = 0.0017730 k( 281) = ( 0.6818944 -0.3181056 0.5322853), wk = 0.0017730 k( 282) = ( 0.6861245 -0.3138755 0.5330361), wk = 0.0017730 k( 283) = ( 0.6903546 -0.3096454 0.5337869), wk = 0.0017730 k( 284) = ( 0.6945847 -0.3054153 0.5345377), wk = 0.0017730 k( 285) = ( 0.6988148 -0.3011852 0.5352885), wk = 0.0017730 k( 286) = ( 0.7161958 -0.2838042 0.4496263), wk = 0.0017730 k( 287) = ( 0.7159544 -0.2840456 0.4369272), wk = 0.0017730 k( 288) = ( 0.7157130 -0.2842870 0.4242280), wk = 0.0017730 k( 289) = ( 0.7154716 -0.2845284 0.4115289), wk = 0.0017730 k( 290) = ( 0.7152302 -0.2847698 0.3988298), wk = 0.0017730 k( 291) = ( 0.7149888 -0.2850112 0.3861306), wk = 0.0017730 k( 292) = ( 0.7147474 -0.2852526 0.3734315), wk = 0.0017730 k( 293) = ( 0.7145060 -0.2854940 0.3607323), wk = 0.0017730 k( 294) = ( 0.7142646 -0.2857354 0.3480332), wk = 0.0017730 k( 295) = ( 0.7140232 -0.2859768 0.3353341), wk = 0.0017730 k( 296) = ( 0.7137818 -0.2862182 0.3226349), wk = 0.0017730 k( 297) = ( 0.7135404 -0.2864596 0.3099358), wk = 0.0017730 k( 298) = ( 0.7132990 -0.2867010 0.2972367), wk = 0.0017730 k( 299) = ( 0.7130576 -0.2869424 0.2845375), wk = 0.0017730 k( 300) = ( 0.7128162 -0.2871838 0.2718384), wk = 0.0017730 k( 301) = ( 0.7125748 -0.2874252 0.2591393), wk = 0.0017730 k( 302) = ( 0.7123334 -0.2876666 0.2464401), wk = 0.0017730 k( 303) = ( 0.7120920 -0.2879080 0.2337410), wk = 0.0017730 k( 304) = ( 0.7118506 -0.2881494 0.2210419), wk = 0.0017730 k( 305) = ( 0.7116092 -0.2883908 0.2083427), wk = 0.0017730 k( 306) = ( 0.7113678 -0.2886322 0.1956436), wk = 0.0017730 k( 307) = ( 0.7111264 -0.2888736 0.1829445), wk = 0.0017730 k( 308) = ( 0.7108850 -0.2891150 0.1702453), wk = 0.0017730 k( 309) = ( 0.7106436 -0.2893564 0.1575462), wk = 0.0017730 k( 310) = ( 0.7104021 -0.2895978 0.1448471), wk = 0.0017730 k( 311) = ( 0.7101608 -0.2898392 0.1321479), wk = 0.0017730 k( 312) = ( 0.7099193 -0.2900806 0.1194488), wk = 0.0017730 k( 313) = ( 0.7096779 -0.2903221 0.1067496), wk = 0.0017730 k( 314) = ( 0.7094365 -0.2905635 0.0940505), wk = 0.0017730 k( 315) = ( 0.7091951 -0.2908049 0.0813514), wk = 0.0017730 k( 316) = ( 0.7089537 -0.2910463 0.0686522), wk = 0.0017730 k( 317) = ( 0.7087123 -0.2912877 0.0559531), wk = 0.0017730 k( 318) = ( 0.7084709 -0.2915291 0.0432540), wk = 0.0017730 k( 319) = ( 0.7082295 -0.2917705 0.0305548), wk = 0.0017730 k( 320) = ( 0.7079881 -0.2920119 0.0178557), wk = 0.0017730 k( 321) = ( 0.7077467 -0.2922533 0.0051566), wk = 0.0017730 k( 322) = ( 0.7075053 -0.2924947 -0.0075426), wk = 0.0017730 k( 323) = ( 0.7075053 -0.2924947 -0.0075426), wk = 0.0017730 k( 324) = ( 0.7033552 -0.2966448 -0.0073917), wk = 0.0017730 k( 325) = ( 0.6992051 -0.3007949 -0.0072409), wk = 0.0017730 k( 326) = ( 0.6950550 -0.3049450 -0.0070900), wk = 0.0017730 k( 327) = ( 0.6909049 -0.3090951 -0.0069392), wk = 0.0017730 k( 328) = ( 0.6867548 -0.3132452 -0.0067883), wk = 0.0017730 k( 329) = ( 0.6826047 -0.3173953 -0.0066375), wk = 0.0017730 k( 330) = ( 0.6784546 -0.3215454 -0.0064866), wk = 0.0017730 k( 331) = ( 0.6743045 -0.3256955 -0.0063358), wk = 0.0017730 k( 332) = ( 0.6701544 -0.3298456 -0.0061849), wk = 0.0017730 k( 333) = ( 0.6660042 -0.3339957 -0.0060341), wk = 0.0017730 k( 334) = ( 0.6618542 -0.3381458 -0.0058832), wk = 0.0017730 k( 335) = ( 0.6577040 -0.3422960 -0.0057324), wk = 0.0017730 k( 336) = ( 0.6535539 -0.3464461 -0.0055815), wk = 0.0017730 k( 337) = ( 0.6494038 -0.3505962 -0.0054307), wk = 0.0017730 k( 338) = ( 0.6452537 -0.3547463 -0.0052798), wk = 0.0017730 k( 339) = ( 0.6411036 -0.3588964 -0.0051290), wk = 0.0017730 k( 340) = ( 0.6369535 -0.3630465 -0.0049781), wk = 0.0017730 k( 341) = ( 0.6328034 -0.3671966 -0.0048273), wk = 0.0017730 k( 342) = ( 0.6286533 -0.3713467 -0.0046764), wk = 0.0017730 k( 343) = ( 0.6245032 -0.3754968 -0.0045256), wk = 0.0017730 k( 344) = ( 0.6203531 -0.3796469 -0.0043747), wk = 0.0017730 k( 345) = ( 0.6162030 -0.3837970 -0.0042238), wk = 0.0017730 k( 346) = ( 0.6120529 -0.3879471 -0.0040730), wk = 0.0017730 k( 347) = ( 0.6079028 -0.3920972 -0.0039221), wk = 0.0017730 k( 348) = ( 0.6037527 -0.3962473 -0.0037713), wk = 0.0017730 k( 349) = ( 0.5996025 -0.4003974 -0.0036204), wk = 0.0017730 k( 350) = ( 0.5954524 -0.4045476 -0.0034696), wk = 0.0017730 k( 351) = ( 0.5913023 -0.4086977 -0.0033187), wk = 0.0017730 k( 352) = ( 0.5871522 -0.4128478 -0.0031679), wk = 0.0017730 k( 353) = ( 0.5830021 -0.4169979 -0.0030170), wk = 0.0017730 k( 354) = ( 0.5788520 -0.4211480 -0.0028662), wk = 0.0017730 k( 355) = ( 0.5747019 -0.4252981 -0.0027153), wk = 0.0017730 k( 356) = ( 0.5705518 -0.4294482 -0.0025645), wk = 0.0017730 k( 357) = ( 0.5664017 -0.4335983 -0.0024136), wk = 0.0017730 k( 358) = ( 0.5622516 -0.4377484 -0.0022628), wk = 0.0017730 k( 359) = ( 0.5581015 -0.4418985 -0.0021119), wk = 0.0017730 k( 360) = ( 0.5539514 -0.4460486 -0.0019611), wk = 0.0017730 k( 361) = ( 0.5498013 -0.4501987 -0.0018102), wk = 0.0017730 k( 362) = ( 0.5456512 -0.4543488 -0.0016594), wk = 0.0017730 k( 363) = ( 0.5415011 -0.4584989 -0.0015085), wk = 0.0017730 k( 364) = ( 0.5373510 -0.4626490 -0.0013577), wk = 0.0017730 k( 365) = ( 0.5332008 -0.4667991 -0.0012068), wk = 0.0017730 k( 366) = ( 0.5290507 -0.4709493 -0.0010560), wk = 0.0017730 k( 367) = ( 0.5249006 -0.4750994 -0.0009051), wk = 0.0017730 k( 368) = ( 0.5207505 -0.4792495 -0.0007543), wk = 0.0017730 k( 369) = ( 0.5166004 -0.4833996 -0.0006034), wk = 0.0017730 k( 370) = ( 0.5124503 -0.4875497 -0.0004526), wk = 0.0017730 k( 371) = ( 0.5083002 -0.4916998 -0.0003017), wk = 0.0017730 k( 372) = ( 0.5041501 -0.4958499 -0.0001509), wk = 0.0017730 k( 373) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0017730 k( 374) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0017730 k( 375) = ( 0.4897959 -0.4897959 -0.0000000), wk = 0.0017730 k( 376) = ( 0.4795918 -0.4795918 -0.0000000), wk = 0.0017730 k( 377) = ( 0.4693878 -0.4693878 -0.0000000), wk = 0.0017730 k( 378) = ( 0.4591837 -0.4591837 -0.0000000), wk = 0.0017730 k( 379) = ( 0.4489796 -0.4489796 -0.0000000), wk = 0.0017730 k( 380) = ( 0.4387755 -0.4387755 -0.0000000), wk = 0.0017730 k( 381) = ( 0.4285714 -0.4285714 -0.0000000), wk = 0.0017730 k( 382) = ( 0.4183674 -0.4183674 -0.0000000), wk = 0.0017730 k( 383) = ( 0.4081633 -0.4081633 -0.0000000), wk = 0.0017730 k( 384) = ( 0.3979592 -0.3979592 -0.0000000), wk = 0.0017730 k( 385) = ( 0.3877551 -0.3877551 0.0000000), wk = 0.0017730 k( 386) = ( 0.3775510 -0.3775510 -0.0000000), wk = 0.0017730 k( 387) = ( 0.3673469 -0.3673469 -0.0000000), wk = 0.0017730 k( 388) = ( 0.3571429 -0.3571429 -0.0000000), wk = 0.0017730 k( 389) = ( 0.3469388 -0.3469388 -0.0000000), wk = 0.0017730 k( 390) = ( 0.3367347 -0.3367347 -0.0000000), wk = 0.0017730 k( 391) = ( 0.3265306 -0.3265306 -0.0000000), wk = 0.0017730 k( 392) = ( 0.3163265 -0.3163265 -0.0000000), wk = 0.0017730 k( 393) = ( 0.3061224 -0.3061224 -0.0000000), wk = 0.0017730 k( 394) = ( 0.2959184 -0.2959184 -0.0000000), wk = 0.0017730 k( 395) = ( 0.2857143 -0.2857143 -0.0000000), wk = 0.0017730 k( 396) = ( 0.2755102 -0.2755102 -0.0000000), wk = 0.0017730 k( 397) = ( 0.2653061 -0.2653061 -0.0000000), wk = 0.0017730 k( 398) = ( 0.2551020 -0.2551020 -0.0000000), wk = 0.0017730 k( 399) = ( 0.2448980 -0.2448980 -0.0000000), wk = 0.0017730 k( 400) = ( 0.2346939 -0.2346939 -0.0000000), wk = 0.0017730 k( 401) = ( 0.2244898 -0.2244898 -0.0000000), wk = 0.0017730 k( 402) = ( 0.2142857 -0.2142857 -0.0000000), wk = 0.0017730 k( 403) = ( 0.2040816 -0.2040816 -0.0000000), wk = 0.0017730 k( 404) = ( 0.1938776 -0.1938775 0.0000000), wk = 0.0017730 k( 405) = ( 0.1836735 -0.1836735 -0.0000000), wk = 0.0017730 k( 406) = ( 0.1734694 -0.1734694 -0.0000000), wk = 0.0017730 k( 407) = ( 0.1632653 -0.1632653 -0.0000000), wk = 0.0017730 k( 408) = ( 0.1530612 -0.1530612 -0.0000000), wk = 0.0017730 k( 409) = ( 0.1428571 -0.1428571 -0.0000000), wk = 0.0017730 k( 410) = ( 0.1326531 -0.1326531 -0.0000000), wk = 0.0017730 k( 411) = ( 0.1224490 -0.1224490 -0.0000000), wk = 0.0017730 k( 412) = ( 0.1122449 -0.1122449 -0.0000000), wk = 0.0017730 k( 413) = ( 0.1020408 -0.1020408 -0.0000000), wk = 0.0017730 k( 414) = ( 0.0918367 -0.0918367 -0.0000000), wk = 0.0017730 k( 415) = ( 0.0816327 -0.0816327 -0.0000000), wk = 0.0017730 k( 416) = ( 0.0714286 -0.0714286 -0.0000000), wk = 0.0017730 k( 417) = ( 0.0612245 -0.0612245 -0.0000000), wk = 0.0017730 k( 418) = ( 0.0510204 -0.0510204 -0.0000000), wk = 0.0017730 k( 419) = ( 0.0408163 -0.0408163 -0.0000000), wk = 0.0017730 k( 420) = ( 0.0306122 -0.0306122 -0.0000000), wk = 0.0017730 k( 421) = ( 0.0204082 -0.0204082 -0.0000000), wk = 0.0017730 k( 422) = ( 0.0102041 -0.0102041 -0.0000000), wk = 0.0017730 k( 423) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017730 k( 424) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017730 k( 425) = ( 0.0076923 0.0000000 -0.0000000), wk = 0.0017730 k( 426) = ( 0.0153846 0.0000000 -0.0000000), wk = 0.0017730 k( 427) = ( 0.0230769 0.0000000 0.0000000), wk = 0.0017730 k( 428) = ( 0.0307692 0.0000000 -0.0000000), wk = 0.0017730 k( 429) = ( 0.0384615 0.0000000 -0.0000000), wk = 0.0017730 k( 430) = ( 0.0461539 0.0000000 -0.0000000), wk = 0.0017730 k( 431) = ( 0.0538462 0.0000000 -0.0000000), wk = 0.0017730 k( 432) = ( 0.0615385 0.0000000 -0.0000000), wk = 0.0017730 k( 433) = ( 0.0692308 0.0000000 0.0000000), wk = 0.0017730 k( 434) = ( 0.0769231 0.0000000 -0.0000000), wk = 0.0017730 k( 435) = ( 0.0846154 0.0000000 0.0000000), wk = 0.0017730 k( 436) = ( 0.0923077 0.0000000 -0.0000000), wk = 0.0017730 k( 437) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0017730 k( 438) = ( 0.1076923 0.0000000 -0.0000000), wk = 0.0017730 k( 439) = ( 0.1153846 0.0000000 -0.0000000), wk = 0.0017730 k( 440) = ( 0.1230769 0.0000000 -0.0000000), wk = 0.0017730 k( 441) = ( 0.1307692 0.0000000 -0.0000000), wk = 0.0017730 k( 442) = ( 0.1384615 0.0000000 0.0000000), wk = 0.0017730 k( 443) = ( 0.1461539 0.0000000 -0.0000000), wk = 0.0017730 k( 444) = ( 0.1538461 0.0000000 -0.0000000), wk = 0.0017730 k( 445) = ( 0.1615385 0.0000000 -0.0000000), wk = 0.0017730 k( 446) = ( 0.1692308 0.0000000 0.0000000), wk = 0.0017730 k( 447) = ( 0.1769231 0.0000000 -0.0000000), wk = 0.0017730 k( 448) = ( 0.1846154 0.0000000 -0.0000000), wk = 0.0017730 k( 449) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0017730 k( 450) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0017730 k( 451) = ( 0.2076923 0.0000000 -0.0000000), wk = 0.0017730 k( 452) = ( 0.2153846 0.0000000 -0.0000000), wk = 0.0017730 k( 453) = ( 0.2230769 0.0000000 -0.0000000), wk = 0.0017730 k( 454) = ( 0.2307692 0.0000000 -0.0000000), wk = 0.0017730 k( 455) = ( 0.2384615 0.0000000 0.0000000), wk = 0.0017730 k( 456) = ( 0.2461539 0.0000000 -0.0000000), wk = 0.0017730 k( 457) = ( 0.2538461 0.0000000 0.0000000), wk = 0.0017730 k( 458) = ( 0.2615385 0.0000000 -0.0000000), wk = 0.0017730 k( 459) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0017730 k( 460) = ( 0.2769231 0.0000000 0.0000000), wk = 0.0017730 k( 461) = ( 0.2846154 0.0000000 0.0000000), wk = 0.0017730 k( 462) = ( 0.2923077 0.0000000 -0.0000000), wk = 0.0017730 k( 463) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0017730 k( 464) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0017730 k( 465) = ( 0.3153846 0.0000000 -0.0000000), wk = 0.0017730 k( 466) = ( 0.3230769 0.0000000 -0.0000000), wk = 0.0017730 k( 467) = ( 0.3307692 0.0000000 -0.0000000), wk = 0.0017730 k( 468) = ( 0.3384615 0.0000000 0.0000000), wk = 0.0017730 k( 469) = ( 0.3461538 0.0000000 -0.0000000), wk = 0.0017730 k( 470) = ( 0.3538462 0.0000000 -0.0000000), wk = 0.0017730 k( 471) = ( 0.3615385 0.0000000 -0.0000000), wk = 0.0017730 k( 472) = ( 0.3692308 0.0000000 -0.0000000), wk = 0.0017730 k( 473) = ( 0.3769231 0.0000000 0.0000000), wk = 0.0017730 k( 474) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0017730 k( 475) = ( 0.3923077 0.0000000 -0.0000000), wk = 0.0017730 k( 476) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0017730 k( 477) = ( 0.4076923 0.0000000 -0.0000000), wk = 0.0017730 k( 478) = ( 0.4153846 0.0000000 -0.0000000), wk = 0.0017730 k( 479) = ( 0.4230769 0.0000000 -0.0000000), wk = 0.0017730 k( 480) = ( 0.4307692 0.0000000 -0.0000000), wk = 0.0017730 k( 481) = ( 0.4384615 0.0000000 -0.0000000), wk = 0.0017730 k( 482) = ( 0.4461539 0.0000000 -0.0000000), wk = 0.0017730 k( 483) = ( 0.4538462 0.0000000 -0.0000000), wk = 0.0017730 k( 484) = ( 0.4615385 0.0000000 -0.0000000), wk = 0.0017730 k( 485) = ( 0.4692308 0.0000000 0.0000000), wk = 0.0017730 k( 486) = ( 0.4769231 0.0000000 0.0000000), wk = 0.0017730 k( 487) = ( 0.4846154 0.0000000 0.0000000), wk = 0.0017730 k( 488) = ( 0.4923077 0.0000000 -0.0000000), wk = 0.0017730 k( 489) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0017730 k( 490) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0017730 k( 491) = ( 0.4932432 0.0000000 0.4932432), wk = 0.0017730 k( 492) = ( 0.4864865 0.0000000 0.4864865), wk = 0.0017730 k( 493) = ( 0.4797297 0.0000000 0.4797297), wk = 0.0017730 k( 494) = ( 0.4729730 0.0000000 0.4729730), wk = 0.0017730 k( 495) = ( 0.4662162 0.0000000 0.4662162), wk = 0.0017730 k( 496) = ( 0.4594595 0.0000000 0.4594595), wk = 0.0017730 k( 497) = ( 0.4527027 0.0000000 0.4527027), wk = 0.0017730 k( 498) = ( 0.4459459 0.0000000 0.4459460), wk = 0.0017730 k( 499) = ( 0.4391892 0.0000000 0.4391892), wk = 0.0017730 k( 500) = ( 0.4324324 0.0000000 0.4324324), wk = 0.0017730 k( 501) = ( 0.4256757 0.0000000 0.4256757), wk = 0.0017730 k( 502) = ( 0.4189189 0.0000000 0.4189189), wk = 0.0017730 k( 503) = ( 0.4121622 0.0000000 0.4121622), wk = 0.0017730 k( 504) = ( 0.4054054 0.0000000 0.4054054), wk = 0.0017730 k( 505) = ( 0.3986486 0.0000000 0.3986487), wk = 0.0017730 k( 506) = ( 0.3918919 0.0000000 0.3918919), wk = 0.0017730 k( 507) = ( 0.3851351 0.0000000 0.3851351), wk = 0.0017730 k( 508) = ( 0.3783784 0.0000000 0.3783784), wk = 0.0017730 k( 509) = ( 0.3716216 0.0000000 0.3716216), wk = 0.0017730 k( 510) = ( 0.3648649 0.0000000 0.3648649), wk = 0.0017730 k( 511) = ( 0.3581081 0.0000000 0.3581081), wk = 0.0017730 k( 512) = ( 0.3513514 0.0000000 0.3513514), wk = 0.0017730 k( 513) = ( 0.3445946 0.0000000 0.3445946), wk = 0.0017730 k( 514) = ( 0.3378378 0.0000000 0.3378378), wk = 0.0017730 k( 515) = ( 0.3310811 0.0000000 0.3310811), wk = 0.0017730 k( 516) = ( 0.3243243 0.0000000 0.3243243), wk = 0.0017730 k( 517) = ( 0.3175676 0.0000000 0.3175676), wk = 0.0017730 k( 518) = ( 0.3108108 0.0000000 0.3108108), wk = 0.0017730 k( 519) = ( 0.3040541 0.0000000 0.3040541), wk = 0.0017730 k( 520) = ( 0.2972973 0.0000000 0.2972973), wk = 0.0017730 k( 521) = ( 0.2905405 0.0000000 0.2905405), wk = 0.0017730 k( 522) = ( 0.2837838 0.0000000 0.2837838), wk = 0.0017730 k( 523) = ( 0.2770270 0.0000000 0.2770270), wk = 0.0017730 k( 524) = ( 0.2702703 0.0000000 0.2702703), wk = 0.0017730 k( 525) = ( 0.2635135 0.0000000 0.2635135), wk = 0.0017730 k( 526) = ( 0.2567568 0.0000000 0.2567568), wk = 0.0017730 k( 527) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0017730 k( 528) = ( 0.2432432 0.0000000 0.2432432), wk = 0.0017730 k( 529) = ( 0.2364865 0.0000000 0.2364865), wk = 0.0017730 k( 530) = ( 0.2297297 0.0000000 0.2297297), wk = 0.0017730 k( 531) = ( 0.2229730 0.0000000 0.2229730), wk = 0.0017730 k( 532) = ( 0.2162162 0.0000000 0.2162162), wk = 0.0017730 k( 533) = ( 0.2094595 0.0000000 0.2094595), wk = 0.0017730 k( 534) = ( 0.2027027 0.0000000 0.2027027), wk = 0.0017730 k( 535) = ( 0.1959460 0.0000000 0.1959460), wk = 0.0017730 k( 536) = ( 0.1891892 0.0000000 0.1891892), wk = 0.0017730 k( 537) = ( 0.1824324 0.0000000 0.1824324), wk = 0.0017730 k( 538) = ( 0.1756757 0.0000000 0.1756757), wk = 0.0017730 k( 539) = ( 0.1689189 0.0000000 0.1689189), wk = 0.0017730 k( 540) = ( 0.1621622 0.0000000 0.1621622), wk = 0.0017730 k( 541) = ( 0.1554054 0.0000000 0.1554054), wk = 0.0017730 k( 542) = ( 0.1486486 0.0000000 0.1486486), wk = 0.0017730 k( 543) = ( 0.1418919 0.0000000 0.1418919), wk = 0.0017730 k( 544) = ( 0.1351351 0.0000000 0.1351351), wk = 0.0017730 k( 545) = ( 0.1283784 0.0000000 0.1283784), wk = 0.0017730 k( 546) = ( 0.1216216 0.0000000 0.1216216), wk = 0.0017730 k( 547) = ( 0.1148649 0.0000000 0.1148649), wk = 0.0017730 k( 548) = ( 0.1081081 0.0000000 0.1081081), wk = 0.0017730 k( 549) = ( 0.1013514 0.0000000 0.1013514), wk = 0.0017730 k( 550) = ( 0.0945946 0.0000000 0.0945946), wk = 0.0017730 k( 551) = ( 0.0878378 0.0000000 0.0878378), wk = 0.0017730 k( 552) = ( 0.0810811 0.0000000 0.0810811), wk = 0.0017730 k( 553) = ( 0.0743243 0.0000000 0.0743243), wk = 0.0017730 k( 554) = ( 0.0675676 0.0000000 0.0675676), wk = 0.0017730 k( 555) = ( 0.0608108 0.0000000 0.0608108), wk = 0.0017730 k( 556) = ( 0.0540540 0.0000000 0.0540541), wk = 0.0017730 k( 557) = ( 0.0472973 0.0000000 0.0472973), wk = 0.0017730 k( 558) = ( 0.0405405 0.0000000 0.0405405), wk = 0.0017730 k( 559) = ( 0.0337838 0.0000000 0.0337838), wk = 0.0017730 k( 560) = ( 0.0270270 0.0000000 0.0270270), wk = 0.0017730 k( 561) = ( 0.0202703 0.0000000 0.0202703), wk = 0.0017730 k( 562) = ( 0.0135135 0.0000000 0.0135135), wk = 0.0017730 k( 563) = ( 0.0067568 0.0000000 0.0067568), wk = 0.0017730 k( 564) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017730 Dense grid: 5095 G-vectors FFT dimensions: ( 24, 24, 27) Smooth grid: 3491 G-vectors FFT dimensions: ( 24, 24, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 24, 20) NL pseudopotentials 0.01 Mb ( 12, 28) Each V/rho on FFT grid 0.01 Mb ( 576) Each G-vector array 0.00 Mb ( 142) G-vector shells 0.00 Mb ( 119) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.03 Mb ( 24, 80) Each subspace H/S matrix 0.01 Mb ( 20, 20) Each matrix 0.02 Mb ( 28, 2, 20) The potential is recalculated from file : ./Se.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 1.9 secs Computing kpt #: 3 total cpu time spent up to now is 2.0 secs Computing kpt #: 4 total cpu time spent up to now is 2.1 secs Computing kpt #: 5 total cpu time spent up to now is 2.2 secs Computing kpt #: 6 total cpu time spent up to now is 2.4 secs Computing kpt #: 7 total cpu time spent up to now is 2.5 secs Computing kpt #: 8 total cpu time spent up to now is 2.6 secs Computing kpt #: 9 total cpu time spent up to now is 2.7 secs Computing kpt #: 10 total cpu time spent up to now is 2.9 secs Computing kpt #: 11 total cpu time spent up to now is 3.0 secs Computing kpt #: 12 total cpu time spent up to now is 3.1 secs Computing kpt #: 13 total cpu time spent up to now is 3.2 secs Computing kpt #: 14 total cpu time spent up to now is 3.3 secs Computing kpt #: 15 total cpu time spent up to now is 3.4 secs Computing kpt #: 16 total cpu time spent up to now is 3.5 secs Computing kpt #: 17 total cpu time spent up to now is 3.6 secs Computing kpt #: 18 total cpu time spent up to now is 3.7 secs Computing kpt #: 19 total cpu time spent up to now is 3.9 secs Computing kpt #: 20 total cpu time spent up to now is 4.0 secs Computing kpt #: 21 total cpu time spent up to now is 4.1 secs Computing kpt #: 22 total cpu time spent up to now is 4.2 secs Computing kpt #: 23 total cpu time spent up to now is 4.3 secs Computing kpt #: 24 total cpu time spent up to now is 4.4 secs Computing kpt #: 25 total cpu time spent up to now is 4.5 secs Computing kpt #: 26 total cpu time spent up to now is 4.6 secs Computing kpt #: 27 total cpu time spent up to now is 4.7 secs Computing kpt #: 28 total cpu time spent up to now is 4.8 secs Computing kpt #: 29 total cpu time spent up to now is 4.9 secs Computing kpt #: 30 total cpu time spent up to now is 5.0 secs Computing kpt #: 31 total cpu time spent up to now is 5.2 secs Computing kpt #: 32 total cpu time spent up to now is 5.3 secs Computing kpt #: 33 total cpu time spent up to now is 5.4 secs Computing kpt #: 34 total cpu time spent up to now is 5.5 secs Computing kpt #: 35 total cpu time spent up to now is 5.6 secs Computing kpt #: 36 total cpu time spent up to now is 5.7 secs Computing kpt #: 37 total cpu time spent up to now is 5.8 secs Computing kpt #: 38 total cpu time spent up to now is 5.9 secs Computing kpt #: 39 total cpu time spent up to now is 6.1 secs Computing kpt #: 40 total cpu time spent up to now is 6.2 secs Computing kpt #: 41 total cpu time spent up to now is 6.3 secs Computing kpt #: 42 total cpu time spent up to now is 6.4 secs Computing kpt #: 43 total cpu time spent up to now is 6.5 secs Computing kpt #: 44 total cpu time spent up to now is 6.6 secs Computing kpt #: 45 total cpu time spent up to now is 6.7 secs Computing kpt #: 46 total cpu time spent up to now is 6.8 secs Computing kpt #: 47 total cpu time spent up to now is 6.9 secs Computing kpt #: 48 total cpu time spent up to now is 7.1 secs Computing kpt #: 49 total cpu time spent up to now is 7.2 secs Computing kpt #: 50 total cpu time spent up to now is 7.3 secs Computing kpt #: 51 total cpu time spent up to now is 7.4 secs Computing kpt #: 52 total cpu time spent up to now is 7.5 secs Computing kpt #: 53 total cpu time spent up to now is 7.6 secs Computing kpt #: 54 total cpu time spent up to now is 7.7 secs Computing kpt #: 55 total cpu time spent up to now is 7.8 secs Computing kpt #: 56 total cpu time spent up to now is 7.9 secs Computing kpt #: 57 total cpu time spent up to now is 8.1 secs Computing kpt #: 58 total cpu time spent up to now is 8.1 secs Computing kpt #: 59 total cpu time spent up to now is 8.2 secs Computing kpt #: 60 total cpu time spent up to now is 8.3 secs Computing kpt #: 61 total cpu time spent up to now is 8.4 secs Computing kpt #: 62 total cpu time spent up to now is 8.5 secs Computing kpt #: 63 total cpu time spent up to now is 8.6 secs Computing kpt #: 64 total cpu time spent up to now is 8.7 secs Computing kpt #: 65 total cpu time spent up to now is 8.8 secs Computing kpt #: 66 total cpu time spent up to now is 8.9 secs Computing kpt #: 67 total cpu time spent up to now is 9.0 secs Computing kpt #: 68 total cpu time spent up to now is 9.1 secs Computing kpt #: 69 total cpu time spent up to now is 9.2 secs Computing kpt #: 70 total cpu time spent up to now is 9.3 secs Computing kpt #: 71 total cpu time spent up to now is 9.4 secs Computing kpt #: 72 total cpu time spent up to now is 9.5 secs Computing kpt #: 73 total cpu time spent up to now is 9.6 secs Computing kpt #: 74 total cpu time spent up to now is 9.7 secs Computing kpt #: 75 total cpu time spent up to now is 9.7 secs Computing kpt #: 76 total cpu time spent up to now is 9.8 secs Computing kpt #: 77 total cpu time spent up to now is 9.9 secs Computing kpt #: 78 total cpu time spent up to now is 10.0 secs Computing kpt #: 79 total cpu time spent up to now is 10.1 secs Computing kpt #: 80 total cpu time spent up to now is 10.2 secs Computing kpt #: 81 total cpu time spent up to now is 10.3 secs Computing kpt #: 82 total cpu time spent up to now is 10.4 secs Computing kpt #: 83 total cpu time spent up to now is 10.5 secs Computing kpt #: 84 total cpu time spent up to now is 10.6 secs Computing kpt #: 85 total cpu time spent up to now is 10.7 secs Computing kpt #: 86 total cpu time spent up to now is 10.8 secs Computing kpt #: 87 total cpu time spent up to now is 10.9 secs Computing kpt #: 88 total cpu time spent up to now is 10.9 secs Computing kpt #: 89 total cpu time spent up to now is 11.0 secs Computing kpt #: 90 total cpu time spent up to now is 11.1 secs Computing kpt #: 91 total cpu time spent up to now is 11.2 secs Computing kpt #: 92 total cpu time spent up to now is 11.3 secs Computing kpt #: 93 total cpu time spent up to now is 11.4 secs Computing kpt #: 94 total cpu time spent up to now is 11.5 secs Computing kpt #: 95 total cpu time spent up to now is 11.6 secs Computing kpt #: 96 total cpu time spent up to now is 11.7 secs Computing kpt #: 97 total cpu time spent up to now is 11.8 secs Computing kpt #: 98 total cpu time spent up to now is 11.9 secs Computing kpt #: 99 total cpu time spent up to now is 12.0 secs Computing kpt #: 100 total cpu time spent up to now is 12.1 secs Computing kpt #: 101 total cpu time spent up to now is 12.2 secs Computing kpt #: 102 total cpu time spent up to now is 12.3 secs Computing kpt #: 103 total cpu time spent up to now is 12.4 secs Computing kpt #: 104 total cpu time spent up to now is 12.4 secs Computing kpt #: 105 total cpu time spent up to now is 12.5 secs Computing kpt #: 106 total cpu time spent up to now is 12.6 secs Computing kpt #: 107 total cpu time spent up to now is 12.7 secs Computing kpt #: 108 total cpu time spent up to now is 12.8 secs Computing kpt #: 109 total cpu time spent up to now is 12.9 secs Computing kpt #: 110 total cpu time spent up to now is 13.0 secs Computing kpt #: 111 total cpu time spent up to now is 13.1 secs Computing kpt #: 112 total cpu time spent up to now is 13.2 secs Computing kpt #: 113 total cpu time spent up to now is 13.2 secs Computing kpt #: 114 total cpu time spent up to now is 13.3 secs Computing kpt #: 115 total cpu time spent up to now is 13.4 secs Computing kpt #: 116 total cpu time spent up to now is 13.5 secs Computing kpt #: 117 total cpu time spent up to now is 13.6 secs Computing kpt #: 118 total cpu time spent up to now is 13.7 secs Computing kpt #: 119 total cpu time spent up to now is 13.8 secs Computing kpt #: 120 total cpu time spent up to now is 13.9 secs Computing kpt #: 121 total cpu time spent up to now is 13.9 secs Computing kpt #: 122 total cpu time spent up to now is 14.0 secs Computing kpt #: 123 total cpu time spent up to now is 14.1 secs Computing kpt #: 124 total cpu time spent up to now is 14.2 secs Computing kpt #: 125 total cpu time spent up to now is 14.3 secs Computing kpt #: 126 total cpu time spent up to now is 14.4 secs Computing kpt #: 127 total cpu time spent up to now is 14.5 secs Computing kpt #: 128 total cpu time spent up to now is 14.6 secs Computing kpt #: 129 total cpu time spent up to now is 14.6 secs Computing kpt #: 130 total cpu time spent up to now is 14.7 secs Computing kpt #: 131 total cpu time spent up to now is 14.8 secs Computing kpt #: 132 total cpu time spent up to now is 14.9 secs Computing kpt #: 133 total cpu time spent up to now is 15.0 secs Computing kpt #: 134 total cpu time spent up to now is 15.1 secs Computing kpt #: 135 total cpu time spent up to now is 15.2 secs Computing kpt #: 136 total cpu time spent up to now is 15.3 secs Computing kpt #: 137 total cpu time spent up to now is 15.3 secs Computing kpt #: 138 total cpu time spent up to now is 15.4 secs Computing kpt #: 139 total cpu time spent up to now is 15.5 secs Computing kpt #: 140 total cpu time spent up to now is 15.6 secs Computing kpt #: 141 total cpu time spent up to now is 15.7 secs Computing kpt #: 142 total cpu time spent up to now is 15.8 secs Computing kpt #: 143 total cpu time spent up to now is 15.9 secs Computing kpt #: 144 total cpu time spent up to now is 15.9 secs Computing kpt #: 145 total cpu time spent up to now is 16.0 secs Computing kpt #: 146 total cpu time spent up to now is 16.1 secs Computing kpt #: 147 total cpu time spent up to now is 16.2 secs Computing kpt #: 148 total cpu time spent up to now is 16.3 secs Computing kpt #: 149 total cpu time spent up to now is 16.4 secs Computing kpt #: 150 total cpu time spent up to now is 16.5 secs Computing kpt #: 151 total cpu time spent up to now is 16.6 secs Computing kpt #: 152 total cpu time spent up to now is 16.7 secs Computing kpt #: 153 total cpu time spent up to now is 16.8 secs Computing kpt #: 154 total cpu time spent up to now is 16.9 secs Computing kpt #: 155 total cpu time spent up to now is 17.0 secs Computing kpt #: 156 total cpu time spent up to now is 17.1 secs Computing kpt #: 157 total cpu time spent up to now is 17.2 secs Computing kpt #: 158 total cpu time spent up to now is 17.2 secs Computing kpt #: 159 total cpu time spent up to now is 17.3 secs Computing kpt #: 160 total cpu time spent up to now is 17.4 secs Computing kpt #: 161 total cpu time spent up to now is 17.5 secs Computing kpt #: 162 total cpu time spent up to now is 17.6 secs Computing kpt #: 163 total cpu time spent up to now is 17.7 secs Computing kpt #: 164 total cpu time spent up to now is 17.8 secs Computing kpt #: 165 total cpu time spent up to now is 17.9 secs Computing kpt #: 166 total cpu time spent up to now is 18.0 secs Computing kpt #: 167 total cpu time spent up to now is 18.1 secs Computing kpt #: 168 total cpu time spent up to now is 18.2 secs Computing kpt #: 169 total cpu time spent up to now is 18.3 secs Computing kpt #: 170 total cpu time spent up to now is 18.5 secs Computing kpt #: 171 total cpu time spent up to now is 18.5 secs Computing kpt #: 172 total cpu time spent up to now is 19.0 secs Computing kpt #: 173 total cpu time spent up to now is 19.1 secs Computing kpt #: 174 total cpu time spent up to now is 19.2 secs Computing kpt #: 175 total cpu time spent up to now is 19.3 secs Computing kpt #: 176 total cpu time spent up to now is 19.4 secs Computing kpt #: 177 total cpu time spent up to now is 19.5 secs Computing kpt #: 178 total cpu time spent up to now is 19.6 secs Computing kpt #: 179 total cpu time spent up to now is 19.7 secs Computing kpt #: 180 total cpu time spent up to now is 19.7 secs Computing kpt #: 181 total cpu time spent up to now is 19.8 secs Computing kpt #: 182 total cpu time spent up to now is 19.9 secs Computing kpt #: 183 total cpu time spent up to now is 20.0 secs Computing kpt #: 184 total cpu time spent up to now is 20.1 secs Computing kpt #: 185 total cpu time spent up to now is 20.2 secs Computing kpt #: 186 total cpu time spent up to now is 20.3 secs Computing kpt #: 187 total cpu time spent up to now is 20.4 secs Computing kpt #: 188 total cpu time spent up to now is 20.5 secs Computing kpt #: 189 total cpu time spent up to now is 20.6 secs Computing kpt #: 190 total cpu time spent up to now is 20.7 secs Computing kpt #: 191 total cpu time spent up to now is 20.8 secs Computing kpt #: 192 total cpu time spent up to now is 20.9 secs Computing kpt #: 193 total cpu time spent up to now is 21.0 secs Computing kpt #: 194 total cpu time spent up to now is 21.1 secs Computing kpt #: 195 total cpu time spent up to now is 21.2 secs Computing kpt #: 196 total cpu time spent up to now is 21.2 secs Computing kpt #: 197 total cpu time spent up to now is 21.3 secs Computing kpt #: 198 total cpu time spent up to now is 21.4 secs Computing kpt #: 199 total cpu time spent up to now is 21.5 secs Computing kpt #: 200 total cpu time spent up to now is 21.6 secs Computing kpt #: 201 total cpu time spent up to now is 21.7 secs Computing kpt #: 202 total cpu time spent up to now is 21.8 secs Computing kpt #: 203 total cpu time spent up to now is 21.9 secs Computing kpt #: 204 total cpu time spent up to now is 22.0 secs Computing kpt #: 205 total cpu time spent up to now is 22.2 secs Computing kpt #: 206 total cpu time spent up to now is 22.3 secs Computing kpt #: 207 total cpu time spent up to now is 22.4 secs Computing kpt #: 208 total cpu time spent up to now is 22.5 secs Computing kpt #: 209 total cpu time spent up to now is 22.6 secs Computing kpt #: 210 total cpu time spent up to now is 22.7 secs Computing kpt #: 211 total cpu time spent up to now is 22.9 secs Computing kpt #: 212 total cpu time spent up to now is 23.0 secs Computing kpt #: 213 total cpu time spent up to now is 23.1 secs Computing kpt #: 214 total cpu time spent up to now is 23.3 secs Computing kpt #: 215 total cpu time spent up to now is 23.4 secs Computing kpt #: 216 total cpu time spent up to now is 23.5 secs Computing kpt #: 217 total cpu time spent up to now is 23.6 secs Computing kpt #: 218 total cpu time spent up to now is 23.8 secs Computing kpt #: 219 total cpu time spent up to now is 23.9 secs Computing kpt #: 220 total cpu time spent up to now is 24.0 secs Computing kpt #: 221 total cpu time spent up to now is 24.1 secs Computing kpt #: 222 total cpu time spent up to now is 24.2 secs Computing kpt #: 223 total cpu time spent up to now is 24.3 secs Computing kpt #: 224 total cpu time spent up to now is 24.5 secs Computing kpt #: 225 total cpu time spent up to now is 24.6 secs Computing kpt #: 226 total cpu time spent up to now is 24.7 secs Computing kpt #: 227 total cpu time spent up to now is 24.8 secs Computing kpt #: 228 total cpu time spent up to now is 24.9 secs Computing kpt #: 229 total cpu time spent up to now is 25.0 secs Computing kpt #: 230 total cpu time spent up to now is 25.1 secs Computing kpt #: 231 total cpu time spent up to now is 25.2 secs Computing kpt #: 232 total cpu time spent up to now is 25.3 secs Computing kpt #: 233 total cpu time spent up to now is 25.5 secs Computing kpt #: 234 total cpu time spent up to now is 25.6 secs Computing kpt #: 235 total cpu time spent up to now is 25.7 secs Computing kpt #: 236 total cpu time spent up to now is 25.7 secs Computing kpt #: 237 total cpu time spent up to now is 25.8 secs Computing kpt #: 238 total cpu time spent up to now is 25.9 secs Computing kpt #: 239 total cpu time spent up to now is 26.0 secs Computing kpt #: 240 total cpu time spent up to now is 26.1 secs Computing kpt #: 241 total cpu time spent up to now is 26.2 secs Computing kpt #: 242 total cpu time spent up to now is 26.3 secs Computing kpt #: 243 total cpu time spent up to now is 26.4 secs Computing kpt #: 244 total cpu time spent up to now is 26.5 secs Computing kpt #: 245 total cpu time spent up to now is 26.6 secs Computing kpt #: 246 total cpu time spent up to now is 26.8 secs Computing kpt #: 247 total cpu time spent up to now is 26.9 secs Computing kpt #: 248 total cpu time spent up to now is 27.0 secs Computing kpt #: 249 total cpu time spent up to now is 27.1 secs Computing kpt #: 250 total cpu time spent up to now is 27.2 secs Computing kpt #: 251 total cpu time spent up to now is 27.3 secs Computing kpt #: 252 total cpu time spent up to now is 27.4 secs Computing kpt #: 253 total cpu time spent up to now is 27.5 secs Computing kpt #: 254 total cpu time spent up to now is 27.6 secs Computing kpt #: 255 total cpu time spent up to now is 27.7 secs Computing kpt #: 256 total cpu time spent up to now is 27.8 secs Computing kpt #: 257 total cpu time spent up to now is 27.9 secs Computing kpt #: 258 total cpu time spent up to now is 28.0 secs Computing kpt #: 259 total cpu time spent up to now is 28.1 secs Computing kpt #: 260 total cpu time spent up to now is 28.2 secs Computing kpt #: 261 total cpu time spent up to now is 28.3 secs Computing kpt #: 262 total cpu time spent up to now is 28.4 secs Computing kpt #: 263 total cpu time spent up to now is 28.5 secs Computing kpt #: 264 total cpu time spent up to now is 28.6 secs Computing kpt #: 265 total cpu time spent up to now is 28.7 secs Computing kpt #: 266 total cpu time spent up to now is 28.8 secs Computing kpt #: 267 total cpu time spent up to now is 28.9 secs Computing kpt #: 268 total cpu time spent up to now is 29.0 secs Computing kpt #: 269 total cpu time spent up to now is 29.1 secs Computing kpt #: 270 total cpu time spent up to now is 29.2 secs Computing kpt #: 271 total cpu time spent up to now is 29.3 secs Computing kpt #: 272 total cpu time spent up to now is 29.4 secs Computing kpt #: 273 total cpu time spent up to now is 29.5 secs Computing kpt #: 274 total cpu time spent up to now is 29.6 secs Computing kpt #: 275 total cpu time spent up to now is 29.7 secs Computing kpt #: 276 total cpu time spent up to now is 29.8 secs Computing kpt #: 277 total cpu time spent up to now is 29.9 secs Computing kpt #: 278 total cpu time spent up to now is 30.0 secs Computing kpt #: 279 total cpu time spent up to now is 30.1 secs Computing kpt #: 280 total cpu time spent up to now is 30.2 secs Computing kpt #: 281 total cpu time spent up to now is 30.3 secs Computing kpt #: 282 total cpu time spent up to now is 30.4 secs Computing kpt #: 283 total cpu time spent up to now is 30.5 secs Computing kpt #: 284 total cpu time spent up to now is 30.6 secs Computing kpt #: 285 total cpu time spent up to now is 30.7 secs Computing kpt #: 286 total cpu time spent up to now is 30.8 secs Computing kpt #: 287 total cpu time spent up to now is 30.9 secs Computing kpt #: 288 total cpu time spent up to now is 30.9 secs Computing kpt #: 289 total cpu time spent up to now is 31.0 secs Computing kpt #: 290 total cpu time spent up to now is 31.1 secs Computing kpt #: 291 total cpu time spent up to now is 31.2 secs Computing kpt #: 292 total cpu time spent up to now is 31.3 secs Computing kpt #: 293 total cpu time spent up to now is 31.4 secs Computing kpt #: 294 total cpu time spent up to now is 31.5 secs Computing kpt #: 295 total cpu time spent up to now is 31.6 secs Computing kpt #: 296 total cpu time spent up to now is 31.7 secs Computing kpt #: 297 total cpu time spent up to now is 31.8 secs Computing kpt #: 298 total cpu time spent up to now is 31.9 secs Computing kpt #: 299 total cpu time spent up to now is 32.0 secs Computing kpt #: 300 total cpu time spent up to now is 32.0 secs Computing kpt #: 301 total cpu time spent up to now is 32.1 secs Computing kpt #: 302 total cpu time spent up to now is 32.2 secs Computing kpt #: 303 total cpu time spent up to now is 32.3 secs Computing kpt #: 304 total cpu time spent up to now is 32.4 secs Computing kpt #: 305 total cpu time spent up to now is 32.5 secs Computing kpt #: 306 total cpu time spent up to now is 32.6 secs Computing kpt #: 307 total cpu time spent up to now is 32.7 secs Computing kpt #: 308 total cpu time spent up to now is 32.8 secs Computing kpt #: 309 total cpu time spent up to now is 32.9 secs Computing kpt #: 310 total cpu time spent up to now is 33.0 secs Computing kpt #: 311 total cpu time spent up to now is 33.1 secs Computing kpt #: 312 total cpu time spent up to now is 33.2 secs Computing kpt #: 313 total cpu time spent up to now is 33.3 secs Computing kpt #: 314 total cpu time spent up to now is 33.4 secs Computing kpt #: 315 total cpu time spent up to now is 33.5 secs Computing kpt #: 316 total cpu time spent up to now is 33.5 secs Computing kpt #: 317 total cpu time spent up to now is 33.6 secs Computing kpt #: 318 total cpu time spent up to now is 33.7 secs Computing kpt #: 319 total cpu time spent up to now is 33.8 secs Computing kpt #: 320 total cpu time spent up to now is 33.9 secs Computing kpt #: 321 total cpu time spent up to now is 34.0 secs Computing kpt #: 322 total cpu time spent up to now is 34.1 secs Computing kpt #: 323 total cpu time spent up to now is 34.2 secs Computing kpt #: 324 total cpu time spent up to now is 34.3 secs Computing kpt #: 325 total cpu time spent up to now is 34.4 secs Computing kpt #: 326 total cpu time spent up to now is 34.5 secs Computing kpt #: 327 total cpu time spent up to now is 34.6 secs Computing kpt #: 328 total cpu time spent up to now is 34.7 secs Computing kpt #: 329 total cpu time spent up to now is 34.7 secs Computing kpt #: 330 total cpu time spent up to now is 34.8 secs Computing kpt #: 331 total cpu time spent up to now is 34.9 secs Computing kpt #: 332 total cpu time spent up to now is 35.0 secs Computing kpt #: 333 total cpu time spent up to now is 35.1 secs Computing kpt #: 334 total cpu time spent up to now is 35.2 secs Computing kpt #: 335 total cpu time spent up to now is 35.3 secs Computing kpt #: 336 total cpu time spent up to now is 35.4 secs Computing kpt #: 337 total cpu time spent up to now is 35.5 secs Computing kpt #: 338 total cpu time spent up to now is 35.6 secs Computing kpt #: 339 total cpu time spent up to now is 35.7 secs Computing kpt #: 340 total cpu time spent up to now is 35.8 secs Computing kpt #: 341 total cpu time spent up to now is 35.9 secs Computing kpt #: 342 total cpu time spent up to now is 36.0 secs Computing kpt #: 343 total cpu time spent up to now is 36.1 secs Computing kpt #: 344 total cpu time spent up to now is 36.1 secs Computing kpt #: 345 total cpu time spent up to now is 36.2 secs Computing kpt #: 346 total cpu time spent up to now is 36.3 secs Computing kpt #: 347 total cpu time spent up to now is 36.4 secs Computing kpt #: 348 total cpu time spent up to now is 36.5 secs Computing kpt #: 349 total cpu time spent up to now is 36.6 secs Computing kpt #: 350 total cpu time spent up to now is 36.7 secs Computing kpt #: 351 total cpu time spent up to now is 36.8 secs Computing kpt #: 352 total cpu time spent up to now is 36.9 secs Computing kpt #: 353 total cpu time spent up to now is 37.0 secs Computing kpt #: 354 total cpu time spent up to now is 37.1 secs Computing kpt #: 355 total cpu time spent up to now is 37.2 secs Computing kpt #: 356 total cpu time spent up to now is 37.3 secs Computing kpt #: 357 total cpu time spent up to now is 37.4 secs Computing kpt #: 358 total cpu time spent up to now is 37.5 secs Computing kpt #: 359 total cpu time spent up to now is 37.6 secs Computing kpt #: 360 total cpu time spent up to now is 37.7 secs Computing kpt #: 361 total cpu time spent up to now is 37.8 secs Computing kpt #: 362 total cpu time spent up to now is 37.9 secs Computing kpt #: 363 total cpu time spent up to now is 38.0 secs Computing kpt #: 364 total cpu time spent up to now is 38.1 secs Computing kpt #: 365 total cpu time spent up to now is 38.2 secs Computing kpt #: 366 total cpu time spent up to now is 38.3 secs Computing kpt #: 367 total cpu time spent up to now is 38.5 secs Computing kpt #: 368 total cpu time spent up to now is 38.6 secs Computing kpt #: 369 total cpu time spent up to now is 38.7 secs Computing kpt #: 370 total cpu time spent up to now is 38.8 secs Computing kpt #: 371 total cpu time spent up to now is 38.9 secs Computing kpt #: 372 total cpu time spent up to now is 39.0 secs Computing kpt #: 373 total cpu time spent up to now is 39.1 secs Computing kpt #: 374 total cpu time spent up to now is 39.2 secs Computing kpt #: 375 total cpu time spent up to now is 39.3 secs Computing kpt #: 376 total cpu time spent up to now is 39.4 secs Computing kpt #: 377 total cpu time spent up to now is 39.6 secs Computing kpt #: 378 total cpu time spent up to now is 39.7 secs Computing kpt #: 379 total cpu time spent up to now is 39.8 secs Computing kpt #: 380 total cpu time spent up to now is 39.9 secs Computing kpt #: 381 total cpu time spent up to now is 40.0 secs Computing kpt #: 382 total cpu time spent up to now is 40.1 secs Computing kpt #: 383 total cpu time spent up to now is 40.2 secs Computing kpt #: 384 total cpu time spent up to now is 40.3 secs Computing kpt #: 385 total cpu time spent up to now is 40.4 secs Computing kpt #: 386 total cpu time spent up to now is 40.5 secs Computing kpt #: 387 total cpu time spent up to now is 40.6 secs Computing kpt #: 388 total cpu time spent up to now is 40.7 secs Computing kpt #: 389 total cpu time spent up to now is 40.8 secs Computing kpt #: 390 total cpu time spent up to now is 40.9 secs Computing kpt #: 391 total cpu time spent up to now is 41.0 secs Computing kpt #: 392 total cpu time spent up to now is 41.1 secs Computing kpt #: 393 total cpu time spent up to now is 41.2 secs Computing kpt #: 394 total cpu time spent up to now is 41.3 secs Computing kpt #: 395 total cpu time spent up to now is 41.4 secs Computing kpt #: 396 total cpu time spent up to now is 41.5 secs Computing kpt #: 397 total cpu time spent up to now is 41.6 secs Computing kpt #: 398 total cpu time spent up to now is 41.6 secs Computing kpt #: 399 total cpu time spent up to now is 41.7 secs Computing kpt #: 400 total cpu time spent up to now is 41.8 secs Computing kpt #: 401 total cpu time spent up to now is 41.9 secs Computing kpt #: 402 total cpu time spent up to now is 42.0 secs Computing kpt #: 403 total cpu time spent up to now is 42.1 secs Computing kpt #: 404 total cpu time spent up to now is 42.2 secs Computing kpt #: 405 total cpu time spent up to now is 42.3 secs Computing kpt #: 406 total cpu time spent up to now is 42.4 secs Computing kpt #: 407 total cpu time spent up to now is 42.5 secs Computing kpt #: 408 total cpu time spent up to now is 42.5 secs Computing kpt #: 409 total cpu time spent up to now is 42.6 secs Computing kpt #: 410 total cpu time spent up to now is 42.7 secs Computing kpt #: 411 total cpu time spent up to now is 42.8 secs Computing kpt #: 412 total cpu time spent up to now is 42.9 secs Computing kpt #: 413 total cpu time spent up to now is 43.1 secs Computing kpt #: 414 total cpu time spent up to now is 43.2 secs Computing kpt #: 415 total cpu time spent up to now is 43.3 secs Computing kpt #: 416 total cpu time spent up to now is 43.5 secs Computing kpt #: 417 total cpu time spent up to now is 43.6 secs Computing kpt #: 418 total cpu time spent up to now is 43.7 secs Computing kpt #: 419 total cpu time spent up to now is 43.8 secs Computing kpt #: 420 total cpu time spent up to now is 44.0 secs Computing kpt #: 421 total cpu time spent up to now is 44.1 secs Computing kpt #: 422 total cpu time spent up to now is 44.2 secs Computing kpt #: 423 total cpu time spent up to now is 44.3 secs Computing kpt #: 424 total cpu time spent up to now is 44.4 secs Computing kpt #: 425 total cpu time spent up to now is 44.5 secs Computing kpt #: 426 total cpu time spent up to now is 44.6 secs Computing kpt #: 427 total cpu time spent up to now is 44.8 secs Computing kpt #: 428 total cpu time spent up to now is 44.9 secs Computing kpt #: 429 total cpu time spent up to now is 45.0 secs Computing kpt #: 430 total cpu time spent up to now is 45.1 secs Computing kpt #: 431 total cpu time spent up to now is 45.2 secs Computing kpt #: 432 total cpu time spent up to now is 45.3 secs Computing kpt #: 433 total cpu time spent up to now is 45.4 secs Computing kpt #: 434 total cpu time spent up to now is 45.5 secs Computing kpt #: 435 total cpu time spent up to now is 45.7 secs Computing kpt #: 436 total cpu time spent up to now is 45.8 secs Computing kpt #: 437 total cpu time spent up to now is 45.9 secs Computing kpt #: 438 total cpu time spent up to now is 46.0 secs Computing kpt #: 439 total cpu time spent up to now is 46.1 secs Computing kpt #: 440 total cpu time spent up to now is 46.2 secs Computing kpt #: 441 total cpu time spent up to now is 46.3 secs Computing kpt #: 442 total cpu time spent up to now is 46.4 secs Computing kpt #: 443 total cpu time spent up to now is 46.5 secs Computing kpt #: 444 total cpu time spent up to now is 46.7 secs Computing kpt #: 445 total cpu time spent up to now is 46.8 secs Computing kpt #: 446 total cpu time spent up to now is 46.9 secs Computing kpt #: 447 total cpu time spent up to now is 47.0 secs Computing kpt #: 448 total cpu time spent up to now is 47.1 secs Computing kpt #: 449 total cpu time spent up to now is 47.2 secs Computing kpt #: 450 total cpu time spent up to now is 47.4 secs Computing kpt #: 451 total cpu time spent up to now is 47.5 secs Computing kpt #: 452 total cpu time spent up to now is 47.6 secs Computing kpt #: 453 total cpu time spent up to now is 47.8 secs Computing kpt #: 454 total cpu time spent up to now is 47.9 secs Computing kpt #: 455 total cpu time spent up to now is 48.0 secs Computing kpt #: 456 total cpu time spent up to now is 48.1 secs Computing kpt #: 457 total cpu time spent up to now is 48.2 secs Computing kpt #: 458 total cpu time spent up to now is 48.3 secs Computing kpt #: 459 total cpu time spent up to now is 48.4 secs Computing kpt #: 460 total cpu time spent up to now is 48.6 secs Computing kpt #: 461 total cpu time spent up to now is 48.7 secs Computing kpt #: 462 total cpu time spent up to now is 48.8 secs Computing kpt #: 463 total cpu time spent up to now is 48.9 secs Computing kpt #: 464 total cpu time spent up to now is 49.0 secs Computing kpt #: 465 total cpu time spent up to now is 49.1 secs Computing kpt #: 466 total cpu time spent up to now is 49.2 secs Computing kpt #: 467 total cpu time spent up to now is 49.3 secs Computing kpt #: 468 total cpu time spent up to now is 49.4 secs Computing kpt #: 469 total cpu time spent up to now is 49.5 secs Computing kpt #: 470 total cpu time spent up to now is 49.6 secs Computing kpt #: 471 total cpu time spent up to now is 49.7 secs Computing kpt #: 472 total cpu time spent up to now is 49.8 secs Computing kpt #: 473 total cpu time spent up to now is 49.9 secs Computing kpt #: 474 total cpu time spent up to now is 50.0 secs Computing kpt #: 475 total cpu time spent up to now is 50.1 secs Computing kpt #: 476 total cpu time spent up to now is 50.2 secs Computing kpt #: 477 total cpu time spent up to now is 50.3 secs Computing kpt #: 478 total cpu time spent up to now is 50.4 secs Computing kpt #: 479 total cpu time spent up to now is 50.5 secs Computing kpt #: 480 total cpu time spent up to now is 50.6 secs Computing kpt #: 481 total cpu time spent up to now is 50.7 secs Computing kpt #: 482 total cpu time spent up to now is 50.8 secs Computing kpt #: 483 total cpu time spent up to now is 50.9 secs Computing kpt #: 484 total cpu time spent up to now is 51.0 secs Computing kpt #: 485 total cpu time spent up to now is 51.1 secs Computing kpt #: 486 total cpu time spent up to now is 51.2 secs Computing kpt #: 487 total cpu time spent up to now is 51.3 secs Computing kpt #: 488 total cpu time spent up to now is 51.4 secs Computing kpt #: 489 total cpu time spent up to now is 51.5 secs Computing kpt #: 490 total cpu time spent up to now is 51.5 secs Computing kpt #: 491 total cpu time spent up to now is 51.6 secs Computing kpt #: 492 total cpu time spent up to now is 51.7 secs Computing kpt #: 493 total cpu time spent up to now is 51.8 secs Computing kpt #: 494 total cpu time spent up to now is 51.9 secs Computing kpt #: 495 total cpu time spent up to now is 52.0 secs Computing kpt #: 496 total cpu time spent up to now is 52.0 secs Computing kpt #: 497 total cpu time spent up to now is 52.1 secs Computing kpt #: 498 total cpu time spent up to now is 52.2 secs Computing kpt #: 499 total cpu time spent up to now is 52.3 secs Computing kpt #: 500 total cpu time spent up to now is 52.4 secs Computing kpt #: 501 total cpu time spent up to now is 52.5 secs Computing kpt #: 502 total cpu time spent up to now is 52.6 secs Computing kpt #: 503 total cpu time spent up to now is 52.6 secs Computing kpt #: 504 total cpu time spent up to now is 52.7 secs Computing kpt #: 505 total cpu time spent up to now is 52.8 secs Computing kpt #: 506 total cpu time spent up to now is 52.9 secs Computing kpt #: 507 total cpu time spent up to now is 53.0 secs Computing kpt #: 508 total cpu time spent up to now is 53.1 secs Computing kpt #: 509 total cpu time spent up to now is 53.2 secs Computing kpt #: 510 total cpu time spent up to now is 53.3 secs Computing kpt #: 511 total cpu time spent up to now is 53.4 secs Computing kpt #: 512 total cpu time spent up to now is 53.4 secs Computing kpt #: 513 total cpu time spent up to now is 53.5 secs Computing kpt #: 514 total cpu time spent up to now is 53.6 secs Computing kpt #: 515 total cpu time spent up to now is 53.7 secs Computing kpt #: 516 total cpu time spent up to now is 53.8 secs Computing kpt #: 517 total cpu time spent up to now is 53.9 secs Computing kpt #: 518 total cpu time spent up to now is 54.0 secs Computing kpt #: 519 total cpu time spent up to now is 54.1 secs Computing kpt #: 520 total cpu time spent up to now is 54.2 secs Computing kpt #: 521 total cpu time spent up to now is 54.3 secs Computing kpt #: 522 total cpu time spent up to now is 54.4 secs Computing kpt #: 523 total cpu time spent up to now is 54.5 secs Computing kpt #: 524 total cpu time spent up to now is 54.6 secs Computing kpt #: 525 total cpu time spent up to now is 54.6 secs Computing kpt #: 526 total cpu time spent up to now is 54.7 secs Computing kpt #: 527 total cpu time spent up to now is 54.8 secs Computing kpt #: 528 total cpu time spent up to now is 54.9 secs Computing kpt #: 529 total cpu time spent up to now is 55.0 secs Computing kpt #: 530 total cpu time spent up to now is 55.1 secs Computing kpt #: 531 total cpu time spent up to now is 55.2 secs Computing kpt #: 532 total cpu time spent up to now is 55.3 secs Computing kpt #: 533 total cpu time spent up to now is 55.4 secs Computing kpt #: 534 total cpu time spent up to now is 55.5 secs Computing kpt #: 535 total cpu time spent up to now is 55.6 secs Computing kpt #: 536 total cpu time spent up to now is 55.7 secs Computing kpt #: 537 total cpu time spent up to now is 55.9 secs Computing kpt #: 538 total cpu time spent up to now is 56.0 secs Computing kpt #: 539 total cpu time spent up to now is 56.1 secs Computing kpt #: 540 total cpu time spent up to now is 56.2 secs Computing kpt #: 541 total cpu time spent up to now is 56.4 secs Computing kpt #: 542 total cpu time spent up to now is 56.5 secs Computing kpt #: 543 total cpu time spent up to now is 56.6 secs Computing kpt #: 544 total cpu time spent up to now is 56.8 secs Computing kpt #: 545 total cpu time spent up to now is 56.9 secs Computing kpt #: 546 total cpu time spent up to now is 57.0 secs Computing kpt #: 547 total cpu time spent up to now is 57.1 secs Computing kpt #: 548 total cpu time spent up to now is 57.2 secs Computing kpt #: 549 total cpu time spent up to now is 57.3 secs Computing kpt #: 550 total cpu time spent up to now is 57.5 secs Computing kpt #: 551 total cpu time spent up to now is 57.6 secs Computing kpt #: 552 total cpu time spent up to now is 57.7 secs Computing kpt #: 553 total cpu time spent up to now is 57.8 secs Computing kpt #: 554 total cpu time spent up to now is 57.9 secs Computing kpt #: 555 total cpu time spent up to now is 58.0 secs Computing kpt #: 556 total cpu time spent up to now is 58.2 secs Computing kpt #: 557 total cpu time spent up to now is 58.3 secs Computing kpt #: 558 total cpu time spent up to now is 58.4 secs Computing kpt #: 559 total cpu time spent up to now is 58.5 secs Computing kpt #: 560 total cpu time spent up to now is 58.6 secs Computing kpt #: 561 total cpu time spent up to now is 58.8 secs Computing kpt #: 562 total cpu time spent up to now is 58.9 secs Computing kpt #: 563 total cpu time spent up to now is 59.0 secs Computing kpt #: 564 total cpu time spent up to now is 59.1 secs ethr = 8.33E-08, avg # of iterations = 14.0 total cpu time spent up to now is 59.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 427 PWs) bands (ev): -7.0511 -7.0511 -0.9060 -0.9060 3.4617 3.4617 7.1215 7.1215 12.2858 12.2858 14.2392 14.2392 14.6867 14.6867 14.7513 14.7513 15.1872 15.1872 20.2313 20.2313 k = 0.0042 0.0101-0.0005 ( 425 PWs) bands (ev): -7.0498 -7.0498 -0.9048 -0.9048 3.4629 3.4629 7.1225 7.1225 12.2855 12.2855 14.2323 14.2323 14.6824 14.6824 14.7485 14.7485 15.1763 15.1763 20.2327 20.2327 k = 0.0084 0.0203-0.0011 ( 425 PWs) bands (ev): -7.0458 -7.0458 -0.9012 -0.9012 3.4667 3.4667 7.1251 7.1251 12.2842 12.2842 14.2104 14.2104 14.6689 14.6689 14.7414 14.7414 15.1443 15.1443 20.2351 20.2351 k = 0.0125 0.0304-0.0016 ( 425 PWs) bands (ev): -7.0392 -7.0392 -0.8952 -0.8952 3.4730 3.4730 7.1296 7.1296 12.2819 12.2819 14.1703 14.1703 14.6467 14.6467 14.7325 14.7325 15.0940 15.0940 20.2390 20.2390 k = 0.0167 0.0405-0.0022 ( 423 PWs) bands (ev): -7.0299 -7.0299 -0.8868 -0.8868 3.4817 3.4817 7.1358 7.1358 12.2783 12.2783 14.1080 14.1080 14.6196 14.6196 14.7198 14.7198 15.0311 15.0311 20.2450 20.2450 k = 0.0209 0.0507-0.0027 ( 425 PWs) bands (ev): -7.0180 -7.0180 -0.8761 -0.8761 3.4930 3.4930 7.1438 7.1438 12.2728 12.2728 14.0205 14.0205 14.5912 14.5912 14.6964 14.6964 14.9664 14.9664 20.2521 20.2521 k = 0.0251 0.0608-0.0033 ( 427 PWs) bands (ev): -7.0035 -7.0035 -0.8629 -0.8629 3.5068 3.5068 7.1534 7.1534 12.2653 12.2653 13.9077 13.9077 14.5566 14.5566 14.6564 14.6564 14.9158 14.9158 20.2606 20.2606 k = 0.0292 0.0709-0.0038 ( 425 PWs) bands (ev): -6.9864 -6.9864 -0.8474 -0.8474 3.5230 3.5230 7.1646 7.1646 12.2547 12.2547 13.7717 13.7717 14.4925 14.4925 14.6168 14.6168 14.8895 14.8895 20.2727 20.2727 k = 0.0334 0.0811-0.0044 ( 425 PWs) bands (ev): -6.9666 -6.9666 -0.8295 -0.8295 3.5418 3.5418 7.1775 7.1775 12.2401 12.2401 13.6162 13.6162 14.3858 14.3858 14.5975 14.5975 14.8824 14.8824 20.2840 20.2840 k = 0.0376 0.0912-0.0049 ( 427 PWs) bands (ev): -6.9442 -6.9442 -0.8093 -0.8093 3.5630 3.5630 7.1918 7.1918 12.2199 12.2199 13.4445 13.4445 14.2541 14.2541 14.5907 14.5907 14.8868 14.8868 20.2963 20.2963 k = 0.0418 0.1013-0.0055 ( 429 PWs) bands (ev): -6.9191 -6.9191 -0.7868 -0.7868 3.5866 3.5866 7.2075 7.2075 12.1925 12.1925 13.2602 13.2602 14.1110 14.1110 14.5900 14.5900 14.8982 14.8982 20.3098 20.3098 k = 0.0460 0.1115-0.0060 ( 429 PWs) bands (ev): -6.8915 -6.8915 -0.7619 -0.7619 3.6127 3.6127 7.2245 7.2245 12.1553 12.1553 13.0662 13.0662 13.9646 13.9646 14.5929 14.5929 14.9146 14.9146 20.3241 20.3241 k = 0.0501 0.1216-0.0065 ( 429 PWs) bands (ev): -6.8613 -6.8613 -0.7348 -0.7348 3.6412 3.6412 7.2427 7.2427 12.1055 12.1055 12.8649 12.8649 13.8206 13.8206 14.5980 14.5980 14.9348 14.9348 20.3390 20.3390 k = 0.0543 0.1318-0.0071 ( 429 PWs) bands (ev): -6.8285 -6.8285 -0.7053 -0.7053 3.6721 3.6721 7.2618 7.2618 12.0395 12.0395 12.6587 12.6587 13.6841 13.6841 14.6047 14.6047 14.9583 14.9583 20.3539 20.3539 k = 0.0585 0.1419-0.0076 ( 427 PWs) bands (ev): -6.7931 -6.7931 -0.6737 -0.6737 3.7055 3.7055 7.2818 7.2818 11.9539 11.9539 12.4499 12.4499 13.5598 13.5598 14.6124 14.6124 14.9848 14.9848 20.3700 20.3700 k = 0.0627 0.1520-0.0082 ( 427 PWs) bands (ev): -6.7552 -6.7552 -0.6398 -0.6398 3.7412 3.7412 7.3024 7.3024 11.8452 11.8452 12.2406 12.2406 13.4512 13.4512 14.6206 14.6206 15.0137 15.0137 20.3837 20.3837 k = 0.0669 0.1622-0.0087 ( 429 PWs) bands (ev): -6.7147 -6.7147 -0.6038 -0.6038 3.7793 3.7793 7.3232 7.3232 11.7119 11.7119 12.0325 12.0325 13.3602 13.3602 14.6291 14.6291 15.0457 15.0457 20.3956 20.3956 k = 0.0710 0.1723-0.0093 ( 429 PWs) bands (ev): -6.6716 -6.6716 -0.5656 -0.5656 3.8196 3.8196 7.3440 7.3440 11.5549 11.5549 11.8275 11.8275 13.2873 13.2873 14.6375 14.6375 15.0804 15.0804 20.4056 20.4056 k = 0.0752 0.1824-0.0098 ( 427 PWs) bands (ev): -6.6261 -6.6261 -0.5253 -0.5253 3.8624 3.8624 7.3644 7.3644 11.3775 11.3775 11.6249 11.6249 13.2308 13.2308 14.6456 14.6456 15.1179 15.1179 20.4122 20.4122 k = 0.0794 0.1926-0.0104 ( 427 PWs) bands (ev): -6.5780 -6.5780 -0.4830 -0.4830 3.9073 3.9073 7.3838 7.3838 11.1857 11.1857 11.4228 11.4228 13.1884 13.1884 14.6531 14.6531 15.1579 15.1579 20.4145 20.4145 k = 0.0836 0.2027-0.0109 ( 425 PWs) bands (ev): -6.5275 -6.5275 -0.4386 -0.4386 3.9546 3.9546 7.4017 7.4017 10.9853 10.9853 11.2194 11.2194 13.1575 13.1575 14.6598 14.6598 15.2005 15.2005 20.4117 20.4117 k = 0.0877 0.2128-0.0114 ( 426 PWs) bands (ev): -6.4745 -6.4745 -0.3924 -0.3924 4.0040 4.0040 7.4172 7.4172 10.7809 10.7809 11.0140 11.0140 13.1354 13.1354 14.6654 14.6654 15.2456 15.2456 20.4009 20.4009 k = 0.0919 0.2230-0.0120 ( 425 PWs) bands (ev): -6.4190 -6.4190 -0.3442 -0.3442 4.0556 4.0556 7.4294 7.4294 10.5765 10.5765 10.8071 10.8071 13.1200 13.1200 14.6697 14.6697 15.2936 15.2936 20.3813 20.3813 k = 0.0961 0.2331-0.0125 ( 426 PWs) bands (ev): -6.3612 -6.3612 -0.2942 -0.2942 4.1094 4.1094 7.4372 7.4372 10.3739 10.3739 10.5995 10.5995 13.1093 13.1093 14.6723 14.6723 15.3439 15.3439 20.3508 20.3508 k = 0.1003 0.2432-0.0131 ( 427 PWs) bands (ev): -6.3010 -6.3010 -0.2424 -0.2424 4.1652 4.1652 7.4390 7.4390 10.1748 10.1748 10.3936 10.3936 13.1017 13.1017 14.6732 14.6732 15.3961 15.3961 20.3078 20.3078 k = 0.1045 0.2534-0.0136 ( 427 PWs) bands (ev): -6.2384 -6.2384 -0.1891 -0.1891 4.2230 4.2230 7.4333 7.4333 9.9796 9.9796 10.1921 10.1921 13.0965 13.0965 14.6719 14.6719 15.4515 15.4515 20.2514 20.2514 k = 0.1086 0.2635-0.0142 ( 427 PWs) bands (ev): -6.1735 -6.1735 -0.1341 -0.1341 4.2829 4.2829 7.4180 7.4180 9.7872 9.7872 9.9991 9.9991 13.0923 13.0923 14.6684 14.6684 15.5096 15.5096 20.1810 20.1810 k = 0.1128 0.2736-0.0147 ( 427 PWs) bands (ev): -6.1063 -6.1063 -0.0777 -0.0777 4.3447 4.3447 7.3908 7.3908 9.5952 9.5952 9.8204 9.8204 13.0882 13.0882 14.6622 14.6622 15.5702 15.5702 20.0965 20.0965 k = 0.1170 0.2838-0.0153 ( 425 PWs) bands (ev): -6.0368 -6.0368 -0.0200 -0.0200 4.4083 4.4083 7.3496 7.3496 9.4007 9.4007 9.6620 9.6620 13.0836 13.0836 14.6531 14.6531 15.6335 15.6335 19.9990 19.9990 k = 0.1212 0.2939-0.0158 ( 425 PWs) bands (ev): -5.9651 -5.9651 0.0389 0.0389 4.4738 4.4738 7.2924 7.2924 9.2028 9.2028 9.5276 9.5276 13.0776 13.0776 14.6408 14.6408 15.6994 15.6994 19.8897 19.8897 k = 0.1254 0.3040-0.0164 ( 425 PWs) bands (ev): -5.8913 -5.8913 0.0989 0.0989 4.5410 4.5410 7.2178 7.2178 9.0023 9.0023 9.4181 9.4181 13.0695 13.0695 14.6252 14.6252 15.7680 15.7680 19.7705 19.7705 k = 0.1295 0.3142-0.0169 ( 427 PWs) bands (ev): -5.8154 -5.8154 0.1597 0.1597 4.6099 4.6099 7.1254 7.1254 8.8010 8.8010 9.3330 9.3330 13.0587 13.0587 14.6058 14.6058 15.8377 15.8377 19.6431 19.6431 k = 0.1337 0.3243-0.0174 ( 430 PWs) bands (ev): -5.7374 -5.7374 0.2212 0.2212 4.6803 4.6803 7.0161 7.0161 8.5997 8.5997 9.2703 9.2703 13.0451 13.0451 14.5826 14.5826 15.9117 15.9117 19.5092 19.5092 k = 0.1379 0.3345-0.0180 ( 430 PWs) bands (ev): -5.6575 -5.6575 0.2832 0.2832 4.7522 4.7522 6.8913 6.8913 8.4012 8.4012 9.2280 9.2280 13.0280 13.0280 14.5553 14.5553 15.9884 15.9884 19.3707 19.3707 k = 0.1421 0.3446-0.0185 ( 430 PWs) bands (ev): -5.5756 -5.5756 0.3454 0.3454 4.8254 4.8254 6.7531 6.7531 8.2055 8.2055 9.2031 9.2031 13.0070 13.0070 14.5237 14.5237 16.0681 16.0681 19.2292 19.2292 k = 0.1462 0.3547-0.0191 ( 430 PWs) bands (ev): -5.4918 -5.4918 0.4076 0.4076 4.8999 4.8999 6.6046 6.6046 8.0134 8.0134 9.1930 9.1930 12.9816 12.9816 14.4877 14.4877 16.1505 16.1505 19.0846 19.0846 k = 0.1504 0.3649-0.0196 ( 430 PWs) bands (ev): -5.4063 -5.4063 0.4694 0.4694 4.9753 4.9753 6.4479 6.4479 7.8258 7.8258 9.1952 9.1952 12.9517 12.9517 14.4470 14.4470 16.2357 16.2357 18.9383 18.9383 k = 0.1546 0.3750-0.0202 ( 428 PWs) bands (ev): -5.3191 -5.3191 0.5305 0.5305 5.0517 5.0517 6.2852 6.2852 7.6431 7.6431 9.2071 9.2071 12.9168 12.9168 14.4017 14.4017 16.3239 16.3239 18.7916 18.7916 k = 0.1588 0.3851-0.0207 ( 428 PWs) bands (ev): -5.2302 -5.2302 0.5906 0.5906 5.1286 5.1286 6.1185 6.1185 7.4660 7.4660 9.2268 9.2268 12.8769 12.8769 14.3516 14.3516 16.4149 16.4149 18.6441 18.6441 k = 0.1630 0.3953-0.0213 ( 431 PWs) bands (ev): -5.1400 -5.1400 0.6491 0.6491 5.2056 5.2056 5.9494 5.9494 7.2953 7.2953 9.2525 9.2525 12.8318 12.8318 14.2967 14.2967 16.5088 16.5088 18.4951 18.4951 k = 0.1671 0.4054-0.0218 ( 433 PWs) bands (ev): -5.0483 -5.0483 0.7057 0.7057 5.2819 5.2819 5.7802 5.7802 7.1317 7.1317 9.2828 9.2828 12.7812 12.7812 14.2372 14.2372 16.6037 16.6037 18.3484 18.3484 k = 0.1713 0.4155-0.0224 ( 435 PWs) bands (ev): -4.9554 -4.9554 0.7598 0.7598 5.3539 5.3539 5.6149 5.6149 6.9760 6.9760 9.3166 9.3166 12.7254 12.7254 14.1730 14.1730 16.7031 16.7031 18.2006 18.2006 k = 0.1755 0.4257-0.0229 ( 435 PWs) bands (ev): -4.8613 -4.8613 0.8108 0.8108 5.3819 5.3819 5.4938 5.4938 6.8293 6.8293 9.3527 9.3527 12.6645 12.6645 14.1046 14.1046 16.8049 16.8049 18.0569 18.0569 k = 0.1797 0.4358-0.0234 ( 437 PWs) bands (ev): -4.7664 -4.7664 0.8581 0.8581 5.2506 5.2506 5.5319 5.5319 6.6928 6.6928 9.3904 9.3904 12.5985 12.5985 14.0319 14.0319 16.9087 16.9087 17.9160 17.9160 k = 0.1839 0.4459-0.0240 ( 437 PWs) bands (ev): -4.6706 -4.6706 0.9011 0.9011 5.0888 5.0888 5.6005 5.6005 6.5681 6.5681 9.4288 9.4288 12.5275 12.5275 13.9552 13.9552 17.0132 17.0132 17.7793 17.7793 k = 0.1880 0.4561-0.0245 ( 435 PWs) bands (ev): -4.5743 -4.5743 0.9390 0.9390 4.9264 4.9264 5.6685 5.6685 6.4577 6.4577 9.4672 9.4672 12.4519 12.4519 13.8747 13.8747 17.1150 17.1150 17.6515 17.6515 k = 0.1922 0.4662-0.0251 ( 435 PWs) bands (ev): -4.4775 -4.4775 0.9712 0.9712 4.7663 4.7663 5.7302 5.7302 6.3651 6.3651 9.5049 9.5049 12.3718 12.3718 13.7904 13.7904 17.2021 17.2021 17.5443 17.5443 k = 0.1964 0.4763-0.0256 ( 437 PWs) bands (ev): -4.3806 -4.3806 0.9968 0.9968 4.6096 4.6096 5.7799 5.7799 6.2960 6.2960 9.5414 9.5414 12.2875 12.2875 13.7029 13.7029 17.2260 17.2260 17.5047 17.5047 k = 0.2006 0.4865-0.0262 ( 437 PWs) bands (ev): -4.2839 -4.2839 1.0153 1.0153 4.4570 4.4570 5.8105 5.8105 6.2578 6.2578 9.5760 9.5760 12.1995 12.1995 13.6125 13.6125 17.1559 17.1559 17.5668 17.5668 k = 0.2047 0.4966-0.0267 ( 435 PWs) bands (ev): -4.1874 -4.1874 1.0258 1.0258 4.3091 4.3091 5.8179 5.8179 6.2553 6.2553 9.6083 9.6083 12.1079 12.1079 13.5194 13.5194 17.0488 17.0488 17.6733 17.6733 k = 0.2089 0.5067-0.0273 ( 435 PWs) bands (ev): -4.0917 -4.0917 1.0280 1.0280 4.1663 4.1663 5.8071 5.8071 6.2834 6.2834 9.6377 9.6377 12.0133 12.0133 13.4239 13.4239 16.9343 16.9343 17.7943 17.7943 k = 0.2131 0.5169-0.0278 ( 437 PWs) bands (ev): -3.9969 -3.9969 1.0212 1.0212 4.0291 4.0291 5.7891 5.7891 6.3313 6.3313 9.6638 9.6638 11.9158 11.9158 13.3261 13.3261 16.8197 16.8197 17.8818 17.8818 k = 0.2173 0.5270-0.0283 ( 437 PWs) bands (ev): -3.9035 -3.9035 1.0053 1.0053 3.8980 3.8980 5.7733 5.7733 6.3900 6.3900 9.6862 9.6862 11.8159 11.8159 13.2264 13.2264 16.7091 16.7091 17.8014 17.8014 k = 0.2215 0.5372-0.0289 ( 437 PWs) bands (ev): -3.8118 -3.8118 0.9801 0.9801 3.7736 3.7736 5.7649 5.7649 6.4539 6.4539 9.7044 9.7044 11.7140 11.7140 13.1251 13.1251 16.6030 16.6030 17.7288 17.7288 k = 0.2256 0.5473-0.0294 ( 437 PWs) bands (ev): -3.7223 -3.7223 0.9456 0.9456 3.6563 3.6563 5.7665 5.7665 6.5200 6.5200 9.7182 9.7182 11.6105 11.6105 13.0222 13.0222 16.5023 16.5023 17.6656 17.6656 k = 0.2298 0.5574-0.0300 ( 435 PWs) bands (ev): -3.6354 -3.6354 0.9020 0.9020 3.5466 3.5466 5.7796 5.7796 6.5865 6.5865 9.7271 9.7271 11.5055 11.5055 12.9181 12.9181 16.4081 16.4081 17.6128 17.6128 k = 0.2340 0.5676-0.0305 ( 435 PWs) bands (ev): -3.5517 -3.5517 0.8497 0.8497 3.4452 3.4452 5.8045 5.8045 6.6523 6.6523 9.7311 9.7311 11.3995 11.3995 12.8128 12.8128 16.3202 16.3202 17.5696 17.5696 k = 0.2382 0.5777-0.0311 ( 435 PWs) bands (ev): -3.4715 -3.4715 0.7893 0.7893 3.3525 3.3525 5.8410 5.8410 6.7166 6.7166 9.7298 9.7298 11.2927 11.2927 12.7065 12.7065 16.2395 16.2395 17.5368 17.5368 k = 0.2424 0.5878-0.0316 ( 438 PWs) bands (ev): -3.3954 -3.3954 0.7213 0.7213 3.2690 3.2690 5.8888 5.8888 6.7788 6.7788 9.7231 9.7231 11.1856 11.1856 12.5994 12.5994 16.1664 16.1664 17.5130 17.5130 k = 0.2465 0.5980-0.0322 ( 438 PWs) bands (ev): -3.3239 -3.3239 0.6464 0.6464 3.1955 3.1955 5.9473 5.9473 6.8387 6.8387 9.7111 9.7111 11.0784 11.0784 12.4916 12.4916 16.1013 16.1013 17.5018 17.5018 k = 0.2507 0.6081-0.0327 ( 436 PWs) bands (ev): -3.2576 -3.2576 0.5654 0.5654 3.1325 3.1325 6.0157 6.0157 6.8960 6.8960 9.6937 9.6937 10.9714 10.9714 12.3833 12.3833 16.0453 16.0453 17.5016 17.5016 k = 0.2549 0.6182-0.0333 ( 436 PWs) bands (ev): -3.1969 -3.1969 0.4789 0.4789 3.0804 3.0804 6.0931 6.0931 6.9503 6.9503 9.6710 9.6710 10.8649 10.8649 12.2745 12.2745 15.9975 15.9975 17.5124 17.5124 k = 0.2591 0.6284-0.0338 ( 436 PWs) bands (ev): -3.1424 -3.1424 0.3877 0.3877 3.0397 3.0397 6.1784 6.1784 7.0018 7.0018 9.6431 9.6431 10.7591 10.7591 12.1653 12.1653 15.9591 15.9591 17.5341 17.5341 k = 0.2632 0.6385-0.0343 ( 432 PWs) bands (ev): -3.0944 -3.0944 0.2925 0.2925 3.0111 3.0111 6.2705 6.2705 7.0508 7.0508 9.6104 9.6104 10.6543 10.6543 12.0558 12.0558 15.9324 15.9324 17.5670 17.5670 k = 0.2674 0.6486-0.0349 ( 436 PWs) bands (ev): -3.0534 -3.0534 0.1939 0.1939 2.9946 2.9946 6.3678 6.3678 7.0973 7.0973 9.5728 9.5728 10.5506 10.5506 11.9460 11.9460 15.9131 15.9131 17.6096 17.6096 k = 0.2716 0.6588-0.0354 ( 434 PWs) bands (ev): -3.0196 -3.0196 0.0925 0.0925 2.9908 2.9908 6.4686 6.4686 7.1425 7.1425 9.5310 9.5310 10.4488 10.4488 11.8362 11.8362 15.9047 15.9047 17.6650 17.6650 k = 0.2758 0.6689-0.0360 ( 436 PWs) bands (ev): -2.9933 -2.9933 -0.0110 -0.0110 2.9997 2.9997 6.5707 6.5707 7.1878 7.1878 9.4849 9.4849 10.3488 10.3488 11.7263 11.7263 15.9059 15.9059 17.7289 17.7289 k = 0.2800 0.6790-0.0365 ( 438 PWs) bands (ev): -2.9744 -2.9744 -0.1162 -0.1162 3.0217 3.0217 6.6706 6.6706 7.2354 7.2354 9.4351 9.4351 10.2512 10.2512 11.6162 11.6162 15.9164 15.9164 17.8018 17.8018 k = 0.2841 0.6892-0.0371 ( 438 PWs) bands (ev): -2.9631 -2.9631 -0.2227 -0.2227 3.0565 3.0565 6.7642 6.7642 7.2889 7.2889 9.3820 9.3820 10.1565 10.1565 11.5065 11.5065 15.9386 15.9386 17.8852 17.8852 k = 0.2883 0.6993-0.0376 ( 442 PWs) bands (ev): -2.9592 -2.9592 -0.3301 -0.3301 3.1040 3.1040 6.8462 6.8462 7.3525 7.3525 9.3258 9.3258 10.0651 10.0651 11.3971 11.3971 15.9703 15.9703 17.9763 17.9763 k = 0.2925 0.7094-0.0382 ( 442 PWs) bands (ev): -2.9624 -2.9624 -0.4379 -0.4379 3.1642 3.1642 6.9120 6.9120 7.4300 7.4300 9.2670 9.2670 9.9778 9.9778 11.2880 11.2880 16.0137 16.0137 18.0778 18.0778 k = 0.2925 0.7094-0.0382 ( 442 PWs) bands (ev): -2.9624 -2.9624 -0.4379 -0.4379 3.1642 3.1642 6.9120 6.9120 7.4300 7.4300 9.2670 9.2670 9.9778 9.9778 11.2880 11.2880 16.0137 16.0137 18.0778 18.0778 k = 0.2927 0.7100-0.0273 ( 442 PWs) bands (ev): -2.9622 -2.9622 -0.4381 -0.4381 3.1679 3.1679 6.9591 6.9591 7.3607 7.3607 9.1577 9.1577 10.0073 10.0073 11.3895 11.3895 16.0293 16.0293 18.0917 18.0917 k = 0.2930 0.7106-0.0164 ( 442 PWs) bands (ev): -2.9598 -2.9598 -0.4390 -0.4390 3.1739 3.1739 6.9208 6.9208 7.3712 7.3712 9.0363 9.0363 10.0388 10.0388 11.5044 11.5044 16.0569 16.0569 18.1110 18.1110 k = 0.2932 0.7112-0.0055 ( 441 PWs) bands (ev): -2.9552 -2.9552 -0.4405 -0.4405 3.1823 3.1823 6.8196 6.8196 7.4381 7.4381 8.9067 8.9067 10.0732 10.0732 11.6291 11.6291 16.0965 16.0965 18.1361 18.1361 k = 0.2935 0.7118 0.0054 ( 443 PWs) bands (ev): -2.9485 -2.9485 -0.4427 -0.4427 3.1930 3.1930 6.6944 6.6944 7.5215 7.5215 8.7714 8.7714 10.1118 10.1118 11.7607 11.7607 16.1469 16.1469 18.1663 18.1663 k = 0.2937 0.7124 0.0163 ( 441 PWs) bands (ev): -2.9396 -2.9396 -0.4456 -0.4456 3.2061 3.2061 6.5614 6.5614 7.6038 7.6038 8.6327 8.6327 10.1563 10.1563 11.8974 11.8974 16.2101 16.2101 18.2029 18.2029 k = 0.2939 0.7130 0.0271 ( 443 PWs) bands (ev): -2.9286 -2.9286 -0.4493 -0.4493 3.2214 3.2214 6.4264 6.4264 7.6776 7.6776 8.4922 8.4922 10.2084 10.2084 12.0369 12.0369 16.2825 16.2825 18.2438 18.2438 k = 0.2942 0.7135 0.0380 ( 443 PWs) bands (ev): -2.9155 -2.9155 -0.4539 -0.4539 3.2391 3.2391 6.2923 6.2923 7.7384 7.7384 8.3519 8.3519 10.2700 10.2700 12.1787 12.1787 16.3649 16.3649 18.2900 18.2900 k = 0.2944 0.7141 0.0489 ( 445 PWs) bands (ev): -2.9002 -2.9002 -0.4594 -0.4594 3.2591 3.2591 6.1602 6.1602 7.7823 7.7823 8.2140 8.2140 10.3424 10.3424 12.3216 12.3216 16.4543 16.4543 18.3411 18.3411 k = 0.2947 0.7147 0.0598 ( 443 PWs) bands (ev): -2.8829 -2.8829 -0.4660 -0.4660 3.2814 3.2814 6.0313 6.0313 7.8033 7.8033 8.0842 8.0842 10.4268 10.4268 12.4649 12.4649 16.5551 16.5551 18.3974 18.3974 k = 0.2949 0.7153 0.0707 ( 439 PWs) bands (ev): -2.8635 -2.8635 -0.4737 -0.4737 3.3061 3.3061 5.9061 5.9061 7.7850 7.7850 7.9787 7.9787 10.5236 10.5236 12.6080 12.6080 16.6639 16.6639 18.4585 18.4585 k = 0.2952 0.7159 0.0816 ( 441 PWs) bands (ev): -2.8421 -2.8421 -0.4827 -0.4827 3.3327 3.3327 5.7850 5.7850 7.7052 7.7052 7.9203 7.9203 10.6327 10.6327 12.7503 12.7503 16.7787 16.7787 18.5219 18.5219 k = 0.2954 0.7165 0.0925 ( 443 PWs) bands (ev): -2.8187 -2.8187 -0.4932 -0.4932 3.3616 3.3616 5.6684 5.6684 7.5865 7.5865 7.8878 7.8878 10.7535 10.7535 12.8913 12.8913 16.9001 16.9001 18.5909 18.5909 k = 0.2956 0.7171 0.1033 ( 445 PWs) bands (ev): -2.7934 -2.7934 -0.5051 -0.5051 3.3925 3.3925 5.5567 5.5567 7.4561 7.4561 7.8550 7.8550 10.8851 10.8851 13.0310 13.0310 17.0264 17.0264 18.6635 18.6635 k = 0.2959 0.7176 0.1142 ( 447 PWs) bands (ev): -2.7661 -2.7661 -0.5188 -0.5188 3.4255 3.4255 5.4503 5.4503 7.3234 7.3234 7.8149 7.8149 11.0263 11.0263 13.1684 13.1684 17.1583 17.1583 18.7388 18.7388 k = 0.2961 0.7182 0.1251 ( 447 PWs) bands (ev): -2.7369 -2.7369 -0.5341 -0.5341 3.4605 3.4605 5.3493 5.3493 7.1912 7.1912 7.7661 7.7661 11.1758 11.1758 13.3036 13.3036 17.2943 17.2943 18.8163 18.8163 k = 0.2964 0.7188 0.1360 ( 447 PWs) bands (ev): -2.7059 -2.7059 -0.5515 -0.5515 3.4974 3.4974 5.2541 5.2541 7.0605 7.0605 7.7093 7.7093 11.3324 11.3324 13.4361 13.4361 17.4335 17.4335 18.8951 18.8951 k = 0.2966 0.7194 0.1469 ( 449 PWs) bands (ev): -2.6731 -2.6731 -0.5708 -0.5708 3.5362 3.5362 5.1648 5.1648 6.9321 6.9321 7.6452 7.6452 11.4949 11.4949 13.5657 13.5657 17.5751 17.5751 18.9741 18.9741 k = 0.2968 0.7200 0.1578 ( 449 PWs) bands (ev): -2.6386 -2.6386 -0.5923 -0.5923 3.5766 3.5766 5.0816 5.0816 6.8066 6.8066 7.5749 7.5749 11.6622 11.6622 13.6922 13.6922 17.7184 17.7184 19.0523 19.0523 k = 0.2971 0.7206 0.1686 ( 449 PWs) bands (ev): -2.6024 -2.6024 -0.6160 -0.6160 3.6186 3.6186 5.0048 5.0048 6.6842 6.6842 7.4994 7.4994 11.8331 11.8331 13.8154 13.8154 17.8624 17.8624 19.1284 19.1284 k = 0.2973 0.7212 0.1795 ( 445 PWs) bands (ev): -2.5645 -2.5645 -0.6420 -0.6420 3.6622 3.6622 4.9344 4.9344 6.5654 6.5654 7.4196 7.4196 12.0070 12.0070 13.9350 13.9350 18.0065 18.0065 19.2010 19.2010 k = 0.2976 0.7217 0.1904 ( 445 PWs) bands (ev): -2.5250 -2.5250 -0.6705 -0.6705 3.7069 3.7069 4.8705 4.8705 6.4505 6.4505 7.3363 7.3363 12.1824 12.1824 14.0505 14.0505 18.1487 18.1487 19.2683 19.2683 k = 0.2978 0.7223 0.2013 ( 448 PWs) bands (ev): -2.4841 -2.4841 -0.7013 -0.7013 3.7525 3.7525 4.8132 4.8132 6.3397 6.3397 7.2501 7.2501 12.3588 12.3588 14.1618 14.1618 18.2874 18.2874 19.3287 19.3287 k = 0.2980 0.7229 0.2122 ( 444 PWs) bands (ev): -2.4417 -2.4417 -0.7347 -0.7347 3.7990 3.7990 4.7627 4.7627 6.2338 6.2338 7.1619 7.1619 12.5353 12.5353 14.2692 14.2692 18.4246 18.4246 19.3828 19.3828 k = 0.2983 0.7235 0.2231 ( 442 PWs) bands (ev): -2.3980 -2.3980 -0.7705 -0.7705 3.8459 3.8459 4.7188 4.7188 6.1330 6.1330 7.0722 7.0722 12.7111 12.7111 14.3713 14.3713 18.5529 18.5529 19.4257 19.4257 k = 0.2985 0.7241 0.2340 ( 443 PWs) bands (ev): -2.3530 -2.3530 -0.8088 -0.8088 3.8927 3.8927 4.6815 4.6815 6.0377 6.0377 6.9815 6.9815 12.8855 12.8855 14.4680 14.4680 18.6733 18.6733 19.4578 19.4578 k = 0.2988 0.7247 0.2448 ( 443 PWs) bands (ev): -2.3069 -2.3069 -0.8496 -0.8496 3.9392 3.9392 4.6508 4.6508 5.9487 5.9487 6.8904 6.8904 13.0575 13.0575 14.5591 14.5591 18.7809 18.7810 19.4789 19.4789 k = 0.2990 0.7253 0.2557 ( 441 PWs) bands (ev): -2.2596 -2.2596 -0.8926 -0.8926 3.9846 3.9846 4.6265 4.6265 5.8665 5.8665 6.7993 6.7993 13.2268 13.2268 14.6441 14.6441 18.8753 18.8753 19.4892 19.4892 k = 0.2993 0.7258 0.2666 ( 441 PWs) bands (ev): -2.2114 -2.2114 -0.9380 -0.9380 4.0283 4.0283 4.6084 4.6084 5.7920 5.7920 6.7087 6.7087 13.3917 13.3917 14.7223 14.7223 18.9513 18.9513 19.4884 19.4884 k = 0.2995 0.7264 0.2775 ( 441 PWs) bands (ev): -2.1624 -2.1624 -0.9855 -0.9855 4.0697 4.0697 4.5963 4.5963 5.7260 5.7260 6.6190 6.6190 13.5516 13.5516 14.7932 14.7932 19.0084 19.0084 19.4778 19.4778 k = 0.2997 0.7270 0.2884 ( 441 PWs) bands (ev): -2.1125 -2.1125 -1.0350 -1.0350 4.1078 4.1078 4.5899 4.5899 5.6694 5.6694 6.5308 6.5308 13.7057 13.7057 14.8560 14.8560 19.0466 19.0466 19.4587 19.4587 k = 0.3000 0.7276 0.2993 ( 440 PWs) bands (ev): -2.0621 -2.0621 -1.0864 -1.0864 4.1418 4.1418 4.5888 4.5888 5.6234 5.6234 6.4445 6.4445 13.8529 13.8529 14.9100 14.9100 19.0674 19.0674 19.4325 19.4325 k = 0.3002 0.7282 0.3102 ( 442 PWs) bands (ev): -2.0112 -2.0112 -1.1396 -1.1396 4.1709 4.1709 4.5923 4.5923 5.5886 5.5886 6.3605 6.3605 13.9921 13.9921 14.9541 14.9541 19.0737 19.0737 19.4012 19.4012 k = 0.3005 0.7288 0.3210 ( 438 PWs) bands (ev): -1.9599 -1.9599 -1.1943 -1.1943 4.1946 4.1946 4.6001 4.6001 5.5661 5.5661 6.2798 6.2798 14.1227 14.1227 14.9878 14.9878 19.0699 19.0699 19.3678 19.3678 k = 0.3007 0.7294 0.3319 ( 439 PWs) bands (ev): -1.9084 -1.9084 -1.2504 -1.2504 4.2124 4.2124 4.6111 4.6111 5.5562 5.5562 6.2029 6.2029 14.2425 14.2425 15.0096 15.0096 19.0590 19.0590 19.3325 19.3325 k = 0.3009 0.7299 0.3428 ( 439 PWs) bands (ev): -1.8569 -1.8569 -1.3077 -1.3077 4.2243 4.2243 4.6247 4.6247 5.5591 5.5591 6.1309 6.1309 14.3508 14.3508 15.0188 15.0188 19.0449 19.0449 19.2986 19.2986 k = 0.3012 0.7305 0.3537 ( 441 PWs) bands (ev): -1.8055 -1.8055 -1.3660 -1.3660 4.2307 4.2307 4.6398 4.6398 5.5742 5.5742 6.0647 6.0647 14.4462 14.4462 15.0147 15.0147 19.0310 19.0310 19.2681 19.2681 k = 0.3012 0.7305 0.3537 ( 441 PWs) bands (ev): -1.8055 -1.8055 -1.3660 -1.3660 4.2307 4.2307 4.6398 4.6398 5.5742 5.5742 6.0647 6.0647 14.4462 14.4462 15.0147 15.0147 19.0310 19.0310 19.2681 19.2681 k = 0.2993 0.7258 0.3622 ( 439 PWs) bands (ev): -1.7508 -1.7508 -1.3822 -1.3822 4.2090 4.2090 4.6459 4.6459 5.6253 5.6253 6.0166 6.0166 14.4775 14.4775 14.9788 14.9788 18.9416 18.9416 19.1654 19.1654 k = 0.2973 0.7212 0.3707 ( 439 PWs) bands (ev): -1.6964 -1.6964 -1.4011 -1.4011 4.1890 4.1890 4.6414 4.6414 5.6797 5.6797 5.9881 5.9881 14.5007 14.5007 14.9344 14.9344 18.8530 18.8530 19.0654 19.0654 k = 0.2954 0.7165 0.3791 ( 439 PWs) bands (ev): -1.6422 -1.6422 -1.4227 -1.4227 4.1707 4.1707 4.6251 4.6251 5.7371 5.7371 5.9804 5.9804 14.5157 14.5157 14.8818 14.8818 18.7667 18.7667 18.9688 18.9688 k = 0.2935 0.7118 0.3876 ( 441 PWs) bands (ev): -1.5882 -1.5882 -1.4469 -1.4469 4.1541 4.1541 4.5969 4.5969 5.7976 5.7976 5.9932 5.9932 14.5220 14.5220 14.8214 14.8214 18.6834 18.6834 18.8762 18.8762 k = 0.2915 0.7071 0.3961 ( 443 PWs) bands (ev): -1.5344 -1.5344 -1.4737 -1.4737 4.1394 4.1394 4.5581 4.5581 5.8616 5.8616 6.0249 6.0249 14.5191 14.5191 14.7543 14.7543 18.6041 18.6041 18.7882 18.7882 k = 0.2896 0.7024 0.4046 ( 441 PWs) bands (ev): -1.5033 -1.5033 -1.4805 -1.4805 4.1267 4.1267 4.5106 4.5106 5.9298 5.9298 6.0727 6.0727 14.5053 14.5053 14.6823 14.6823 18.5297 18.5297 18.7051 18.7051 k = 0.2877 0.6977 0.4131 ( 441 PWs) bands (ev): -1.5352 -1.5352 -1.4271 -1.4271 4.1158 4.1158 4.4566 4.4566 6.0031 6.0031 6.1332 6.1332 14.4765 14.4765 14.6101 14.6101 18.4595 18.4595 18.6270 18.6270 k = 0.2857 0.6931 0.4215 ( 441 PWs) bands (ev): -1.5696 -1.5696 -1.3737 -1.3737 4.1068 4.1068 4.3982 4.3982 6.0817 6.0817 6.2039 6.2039 14.4241 14.4241 14.5467 14.5467 18.3943 18.3943 18.5540 18.5540 k = 0.2838 0.6884 0.4300 ( 441 PWs) bands (ev): -1.6065 -1.6065 -1.3205 -1.3205 4.0994 4.0994 4.3375 4.3375 6.1658 6.1658 6.2826 6.2826 14.3447 14.3447 14.4963 14.4963 18.3341 18.3341 18.4860 18.4860 k = 0.2838 0.6884 0.4300 ( 441 PWs) bands (ev): -1.6065 -1.6065 -1.3205 -1.3205 4.0994 4.0994 4.3375 4.3375 6.1658 6.1658 6.2826 6.2826 14.3447 14.3447 14.4963 14.4963 18.3341 18.3341 18.4860 18.4860 k = 0.2796 0.6782 0.4300 ( 439 PWs) bands (ev): -1.5833 -1.5833 -1.3081 -1.3081 4.0821 4.0821 4.2823 4.2823 6.2553 6.2553 6.3750 6.3750 14.2887 14.2887 14.4345 14.4345 18.1822 18.1822 18.3317 18.3317 k = 0.2755 0.6681 0.4300 ( 439 PWs) bands (ev): -1.5671 -1.5671 -1.3034 -1.3034 4.0717 4.0717 4.2378 4.2378 6.3474 6.3474 6.4741 6.4741 14.2277 14.2277 14.3686 14.3686 18.0350 18.0350 18.1820 18.1820 k = 0.2713 0.6580 0.4300 ( 439 PWs) bands (ev): -1.5583 -1.5583 -1.3065 -1.3065 4.0696 4.0696 4.2046 4.2046 6.4422 6.4422 6.5777 6.5777 14.1622 14.1622 14.2990 14.2990 17.8928 17.8928 18.0373 18.0373 k = 0.2671 0.6479 0.4300 ( 439 PWs) bands (ev): -1.5571 -1.5571 -1.3177 -1.3177 4.0767 4.0767 4.1836 4.1836 6.5397 6.5397 6.6842 6.6842 14.0925 14.0925 14.2257 14.2257 17.7554 17.7554 17.8975 17.8975 k = 0.2629 0.6378 0.4300 ( 435 PWs) bands (ev): -1.5636 -1.5636 -1.3369 -1.3369 4.0938 4.0938 4.1754 4.1754 6.6397 6.6397 6.7927 6.7927 14.0188 14.0188 14.1492 14.1492 17.6239 17.6239 17.7646 17.7646 k = 0.2588 0.6276 0.4300 ( 437 PWs) bands (ev): -1.5780 -1.5780 -1.3640 -1.3640 4.1208 4.1208 4.1803 4.1803 6.7413 6.7413 6.9023 6.9023 13.9416 13.9416 14.0694 14.0694 17.4975 17.4975 17.6353 17.6353 k = 0.2546 0.6175 0.4300 ( 437 PWs) bands (ev): -1.6001 -1.6001 -1.3988 -1.3988 4.1571 4.1571 4.1996 4.1996 6.8444 6.8444 7.0125 7.0125 13.8611 13.8611 13.9868 13.9868 17.3772 17.3772 17.5124 17.5124 k = 0.2504 0.6074 0.4300 ( 439 PWs) bands (ev): -1.6298 -1.6298 -1.4410 -1.4410 4.2005 4.2005 4.2353 4.2353 6.9485 6.9485 7.1228 7.1228 13.7777 13.7777 13.9016 13.9016 17.2623 17.2623 17.3936 17.3936 k = 0.2462 0.5973 0.4300 ( 439 PWs) bands (ev): -1.6667 -1.6667 -1.4901 -1.4901 4.2494 4.2494 4.2886 4.2886 7.0532 7.0532 7.2328 7.2328 13.6918 13.6918 13.8141 13.8141 17.1545 17.1545 17.2831 17.2831 k = 0.2421 0.5871 0.4300 ( 439 PWs) bands (ev): -1.7104 -1.7104 -1.5456 -1.5456 4.3058 4.3058 4.3570 4.3570 7.1581 7.1581 7.3421 7.3421 13.6037 13.6037 13.7245 13.7245 17.0534 17.0534 17.1791 17.1791 k = 0.2379 0.5770 0.4300 ( 439 PWs) bands (ev): -1.7606 -1.7606 -1.6071 -1.6071 4.3719 4.3719 4.4375 4.4375 7.2626 7.2626 7.4504 7.4504 13.5136 13.5136 13.6331 13.6331 16.9589 16.9589 17.0814 17.0814 k = 0.2337 0.5669 0.4300 ( 439 PWs) bands (ev): -1.8167 -1.8167 -1.6739 -1.6739 4.4484 4.4484 4.5285 4.5285 7.3665 7.3665 7.5571 7.5571 13.4220 13.4220 13.5403 13.5403 16.8721 16.8721 16.9914 16.9914 k = 0.2295 0.5568 0.4300 ( 439 PWs) bands (ev): -1.8782 -1.8782 -1.7454 -1.7454 4.5351 4.5351 4.6293 4.6293 7.4693 7.4693 7.6619 7.6619 13.3290 13.3290 13.4462 13.4462 16.7929 16.7929 16.9089 16.9089 k = 0.2254 0.5466 0.4300 ( 437 PWs) bands (ev): -1.9445 -1.9445 -1.8212 -1.8212 4.6317 4.6317 4.7392 4.7392 7.5708 7.5708 7.7646 7.7646 13.2351 13.2351 13.3511 13.3511 16.7217 16.7217 16.8343 16.8343 k = 0.2212 0.5365 0.4300 ( 441 PWs) bands (ev): -2.0151 -2.0151 -1.9007 -1.9007 4.7376 4.7376 4.8575 4.8575 7.6703 7.6703 7.8647 7.8647 13.1402 13.1402 13.2552 13.2552 16.6578 16.6578 16.7667 16.7667 k = 0.2170 0.5264 0.4300 ( 443 PWs) bands (ev): -2.0895 -2.0895 -1.9832 -1.9832 4.8525 4.8525 4.9838 4.9838 7.7676 7.7676 7.9619 7.9619 13.0448 13.0448 13.1589 13.1589 16.6025 16.6025 16.7079 16.7079 k = 0.2129 0.5163 0.4300 ( 442 PWs) bands (ev): -2.1670 -2.1670 -2.0683 -2.0683 4.9758 4.9758 5.1176 5.1176 7.8624 7.8624 8.0559 8.0559 12.9492 12.9492 13.0623 13.0623 16.5571 16.5571 16.6584 16.6584 k = 0.2087 0.5062 0.4300 ( 442 PWs) bands (ev): -2.2472 -2.2472 -2.1556 -2.1556 5.1070 5.1070 5.2583 5.2583 7.9543 7.9543 8.1463 8.1463 12.8534 12.8534 12.9656 12.9656 16.5208 16.5208 16.6178 16.6178 k = 0.2045 0.4960 0.4300 ( 441 PWs) bands (ev): -2.3297 -2.3297 -2.2446 -2.2446 5.2455 5.2455 5.4056 5.4056 8.0431 8.0431 8.2328 8.2328 12.7576 12.7576 12.8691 12.8691 16.4941 16.4941 16.5868 16.5868 k = 0.2003 0.4859 0.4300 ( 441 PWs) bands (ev): -2.4140 -2.4140 -2.3348 -2.3348 5.3910 5.3910 5.5591 5.5591 8.1283 8.1283 8.3151 8.3151 12.6621 12.6621 12.7730 12.7730 16.4772 16.4772 16.5653 16.5653 k = 0.1962 0.4758 0.4300 ( 441 PWs) bands (ev): -2.4997 -2.4997 -2.4260 -2.4260 5.5430 5.5430 5.7182 5.7182 8.2097 8.2097 8.3929 8.3929 12.5670 12.5670 12.6772 12.6772 16.4706 16.4706 16.5538 16.5538 k = 0.1920 0.4657 0.4300 ( 437 PWs) bands (ev): -2.5865 -2.5865 -2.5178 -2.5178 5.7012 5.7012 5.8827 5.8827 8.2874 8.2874 8.4662 8.4662 12.4725 12.4725 12.5823 12.5823 16.4749 16.4749 16.5534 16.5534 k = 0.1878 0.4555 0.4300 ( 437 PWs) bands (ev): -2.6739 -2.6739 -2.6099 -2.6099 5.8651 5.8651 6.0522 6.0522 8.3606 8.3606 8.5344 8.5344 12.3787 12.3787 12.4882 12.4882 16.4891 16.4891 16.5622 16.5622 k = 0.1836 0.4454 0.4300 ( 437 PWs) bands (ev): -2.7618 -2.7618 -2.7020 -2.7020 6.0342 6.0342 6.2263 6.2263 8.4295 8.4295 8.5976 8.5976 12.2858 12.2858 12.3951 12.3951 16.5140 16.5140 16.5815 16.5815 k = 0.1795 0.4353 0.4300 ( 436 PWs) bands (ev): -2.8497 -2.8497 -2.7939 -2.7939 6.2084 6.2084 6.4045 6.4045 8.4941 8.4941 8.6557 8.6557 12.1939 12.1939 12.3033 12.3033 16.5500 16.5500 16.6115 16.6115 k = 0.1753 0.4252 0.4300 ( 438 PWs) bands (ev): -2.9375 -2.9375 -2.8854 -2.8854 6.3871 6.3871 6.5866 6.5866 8.5543 8.5543 8.7088 8.7088 12.1031 12.1031 12.2126 12.2126 16.5957 16.5957 16.6519 16.6519 k = 0.1711 0.4150 0.4300 ( 440 PWs) bands (ev): -3.0249 -3.0249 -2.9761 -2.9761 6.5700 6.5700 6.7720 6.7720 8.6102 8.6102 8.7568 8.7568 12.0134 12.0134 12.1234 12.1234 16.6515 16.6515 16.7027 16.7027 k = 0.1669 0.4049 0.4300 ( 436 PWs) bands (ev): -3.1118 -3.1118 -3.0660 -3.0660 6.7568 6.7568 6.9602 6.9602 8.6624 8.6624 8.8001 8.8001 11.9251 11.9251 12.0360 12.0360 16.7214 16.7214 16.7658 16.7658 k = 0.1628 0.3948 0.4300 ( 434 PWs) bands (ev): -3.1978 -3.1978 -3.1550 -3.1550 6.9474 6.9474 7.1505 7.1505 8.7106 8.7106 8.8390 8.8390 11.8383 11.8383 11.9504 11.9504 16.8001 16.8001 16.8388 16.8388 k = 0.1586 0.3847 0.4300 ( 434 PWs) bands (ev): -3.2829 -3.2829 -3.2427 -3.2427 7.1406 7.1406 7.3422 7.3422 8.7559 8.7559 8.8740 8.8740 11.7528 11.7528 11.8666 11.8666 16.8907 16.8907 16.9228 16.9228 k = 0.1544 0.3746 0.4300 ( 434 PWs) bands (ev): -3.3669 -3.3669 -3.3292 -3.3292 7.3361 7.3361 7.5338 7.5338 8.7985 8.7985 8.9060 8.9060 11.6691 11.6691 11.7850 11.7850 16.9899 16.9899 17.0165 17.0165 k = 0.1502 0.3644 0.4300 ( 435 PWs) bands (ev): -3.4497 -3.4497 -3.4142 -3.4142 7.5331 7.5331 7.7236 7.7236 8.8392 8.8392 8.9369 8.9369 11.5871 11.5871 11.7058 11.7058 17.0984 17.0984 17.1202 17.1202 k = 0.1461 0.3543 0.4300 ( 433 PWs) bands (ev): -3.5310 -3.5310 -3.4977 -3.4977 7.7309 7.7309 7.9091 7.9091 8.8784 8.8784 8.9701 8.9701 11.5070 11.5070 11.6293 11.6293 17.2171 17.2171 17.2339 17.2339 k = 0.1419 0.3442 0.4300 ( 433 PWs) bands (ev): -3.6109 -3.6109 -3.5796 -3.5796 7.9267 7.9267 8.0863 8.0863 8.9153 8.9153 9.0121 9.0121 11.4287 11.4287 11.5555 11.5555 17.3443 17.3443 17.3567 17.3567 k = 0.1377 0.3341 0.4300 ( 433 PWs) bands (ev): -3.6892 -3.6892 -3.6597 -3.6597 8.1171 8.1171 8.2499 8.2499 8.9496 8.9496 9.0723 9.0723 11.3524 11.3524 11.4849 11.4849 17.4798 17.4798 17.4884 17.4884 k = 0.1336 0.3239 0.4300 ( 433 PWs) bands (ev): -3.7658 -3.7658 -3.7381 -3.7381 8.2935 8.2935 8.3959 8.3959 8.9851 8.9851 9.1592 9.1592 11.2784 11.2784 11.4180 11.4180 17.6228 17.6228 17.6285 17.6285 k = 0.1294 0.3138 0.4300 ( 433 PWs) bands (ev): -3.8407 -3.8407 -3.8146 -3.8146 8.4364 8.4364 8.5279 8.5279 9.0322 9.0322 9.2777 9.2777 11.2066 11.2066 11.3553 11.3553 17.7723 17.7723 17.7761 17.7761 k = 0.1252 0.3037 0.4300 ( 431 PWs) bands (ev): -3.9136 -3.9136 -3.8891 -3.8891 8.5307 8.5307 8.6449 8.6449 9.1079 9.1079 9.4270 9.4270 11.1376 11.1376 11.2979 11.2979 17.9275 17.9275 17.9305 17.9305 k = 0.1210 0.2936 0.4300 ( 429 PWs) bands (ev): -3.9847 -3.9847 -3.9616 -3.9616 8.5889 8.5889 8.7257 8.7257 9.2256 9.2256 9.6000 9.6000 11.0715 11.0715 11.2467 11.2467 18.0869 18.0869 18.0902 18.0902 k = 0.1169 0.2834 0.4300 ( 426 PWs) bands (ev): -4.0538 -4.0538 -4.0320 -4.0320 8.6249 8.6249 8.7687 8.7687 9.3786 9.3786 9.7896 9.7896 11.0094 11.0094 11.2036 11.2036 18.2466 18.2466 18.2532 18.2532 k = 0.1127 0.2733 0.4300 ( 428 PWs) bands (ev): -4.1208 -4.1208 -4.1003 -4.1003 8.6466 8.6466 8.7875 8.7875 9.5482 9.5482 9.9880 9.9880 10.9524 10.9524 11.1714 11.1714 18.4022 18.4022 18.4151 18.4151 k = 0.1085 0.2632 0.4300 ( 428 PWs) bands (ev): -4.1857 -4.1857 -4.1665 -4.1665 8.6588 8.6588 8.7929 8.7929 9.7195 9.7195 10.1879 10.1879 10.9044 10.9044 11.1542 11.1542 18.5488 18.5488 18.5704 18.5704 k = 0.1043 0.2531 0.4300 ( 428 PWs) bands (ev): -4.2485 -4.2485 -4.2304 -4.2304 8.6642 8.6642 8.7904 8.7904 9.8805 9.8805 10.3758 10.3758 10.8762 10.8762 11.1583 11.1583 18.6760 18.6760 18.7068 18.7068 k = 0.1002 0.2430 0.4300 ( 427 PWs) bands (ev): -4.3091 -4.3091 -4.2921 -4.2921 8.6649 8.6649 8.7830 8.7830 10.0204 10.0204 10.5169 10.5169 10.9009 10.9009 11.1920 11.1920 18.7722 18.7722 18.8074 18.8074 k = 0.0960 0.2328 0.4300 ( 429 PWs) bands (ev): -4.3675 -4.3675 -4.3514 -4.3514 8.6618 8.6618 8.7722 8.7722 10.1297 10.1297 10.5666 10.5666 11.0204 11.0204 11.2638 11.2638 18.8307 18.8307 18.8602 18.8602 k = 0.0918 0.2227 0.4300 ( 429 PWs) bands (ev): -4.4236 -4.4236 -4.4085 -4.4085 8.6561 8.6561 8.7591 8.7591 10.2039 10.2039 10.5539 10.5539 11.2037 11.2037 11.3785 11.3785 18.8544 18.8544 18.8729 18.8729 k = 0.0876 0.2126 0.4300 ( 431 PWs) bands (ev): -4.4774 -4.4774 -4.4632 -4.4632 8.6483 8.6483 8.7443 8.7443 10.2457 10.2457 10.5199 10.5199 11.4069 11.4069 11.5348 11.5348 18.8526 18.8526 18.8609 18.8609 k = 0.0835 0.2025 0.4300 ( 434 PWs) bands (ev): -4.5288 -4.5288 -4.5156 -4.5156 8.6389 8.6389 8.7285 8.7285 10.2625 10.2625 10.4793 10.4793 11.6144 11.6144 11.7252 11.7252 18.8331 18.8331 18.8375 18.8375 k = 0.0793 0.1923 0.4300 ( 434 PWs) bands (ev): -4.5779 -4.5779 -4.5655 -4.5655 8.6285 8.6285 8.7119 8.7119 10.2624 10.2624 10.4371 10.4371 11.8241 11.8241 11.9370 11.9370 18.8023 18.8023 18.8105 18.8105 k = 0.0751 0.1822 0.4300 ( 434 PWs) bands (ev): -4.6245 -4.6245 -4.6130 -4.6130 8.6173 8.6173 8.6948 8.6948 10.2517 10.2517 10.3952 10.3952 12.0379 12.0379 12.1593 12.1593 18.7677 18.7677 18.7793 18.7793 k = 0.0710 0.1721 0.4300 ( 438 PWs) bands (ev): -4.6688 -4.6688 -4.6581 -4.6581 8.6055 8.6055 8.6775 8.6775 10.2343 10.2343 10.3543 10.3543 12.2557 12.2557 12.3859 12.3859 18.7314 18.7314 18.7458 18.7458 k = 0.0668 0.1620 0.4300 ( 438 PWs) bands (ev): -4.7106 -4.7106 -4.7006 -4.7006 8.5936 8.5936 8.6603 8.6603 10.2133 10.2133 10.3151 10.3151 12.4761 12.4761 12.6136 12.6136 18.6958 18.6958 18.7115 18.7115 k = 0.0626 0.1518 0.4300 ( 440 PWs) bands (ev): -4.7500 -4.7500 -4.7407 -4.7407 8.5816 8.5816 8.6432 8.6432 10.1904 10.1904 10.2775 10.2775 12.6977 12.6977 12.8403 12.8403 18.6611 18.6611 18.6773 18.6773 k = 0.0584 0.1417 0.4300 ( 438 PWs) bands (ev): -4.7868 -4.7868 -4.7783 -4.7783 8.5698 8.5698 8.6266 8.6266 10.1669 10.1669 10.2421 10.2421 12.9191 12.9191 13.0646 13.0646 18.6276 18.6276 18.6439 18.6439 k = 0.0543 0.1316 0.4300 ( 436 PWs) bands (ev): -4.8212 -4.8212 -4.8134 -4.8134 8.5584 8.5584 8.6105 8.6105 10.1434 10.1434 10.2088 10.2088 13.1383 13.1383 13.2850 13.2850 18.5977 18.5977 18.6119 18.6119 k = 0.0501 0.1215 0.4300 ( 436 PWs) bands (ev): -4.8531 -4.8531 -4.8459 -4.8459 8.5474 8.5474 8.5949 8.5949 10.1207 10.1207 10.1777 10.1777 13.3541 13.3541 13.5002 13.5002 18.5675 18.5675 18.5812 18.5812 k = 0.0459 0.1114 0.4300 ( 432 PWs) bands (ev): -4.8824 -4.8824 -4.8759 -4.8759 8.5370 8.5370 8.5801 8.5801 10.0991 10.0991 10.1488 10.1488 13.5651 13.5651 13.7089 13.7089 18.5402 18.5402 18.5529 18.5529 k = 0.0417 0.1012 0.4300 ( 430 PWs) bands (ev): -4.9093 -4.9093 -4.9034 -4.9034 8.5274 8.5274 8.5662 8.5662 10.0790 10.0790 10.1223 10.1223 13.7694 13.7694 13.9093 13.9093 18.5142 18.5142 18.5260 18.5260 k = 0.0376 0.0911 0.4300 ( 430 PWs) bands (ev): -4.9335 -4.9335 -4.9283 -4.9283 8.5185 8.5185 8.5531 8.5531 10.0604 10.0604 10.0979 10.0979 13.9655 13.9655 14.0996 14.0996 18.4901 18.4901 18.5009 18.5009 k = 0.0334 0.0810 0.4300 ( 428 PWs) bands (ev): -4.9552 -4.9552 -4.9506 -4.9506 8.5106 8.5106 8.5411 8.5411 10.0438 10.0438 10.0760 10.0760 14.1515 14.1515 14.2779 14.2779 18.4685 18.4685 18.4798 18.4798 k = 0.0292 0.0709 0.4300 ( 428 PWs) bands (ev): -4.9744 -4.9744 -4.9703 -4.9703 8.5037 8.5037 8.5302 8.5302 10.0289 10.0289 10.0564 10.0564 14.3252 14.3252 14.4421 14.4421 18.4490 18.4490 18.4591 18.4591 k = 0.0250 0.0607 0.4300 ( 426 PWs) bands (ev): -4.9909 -4.9909 -4.9875 -4.9875 8.4977 8.4977 8.5204 8.5204 10.0161 10.0161 10.0391 10.0391 14.4847 14.4847 14.5899 14.5899 18.4308 18.4308 18.4409 18.4409 k = 0.0209 0.0506 0.4300 ( 424 PWs) bands (ev): -5.0049 -5.0049 -5.0020 -5.0020 8.4929 8.4929 8.5117 8.5117 10.0055 10.0055 10.0243 10.0243 14.6271 14.6271 14.7189 14.7189 18.4162 18.4162 18.4248 18.4248 k = 0.0167 0.0405 0.4300 ( 424 PWs) bands (ev): -5.0163 -5.0163 -5.0140 -5.0140 8.4892 8.4892 8.5042 8.5042 9.9970 9.9970 10.0118 10.0118 14.7502 14.7502 14.8265 14.8265 18.4042 18.4042 18.4113 18.4113 k = 0.0125 0.0304 0.4300 ( 424 PWs) bands (ev): -5.0251 -5.0251 -5.0234 -5.0234 8.4867 8.4867 8.4979 8.4979 9.9907 9.9907 10.0017 10.0017 14.8515 14.8515 14.9106 14.9106 18.3949 18.3949 18.4003 18.4003 k = 0.0083 0.0202 0.4300 ( 426 PWs) bands (ev): -5.0313 -5.0313 -5.0302 -5.0302 8.4854 8.4854 8.4929 8.4929 9.9866 9.9866 9.9940 9.9940 14.9288 14.9288 14.9692 14.9692 18.3884 18.3884 18.3921 18.3921 k = 0.0042 0.0101 0.4300 ( 424 PWs) bands (ev): -5.0349 -5.0349 -5.0344 -5.0344 8.4854 8.4854 8.4891 8.4891 9.9850 9.9850 9.9886 9.9886 14.9803 14.9803 15.0008 15.0008 18.3851 18.3851 18.3870 18.3870 k = 0.0000 0.0000 0.4300 ( 424 PWs) bands (ev): -5.0360 -5.0360 -5.0360 -5.0360 8.4866 8.4866 8.4866 8.4866 9.9856 9.9856 9.9856 9.9856 15.0045 15.0045 15.0045 15.0045 18.3845 18.3845 18.3845 18.3845 k = 0.0000 0.0000 0.4300 ( 424 PWs) bands (ev): -5.0360 -5.0360 -5.0360 -5.0360 8.4866 8.4866 8.4866 8.4866 9.9856 9.9856 9.9856 9.9856 15.0045 15.0045 15.0045 15.0045 18.3845 18.3845 18.3845 18.3845 k = 0.0102-0.0042 0.4300 ( 424 PWs) bands (ev): -5.0350 -5.0350 -5.0349 -5.0349 8.4612 8.4612 8.4632 8.4632 10.0069 10.0069 10.0099 10.0099 15.0028 15.0028 15.0044 15.0044 18.3897 18.3897 18.3900 18.3900 k = 0.0204-0.0084 0.4300 ( 426 PWs) bands (ev): -5.0320 -5.0320 -5.0319 -5.0319 8.3912 8.3912 8.3948 8.3948 10.0698 10.0698 10.0754 10.0754 14.9992 14.9992 15.0024 15.0024 18.4054 18.4054 18.4060 18.4060 k = 0.0306-0.0126 0.4300 ( 428 PWs) bands (ev): -5.0270 -5.0270 -5.0269 -5.0269 8.2860 8.2860 8.2907 8.2907 10.1648 10.1648 10.1725 10.1725 14.9938 14.9938 14.9986 14.9986 18.4310 18.4310 18.4319 18.4319 k = 0.0408-0.0168 0.4300 ( 432 PWs) bands (ev): -5.0200 -5.0200 -5.0199 -5.0199 8.1555 8.1555 8.1608 8.1608 10.2821 10.2821 10.2914 10.2914 14.9866 14.9866 14.9930 14.9930 18.4672 18.4672 18.4684 18.4684 k = 0.0510-0.0210 0.4300 ( 436 PWs) bands (ev): -5.0110 -5.0110 -5.0110 -5.0110 8.0078 8.0078 8.0135 8.0135 10.4137 10.4137 10.4244 10.4244 14.9777 14.9777 14.9856 14.9856 18.5144 18.5144 18.5159 18.5159 k = 0.0612-0.0252 0.4300 ( 436 PWs) bands (ev): -5.0001 -5.0001 -5.0000 -5.0000 7.8484 7.8484 7.8542 7.8542 10.5540 10.5540 10.5658 10.5658 14.9671 14.9671 14.9765 14.9765 18.5728 18.5728 18.5746 18.5746 k = 0.0714-0.0294 0.4300 ( 438 PWs) bands (ev): -4.9872 -4.9872 -4.9871 -4.9871 7.6809 7.6809 7.6867 7.6867 10.6991 10.6991 10.7120 10.7120 14.9548 14.9548 14.9658 14.9658 18.6412 18.6412 18.6431 18.6431 k = 0.0816-0.0337 0.4300 ( 436 PWs) bands (ev): -4.9724 -4.9724 -4.9723 -4.9723 7.5078 7.5078 7.5136 7.5136 10.8466 10.8466 10.8605 10.8605 14.9411 14.9411 14.9535 14.9535 18.7206 18.7206 18.7227 18.7227 k = 0.0918-0.0379 0.4300 ( 436 PWs) bands (ev): -4.9557 -4.9557 -4.9555 -4.9555 7.3310 7.3310 7.3366 7.3366 10.9945 10.9945 11.0094 11.0094 14.9259 14.9259 14.9398 14.9398 18.8101 18.8101 18.8124 18.8124 k = 0.1020-0.0421 0.4300 ( 436 PWs) bands (ev): -4.9371 -4.9371 -4.9369 -4.9369 7.1517 7.1517 7.1572 7.1572 11.1417 11.1417 11.1575 11.1575 14.9093 14.9093 14.9246 14.9246 18.9097 18.9097 18.9121 18.9121 k = 0.1122-0.0463 0.4300 ( 436 PWs) bands (ev): -4.9166 -4.9166 -4.9165 -4.9165 6.9709 6.9709 6.9762 6.9762 11.2873 11.2873 11.3040 11.3040 14.8914 14.8914 14.9082 14.9082 19.0192 19.0192 19.0217 19.0217 k = 0.1224-0.0505 0.4300 ( 434 PWs) bands (ev): -4.8944 -4.8944 -4.8942 -4.8942 6.7892 6.7892 6.7943 6.7943 11.4306 11.4306 11.4483 11.4483 14.8724 14.8724 14.8906 14.8906 19.1382 19.1382 19.1408 19.1408 k = 0.1327-0.0547 0.4300 ( 434 PWs) bands (ev): -4.8704 -4.8704 -4.8702 -4.8702 6.6074 6.6074 6.6123 6.6123 11.5710 11.5710 11.5898 11.5898 14.8523 14.8523 14.8719 14.8719 19.2666 19.2666 19.2692 19.2692 k = 0.1429-0.0589 0.4300 ( 432 PWs) bands (ev): -4.8446 -4.8446 -4.8444 -4.8444 6.4259 6.4259 6.4306 6.4306 11.7084 11.7084 11.7282 11.7282 14.8312 14.8312 14.8522 14.8522 19.4048 19.4048 19.4074 19.4074 k = 0.1531-0.0631 0.4300 ( 432 PWs) bands (ev): -4.8172 -4.8172 -4.8169 -4.8169 6.2450 6.2450 6.2496 6.2496 11.8423 11.8423 11.8631 11.8631 14.8093 14.8093 14.8317 14.8317 19.5504 19.5504 19.5530 19.5530 k = 0.1633-0.0673 0.4300 ( 434 PWs) bands (ev): -4.7881 -4.7881 -4.7879 -4.7879 6.0651 6.0651 6.0695 6.0695 11.9725 11.9725 11.9944 11.9944 14.7867 14.7867 14.8105 14.8105 19.7031 19.7031 19.7058 19.7058 k = 0.1735-0.0715 0.4300 ( 436 PWs) bands (ev): -4.7575 -4.7575 -4.7573 -4.7573 5.8867 5.8867 5.8909 5.8909 12.0990 12.0990 12.1220 12.1220 14.7633 14.7633 14.7885 14.7885 19.8637 19.8637 19.8663 19.8663 k = 0.1837-0.0757 0.4300 ( 438 PWs) bands (ev): -4.7254 -4.7254 -4.7251 -4.7251 5.7099 5.7099 5.7140 5.7140 12.2217 12.2217 12.2459 12.2459 14.7396 14.7396 14.7662 14.7662 20.0300 20.0300 20.0325 20.0325 k = 0.1939-0.0799 0.4300 ( 440 PWs) bands (ev): -4.6918 -4.6918 -4.6916 -4.6916 5.5350 5.5350 5.5389 5.5389 12.3405 12.3405 12.3659 12.3659 14.7155 14.7155 14.7436 14.7436 20.2015 20.2015 20.2041 20.2041 k = 0.2041-0.0841 0.4300 ( 438 PWs) bands (ev): -4.6569 -4.6569 -4.6566 -4.6566 5.3625 5.3625 5.3662 5.3662 12.4555 12.4555 12.4822 12.4822 14.6912 14.6912 14.7208 14.7208 20.3782 20.3782 20.3807 20.3807 k = 0.2143-0.0883 0.4300 ( 440 PWs) bands (ev): -4.6208 -4.6208 -4.6205 -4.6205 5.1923 5.1923 5.1959 5.1959 12.5665 12.5665 12.5946 12.5946 14.6666 14.6666 14.6977 14.6977 20.5571 20.5571 20.5596 20.5596 k = 0.2245-0.0926 0.4300 ( 440 PWs) bands (ev): -4.5834 -4.5834 -4.5831 -4.5831 5.0249 5.0249 5.0283 5.0283 12.6738 12.6738 12.7034 12.7034 14.6422 14.6422 14.6749 14.6749 20.7364 20.7364 20.7391 20.7391 k = 0.2347-0.0968 0.4300 ( 440 PWs) bands (ev): -4.5450 -4.5450 -4.5447 -4.5447 4.8603 4.8603 4.8636 4.8636 12.7773 12.7773 12.8084 12.8084 14.6179 14.6179 14.6523 14.6523 20.9145 20.9145 20.9173 20.9173 k = 0.2449-0.1010 0.4300 ( 440 PWs) bands (ev): -4.5057 -4.5057 -4.5053 -4.5053 4.6989 4.6989 4.7020 4.7020 12.8770 12.8770 12.9097 12.9097 14.5939 14.5939 14.6299 14.6299 21.0875 21.0875 21.0906 21.0906 k = 0.2551-0.1052 0.4300 ( 440 PWs) bands (ev): -4.4654 -4.4654 -4.4651 -4.4651 4.5408 4.5408 4.5438 4.5438 12.9730 12.9730 13.0074 13.0074 14.5702 14.5702 14.6081 14.6081 21.2471 21.2471 21.2518 21.2518 k = 0.2653-0.1094 0.4300 ( 442 PWs) bands (ev): -4.4245 -4.4245 -4.4242 -4.4242 4.3862 4.3862 4.3890 4.3890 13.0652 13.0652 13.1014 13.1014 14.5469 14.5469 14.5867 14.5867 21.3327 21.3327 21.3426 21.3426 k = 0.2755-0.1136 0.4300 ( 444 PWs) bands (ev): -4.3830 -4.3830 -4.3827 -4.3827 4.2352 4.2352 4.2380 4.2380 13.1537 13.1537 13.1919 13.1919 14.5243 14.5243 14.5661 14.5661 21.3055 21.3055 21.3145 21.3145 k = 0.2857-0.1178 0.4300 ( 444 PWs) bands (ev): -4.3411 -4.3411 -4.3407 -4.3407 4.0885 4.0885 4.0911 4.0911 13.2385 13.2385 13.2787 13.2787 14.5025 14.5025 14.5464 14.5464 21.2642 21.2642 21.2727 21.2727 k = 0.2959-0.1220 0.4300 ( 444 PWs) bands (ev): -4.2989 -4.2989 -4.2985 -4.2985 3.9459 3.9459 3.9484 3.9484 13.3195 13.3195 13.3619 13.3619 14.4816 14.4816 14.5277 14.5277 21.2222 21.2222 21.2306 21.2306 k = 0.3061-0.1262 0.4300 ( 442 PWs) bands (ev): -4.2565 -4.2565 -4.2562 -4.2562 3.8078 3.8078 3.8102 3.8102 13.3968 13.3968 13.4415 13.4415 14.4618 14.4618 14.5102 14.5102 21.1813 21.1813 21.1896 21.1896 k = 0.3163-0.1304 0.4300 ( 442 PWs) bands (ev): -4.2143 -4.2143 -4.2140 -4.2140 3.6744 3.6744 3.6767 3.6767 13.4699 13.4699 13.5171 13.5171 14.4431 14.4431 14.4940 14.4940 21.1420 21.1420 21.1502 21.1502 k = 0.3265-0.1346 0.4300 ( 444 PWs) bands (ev): -4.1724 -4.1724 -4.1721 -4.1721 3.5460 3.5460 3.5481 3.5481 13.5390 13.5390 13.5888 13.5888 14.4259 14.4259 14.4793 14.4793 21.1042 21.1042 21.1123 21.1123 k = 0.3367-0.1388 0.4300 ( 442 PWs) bands (ev): -4.1310 -4.1310 -4.1306 -4.1306 3.4228 3.4228 3.4248 3.4248 13.6039 13.6039 13.6562 13.6562 14.4104 14.4104 14.4664 14.4664 21.0693 21.0693 21.0773 21.0773 k = 0.3469-0.1430 0.4300 ( 442 PWs) bands (ev): -4.0902 -4.0902 -4.0899 -4.0899 3.3050 3.3050 3.3069 3.3069 13.6644 13.6644 13.7192 13.7192 14.3968 14.3968 14.4552 14.4552 21.0358 21.0358 21.0438 21.0438 k = 0.3571-0.1472 0.4300 ( 440 PWs) bands (ev): -4.0505 -4.0505 -4.0501 -4.0501 3.1931 3.1931 3.1948 3.1948 13.7202 13.7202 13.7774 13.7774 14.3855 14.3855 14.4462 14.4462 21.0047 21.0047 21.0125 21.0125 k = 0.3673-0.1515 0.4300 ( 440 PWs) bands (ev): -4.0119 -4.0119 -4.0115 -4.0115 3.0871 3.0871 3.0887 3.0887 13.7712 13.7712 13.8304 13.8304 14.3767 14.3767 14.4393 14.4393 20.9756 20.9756 20.9834 20.9834 k = 0.3776-0.1557 0.4300 ( 442 PWs) bands (ev): -3.9747 -3.9747 -3.9744 -3.9744 2.9873 2.9873 2.9888 2.9888 13.8171 13.8171 13.8777 13.8777 14.3709 14.3709 14.4347 14.4347 20.9486 20.9486 20.9562 20.9562 k = 0.3878-0.1599 0.4300 ( 438 PWs) bands (ev): -3.9392 -3.9392 -3.9389 -3.9389 2.8943 2.8943 2.8956 2.8956 13.8582 13.8582 13.9192 13.9192 14.3686 14.3686 14.4326 14.4326 20.9248 20.9248 20.9321 20.9321 k = 0.3980-0.1641 0.4300 ( 436 PWs) bands (ev): -3.9057 -3.9057 -3.9054 -3.9054 2.8081 2.8081 2.8093 2.8093 13.8938 13.8938 13.9540 13.9540 14.3697 14.3697 14.4328 14.4328 20.9034 20.9034 20.9104 20.9104 k = 0.4082-0.1683 0.4300 ( 436 PWs) bands (ev): -3.8743 -3.8743 -3.8741 -3.8741 2.7290 2.7290 2.7301 2.7301 13.9244 13.9244 13.9824 13.9824 14.3745 14.3745 14.4350 14.4350 20.8837 20.8837 20.8904 20.8904 k = 0.4184-0.1725 0.4300 ( 436 PWs) bands (ev): -3.8454 -3.8454 -3.8452 -3.8452 2.6574 2.6574 2.6584 2.6584 13.9502 13.9502 14.0044 14.0044 14.3825 14.3825 14.4390 14.4390 20.8663 20.8663 20.8726 20.8726 k = 0.4286-0.1767 0.4300 ( 438 PWs) bands (ev): -3.8193 -3.8193 -3.8191 -3.8191 2.5934 2.5934 2.5943 2.5943 13.9715 13.9715 14.0206 14.0206 14.3931 14.3931 14.4443 14.4443 20.8509 20.8509 20.8567 20.8567 k = 0.4388-0.1809 0.4300 ( 438 PWs) bands (ev): -3.7961 -3.7961 -3.7959 -3.7959 2.5375 2.5375 2.5382 2.5382 13.9890 13.9890 14.0318 14.0318 14.4054 14.4054 14.4501 14.4501 20.8381 20.8381 20.8434 20.8434 k = 0.4490-0.1851 0.4300 ( 440 PWs) bands (ev): -3.7760 -3.7760 -3.7758 -3.7758 2.4897 2.4897 2.4903 2.4903 14.0030 14.0030 14.0391 14.0391 14.4183 14.4183 14.4560 14.4560 20.8270 20.8270 20.8315 20.8315 k = 0.4592-0.1893 0.4300 ( 440 PWs) bands (ev): -3.7593 -3.7593 -3.7591 -3.7591 2.4503 2.4503 2.4508 2.4508 14.0142 14.0142 14.0432 14.0432 14.4309 14.4309 14.4611 14.4611 20.8186 20.8186 20.8224 20.8224 k = 0.4694-0.1935 0.4300 ( 440 PWs) bands (ev): -3.7461 -3.7461 -3.7460 -3.7460 2.4195 2.4195 2.4199 2.4199 14.0232 14.0232 14.0449 14.0449 14.4423 14.4423 14.4650 14.4650 20.8123 20.8123 20.8152 20.8152 k = 0.4796-0.1977 0.4300 ( 440 PWs) bands (ev): -3.7365 -3.7365 -3.7365 -3.7365 2.3974 2.3974 2.3976 2.3976 14.0303 14.0303 14.0447 14.0447 14.4520 14.4520 14.4671 14.4671 20.8080 20.8080 20.8100 20.8100 k = 0.4898-0.2019 0.4300 ( 440 PWs) bands (ev): -3.7308 -3.7308 -3.7308 -3.7308 2.3841 2.3841 2.3842 2.3842 14.0358 14.0358 14.0430 14.0430 14.4595 14.4595 14.4670 14.4670 20.8062 20.8062 20.8072 20.8072 k = 0.5000-0.2061 0.4300 ( 438 PWs) bands (ev): -3.7288 -3.7288 -3.7288 -3.7288 2.3797 2.3797 2.3797 2.3797 14.0401 14.0401 14.0401 14.0401 14.4645 14.4645 14.4645 14.4645 20.8061 20.8061 20.8061 20.8061 k = 0.5000-0.2061 0.4300 ( 438 PWs) bands (ev): -3.7288 -3.7288 -3.7288 -3.7288 2.3797 2.3797 2.3797 2.3797 14.0401 14.0401 14.0401 14.0401 14.4645 14.4645 14.4645 14.4645 20.8061 20.8061 20.8061 20.8061 k = 0.5042-0.1959 0.4300 ( 438 PWs) bands (ev): -3.7290 -3.7290 -3.7262 -3.7262 2.3807 2.3807 2.3815 2.3815 13.9615 13.9615 14.0843 14.0843 14.4265 14.4265 14.5099 14.5099 20.7848 20.7848 20.8401 20.8401 k = 0.5085-0.1856 0.4300 ( 436 PWs) bands (ev): -3.7266 -3.7266 -3.7210 -3.7210 2.3843 2.3843 2.3860 2.3860 13.8539 13.8539 14.0877 14.0877 14.4059 14.4059 14.5547 14.5547 20.7803 20.7803 20.8813 20.8813 k = 0.5127-0.1754 0.4300 ( 436 PWs) bands (ev): -3.7218 -3.7218 -3.7133 -3.7133 2.3906 2.3906 2.3931 2.3931 13.7208 13.7208 14.0494 14.0494 14.4062 14.4062 14.5943 14.5943 20.7929 20.7929 20.9242 20.9242 k = 0.5169-0.1651 0.4300 ( 438 PWs) bands (ev): -3.7145 -3.7145 -3.7030 -3.7030 2.3997 2.3997 2.4030 2.4030 13.5656 13.5656 13.9778 13.9778 14.4203 14.4203 14.6273 14.6273 20.8207 20.8207 20.9641 20.9641 k = 0.5212-0.1548 0.4300 ( 438 PWs) bands (ev): -3.7046 -3.7046 -3.6903 -3.6903 2.4114 2.4114 2.4155 2.4155 13.3917 13.3917 13.8814 13.8814 14.4405 14.4405 14.6538 14.6538 20.8610 20.8610 21.0013 21.0013 k = 0.5254-0.1446 0.4300 ( 438 PWs) bands (ev): -3.6923 -3.6923 -3.6751 -3.6751 2.4257 2.4257 2.4307 2.4307 13.2019 13.2019 13.7646 13.7646 14.4627 14.4627 14.6749 14.6749 20.9078 20.9078 21.0350 21.0350 k = 0.5296-0.1343 0.4300 ( 440 PWs) bands (ev): -3.6776 -3.6776 -3.6573 -3.6573 2.4428 2.4428 2.4487 2.4487 12.9988 12.9988 13.6293 13.6293 14.4854 14.4854 14.6921 14.6921 20.9557 20.9557 21.0663 21.0663 k = 0.5338-0.1241 0.4300 ( 443 PWs) bands (ev): -3.6604 -3.6604 -3.6371 -3.6371 2.4625 2.4625 2.4692 2.4692 12.7847 12.7847 13.4780 13.4780 14.5081 14.5081 14.7068 14.7068 21.0009 21.0009 21.0952 21.0952 k = 0.5381-0.1138 0.4300 ( 445 PWs) bands (ev): -3.6407 -3.6407 -3.6143 -3.6143 2.4849 2.4849 2.4925 2.4925 12.5617 12.5617 13.3117 13.3117 14.5308 14.5308 14.7201 14.7201 21.0430 21.0430 21.1245 21.1245 k = 0.5423-0.1035 0.4300 ( 445 PWs) bands (ev): -3.6187 -3.6187 -3.5891 -3.5891 2.5099 2.5099 2.5184 2.5184 12.3315 12.3315 13.1324 13.1324 14.5535 14.5535 14.7329 14.7329 21.0829 21.0829 21.1541 21.1541 k = 0.5465-0.0933 0.4300 ( 443 PWs) bands (ev): -3.5943 -3.5943 -3.5614 -3.5614 2.5375 2.5375 2.5470 2.5470 12.0954 12.0954 12.9416 12.9416 14.5762 14.5762 14.7460 14.7460 21.1207 21.1207 21.1845 21.1845 k = 0.5508-0.0830 0.4300 ( 443 PWs) bands (ev): -3.5675 -3.5675 -3.5312 -3.5312 2.5678 2.5678 2.5783 2.5783 11.8548 11.8548 12.7409 12.7409 14.5989 14.5989 14.7596 14.7596 21.1571 21.1571 21.2157 21.2157 k = 0.5550-0.0728 0.4300 ( 443 PWs) bands (ev): -3.5384 -3.5384 -3.4986 -3.4986 2.6006 2.6006 2.6122 2.6122 11.6107 11.6107 12.5318 12.5318 14.6216 14.6216 14.7741 14.7741 21.1929 21.1929 21.2480 21.2480 k = 0.5592-0.0625 0.4300 ( 445 PWs) bands (ev): -3.5069 -3.5069 -3.4636 -3.4636 2.6361 2.6361 2.6486 2.6486 11.3639 11.3639 12.3158 12.3158 14.6443 14.6443 14.7896 14.7896 21.2283 21.2283 21.2809 21.2809 k = 0.5635-0.0522 0.4300 ( 445 PWs) bands (ev): -3.4733 -3.4733 -3.4262 -3.4262 2.6741 2.6741 2.6877 2.6877 11.1155 11.1155 12.0943 12.0943 14.6670 14.6670 14.8063 14.8063 21.2645 21.2645 21.3156 21.3156 k = 0.5677-0.0420 0.4300 ( 444 PWs) bands (ev): -3.4373 -3.4373 -3.3864 -3.3864 2.7146 2.7146 2.7294 2.7294 10.8660 10.8660 11.8683 11.8683 14.6897 14.6897 14.8242 14.8242 21.3025 21.3025 21.3514 21.3514 k = 0.5719-0.0317 0.4300 ( 442 PWs) bands (ev): -3.3992 -3.3992 -3.3443 -3.3443 2.7577 2.7577 2.7737 2.7737 10.6162 10.6162 11.6388 11.6388 14.7121 14.7121 14.8434 14.8434 21.3402 21.3402 21.3885 21.3885 k = 0.5761-0.0215 0.4300 ( 440 PWs) bands (ev): -3.3590 -3.3590 -3.2998 -3.2998 2.8033 2.8033 2.8205 2.8205 10.3665 10.3665 11.4069 11.4069 14.7342 14.7342 14.8636 14.8636 21.3787 21.3787 21.4273 21.4273 k = 0.5804-0.0112 0.4300 ( 438 PWs) bands (ev): -3.3166 -3.3166 -3.2531 -3.2531 2.8513 2.8513 2.8698 2.8698 10.1174 10.1174 11.1731 11.1731 14.7559 14.7559 14.8850 14.8850 21.4183 21.4183 21.4667 21.4667 k = 0.5846-0.0009 0.4300 ( 438 PWs) bands (ev): -3.2723 -3.2723 -3.2041 -3.2041 2.9017 2.9017 2.9216 2.9216 9.8693 9.8693 10.9383 10.9383 14.7769 14.7769 14.9073 14.9073 21.4582 21.4582 21.5057 21.5057 k = 0.5888 0.0093 0.4300 ( 438 PWs) bands (ev): -3.2259 -3.2259 -3.1529 -3.1529 2.9545 2.9545 2.9758 2.9758 9.6226 9.6226 10.7030 10.7030 14.7973 14.7973 14.9304 14.9304 21.4986 21.4986 21.5448 21.5448 k = 0.5931 0.0196 0.4300 ( 442 PWs) bands (ev): -3.1777 -3.1777 -3.0995 -3.0995 3.0097 3.0097 3.0325 3.0325 9.3775 9.3775 10.4672 10.4672 14.8168 14.8168 14.9541 14.9541 21.5394 21.5394 21.5833 21.5833 k = 0.5973 0.0298 0.4300 ( 445 PWs) bands (ev): -3.1276 -3.1276 -3.0440 -3.0440 3.0671 3.0671 3.0915 3.0915 9.1344 9.1344 10.2322 10.2322 14.8353 14.8353 14.9784 14.9784 21.5787 21.5787 21.6205 21.6205 k = 0.6015 0.0401 0.4300 ( 443 PWs) bands (ev): -3.0757 -3.0757 -2.9864 -2.9864 3.1268 3.1268 3.1529 3.1529 8.8942 8.8942 9.9988 9.9988 14.8527 14.8527 15.0029 15.0029 21.6211 21.6211 21.6572 21.6572 k = 0.6058 0.0504 0.4300 ( 443 PWs) bands (ev): -3.0222 -3.0222 -2.9269 -2.9269 3.1887 3.1887 3.2166 3.2166 8.6569 8.6569 9.7667 9.7667 14.8688 14.8688 15.0274 15.0274 21.6605 21.6605 21.6903 21.6903 k = 0.6100 0.0606 0.4300 ( 443 PWs) bands (ev): -2.9671 -2.9671 -2.8653 -2.8653 3.2526 3.2526 3.2825 3.2825 8.4226 8.4226 9.5364 9.5364 14.8835 14.8835 15.0517 15.0517 21.6978 21.6978 21.7196 21.7196 k = 0.6142 0.0709 0.4300 ( 443 PWs) bands (ev): -2.9106 -2.9106 -2.8020 -2.8020 3.3186 3.3186 3.3505 3.3505 8.1918 8.1918 9.3083 9.3083 14.8965 14.8965 15.0755 15.0755 21.7297 21.7297 21.7450 21.7450 k = 0.6184 0.0811 0.4300 ( 447 PWs) bands (ev): -2.8528 -2.8528 -2.7368 -2.7368 3.3864 3.3864 3.4206 3.4206 7.9645 7.9645 9.0824 9.0824 14.9076 14.9076 15.0986 15.0986 21.7467 21.7467 21.7682 21.7682 k = 0.6227 0.0914 0.4300 ( 447 PWs) bands (ev): -2.7937 -2.7937 -2.6699 -2.6699 3.4560 3.4560 3.4927 3.4927 7.7416 7.7416 8.8598 8.8598 14.9166 14.9166 15.1207 15.1207 21.7481 21.7481 21.7885 21.7885 k = 0.6269 0.1017 0.4300 ( 447 PWs) bands (ev): -2.7337 -2.7337 -2.6014 -2.6014 3.5273 3.5273 3.5666 3.5666 7.5231 7.5231 8.6405 8.6405 14.9233 14.9233 15.1414 15.1414 21.7309 21.7309 21.7909 21.7909 k = 0.6311 0.1119 0.4300 ( 445 PWs) bands (ev): -2.6727 -2.6727 -2.5315 -2.5315 3.6001 3.6001 3.6423 3.6423 7.3096 7.3096 8.4248 8.4248 14.9273 14.9273 15.1606 15.1606 21.6907 21.6907 21.7536 21.7536 k = 0.6354 0.1222 0.4300 ( 445 PWs) bands (ev): -2.6110 -2.6110 -2.4601 -2.4601 3.6741 3.6741 3.7195 3.7195 7.1012 7.1012 8.2130 8.2130 14.9285 14.9285 15.1781 15.1781 21.6166 21.6166 21.6575 21.6575 k = 0.6396 0.1324 0.4300 ( 441 PWs) bands (ev): -2.5489 -2.5489 -2.3876 -2.3876 3.7491 3.7491 3.7980 3.7980 6.8991 6.8991 8.0058 8.0058 14.9265 14.9265 15.1932 15.1932 21.4841 21.4841 21.5478 21.5478 k = 0.6438 0.1427 0.4300 ( 441 PWs) bands (ev): -2.4865 -2.4865 -2.3139 -2.3139 3.8247 3.8247 3.8775 3.8775 6.7035 6.7035 7.8035 7.8035 14.9210 14.9210 15.2058 15.2058 21.3124 21.3124 21.4289 21.4289 k = 0.6481 0.1530 0.4300 ( 441 PWs) bands (ev): -2.4241 -2.4241 -2.2394 -2.2394 3.9004 3.9004 3.9577 3.9577 6.5152 6.5152 7.6065 7.6065 14.9119 14.9119 15.2156 15.2156 21.1306 21.1306 21.2923 21.2923 k = 0.6523 0.1632 0.4300 ( 441 PWs) bands (ev): -2.3620 -2.3620 -2.1641 -2.1641 3.9756 3.9756 4.0380 4.0380 6.3353 6.3353 7.4156 7.4156 14.8988 14.8988 15.2223 15.2223 20.9459 20.9459 21.1412 21.1412 k = 0.6565 0.1735 0.4300 ( 443 PWs) bands (ev): -2.3004 -2.3004 -2.0883 -2.0883 4.0495 4.0495 4.1180 4.1180 6.1650 6.1650 7.2311 7.2311 14.8814 14.8814 15.2256 15.2256 20.7608 20.7608 20.9789 20.9789 k = 0.6607 0.1837 0.4300 ( 443 PWs) bands (ev): -2.2398 -2.2398 -2.0121 -2.0121 4.1209 4.1209 4.1969 4.1969 6.0061 6.0061 7.0543 7.0543 14.8597 14.8597 15.2251 15.2251 20.5768 20.5768 20.8107 20.8107 k = 0.6650 0.1940 0.4300 ( 443 PWs) bands (ev): -2.1804 -2.1804 -1.9360 -1.9360 4.1880 4.1880 4.2738 4.2738 5.8608 5.8608 6.8860 6.8860 14.8333 14.8333 15.2206 15.2206 20.3946 20.3946 20.6383 20.6383 k = 0.6692 0.2043 0.4300 ( 443 PWs) bands (ev): -2.1226 -2.1226 -1.8601 -1.8601 4.2484 4.2484 4.3474 4.3474 5.7322 5.7322 6.7275 6.7275 14.8021 14.8021 15.2119 15.2119 20.2146 20.2146 20.4639 20.4639 k = 0.6734 0.2145 0.4300 ( 443 PWs) bands (ev): -2.0670 -2.0670 -1.7847 -1.7847 4.2984 4.2984 4.4166 4.4166 5.6243 5.6243 6.5803 6.5803 14.7661 14.7661 15.1986 15.1986 20.0369 20.0369 20.2887 20.2887 k = 0.6777 0.2248 0.4300 ( 443 PWs) bands (ev): -2.0140 -2.0140 -1.7103 -1.7103 4.3336 4.3336 4.4798 4.4798 5.5418 5.5418 6.4463 6.4463 14.7251 14.7251 15.1805 15.1805 19.8620 19.8620 20.1139 20.1139 k = 0.6819 0.2350 0.4300 ( 444 PWs) bands (ev): -1.9640 -1.9640 -1.6371 -1.6371 4.3497 4.3497 4.5353 4.5353 5.4891 5.4891 6.3279 6.3279 14.6791 14.6791 15.1576 15.1576 19.6897 19.6897 19.9400 19.9400 k = 0.6861 0.2453 0.4300 ( 440 PWs) bands (ev): -1.9176 -1.9176 -1.5656 -1.5656 4.3446 4.3446 4.5812 4.5812 5.4689 5.4689 6.2281 6.2281 14.6281 14.6281 15.1296 15.1296 19.5211 19.5211 19.7702 19.7702 k = 0.6904 0.2556 0.4300 ( 441 PWs) bands (ev): -1.8753 -1.8753 -1.4962 -1.4962 4.3194 4.3194 4.6150 4.6150 5.4796 5.4796 6.1492 6.1492 14.5722 14.5722 15.0965 15.0965 19.3545 19.3545 19.6001 19.6001 k = 0.6946 0.2658 0.4300 ( 441 PWs) bands (ev): -1.8378 -1.8378 -1.4295 -1.4295 4.2794 4.2794 4.6349 4.6349 5.5166 5.5166 6.0942 6.0942 14.5115 14.5115 15.0582 15.0582 19.1911 19.1911 19.4327 19.4327 k = 0.6988 0.2761 0.4300 ( 441 PWs) bands (ev): -1.8055 -1.8055 -1.3660 -1.3660 4.2307 4.2307 4.6398 4.6398 5.5742 5.5742 6.0647 6.0647 14.4462 14.4462 15.0147 15.0147 19.0310 19.0310 19.2681 19.2681 k = 0.7162 0.3182 0.3537 ( 441 PWs) bands (ev): -1.6065 -1.6065 -1.3205 -1.3205 4.0994 4.0994 4.3375 4.3375 6.1658 6.1658 6.2826 6.2826 14.3447 14.3447 14.4963 14.4963 18.3341 18.3341 18.4860 18.4860 k = 0.7160 0.3177 0.3428 ( 441 PWs) bands (ev): -1.6723 -1.6723 -1.2632 -1.2632 4.1044 4.1044 4.2967 4.2967 6.2223 6.2223 6.3355 6.3355 14.2502 14.2502 14.4760 14.4760 18.3640 18.3640 18.5070 18.5070 k = 0.7157 0.3171 0.3319 ( 440 PWs) bands (ev): -1.7373 -1.7373 -1.2071 -1.2071 4.1095 4.1095 4.2545 4.2545 6.2847 6.2847 6.3970 6.3970 14.1366 14.1366 14.4488 14.4488 18.4002 18.4002 18.5332 18.5332 k = 0.7155 0.3165 0.3210 ( 440 PWs) bands (ev): -1.8014 -1.8014 -1.1523 -1.1523 4.1133 4.1133 4.2136 4.2136 6.3527 6.3527 6.4661 6.4661 14.0096 14.0096 14.4106 14.4106 18.4403 18.4403 18.5613 18.5613 k = 0.7152 0.3159 0.3102 ( 442 PWs) bands (ev): -1.8645 -1.8645 -1.0991 -1.0991 4.1085 4.1085 4.1824 4.1824 6.4262 6.4262 6.5418 6.5418 13.8717 13.8717 14.3608 14.3608 18.4812 18.4812 18.5891 18.5891 k = 0.7150 0.3153 0.2993 ( 442 PWs) bands (ev): -1.9264 -1.9264 -1.0475 -1.0475 4.0813 4.0813 4.1757 4.1757 6.5050 6.5050 6.6231 6.6231 13.7243 13.7243 14.3000 14.3000 18.5175 18.5175 18.6159 18.6159 k = 0.7147 0.3147 0.2884 ( 442 PWs) bands (ev): -1.9871 -1.9871 -0.9979 -0.9979 4.0388 4.0388 4.1875 4.1875 6.5889 6.5889 6.7093 6.7093 13.5687 13.5687 14.2288 14.2288 18.5387 18.5387 18.6440 18.6440 k = 0.7145 0.3141 0.2775 ( 442 PWs) bands (ev): -2.0465 -2.0465 -0.9502 -0.9502 3.9914 3.9914 4.2082 4.2082 6.6776 6.6776 6.7997 6.7997 13.4059 13.4059 14.1481 14.1481 18.5339 18.5339 18.6768 18.6768 k = 0.7143 0.3136 0.2666 ( 444 PWs) bands (ev): -2.1045 -2.1045 -0.9047 -0.9047 3.9424 3.9424 4.2351 4.2351 6.7706 6.7706 6.8937 6.8937 13.2370 13.2370 14.0584 14.0584 18.4998 18.4998 18.7116 18.7116 k = 0.7140 0.3130 0.2557 ( 444 PWs) bands (ev): -2.1610 -2.1610 -0.8614 -0.8614 3.8931 3.8931 4.2678 4.2678 6.8676 6.8676 6.9909 6.9909 13.0627 13.0627 13.9610 13.9610 18.4392 18.4392 18.7431 18.7431 k = 0.7138 0.3124 0.2448 ( 448 PWs) bands (ev): -2.2160 -2.2160 -0.8205 -0.8205 3.8440 3.8440 4.3060 4.3060 6.9682 6.9682 7.0910 7.0910 12.8840 12.8840 13.8558 13.8558 18.3545 18.3545 18.7674 18.7674 k = 0.7135 0.3118 0.2340 ( 446 PWs) bands (ev): -2.2694 -2.2694 -0.7819 -0.7819 3.7956 3.7956 4.3499 4.3499 7.0719 7.0719 7.1936 7.1936 12.7017 12.7017 13.7447 13.7447 18.2543 18.2543 18.7831 18.7831 k = 0.7133 0.3112 0.2231 ( 446 PWs) bands (ev): -2.3210 -2.3210 -0.7458 -0.7458 3.7482 3.7482 4.3997 4.3997 7.1781 7.1781 7.2986 7.2986 12.5164 12.5164 13.6274 13.6274 18.1405 18.1405 18.7868 18.7868 k = 0.7131 0.3106 0.2122 ( 446 PWs) bands (ev): -2.3710 -2.3710 -0.7122 -0.7122 3.7018 3.7018 4.4552 4.4552 7.2862 7.2862 7.4057 7.4057 12.3291 12.3291 13.5049 13.5049 18.0194 18.0194 18.7806 18.7806 k = 0.7128 0.3100 0.2013 ( 448 PWs) bands (ev): -2.4192 -2.4192 -0.6811 -0.6811 3.6567 3.6567 4.5165 4.5165 7.3952 7.3952 7.5152 7.5152 12.1402 12.1402 13.3776 13.3776 17.8931 17.8931 18.7634 18.7634 k = 0.7126 0.3095 0.1904 ( 446 PWs) bands (ev): -2.4655 -2.4655 -0.6524 -0.6524 3.6132 3.6132 4.5838 4.5838 7.5042 7.5042 7.6273 7.6273 11.9508 11.9508 13.2461 13.2461 17.7640 17.7640 18.7368 18.7368 k = 0.7123 0.3089 0.1795 ( 446 PWs) bands (ev): -2.5099 -2.5099 -0.6260 -0.6260 3.5712 3.5712 4.6568 4.6568 7.6120 7.6120 7.7421 7.7421 11.7615 11.7615 13.1108 13.1108 17.6337 17.6337 18.7019 18.7019 k = 0.7121 0.3083 0.1686 ( 442 PWs) bands (ev): -2.5524 -2.5524 -0.6019 -0.6019 3.5309 3.5309 4.7356 4.7356 7.7175 7.7175 7.8600 7.8600 11.5732 11.5732 12.9723 12.9723 17.5037 17.5037 18.6606 18.6606 k = 0.7119 0.3077 0.1578 ( 440 PWs) bands (ev): -2.5930 -2.5930 -0.5801 -0.5801 3.4925 3.4925 4.8199 4.8199 7.8193 7.8193 7.9808 7.9808 11.3865 11.3865 12.8310 12.8310 17.3748 17.3748 18.6146 18.6146 k = 0.7116 0.3071 0.1469 ( 440 PWs) bands (ev): -2.6315 -2.6315 -0.5604 -0.5604 3.4558 3.4558 4.9097 4.9097 7.9164 7.9164 8.1044 8.1044 11.2027 11.2027 12.6873 12.6873 17.2476 17.2476 18.5647 18.5647 k = 0.7114 0.3065 0.1360 ( 440 PWs) bands (ev): -2.6681 -2.6681 -0.5427 -0.5427 3.4212 3.4212 5.0047 5.0047 8.0077 8.0077 8.2302 8.2302 11.0228 11.0228 12.5419 12.5419 17.1231 17.1231 18.5132 18.5132 k = 0.7111 0.3059 0.1251 ( 440 PWs) bands (ev): -2.7026 -2.7026 -0.5269 -0.5269 3.3885 3.3885 5.1048 5.1048 8.0918 8.0918 8.3578 8.3578 10.8482 10.8482 12.3954 12.3954 17.0019 17.0019 18.4612 18.4612 k = 0.7109 0.3054 0.1142 ( 442 PWs) bands (ev): -2.7350 -2.7350 -0.5129 -0.5129 3.3579 3.3579 5.2097 5.2097 8.1671 8.1671 8.4864 8.4864 10.6806 10.6806 12.2483 12.2483 16.8844 16.8844 18.4098 18.4098 k = 0.7106 0.3048 0.1033 ( 443 PWs) bands (ev): -2.7653 -2.7653 -0.5005 -0.5005 3.3294 3.3294 5.3191 5.3191 8.2313 8.2313 8.6152 8.6152 10.5224 10.5224 12.1018 12.1018 16.7710 16.7710 18.3598 18.3598 k = 0.7104 0.3042 0.0925 ( 445 PWs) bands (ev): -2.7935 -2.7935 -0.4896 -0.4896 3.3030 3.3030 5.4328 5.4328 8.2819 8.2819 8.7434 8.7434 10.3757 10.3757 11.9567 11.9567 16.6630 16.6630 18.3126 18.3126 k = 0.7102 0.3036 0.0816 ( 445 PWs) bands (ev): -2.8196 -2.8196 -0.4800 -0.4800 3.2789 3.2789 5.5503 5.5503 8.3154 8.3154 8.8696 8.8696 10.2444 10.2444 11.8144 11.8144 16.5613 16.5613 18.2684 18.2684 k = 0.7099 0.3030 0.0707 ( 443 PWs) bands (ev): -2.8435 -2.8435 -0.4717 -0.4717 3.2570 3.2570 5.6715 5.6715 8.3286 8.3286 8.9924 8.9924 10.1314 10.1314 11.6763 11.6763 16.4660 16.4660 18.2281 18.2281 k = 0.7097 0.3024 0.0598 ( 445 PWs) bands (ev): -2.8653 -2.8653 -0.4646 -0.4646 3.2373 3.2373 5.7958 5.7958 8.3184 8.3184 9.1096 9.1096 10.0392 10.0392 11.5448 11.5448 16.3778 16.3778 18.1902 18.1902 k = 0.7094 0.3018 0.0489 ( 444 PWs) bands (ev): -2.8849 -2.8849 -0.4585 -0.4585 3.2198 3.2198 5.9227 5.9227 8.2831 8.2831 9.2188 9.2188 9.9697 9.9697 11.4226 11.4226 16.2976 16.2976 18.1579 18.1579 k = 0.7092 0.3013 0.0380 ( 442 PWs) bands (ev): -2.9022 -2.9022 -0.4534 -0.4534 3.2047 3.2047 6.0518 6.0518 8.2231 8.2231 9.3159 9.3159 9.9224 9.9224 11.3140 11.3140 16.2273 16.2273 18.1305 18.1305 k = 0.7090 0.3007 0.0271 ( 440 PWs) bands (ev): -2.9174 -2.9174 -0.4491 -0.4491 3.1919 3.1919 6.1824 6.1824 8.1405 8.1405 9.3959 9.3959 9.8954 9.8954 11.2234 11.2234 16.1650 16.1650 18.1077 18.1077 k = 0.7087 0.3001 0.0163 ( 440 PWs) bands (ev): -2.9304 -2.9304 -0.4456 -0.4456 3.1814 3.1814 6.3137 6.3137 8.0392 8.0392 9.4522 9.4522 9.8852 9.8852 11.1569 11.1569 16.1123 16.1123 18.0897 18.0897 k = 0.7085 0.2995 0.0054 ( 440 PWs) bands (ev): -2.9412 -2.9412 -0.4427 -0.4427 3.1732 3.1732 6.4447 6.4447 7.9239 7.9239 9.4785 9.4785 9.8888 9.8888 11.1200 11.1200 16.0700 16.0700 18.0767 18.0767 k = 0.7082 0.2989-0.0055 ( 442 PWs) bands (ev): -2.9498 -2.9498 -0.4406 -0.4406 3.1674 3.1674 6.5739 6.5739 7.7993 7.7993 9.4707 9.4707 9.9031 9.9031 11.1162 11.1162 16.0384 16.0384 18.0688 18.0688 k = 0.7080 0.2983-0.0164 ( 442 PWs) bands (ev): -2.9562 -2.9562 -0.4391 -0.4391 3.1640 3.1640 6.6991 6.6991 7.6702 7.6702 9.4295 9.4295 9.9245 9.9245 11.1457 11.1457 16.0184 16.0184 18.0664 18.0664 k = 0.7077 0.2977-0.0273 ( 442 PWs) bands (ev): -2.9604 -2.9604 -0.4382 -0.4382 3.1629 3.1629 6.8155 6.8155 7.5431 7.5431 9.3596 9.3596 9.9500 9.9500 11.2048 11.2048 16.0101 16.0101 18.0694 18.0694 k = 0.7075 0.2972-0.0382 ( 442 PWs) bands (ev): -2.9624 -2.9624 -0.4379 -0.4379 3.1642 3.1642 6.9120 6.9120 7.4300 7.4300 9.2670 9.2670 9.9778 9.9778 11.2880 11.2880 16.0137 16.0137 18.0778 18.0778 k = 0.7075 0.2972-0.0382 ( 442 PWs) bands (ev): -2.9624 -2.9624 -0.4379 -0.4379 3.1642 3.1642 6.9120 6.9120 7.4300 7.4300 9.2670 9.2670 9.9778 9.9778 11.2880 11.2880 16.0137 16.0137 18.0778 18.0778 k = 0.7034 0.2871-0.0374 ( 442 PWs) bands (ev): -2.9724 -2.9724 -0.5452 -0.5452 3.2361 3.2361 6.9583 6.9583 7.5231 7.5231 9.2085 9.2085 9.8954 9.8954 11.1780 11.1780 16.0671 16.0671 18.1869 18.1869 k = 0.6992 0.2770-0.0366 ( 441 PWs) bands (ev): -2.9888 -2.9888 -0.6523 -0.6523 3.3199 3.3199 6.9890 6.9890 7.6269 7.6269 9.1485 9.1485 9.8191 9.8191 11.0685 11.0685 16.1302 16.1302 18.3042 18.3042 k = 0.6951 0.2670-0.0359 ( 443 PWs) bands (ev): -3.0113 -3.0113 -0.7591 -0.7591 3.4148 3.4148 7.0067 7.0067 7.7369 7.7369 9.0870 9.0870 9.7505 9.7505 10.9595 10.9595 16.2043 16.2043 18.4287 18.4287 k = 0.6909 0.2569-0.0351 ( 443 PWs) bands (ev): -3.0393 -3.0393 -0.8652 -0.8652 3.5205 3.5205 7.0142 7.0142 7.8479 7.8479 9.0247 9.0247 9.6924 9.6924 10.8512 10.8512 16.2885 16.2885 18.5608 18.5608 k = 0.6868 0.2468-0.0343 ( 441 PWs) bands (ev): -3.0722 -3.0722 -0.9704 -0.9704 3.6365 3.6365 7.0135 7.0135 7.9547 7.9547 8.9618 8.9618 9.6481 9.6481 10.7437 10.7437 16.3826 16.3826 18.7007 18.7007 k = 0.6826 0.2368-0.0336 ( 443 PWs) bands (ev): -3.1097 -3.1097 -1.0746 -1.0746 3.7622 3.7622 7.0062 7.0062 8.0512 8.0512 8.8986 8.8986 9.6212 9.6212 10.6369 10.6369 16.4860 16.4860 18.8461 18.8461 k = 0.6785 0.2267-0.0328 ( 443 PWs) bands (ev): -3.1512 -3.1512 -1.1777 -1.1777 3.8970 3.8970 6.9936 6.9936 8.1318 8.1318 8.8356 8.8356 9.6171 9.6171 10.5315 10.5315 16.5991 16.5991 18.9980 18.9980 k = 0.6743 0.2166-0.0321 ( 444 PWs) bands (ev): -3.1962 -3.1962 -1.2794 -1.2794 4.0406 4.0406 6.9763 6.9763 8.1911 8.1911 8.7729 8.7729 9.6402 9.6402 10.4271 10.4271 16.7198 16.7198 19.1541 19.1541 k = 0.6702 0.2066-0.0313 ( 444 PWs) bands (ev): -3.2442 -3.2442 -1.3796 -1.3796 4.1921 4.1921 6.9552 6.9552 8.2259 8.2259 8.7106 8.7106 9.6930 9.6930 10.3246 10.3246 16.8508 16.8508 19.3175 19.3175 k = 0.6660 0.1965-0.0305 ( 444 PWs) bands (ev): -3.2948 -3.2948 -1.4782 -1.4782 4.3512 4.3512 6.9309 6.9309 8.2363 8.2363 8.6488 8.6488 9.7748 9.7748 10.2243 10.2243 16.9903 16.9903 19.4860 19.4860 k = 0.6619 0.1864-0.0298 ( 446 PWs) bands (ev): -3.3475 -3.3475 -1.5752 -1.5752 4.5172 4.5172 6.9038 6.9038 8.2251 8.2251 8.5874 8.5874 9.8798 9.8798 10.1291 10.1291 17.1375 17.1375 19.6595 19.6595 k = 0.6577 0.1764-0.0290 ( 446 PWs) bands (ev): -3.4019 -3.4019 -1.6704 -1.6704 4.6898 4.6898 6.8744 6.8744 8.1970 8.1970 8.5265 8.5265 9.9684 9.9684 10.0743 10.0743 17.2931 17.2931 19.8378 19.8378 k = 0.6536 0.1663-0.0282 ( 442 PWs) bands (ev): -3.4577 -3.4577 -1.7637 -1.7637 4.8683 4.8683 6.8432 6.8432 8.1562 8.1562 8.4663 8.4663 9.9102 9.9102 10.1862 10.1862 17.4572 17.4572 20.0224 20.0224 k = 0.6494 0.1562-0.0275 ( 442 PWs) bands (ev): -3.5144 -3.5144 -1.8551 -1.8551 5.0523 5.0523 6.8103 6.8103 8.1065 8.1065 8.4069 8.4069 9.8195 9.8195 10.3460 10.3460 17.6277 17.6277 20.2091 20.2091 k = 0.6453 0.1462-0.0267 ( 444 PWs) bands (ev): -3.5719 -3.5719 -1.9445 -1.9445 5.2413 5.2413 6.7761 6.7761 8.0507 8.0507 8.3487 8.3487 9.7271 9.7271 10.5203 10.5203 17.8052 17.8052 20.3996 20.3996 k = 0.6411 0.1361-0.0260 ( 442 PWs) bands (ev): -3.6297 -3.6297 -2.0317 -2.0317 5.4347 5.4347 6.7411 6.7411 7.9907 7.9907 8.2923 8.2923 9.6359 9.6359 10.7045 10.7045 17.9897 17.9897 20.5938 20.5938 k = 0.6370 0.1260-0.0252 ( 444 PWs) bands (ev): -3.6877 -3.6877 -2.1169 -2.1169 5.6316 5.6316 6.7053 6.7053 7.9280 7.9280 8.2379 8.2379 9.5461 9.5461 10.8960 10.8960 18.1804 18.1804 20.7910 20.7910 k = 0.6328 0.1160-0.0244 ( 442 PWs) bands (ev): -3.7455 -3.7455 -2.1999 -2.1999 5.8312 5.8312 6.6694 6.6694 7.8638 7.8638 8.1864 8.1864 9.4584 9.4584 11.0936 11.0936 18.3793 18.3793 20.9923 20.9923 k = 0.6287 0.1059-0.0237 ( 442 PWs) bands (ev): -3.8031 -3.8031 -2.2806 -2.2806 6.0324 6.0324 6.6337 6.6337 7.7989 7.7989 8.1385 8.1385 9.3727 9.3727 11.2961 11.2961 18.5822 18.5822 21.1950 21.1950 k = 0.6245 0.0958-0.0229 ( 438 PWs) bands (ev): -3.8600 -3.8600 -2.3591 -2.3591 6.2327 6.2327 6.5994 6.5994 7.7338 7.7338 8.0955 8.0955 9.2891 9.2891 11.5028 11.5028 18.7923 18.7923 21.4005 21.4005 k = 0.6204 0.0858-0.0221 ( 438 PWs) bands (ev): -3.9163 -3.9163 -2.4353 -2.4353 6.4235 6.4235 6.5733 6.5733 7.6691 7.6691 8.0589 8.0589 9.2078 9.2078 11.7130 11.7130 19.0064 19.0064 21.6074 21.6074 k = 0.6162 0.0757-0.0214 ( 436 PWs) bands (ev): -3.9717 -3.9717 -2.5091 -2.5091 6.5037 6.5037 6.6534 6.6534 7.6055 7.6055 8.0315 8.0315 9.1290 9.1290 11.9262 11.9262 19.2269 19.2269 21.8159 21.8159 k = 0.6121 0.0656-0.0206 ( 438 PWs) bands (ev): -4.0261 -4.0261 -2.5806 -2.5806 6.4781 6.4781 6.8298 6.8298 7.5436 7.5436 8.0179 8.0179 9.0527 9.0527 12.1418 12.1418 19.4510 19.4510 22.0243 22.0243 k = 0.6079 0.0556-0.0198 ( 438 PWs) bands (ev): -4.0793 -4.0793 -2.6496 -2.6496 6.4452 6.4452 6.9952 6.9952 7.4846 7.4846 8.0257 8.0257 8.9794 8.9794 12.3594 12.3594 19.6802 19.6802 22.2344 22.2344 k = 0.6038 0.0455-0.0191 ( 436 PWs) bands (ev): -4.1312 -4.1312 -2.7163 -2.7163 6.4117 6.4117 7.1296 7.1296 7.4313 7.4313 8.0656 8.0656 8.9095 8.9095 12.5791 12.5791 19.9141 19.9141 22.4445 22.4445 k = 0.5996 0.0354-0.0183 ( 436 PWs) bands (ev): -4.1818 -4.1818 -2.7804 -2.7804 6.3786 6.3786 7.2125 7.2125 7.3918 7.3918 8.1471 8.1471 8.8442 8.8442 12.7996 12.7996 20.1523 20.1523 22.6535 22.6535 k = 0.5955 0.0254-0.0176 ( 434 PWs) bands (ev): -4.2308 -4.2308 -2.8421 -2.8421 6.3463 6.3463 7.2279 7.2279 7.3796 7.3796 8.2706 8.2706 8.7863 8.7863 13.0213 13.0213 20.3946 20.3946 22.8601 22.8601 k = 0.5913 0.0153-0.0168 ( 432 PWs) bands (ev): -4.2783 -4.2783 -2.9013 -2.9013 6.3149 6.3149 7.1967 7.1967 7.3816 7.3816 8.4156 8.4156 8.7473 8.7473 13.2430 13.2430 20.6408 20.6408 23.0615 23.0615 k = 0.5872 0.0052-0.0160 ( 430 PWs) bands (ev): -4.3242 -4.3242 -2.9579 -2.9579 6.2845 6.2845 7.1510 7.1510 7.3775 7.3775 8.5190 8.5190 8.7786 8.7786 13.4650 13.4650 20.8938 20.8938 23.2406 23.2406 k = 0.5830-0.0048-0.0153 ( 431 PWs) bands (ev): -4.3682 -4.3682 -3.0120 -3.0120 6.2553 6.2553 7.1019 7.1019 7.3653 7.3653 8.5202 8.5202 8.9315 8.9315 13.6862 13.6862 21.1463 21.1463 23.2544 23.2544 k = 0.5789-0.0149-0.0145 ( 431 PWs) bands (ev): -4.4105 -4.4105 -3.0636 -3.0636 6.2274 6.2274 7.0527 7.0527 7.3475 7.3475 8.4812 8.4812 9.1383 9.1383 13.9064 13.9064 21.4027 21.4027 22.9837 22.9837 k = 0.5747-0.0250-0.0137 ( 433 PWs) bands (ev): -4.4509 -4.4509 -3.1126 -3.1126 6.2007 6.2007 7.0045 7.0045 7.3265 7.3265 8.4340 8.4340 9.3627 9.3627 14.1250 14.1250 21.6618 21.6618 22.6640 22.6640 k = 0.5706-0.0350-0.0130 ( 435 PWs) bands (ev): -4.4894 -4.4894 -3.1590 -3.1590 6.1753 6.1753 6.9579 6.9579 7.3039 7.3039 8.3859 8.3859 9.5953 9.5953 14.3415 14.3415 21.9221 21.9221 22.3388 22.3388 k = 0.5664-0.0451-0.0122 ( 435 PWs) bands (ev): -4.5260 -4.5260 -3.2028 -3.2028 6.1514 6.1514 6.9133 6.9133 7.2807 7.2807 8.3389 8.3389 9.8322 9.8322 14.5553 14.5553 22.0145 22.0145 22.1858 22.1858 k = 0.5623-0.0552-0.0114 ( 435 PWs) bands (ev): -4.5605 -4.5605 -3.2440 -3.2440 6.1290 6.1290 6.8707 6.8707 7.2577 7.2577 8.2939 8.2939 10.0712 10.0712 14.7655 14.7655 21.6938 21.6938 22.4509 22.4509 k = 0.5581-0.0652-0.0107 ( 437 PWs) bands (ev): -4.5929 -4.5929 -3.2826 -3.2826 6.1079 6.1079 6.8303 6.8303 7.2353 7.2353 8.2511 8.2511 10.3107 10.3107 14.9713 14.9713 21.3763 21.3763 22.7165 22.7165 k = 0.5540-0.0753-0.0099 ( 435 PWs) bands (ev): -4.6233 -4.6233 -3.3186 -3.3186 6.0884 6.0884 6.7923 6.7923 7.2139 7.2139 8.2109 8.2109 10.5494 10.5494 15.1719 15.1719 21.0672 21.0672 22.9821 22.9821 k = 0.5498-0.0853-0.0092 ( 435 PWs) bands (ev): -4.6515 -4.6515 -3.3519 -3.3519 6.0704 6.0704 6.7567 6.7567 7.1935 7.1935 8.1734 8.1734 10.7855 10.7855 15.3661 15.3661 20.7654 20.7654 23.2463 23.2463 k = 0.5457-0.0954-0.0084 ( 435 PWs) bands (ev): -4.6776 -4.6776 -3.3826 -3.3826 6.0538 6.0538 6.7236 6.7236 7.1745 7.1745 8.1387 8.1387 11.0177 11.0177 15.5529 15.5529 20.4726 20.4726 23.5071 23.5071 k = 0.5415-0.1055-0.0076 ( 435 PWs) bands (ev): -4.7015 -4.7015 -3.4107 -3.4107 6.0388 6.0388 6.6932 6.6932 7.1570 7.1570 8.1068 8.1068 11.2445 11.2445 15.7311 15.7311 20.1906 20.1906 23.7621 23.7621 k = 0.5374-0.1155-0.0069 ( 435 PWs) bands (ev): -4.7232 -4.7232 -3.4361 -3.4361 6.0252 6.0252 6.6655 6.6655 7.1409 7.1409 8.0776 8.0776 11.4639 11.4639 15.8993 15.8993 19.9213 19.9213 24.0065 24.0065 k = 0.5332-0.1256-0.0061 ( 437 PWs) bands (ev): -4.7426 -4.7426 -3.4588 -3.4588 6.0131 6.0131 6.6404 6.6404 7.1264 7.1264 8.0515 8.0515 11.6735 11.6735 16.0559 16.0559 19.6651 19.6651 24.2359 24.2359 k = 0.5291-0.1357-0.0053 ( 435 PWs) bands (ev): -4.7598 -4.7598 -3.4789 -3.4789 6.0025 6.0025 6.6182 6.6182 7.1136 7.1136 8.0285 8.0285 11.8710 11.8710 16.1995 16.1995 19.4281 19.4281 24.4423 24.4423 k = 0.5249-0.1457-0.0046 ( 434 PWs) bands (ev): -4.7748 -4.7748 -3.4963 -3.4963 5.9934 5.9934 6.5988 6.5988 7.1024 7.1024 8.0085 8.0085 12.0534 12.0534 16.3284 16.3284 19.2117 19.2117 24.6125 24.6125 k = 0.5208-0.1558-0.0038 ( 436 PWs) bands (ev): -4.7874 -4.7874 -3.5110 -3.5110 5.9856 5.9856 6.5823 6.5823 7.0929 7.0929 7.9915 7.9915 12.2171 12.2171 16.4410 16.4410 19.0188 19.0188 24.7380 24.7380 k = 0.5166-0.1659-0.0031 ( 434 PWs) bands (ev): -4.7978 -4.7978 -3.5231 -3.5231 5.9793 5.9793 6.5687 6.5687 7.0851 7.0851 7.9775 7.9775 12.3586 12.3586 16.5359 16.5359 18.8535 18.8535 24.8206 24.8206 k = 0.5125-0.1759-0.0023 ( 434 PWs) bands (ev): -4.8059 -4.8059 -3.5325 -3.5325 5.9745 5.9745 6.5581 6.5581 7.0790 7.0790 7.9667 7.9667 12.4740 12.4740 16.6113 16.6113 18.7196 18.7196 24.8615 24.8615 k = 0.5083-0.1860-0.0015 ( 434 PWs) bands (ev): -4.8117 -4.8117 -3.5392 -3.5392 5.9710 5.9710 6.5505 6.5505 7.0747 7.0747 7.9589 7.9589 12.5597 12.5597 16.6662 16.6662 18.6207 18.6207 24.8783 24.8783 k = 0.5042-0.1961-0.0008 ( 434 PWs) bands (ev): -4.8151 -4.8151 -3.5432 -3.5432 5.9689 5.9689 6.5460 6.5460 7.0721 7.0721 7.9542 7.9542 12.6125 12.6125 16.6995 16.6995 18.5599 18.5599 24.8834 24.8834 k = 0.5000-0.2061-0.0000 ( 434 PWs) bands (ev): -4.8163 -4.8163 -3.5445 -3.5445 5.9682 5.9682 6.5445 6.5445 7.0712 7.0712 7.9527 7.9527 12.6303 12.6303 16.7106 16.7106 18.5394 18.5394 24.8843 24.8843 k = 0.5000-0.2061-0.0000 ( 434 PWs) bands (ev): -4.8163 -4.8163 -3.5445 -3.5445 5.9682 5.9682 6.5445 6.5445 7.0712 7.0712 7.9527 7.9527 12.6303 12.6303 16.7106 16.7106 18.5394 18.5394 24.8843 24.8843 k = 0.4898-0.2019-0.0000 ( 434 PWs) bands (ev): -4.8241 -4.8241 -3.5359 -3.5359 5.9598 5.9598 6.5285 6.5285 7.0911 7.0911 7.9635 7.9635 12.6314 12.6314 16.7101 16.7101 18.5407 18.5407 24.8762 24.8762 k = 0.4796-0.1977-0.0000 ( 434 PWs) bands (ev): -4.8468 -4.8468 -3.5107 -3.5107 5.9352 5.9352 6.4863 6.4863 7.1450 7.1450 7.9953 7.9953 12.6346 12.6346 16.7083 16.7083 18.5447 18.5447 24.8476 24.8476 k = 0.4694-0.1935-0.0000 ( 434 PWs) bands (ev): -4.8828 -4.8828 -3.4706 -3.4706 5.8960 5.8960 6.4286 6.4286 7.2220 7.2220 8.0467 8.0467 12.6399 12.6399 16.7054 16.7054 18.5513 18.5513 24.7828 24.7828 k = 0.4592-0.1893-0.0000 ( 434 PWs) bands (ev): -4.9297 -4.9297 -3.4180 -3.4180 5.8445 5.8445 6.3635 6.3635 7.3141 7.3141 8.1155 8.1155 12.6473 12.6473 16.7013 16.7013 18.5605 18.5605 24.6560 24.6560 k = 0.4490-0.1851-0.0000 ( 432 PWs) bands (ev): -4.9853 -4.9853 -3.3551 -3.3551 5.7832 5.7832 6.2955 6.2955 7.4164 7.4164 8.1993 8.1993 12.6569 12.6569 16.6960 16.6960 18.5723 18.5723 24.4569 24.4569 k = 0.4388-0.1809-0.0000 ( 434 PWs) bands (ev): -5.0474 -5.0474 -3.2842 -3.2842 5.7142 5.7142 6.2274 6.2274 7.5262 7.5262 8.2959 8.2959 12.6686 12.6686 16.6894 16.6894 18.5866 18.5866 24.2057 24.2057 k = 0.4286-0.1767-0.0000 ( 432 PWs) bands (ev): -5.1143 -5.1143 -3.2071 -3.2071 5.6397 5.6397 6.1608 6.1608 7.6420 7.6420 8.4036 8.4036 12.6824 12.6824 16.6817 16.6817 18.6036 18.6036 23.9258 23.9258 k = 0.4184-0.1725-0.0000 ( 430 PWs) bands (ev): -5.1846 -5.1846 -3.1253 -3.1253 5.5611 5.5611 6.0968 6.0968 7.7628 7.7628 8.5204 8.5204 12.6982 12.6982 16.6726 16.6726 18.6231 18.6231 23.6313 23.6313 k = 0.4082-0.1683-0.0000 ( 434 PWs) bands (ev): -5.2571 -5.2571 -3.0400 -3.0400 5.4794 5.4794 6.0358 6.0358 7.8877 7.8877 8.6448 8.6448 12.7162 12.7162 16.6621 16.6621 18.6448 18.6448 23.3258 23.3258 k = 0.3980-0.1641-0.0000 ( 432 PWs) bands (ev): -5.3311 -5.3311 -2.9521 -2.9521 5.3962 5.3962 5.9789 5.9789 8.0165 8.0165 8.7763 8.7763 12.7362 12.7362 16.6503 16.6503 18.6692 18.6692 23.0155 23.0155 k = 0.3878-0.1599-0.0000 ( 434 PWs) bands (ev): -5.4058 -5.4058 -2.8625 -2.8625 5.3118 5.3118 5.9262 5.9262 8.1486 8.1486 8.9133 8.9133 12.7583 12.7583 16.6372 16.6372 18.6958 18.6958 22.7020 22.7020 k = 0.3776-0.1557-0.0000 ( 436 PWs) bands (ev): -5.4807 -5.4807 -2.7718 -2.7718 5.2274 5.2274 5.8784 5.8784 8.2837 8.2837 9.0557 9.0557 12.7824 12.7824 16.6224 16.6224 18.7245 18.7245 22.3872 22.3872 k = 0.3673-0.1515-0.0000 ( 438 PWs) bands (ev): -5.5555 -5.5555 -2.6806 -2.6806 5.1429 5.1429 5.8354 5.8354 8.4217 8.4217 9.2027 9.2027 12.8085 12.8085 16.6064 16.6064 18.7543 18.7543 22.0720 22.0720 k = 0.3571-0.1472-0.0000 ( 438 PWs) bands (ev): -5.6296 -5.6296 -2.5893 -2.5893 5.0591 5.0591 5.7978 5.7978 8.5623 8.5623 9.3537 9.3537 12.8367 12.8367 16.5888 16.5888 18.7871 18.7871 21.7580 21.7580 k = 0.3469-0.1430-0.0000 ( 437 PWs) bands (ev): -5.7030 -5.7030 -2.4983 -2.4983 4.9762 4.9762 5.7657 5.7657 8.7052 8.7052 9.5086 9.5086 12.8668 12.8668 16.5696 16.5696 18.8221 18.8221 21.4461 21.4461 k = 0.3367-0.1388-0.0000 ( 439 PWs) bands (ev): -5.7754 -5.7754 -2.4080 -2.4080 4.8945 4.8945 5.7391 5.7391 8.8503 8.8503 9.6666 9.6666 12.8989 12.8989 16.5489 16.5489 18.8572 18.8572 21.1365 21.1365 k = 0.3265-0.1346-0.0000 ( 439 PWs) bands (ev): -5.8465 -5.8465 -2.3189 -2.3189 4.8141 4.8141 5.7184 5.7184 8.9975 8.9975 9.8282 9.8282 12.9330 12.9330 16.5264 16.5264 18.8925 18.8925 20.8310 20.8310 k = 0.3163-0.1304-0.0000 ( 439 PWs) bands (ev): -5.9163 -5.9163 -2.2311 -2.2311 4.7353 4.7353 5.7037 5.7037 9.1463 9.1463 9.9923 9.9923 12.9690 12.9690 16.5023 16.5023 18.9264 18.9264 20.5320 20.5320 k = 0.3061-0.1262-0.0000 ( 437 PWs) bands (ev): -5.9845 -5.9845 -2.1451 -2.1451 4.6582 4.6582 5.6950 5.6950 9.2966 9.2966 10.1591 10.1591 13.0069 13.0069 16.4764 16.4764 18.9557 18.9557 20.2430 20.2430 k = 0.2959-0.1220-0.0000 ( 437 PWs) bands (ev): -6.0512 -6.0512 -2.0609 -2.0609 4.5829 4.5829 5.6925 5.6925 9.4482 9.4482 10.3282 10.3282 13.0466 13.0466 16.4488 16.4488 18.9735 18.9735 19.9707 19.9707 k = 0.2857-0.1178-0.0000 ( 435 PWs) bands (ev): -6.1161 -6.1161 -1.9790 -1.9790 4.5097 4.5097 5.6962 5.6962 9.6009 9.6009 10.4995 10.4995 13.0882 13.0882 16.4194 16.4194 18.9637 18.9637 19.7322 19.7322 k = 0.2755-0.1136-0.0000 ( 433 PWs) bands (ev): -6.1792 -6.1792 -1.8995 -1.8995 4.4385 4.4385 5.7062 5.7062 9.7544 9.7544 10.6729 10.6729 13.1316 13.1316 16.3882 16.3882 18.8944 18.8944 19.5596 19.5596 k = 0.2653-0.1094-0.0000 ( 435 PWs) bands (ev): -6.2405 -6.2405 -1.8226 -1.8226 4.3694 4.3694 5.7225 5.7225 9.9082 9.9082 10.8476 10.8476 13.1767 13.1767 16.3551 16.3551 18.7388 18.7388 19.4790 19.4790 k = 0.2551-0.1052-0.0000 ( 435 PWs) bands (ev): -6.2998 -6.2998 -1.7485 -1.7485 4.3027 4.3027 5.7450 5.7450 10.0622 10.0622 11.0238 11.0238 13.2236 13.2236 16.3201 16.3201 18.5194 18.5194 19.4689 19.4689 k = 0.2449-0.1010-0.0000 ( 435 PWs) bands (ev): -6.3571 -6.3571 -1.6774 -1.6774 4.2382 4.2382 5.7736 5.7736 10.2160 10.2160 11.2012 11.2012 13.2722 13.2722 16.2833 16.2833 18.2710 18.2710 19.4952 19.4952 k = 0.2347-0.0968-0.0000 ( 435 PWs) bands (ev): -6.4124 -6.4124 -1.6093 -1.6093 4.1760 4.1760 5.8083 5.8083 10.3692 10.3692 11.3796 11.3796 13.3225 13.3225 16.2446 16.2446 18.0123 18.0123 19.5393 19.5393 k = 0.2245-0.0926-0.0000 ( 433 PWs) bands (ev): -6.4655 -6.4655 -1.5445 -1.5445 4.1163 4.1163 5.8490 5.8490 10.5214 10.5214 11.5589 11.5589 13.3746 13.3746 16.2041 16.2041 17.7517 17.7517 19.5945 19.5945 k = 0.2143-0.0883-0.0000 ( 433 PWs) bands (ev): -6.5166 -6.5166 -1.4830 -1.4830 4.0590 4.0590 5.8953 5.8953 10.6722 10.6722 11.7385 11.7385 13.4282 13.4282 16.1617 16.1617 17.4931 17.4931 19.6551 19.6551 k = 0.2041-0.0841-0.0000 ( 433 PWs) bands (ev): -6.5654 -6.5654 -1.4247 -1.4247 4.0042 4.0042 5.9470 5.9470 10.8209 10.8209 11.9180 11.9180 13.4833 13.4833 16.1176 16.1176 17.2387 17.2387 19.7198 19.7198 k = 0.1939-0.0799-0.0000 ( 433 PWs) bands (ev): -6.6121 -6.6121 -1.3699 -1.3699 3.9519 3.9519 6.0039 6.0039 10.9669 10.9669 12.0972 12.0972 13.5398 13.5398 16.0717 16.0717 16.9904 16.9904 19.7879 19.7879 k = 0.1837-0.0757-0.0000 ( 433 PWs) bands (ev): -6.6565 -6.6565 -1.3184 -1.3184 3.9022 3.9022 6.0654 6.0654 11.1097 11.1097 12.2755 12.2755 13.5979 13.5979 16.0240 16.0240 16.7493 16.7493 19.8585 19.8585 k = 0.1735-0.0715-0.0000 ( 433 PWs) bands (ev): -6.6986 -6.6986 -1.2703 -1.2703 3.8550 3.8550 6.1312 6.1312 11.2483 11.2483 12.4526 12.4526 13.6575 13.6575 15.9745 15.9745 16.5167 16.5167 19.9311 19.9311 k = 0.1633-0.0673-0.0000 ( 435 PWs) bands (ev): -6.7385 -6.7385 -1.2256 -1.2256 3.8104 3.8104 6.2008 6.2008 11.3821 11.3821 12.6276 12.6276 13.7186 13.7186 15.9229 15.9229 16.2941 16.2941 20.0052 20.0052 k = 0.1531-0.0631-0.0000 ( 435 PWs) bands (ev): -6.7760 -6.7760 -1.1842 -1.1842 3.7685 3.7685 6.2735 6.2735 11.5099 11.5099 12.8000 12.8000 13.7812 13.7812 15.8682 15.8682 16.0839 16.0839 20.0802 20.0802 k = 0.1429-0.0589-0.0000 ( 433 PWs) bands (ev): -6.8112 -6.8112 -1.1460 -1.1460 3.7292 3.7292 6.3489 6.3489 11.6310 11.6310 12.9689 12.9689 13.8454 13.8454 15.8022 15.8022 15.8959 15.8959 20.1557 20.1557 k = 0.1327-0.0547-0.0000 ( 433 PWs) bands (ev): -6.8440 -6.8440 -1.1110 -1.1110 3.6925 3.6925 6.4258 6.4258 11.7440 11.7440 13.1332 13.1332 13.9112 13.9112 15.6714 15.6714 15.7841 15.7841 20.2309 20.2309 k = 0.1224-0.0505-0.0000 ( 433 PWs) bands (ev): -6.8745 -6.8745 -1.0791 -1.0791 3.6585 3.6585 6.5036 6.5036 11.8478 11.8478 13.2916 13.2916 13.9788 13.9788 15.5053 15.5053 15.7212 15.7212 20.3052 20.3052 k = 0.1122-0.0463-0.0000 ( 433 PWs) bands (ev): -6.9026 -6.9026 -1.0501 -1.0501 3.6272 3.6272 6.5814 6.5814 11.9413 11.9413 13.4425 13.4425 14.0485 14.0485 15.3490 15.3490 15.6636 15.6636 20.3776 20.3776 k = 0.1020-0.0421-0.0000 ( 433 PWs) bands (ev): -6.9283 -6.9283 -1.0241 -1.0241 3.5985 3.5985 6.6582 6.6582 12.0236 12.0236 13.5842 13.5842 14.1205 14.1205 15.2083 15.2083 15.6069 15.6069 20.4470 20.4470 k = 0.0918-0.0379-0.0000 ( 431 PWs) bands (ev): -6.9515 -6.9515 -1.0009 -1.0009 3.5726 3.5726 6.7332 6.7332 12.0938 12.0938 13.7146 13.7146 14.1952 14.1952 15.0866 15.0866 15.5507 15.5507 20.5122 20.5122 k = 0.0816-0.0337-0.0000 ( 429 PWs) bands (ev): -6.9724 -6.9724 -0.9805 -0.9805 3.5493 3.5493 6.8048 6.8048 12.1517 12.1517 13.8316 13.8316 14.2727 14.2727 14.9826 14.9826 15.4951 15.4951 20.5717 20.5717 k = 0.0714-0.0294-0.0000 ( 429 PWs) bands (ev): -6.9908 -6.9908 -0.9626 -0.9626 3.5288 3.5288 6.8718 6.8718 12.1971 12.1971 13.9337 13.9337 14.3518 14.3518 14.8971 14.8971 15.4405 15.4405 20.6240 20.6240 k = 0.0612-0.0252-0.0000 ( 427 PWs) bands (ev): -7.0068 -7.0068 -0.9474 -0.9474 3.5110 3.5110 6.9334 6.9334 12.2310 12.2310 14.0200 14.0200 14.4309 14.4309 14.8319 14.8319 15.3876 15.3876 20.6374 20.6374 k = 0.0510-0.0210-0.0000 ( 429 PWs) bands (ev): -7.0203 -7.0203 -0.9346 -0.9346 3.4959 3.4959 6.9878 6.9878 12.2545 12.2545 14.0907 14.0907 14.5068 14.5068 14.7833 14.7833 15.3373 15.3373 20.5181 20.5181 k = 0.0408-0.0168-0.0000 ( 431 PWs) bands (ev): -7.0314 -7.0314 -0.9242 -0.9242 3.4836 3.4836 7.0343 7.0343 12.2696 12.2696 14.1464 14.1464 14.5754 14.5754 14.7514 14.7514 15.2906 15.2906 20.4175 20.4175 k = 0.0306-0.0126-0.0000 ( 429 PWs) bands (ev): -7.0400 -7.0400 -0.9162 -0.9162 3.4740 3.4740 7.0717 7.0717 12.2784 12.2784 14.1882 14.1882 14.6317 14.6317 14.7353 14.7353 15.2496 15.2496 20.3373 20.3373 k = 0.0204-0.0084-0.0000 ( 429 PWs) bands (ev): -7.0462 -7.0462 -0.9106 -0.9106 3.4672 3.4672 7.0991 7.0991 12.2830 12.2830 14.2169 14.2169 14.6686 14.6686 14.7346 14.7346 15.2167 15.2167 20.2787 20.2787 k = 0.0102-0.0042-0.0000 ( 429 PWs) bands (ev): -7.0499 -7.0499 -0.9072 -0.9072 3.4630 3.4630 7.1159 7.1159 12.2851 12.2851 14.2337 14.2337 14.6834 14.6834 14.7452 14.7452 15.1949 15.1949 20.2424 20.2424 k = 0.0000 0.0000 0.0000 ( 427 PWs) bands (ev): -7.0511 -7.0511 -0.9060 -0.9060 3.4617 3.4617 7.1215 7.1215 12.2858 12.2858 14.2392 14.2392 14.6867 14.6867 14.7513 14.7513 15.1872 15.1872 20.2313 20.2313 k = 0.0000 0.0000 0.0000 ( 427 PWs) bands (ev): -7.0511 -7.0511 -0.9060 -0.9060 3.4617 3.4617 7.1215 7.1215 12.2858 12.2858 14.2392 14.2392 14.6867 14.6867 14.7513 14.7513 15.1872 15.1872 20.2313 20.2313 k = 0.0077 0.0077-0.0006 ( 425 PWs) bands (ev): -7.0498 -7.0498 -0.9052 -0.9052 3.4629 3.4629 7.1215 7.1215 12.2854 12.2854 14.2326 14.2326 14.6826 14.6826 14.7480 14.7480 15.1791 15.1791 20.2343 20.2343 k = 0.0154 0.0155-0.0012 ( 426 PWs) bands (ev): -7.0459 -7.0459 -0.9026 -0.9026 3.4667 3.4667 7.1214 7.1214 12.2840 12.2840 14.2117 14.2117 14.6692 14.6692 14.7402 14.7402 15.1550 15.1550 20.2414 20.2414 k = 0.0231 0.0232-0.0018 ( 427 PWs) bands (ev): -7.0394 -7.0394 -0.8984 -0.8984 3.4731 3.4731 7.1211 7.1211 12.2815 12.2815 14.1741 14.1741 14.6452 14.6452 14.7317 14.7317 15.1164 15.1164 20.2525 20.2525 k = 0.0308 0.0310-0.0023 ( 428 PWs) bands (ev): -7.0304 -7.0304 -0.8924 -0.8924 3.4819 3.4819 7.1209 7.1209 12.2779 12.2779 14.1162 14.1162 14.6137 14.6137 14.7234 14.7234 15.0659 15.0659 20.2689 20.2689 k = 0.0385 0.0387-0.0029 ( 426 PWs) bands (ev): -7.0187 -7.0187 -0.8848 -0.8848 3.4933 3.4933 7.1206 7.1206 12.2726 12.2726 14.0351 14.0351 14.5796 14.5796 14.7123 14.7123 15.0084 15.0084 20.2911 20.2911 k = 0.0462 0.0465-0.0035 ( 426 PWs) bands (ev): -7.0044 -7.0044 -0.8755 -0.8755 3.5071 3.5071 7.1203 7.1203 12.2651 12.2651 13.9299 13.9299 14.5453 14.5453 14.6920 14.6920 14.9522 14.9522 20.3165 20.3165 k = 0.0538 0.0542-0.0041 ( 426 PWs) bands (ev): -6.9876 -6.9876 -0.8645 -0.8645 3.5235 3.5235 7.1200 7.1200 12.2548 12.2548 13.8022 13.8022 14.5098 14.5098 14.6539 14.6539 14.9100 14.9100 20.3462 20.3462 k = 0.0615 0.0619-0.0047 ( 427 PWs) bands (ev): -6.9682 -6.9682 -0.8519 -0.8519 3.5424 3.5424 7.1197 7.1197 12.2408 12.2408 13.6550 13.6550 14.4667 14.4667 14.5975 14.5975 14.8902 14.8902 20.3798 20.3798 k = 0.0692 0.0697-0.0053 ( 427 PWs) bands (ev): -6.9462 -6.9462 -0.8376 -0.8376 3.5637 3.5637 7.1194 7.1194 12.2219 12.2219 13.4922 13.4922 14.4029 14.4029 14.5399 14.5399 14.8902 14.8902 20.4173 20.4173 k = 0.0769 0.0774-0.0059 ( 429 PWs) bands (ev): -6.9217 -6.9217 -0.8216 -0.8216 3.5875 3.5875 7.1192 7.1192 12.1962 12.1962 13.3176 13.3176 14.3106 14.3106 14.4961 14.4961 14.9036 14.9036 20.4584 20.4584 k = 0.0846 0.0852-0.0065 ( 430 PWs) bands (ev): -6.8946 -6.8946 -0.8041 -0.8041 3.6138 3.6138 7.1191 7.1191 12.1618 12.1618 13.1353 13.1353 14.1990 14.1990 14.4622 14.4622 14.9268 14.9268 20.5034 20.5034 k = 0.0923 0.0929-0.0070 ( 432 PWs) bands (ev): -6.8650 -6.8650 -0.7849 -0.7849 3.6425 3.6425 7.1191 7.1191 12.1150 12.1150 12.9501 12.9501 14.0777 14.0777 14.4322 14.4322 14.9571 14.9571 20.5505 20.5505 k = 0.1000 0.1007-0.0076 ( 432 PWs) bands (ev): -6.8328 -6.8328 -0.7642 -0.7642 3.6737 3.6737 7.1192 7.1192 12.0507 12.0507 12.7678 12.7678 13.9528 13.9528 14.4033 14.4033 14.9948 14.9948 20.5999 20.5999 k = 0.1077 0.1084-0.0082 ( 431 PWs) bands (ev): -6.7980 -6.7980 -0.7419 -0.7419 3.7073 3.7073 7.1195 7.1195 11.9622 11.9622 12.5957 12.5957 13.8276 13.8276 14.3743 14.3743 15.0387 15.0387 20.6523 20.6523 k = 0.1154 0.1161-0.0088 ( 431 PWs) bands (ev): -6.7608 -6.7608 -0.7180 -0.7180 3.7432 3.7432 7.1200 7.1200 11.8425 11.8425 12.4407 12.4407 13.7050 13.7050 14.3447 14.3447 15.0886 15.0886 20.7051 20.7051 k = 0.1231 0.1239-0.0094 ( 433 PWs) bands (ev): -6.7211 -6.7211 -0.6927 -0.6927 3.7815 3.7815 7.1204 7.1204 11.6892 11.6892 12.3049 12.3049 13.5871 13.5871 14.3142 14.3142 15.1433 15.1433 20.7586 20.7586 k = 0.1308 0.1316-0.0100 ( 433 PWs) bands (ev): -6.6788 -6.6788 -0.6658 -0.6658 3.8221 3.8221 7.1210 7.1210 11.5076 11.5076 12.1834 12.1834 13.4761 13.4761 14.2828 14.2828 15.2044 15.2044 20.8122 20.8122 k = 0.1385 0.1394-0.0106 ( 432 PWs) bands (ev): -6.6341 -6.6341 -0.6376 -0.6376 3.8651 3.8651 7.1216 7.1216 11.3058 11.3058 12.0679 12.0679 13.3735 13.3735 14.2504 14.2504 15.2710 15.2710 20.8652 20.8652 k = 0.1462 0.1471-0.0112 ( 431 PWs) bands (ev): -6.5869 -6.5869 -0.6079 -0.6079 3.9103 3.9103 7.1222 7.1222 11.0912 11.0912 11.9516 11.9516 13.2800 13.2800 14.2171 14.2171 15.3430 15.3430 20.9162 20.9162 k = 0.1538 0.1549-0.0117 ( 430 PWs) bands (ev): -6.5373 -6.5373 -0.5768 -0.5768 3.9578 3.9578 7.1225 7.1225 10.8689 10.8689 11.8306 11.8306 13.1958 13.1958 14.1829 14.1829 15.4200 15.4200 20.9646 20.9646 k = 0.1615 0.1626-0.0123 ( 428 PWs) bands (ev): -6.4852 -6.4852 -0.5444 -0.5444 4.0075 4.0075 7.1224 7.1224 10.6424 10.6424 11.7031 11.7031 13.1205 13.1205 14.1476 14.1476 15.5022 15.5022 21.0080 21.0080 k = 0.1692 0.1703-0.0129 ( 427 PWs) bands (ev): -6.4307 -6.4307 -0.5107 -0.5107 4.0593 4.0593 7.1217 7.1217 10.4140 10.4140 11.5688 11.5688 13.0532 13.0532 14.1113 14.1113 15.5890 15.5890 21.0447 21.0447 k = 0.1769 0.1781-0.0135 ( 428 PWs) bands (ev): -6.3739 -6.3739 -0.4758 -0.4758 4.1133 4.1133 7.1200 7.1200 10.1853 10.1853 11.4281 11.4281 12.9926 12.9926 14.0740 14.0740 15.6803 15.6803 21.0720 21.0720 k = 0.1846 0.1858-0.0141 ( 428 PWs) bands (ev): -6.3146 -6.3146 -0.4398 -0.4398 4.1695 4.1695 7.1168 7.1168 9.9581 9.9581 11.2821 11.2821 12.9377 12.9377 14.0358 14.0358 15.7762 15.7762 21.0860 21.0860 k = 0.1923 0.1936-0.0147 ( 427 PWs) bands (ev): -6.2531 -6.2531 -0.4026 -0.4026 4.2276 4.2276 7.1115 7.1115 9.7337 9.7337 11.1320 11.1320 12.8870 12.8870 13.9967 13.9967 15.8757 15.8757 21.0816 21.0816 k = 0.2000 0.2013-0.0153 ( 428 PWs) bands (ev): -6.1892 -6.1892 -0.3644 -0.3644 4.2876 4.2876 7.1033 7.1033 9.5135 9.5135 10.9790 10.9790 12.8398 12.8398 13.9564 13.9564 15.9785 15.9785 21.0474 21.0474 k = 0.2077 0.2091-0.0159 ( 428 PWs) bands (ev): -6.1231 -6.1231 -0.3253 -0.3253 4.3496 4.3496 7.0912 7.0912 9.2992 9.2992 10.8240 10.8240 12.7950 12.7950 13.9152 13.9152 16.0849 16.0849 20.9768 20.9768 k = 0.2154 0.2168-0.0164 ( 428 PWs) bands (ev): -6.0547 -6.0547 -0.2853 -0.2853 4.4135 4.4135 7.0735 7.0735 9.0924 9.0924 10.6680 10.6680 12.7520 12.7520 13.8728 13.8728 16.1942 16.1942 20.8704 20.8704 k = 0.2231 0.2246-0.0170 ( 428 PWs) bands (ev): -5.9841 -5.9841 -0.2445 -0.2445 4.4791 4.4791 7.0486 7.0486 8.8953 8.8953 10.5116 10.5116 12.7101 12.7101 13.8293 13.8293 16.3056 16.3056 20.7390 20.7390 k = 0.2308 0.2323-0.0176 ( 428 PWs) bands (ev): -5.9114 -5.9114 -0.2031 -0.2031 4.5465 4.5465 7.0139 7.0139 8.7106 8.7106 10.3559 10.3559 12.6689 12.6689 13.7846 13.7846 16.4188 16.4188 20.5944 20.5944 k = 0.2385 0.2400-0.0182 ( 428 PWs) bands (ev): -5.8366 -5.8366 -0.1611 -0.1611 4.6154 4.6154 6.9666 6.9666 8.5411 8.5411 10.2015 10.2015 12.6279 12.6279 13.7386 13.7386 16.5329 16.5329 20.4447 20.4447 k = 0.2462 0.2478-0.0188 ( 430 PWs) bands (ev): -5.7597 -5.7597 -0.1187 -0.1187 4.6859 4.6859 6.9039 6.9039 8.3895 8.3895 10.0491 10.0491 12.5868 12.5868 13.6911 13.6911 16.6471 16.6471 20.2932 20.2933 k = 0.2538 0.2555-0.0194 ( 430 PWs) bands (ev): -5.6808 -5.6808 -0.0760 -0.0760 4.7579 4.7579 6.8235 6.8235 8.2586 8.2586 9.8997 9.8997 12.5453 12.5453 13.6424 13.6424 16.7604 16.7604 20.1455 20.1455 k = 0.2615 0.2633-0.0200 ( 430 PWs) bands (ev): -5.6000 -5.6000 -0.0332 -0.0332 4.8311 4.8311 6.7240 6.7240 8.1491 8.1491 9.7539 9.7539 12.5034 12.5034 13.5921 13.5921 16.8717 16.8717 20.0012 20.0012 k = 0.2692 0.2710-0.0205 ( 430 PWs) bands (ev): -5.5172 -5.5172 0.0095 0.0095 4.9055 4.9055 6.6064 6.6064 8.0598 8.0598 9.6129 9.6129 12.4606 12.4606 13.5404 13.5404 16.9796 16.9796 19.8627 19.8627 k = 0.2769 0.2788-0.0211 ( 430 PWs) bands (ev): -5.4327 -5.4327 0.0520 0.0520 4.9809 4.9809 6.4730 6.4730 7.9880 7.9880 9.4779 9.4779 12.4169 12.4169 13.4872 13.4872 17.0826 17.0826 19.7299 19.7299 k = 0.2846 0.2865-0.0217 ( 429 PWs) bands (ev): -5.3465 -5.3465 0.0940 0.0940 5.0570 5.0570 6.3273 6.3273 7.9294 7.9294 9.3503 9.3503 12.3721 12.3721 13.4323 13.4323 17.1789 17.1789 19.6032 19.6032 k = 0.2923 0.2942-0.0223 ( 431 PWs) bands (ev): -5.2587 -5.2587 0.1353 0.1353 5.1335 5.1335 6.1731 6.1731 7.8793 7.8793 9.2312 9.2312 12.3261 12.3261 13.3757 13.3757 17.2662 17.2662 19.4802 19.4802 k = 0.3000 0.3020-0.0229 ( 431 PWs) bands (ev): -5.1693 -5.1693 0.1757 0.1757 5.2098 5.2098 6.0143 6.0143 7.8332 7.8332 9.1231 9.1231 12.2788 12.2788 13.3175 13.3175 17.3429 17.3429 19.3632 19.3632 k = 0.3077 0.3097-0.0235 ( 430 PWs) bands (ev): -5.0785 -5.0785 0.2147 0.2147 5.2844 5.2844 5.8547 5.8547 7.7868 7.7868 9.0277 9.0277 12.2303 12.2303 13.2578 13.2578 17.4070 17.4070 19.2495 19.2495 k = 0.3154 0.3175-0.0241 ( 431 PWs) bands (ev): -4.9864 -4.9864 0.2522 0.2522 5.3529 5.3529 5.7012 5.7012 7.7366 7.7366 8.9467 8.9467 12.1802 12.1802 13.1963 13.1963 17.4569 17.4569 19.1379 19.1379 k = 0.3231 0.3252-0.0247 ( 433 PWs) bands (ev): -4.8932 -4.8932 0.2878 0.2878 5.3886 5.3886 5.5819 5.5819 7.6799 7.6799 8.8818 8.8818 12.1288 12.1288 13.1334 13.1334 17.4920 17.4920 19.0270 19.0270 k = 0.3308 0.3330-0.0252 ( 436 PWs) bands (ev): -4.7991 -4.7991 0.3211 0.3211 5.3116 5.3116 5.5779 5.5779 7.6150 7.6150 8.8335 8.8335 12.0760 12.0760 13.0690 13.0690 17.5121 17.5121 18.9167 18.9167 k = 0.3385 0.3407-0.0258 ( 437 PWs) bands (ev): -4.7041 -4.7041 0.3518 0.3518 5.1735 5.1735 5.6389 5.6389 7.5419 7.5419 8.8014 8.8014 12.0218 12.0218 13.0035 13.0035 17.5182 17.5182 18.8073 18.8073 k = 0.3462 0.3484-0.0264 ( 438 PWs) bands (ev): -4.6085 -4.6085 0.3794 0.3794 5.0287 5.0287 5.7114 5.7114 7.4611 7.4611 8.7845 8.7845 11.9662 11.9662 12.9368 12.9368 17.5119 17.5119 18.6995 18.6995 k = 0.3538 0.3562-0.0270 ( 436 PWs) bands (ev): -4.5125 -4.5125 0.4035 0.4035 4.8867 4.8867 5.7864 5.7864 7.3743 7.3743 8.7808 8.7808 11.9094 11.9094 12.8693 12.8693 17.4949 17.4949 18.5948 18.5948 k = 0.3615 0.3639-0.0276 ( 436 PWs) bands (ev): -4.4165 -4.4165 0.4237 0.4237 4.7504 4.7504 5.8611 5.8611 7.2834 7.2834 8.7885 8.7885 11.8515 11.8515 12.8011 12.8011 17.4692 17.4692 18.4933 18.4933 k = 0.3692 0.3717-0.0282 ( 439 PWs) bands (ev): -4.3205 -4.3205 0.4396 0.4396 4.6212 4.6212 5.9346 5.9346 7.1903 7.1903 8.8054 8.8054 11.7925 11.7925 12.7324 12.7324 17.4367 17.4367 18.3964 18.3964 k = 0.3769 0.3794-0.0288 ( 438 PWs) bands (ev): -4.2251 -4.2251 0.4509 0.4509 4.5003 4.5003 6.0059 6.0059 7.0969 7.0969 8.8301 8.8301 11.7329 11.7329 12.6637 12.6637 17.3992 17.3992 18.3057 18.3057 k = 0.3846 0.3872-0.0294 ( 437 PWs) bands (ev): -4.1305 -4.1305 0.4574 0.4574 4.3882 4.3882 6.0739 6.0739 7.0052 7.0052 8.8611 8.8611 11.6727 11.6727 12.5952 12.5952 17.3583 17.3583 18.2213 18.2213 k = 0.3923 0.3949-0.0299 ( 436 PWs) bands (ev): -4.0372 -4.0372 0.4588 0.4588 4.2854 4.2854 6.1373 6.1373 6.9174 6.9174 8.8968 8.8968 11.6122 11.6122 12.5272 12.5272 17.3149 17.3149 18.1443 18.1443 k = 0.4000 0.4026-0.0305 ( 437 PWs) bands (ev): -3.9456 -3.9456 0.4551 0.4551 4.1923 4.1923 6.1937 6.1937 6.8363 6.8363 8.9363 8.9363 11.5518 11.5518 12.4603 12.4603 17.2702 17.2702 18.0739 18.0739 k = 0.4077 0.4104-0.0311 ( 437 PWs) bands (ev): -3.8562 -3.8562 0.4466 0.4466 4.1092 4.1092 6.2397 6.2397 6.7658 6.7658 8.9786 8.9786 11.4919 11.4919 12.3948 12.3948 17.2252 17.2252 18.0107 18.0107 k = 0.4154 0.4181-0.0317 ( 438 PWs) bands (ev): -3.7697 -3.7697 0.4334 0.4334 4.0360 4.0360 6.2701 6.2701 6.7118 6.7118 9.0227 9.0227 11.4329 11.4329 12.3313 12.3313 17.1807 17.1807 17.9546 17.9546 k = 0.4231 0.4259-0.0323 ( 441 PWs) bands (ev): -3.6867 -3.6867 0.4161 0.4161 3.9725 3.9725 6.2786 6.2786 6.6805 6.6805 9.0679 9.0679 11.3753 11.3753 12.2700 12.2700 17.1369 17.1369 17.9041 17.9041 k = 0.4308 0.4336-0.0329 ( 441 PWs) bands (ev): -3.6078 -3.6078 0.3955 0.3955 3.9183 3.9183 6.2634 6.2634 6.6742 6.6742 9.1132 9.1132 11.3197 11.3197 12.2122 12.2122 17.0959 17.0959 17.8614 17.8614 k = 0.4385 0.4414-0.0335 ( 443 PWs) bands (ev): -3.5339 -3.5339 0.3724 0.3724 3.8729 3.8729 6.2304 6.2304 6.6872 6.6872 9.1577 9.1577 11.2667 11.2667 12.1579 12.1579 17.0575 17.0575 17.8243 17.8243 k = 0.4462 0.4491-0.0341 ( 443 PWs) bands (ev): -3.4657 -3.4657 0.3479 0.3479 3.8356 3.8356 6.1886 6.1886 6.7107 6.7107 9.2005 9.2005 11.2170 11.2170 12.1083 12.1083 17.0225 17.0225 17.7931 17.7931 k = 0.4538 0.4568-0.0346 ( 444 PWs) bands (ev): -3.4042 -3.4042 0.3232 0.3232 3.8055 3.8055 6.1450 6.1450 6.7380 6.7380 9.2406 9.2406 11.1714 11.1714 12.0635 12.0635 16.9913 16.9913 17.7667 17.7667 k = 0.4615 0.4646-0.0352 ( 443 PWs) bands (ev): -3.3502 -3.3502 0.2996 0.2996 3.7820 3.7820 6.1039 6.1039 6.7650 6.7650 9.2771 9.2771 11.1307 11.1307 12.0248 12.0248 16.9651 16.9651 17.7459 17.7459 k = 0.4692 0.4723-0.0358 ( 443 PWs) bands (ev): -3.3046 -3.3046 0.2782 0.2782 3.7640 3.7640 6.0678 6.0678 6.7891 6.7891 9.3088 9.3088 11.0958 11.0958 11.9919 11.9919 16.9427 16.9427 17.7290 17.7290 k = 0.4769 0.4801-0.0364 ( 445 PWs) bands (ev): -3.2681 -3.2681 0.2602 0.2602 3.7510 3.7510 6.0384 6.0384 6.8090 6.8090 9.3347 9.3347 11.0674 11.0674 11.9656 11.9656 16.9247 16.9247 17.7161 17.7161 k = 0.4846 0.4878-0.0370 ( 447 PWs) bands (ev): -3.2416 -3.2416 0.2465 0.2465 3.7421 3.7421 6.0167 6.0167 6.8237 6.8237 9.3540 9.3540 11.0465 11.0465 11.9466 11.9466 16.9118 16.9118 17.7070 17.7070 k = 0.4923 0.4956-0.0376 ( 446 PWs) bands (ev): -3.2254 -3.2254 0.2380 0.2380 3.7370 3.7370 6.0035 6.0035 6.8328 6.8328 9.3660 9.3660 11.0337 11.0337 11.9352 11.9352 16.9042 16.9042 17.7019 17.7019 k = 0.5000 0.5033-0.0382 ( 444 PWs) bands (ev): -3.2200 -3.2200 0.2351 0.2351 3.7354 3.7354 5.9991 5.9991 6.8358 6.8358 9.3700 9.3700 11.0294 11.0294 11.9314 11.9314 16.9024 16.9024 17.7004 17.7004 k = 0.5000 0.5033 0.3919 ( 440 PWs) bands (ev): -1.6725 -1.6725 -1.3532 -1.3532 3.7865 3.7865 3.9998 3.9998 7.6249 7.6249 8.2643 8.2643 12.1663 12.1663 12.3816 12.3816 17.6315 17.6315 18.2436 18.2436 k = 0.4932 0.4965 0.3866 ( 440 PWs) bands (ev): -1.6856 -1.6856 -1.3462 -1.3462 3.7902 3.7902 4.0064 4.0064 7.6234 7.6234 8.2653 8.2653 12.1683 12.1683 12.3815 12.3815 17.6175 17.6175 18.2478 18.2478 k = 0.4865 0.4897 0.3813 ( 440 PWs) bands (ev): -1.7219 -1.7219 -1.3284 -1.3284 3.8015 3.8015 4.0263 4.0263 7.6192 7.6192 8.2685 8.2685 12.1742 12.1742 12.3813 12.3813 17.5765 17.5765 18.2587 18.2587 k = 0.4797 0.4829 0.3760 ( 440 PWs) bands (ev): -1.7753 -1.7753 -1.3054 -1.3054 3.8199 3.8199 4.0594 4.0594 7.6122 7.6122 8.2739 8.2739 12.1835 12.1835 12.3816 12.3816 17.5134 17.5134 18.2740 18.2740 k = 0.4730 0.4761 0.3707 ( 441 PWs) bands (ev): -1.8410 -1.8410 -1.2818 -1.2818 3.8453 3.8453 4.1055 4.1055 7.6027 7.6027 8.2813 8.2813 12.1947 12.1947 12.3834 12.3834 17.4330 17.4330 18.2902 18.2902 k = 0.4662 0.4693 0.3654 ( 441 PWs) bands (ev): -1.9159 -1.9159 -1.2600 -1.2600 3.8772 3.8772 4.1645 4.1645 7.5907 7.5907 8.2909 8.2909 12.2052 12.2052 12.3889 12.3889 17.3405 17.3405 18.3054 18.3054 k = 0.4595 0.4625 0.3601 ( 440 PWs) bands (ev): -1.9981 -1.9981 -1.2413 -1.2413 3.9155 3.9155 4.2360 4.2360 7.5764 7.5764 8.3025 8.3025 12.2119 12.2119 12.4007 12.4007 17.2398 17.2398 18.3186 18.3186 k = 0.4527 0.4557 0.3548 ( 439 PWs) bands (ev): -2.0864 -2.0864 -1.2261 -1.2261 3.9597 3.9597 4.3193 4.3193 7.5600 7.5600 8.3160 8.3160 12.2118 12.2118 12.4212 12.4212 17.1342 17.1342 18.3293 18.3293 k = 0.4459 0.4489 0.3495 ( 440 PWs) bands (ev): -2.1798 -2.1798 -1.2147 -1.2147 4.0097 4.0097 4.4137 4.4137 7.5418 7.5418 8.3316 8.3316 12.2034 12.2034 12.4513 12.4513 17.0257 17.0257 18.3371 18.3371 k = 0.4392 0.4421 0.3442 ( 440 PWs) bands (ev): -2.2777 -2.2777 -1.2069 -1.2069 4.0651 4.0651 4.5186 4.5186 7.5222 7.5222 8.3489 8.3489 12.1866 12.1866 12.4902 12.4902 16.9184 16.9184 18.3425 18.3425 k = 0.4324 0.4353 0.3389 ( 437 PWs) bands (ev): -2.3792 -2.3792 -1.2025 -1.2025 4.1256 4.1256 4.6335 4.6335 7.5013 7.5013 8.3682 8.3682 12.1623 12.1623 12.5365 12.5365 16.8145 16.8145 18.3459 18.3459 k = 0.4257 0.4285 0.3336 ( 436 PWs) bands (ev): -2.4840 -2.4840 -1.2013 -1.2013 4.1911 4.1911 4.7574 4.7574 7.4796 7.4796 8.3891 8.3891 12.1307 12.1307 12.5889 12.5889 16.7151 16.7151 18.3473 18.3473 k = 0.4189 0.4217 0.3283 ( 437 PWs) bands (ev): -2.5915 -2.5915 -1.2028 -1.2028 4.2610 4.2610 4.8895 4.8895 7.4574 7.4574 8.4117 8.4117 12.0920 12.0920 12.6464 12.6464 16.6216 16.6216 18.3472 18.3472 k = 0.4122 0.4149 0.3230 ( 438 PWs) bands (ev): -2.7011 -2.7011 -1.2069 -1.2069 4.3350 4.3350 5.0293 5.0293 7.4350 7.4350 8.4357 8.4357 12.0465 12.0465 12.7081 12.7081 16.5362 16.5362 18.3456 18.3456 k = 0.4054 0.4081 0.3177 ( 436 PWs) bands (ev): -2.8126 -2.8126 -1.2131 -1.2131 4.4128 4.4128 5.1762 5.1762 7.4129 7.4129 8.4613 8.4613 11.9943 11.9943 12.7736 12.7736 16.4601 16.4601 18.3430 18.3430 k = 0.3986 0.4013 0.3124 ( 436 PWs) bands (ev): -2.9255 -2.9255 -1.2212 -1.2212 4.4938 4.4938 5.3295 5.3295 7.3916 7.3916 8.4880 8.4880 11.9352 11.9352 12.8420 12.8420 16.3940 16.3940 18.3396 18.3396 k = 0.3919 0.3945 0.3071 ( 433 PWs) bands (ev): -3.0395 -3.0395 -1.2308 -1.2308 4.5777 4.5777 5.4887 5.4887 7.3715 7.3715 8.5158 8.5158 11.8696 11.8696 12.9130 12.9130 16.3400 16.3400 18.3356 18.3356 k = 0.3851 0.3877 0.3018 ( 436 PWs) bands (ev): -3.1543 -3.1543 -1.2415 -1.2415 4.6636 4.6636 5.6531 5.6531 7.3532 7.3532 8.5444 8.5444 11.7976 11.7976 12.9859 12.9859 16.2952 16.2952 18.3309 18.3309 k = 0.3784 0.3809 0.2965 ( 436 PWs) bands (ev): -3.2694 -3.2694 -1.2532 -1.2532 4.7510 4.7510 5.8223 5.8223 7.3374 7.3374 8.5735 8.5735 11.7200 11.7200 13.0602 13.0602 16.2634 16.2634 18.3255 18.3255 k = 0.3716 0.3741 0.2912 ( 437 PWs) bands (ev): -3.3848 -3.3848 -1.2656 -1.2656 4.8392 4.8392 5.9956 5.9956 7.3247 7.3247 8.6028 8.6028 11.6371 11.6371 13.1354 13.1354 16.2433 16.2433 18.3197 18.3197 k = 0.3649 0.3673 0.2859 ( 437 PWs) bands (ev): -3.5002 -3.5002 -1.2784 -1.2784 4.9274 4.9274 6.1728 6.1728 7.3160 7.3160 8.6321 8.6321 11.5501 11.5501 13.2111 13.2111 16.2353 16.2353 18.3133 18.3133 k = 0.3581 0.3605 0.2807 ( 437 PWs) bands (ev): -3.6152 -3.6152 -1.2915 -1.2915 5.0145 5.0145 6.3531 6.3531 7.3122 7.3122 8.6608 8.6608 11.4598 11.4598 13.2868 13.2868 16.2390 16.2390 18.3062 18.3062 k = 0.3514 0.3537 0.2754 ( 437 PWs) bands (ev): -3.7298 -3.7298 -1.3045 -1.3045 5.0996 5.0996 6.5361 6.5361 7.3146 7.3146 8.6884 8.6884 11.3675 11.3675 13.3620 13.3620 16.2539 16.2539 18.2983 18.2983 k = 0.3446 0.3469 0.2701 ( 436 PWs) bands (ev): -3.8438 -3.8438 -1.3174 -1.3174 5.1815 5.1815 6.7208 6.7208 7.3245 7.3245 8.7143 8.7143 11.2746 11.2746 13.4363 13.4363 16.2795 16.2795 18.2891 18.2891 k = 0.3378 0.3401 0.2648 ( 435 PWs) bands (ev): -3.9569 -3.9569 -1.3300 -1.3300 5.2590 5.2590 6.9059 6.9059 7.3441 7.3441 8.7379 8.7379 11.1824 11.1824 13.5092 13.5092 16.3150 16.3150 18.2783 18.2783 k = 0.3311 0.3333 0.2595 ( 434 PWs) bands (ev): -4.0691 -4.0691 -1.3421 -1.3421 5.3307 5.3307 7.0879 7.0879 7.3778 7.3778 8.7583 8.7583 11.0927 11.0927 13.5802 13.5802 16.3602 16.3602 18.2658 18.2658 k = 0.3243 0.3265 0.2542 ( 433 PWs) bands (ev): -4.1801 -4.1801 -1.3536 -1.3536 5.3954 5.3954 7.2546 7.2546 7.4383 7.4383 8.7748 8.7748 11.0072 11.0072 13.6490 13.6490 16.4128 16.4128 18.2510 18.2510 k = 0.3176 0.3197 0.2489 ( 434 PWs) bands (ev): -4.2900 -4.2900 -1.3644 -1.3644 5.4520 5.4520 7.3751 7.3751 7.5564 7.5564 8.7865 8.7865 10.9277 10.9277 13.7150 13.7150 16.4719 16.4719 18.2334 18.2334 k = 0.3108 0.3129 0.2436 ( 434 PWs) bands (ev): -4.3985 -4.3985 -1.3743 -1.3743 5.4996 5.4996 7.4566 7.4566 7.7253 7.7253 8.7928 8.7928 10.8562 10.8562 13.7779 13.7779 16.5364 16.5364 18.2132 18.2132 k = 0.3041 0.3061 0.2383 ( 434 PWs) bands (ev): -4.5055 -4.5055 -1.3833 -1.3833 5.5377 5.5377 7.5333 7.5333 7.9098 7.9098 8.7938 8.7938 10.7942 10.7942 13.8375 13.8375 16.6041 16.6041 18.1910 18.1910 k = 0.2973 0.2993 0.2330 ( 436 PWs) bands (ev): -4.6110 -4.6110 -1.3913 -1.3913 5.5660 5.5660 7.6163 7.6163 8.0961 8.0961 8.7907 8.7907 10.7432 10.7432 13.8934 13.8934 16.6721 16.6721 18.1685 18.1685 k = 0.2905 0.2925 0.2277 ( 433 PWs) bands (ev): -4.7149 -4.7149 -1.3981 -1.3981 5.5847 5.5847 7.7078 7.7078 8.2764 8.2764 8.7885 8.7885 10.7047 10.7047 13.9457 13.9457 16.7375 16.7375 18.1493 18.1493 k = 0.2838 0.2857 0.2224 ( 433 PWs) bands (ev): -4.8171 -4.8171 -1.4039 -1.4039 5.5941 5.5941 7.8070 7.8070 8.4342 8.4342 8.8031 8.8031 10.6793 10.6793 13.9936 13.9936 16.7949 16.7949 18.1365 18.1365 k = 0.2770 0.2789 0.2171 ( 434 PWs) bands (ev): -4.9174 -4.9174 -1.4084 -1.4084 5.5948 5.5948 7.9119 7.9119 8.5330 8.5330 8.8726 8.8726 10.6670 10.6670 14.0371 14.0371 16.8388 16.8388 18.1364 18.1364 k = 0.2703 0.2721 0.2118 ( 434 PWs) bands (ev): -5.0160 -5.0160 -1.4117 -1.4117 5.5873 5.5873 8.0174 8.0174 8.5611 8.5611 9.0132 9.0132 10.6676 10.6676 14.0764 14.0764 16.8645 16.8645 18.1554 18.1554 k = 0.2635 0.2653 0.2065 ( 434 PWs) bands (ev): -5.1126 -5.1126 -1.4137 -1.4137 5.5725 5.5725 8.1133 8.1133 8.5641 8.5641 9.1899 9.1899 10.6804 10.6804 14.1114 14.1114 16.8674 16.8674 18.1979 18.1979 k = 0.2568 0.2585 0.2012 ( 435 PWs) bands (ev): -5.2072 -5.2072 -1.4144 -1.4144 5.5508 5.5508 8.1793 8.1793 8.5856 8.5856 9.3794 9.3794 10.7042 10.7042 14.1421 14.1421 16.8464 16.8464 18.2673 18.2673 k = 0.2500 0.2517 0.1959 ( 434 PWs) bands (ev): -5.2998 -5.2998 -1.4137 -1.4137 5.5228 5.5228 8.1957 8.1957 8.6541 8.6541 9.5742 9.5742 10.7382 10.7382 14.1684 14.1684 16.8037 16.8037 18.3620 18.3620 k = 0.2432 0.2449 0.1906 ( 434 PWs) bands (ev): -5.3904 -5.3904 -1.4117 -1.4117 5.4891 5.4891 8.1691 8.1691 8.7658 8.7658 9.7709 9.7709 10.7812 10.7812 14.1908 14.1908 16.7420 16.7420 18.4794 18.4794 k = 0.2365 0.2381 0.1853 ( 433 PWs) bands (ev): -5.4788 -5.4788 -1.4083 -1.4083 5.4501 5.4501 8.1191 8.1191 8.9033 8.9033 9.9681 9.9681 10.8324 10.8324 14.2093 14.2093 16.6664 16.6664 18.6166 18.6166 k = 0.2297 0.2312 0.1800 ( 434 PWs) bands (ev): -5.5651 -5.5651 -1.4035 -1.4035 5.4060 5.4060 8.0582 8.0582 9.0552 9.0552 10.1648 10.1648 10.8908 10.8908 14.2238 14.2238 16.5804 16.5804 18.7700 18.7700 k = 0.2230 0.2244 0.1747 ( 433 PWs) bands (ev): -5.6492 -5.6492 -1.3974 -1.3974 5.3572 5.3572 7.9925 7.9925 9.2164 9.2164 10.3602 10.3602 10.9562 10.9562 14.2350 14.2350 16.4877 16.4877 18.9376 18.9376 k = 0.2162 0.2176 0.1695 ( 434 PWs) bands (ev): -5.7310 -5.7310 -1.3900 -1.3900 5.3040 5.3040 7.9251 7.9251 9.3840 9.3840 10.5530 10.5530 11.0284 11.0284 14.2429 14.2429 16.3900 16.3900 19.1169 19.1169 k = 0.2095 0.2108 0.1642 ( 434 PWs) bands (ev): -5.8106 -5.8106 -1.3812 -1.3812 5.2467 5.2467 7.8582 7.8582 9.5565 9.5565 10.7413 10.7413 11.1089 11.1089 14.2479 14.2479 16.2900 16.2900 19.3064 19.3064 k = 0.2027 0.2040 0.1589 ( 434 PWs) bands (ev): -5.8879 -5.8879 -1.3711 -1.3711 5.1856 5.1856 7.7930 7.7930 9.7327 9.7327 10.9206 10.9206 11.2011 11.2011 14.2503 14.2503 16.1889 16.1889 19.5049 19.5049 k = 0.1959 0.1972 0.1536 ( 435 PWs) bands (ev): -5.9628 -5.9628 -1.3598 -1.3598 5.1210 5.1210 7.7303 7.7303 9.9119 9.9119 11.0826 11.0826 11.3127 11.3127 14.2505 14.2505 16.0880 16.0880 19.7121 19.7121 k = 0.1892 0.1904 0.1483 ( 434 PWs) bands (ev): -6.0354 -6.0354 -1.3472 -1.3472 5.0532 5.0532 7.6707 7.6707 10.0932 10.0932 11.2177 11.2177 11.4526 11.4526 14.2488 14.2488 15.9882 15.9882 19.9254 19.9254 k = 0.1824 0.1836 0.1430 ( 433 PWs) bands (ev): -6.1057 -6.1057 -1.3335 -1.3335 4.9825 4.9825 7.6146 7.6146 10.2759 10.2759 11.3296 11.3296 11.6171 11.6171 14.2456 14.2456 15.8904 15.8904 20.1462 20.1462 k = 0.1757 0.1768 0.1377 ( 431 PWs) bands (ev): -6.1735 -6.1735 -1.3186 -1.3186 4.9094 4.9094 7.5621 7.5621 10.4594 10.4594 11.4300 11.4300 11.7940 11.7940 14.2414 14.2414 15.7951 15.7951 20.3690 20.3690 k = 0.1689 0.1700 0.1324 ( 430 PWs) bands (ev): -6.2389 -6.2389 -1.3027 -1.3027 4.8343 4.8343 7.5134 7.5134 10.6421 10.6421 11.5260 11.5260 11.9756 11.9756 14.2365 14.2365 15.7029 15.7029 20.5934 20.5934 k = 0.1622 0.1632 0.1271 ( 429 PWs) bands (ev): -6.3019 -6.3019 -1.2857 -1.2857 4.7574 4.7574 7.4685 7.4685 10.8231 10.8231 11.6214 11.6214 12.1584 12.1584 14.2315 14.2315 15.6142 15.6142 20.8144 20.8144 k = 0.1554 0.1564 0.1218 ( 429 PWs) bands (ev): -6.3625 -6.3625 -1.2679 -1.2679 4.6793 4.6793 7.4274 7.4274 11.0006 11.0006 11.7184 11.7184 12.3409 12.3409 14.2268 14.2268 15.5293 15.5293 21.0145 21.0145 k = 0.1486 0.1496 0.1165 ( 429 PWs) bands (ev): -6.4205 -6.4205 -1.2493 -1.2493 4.6004 4.6004 7.3898 7.3898 11.1724 11.1724 11.8191 11.8191 12.5220 12.5220 14.2230 14.2230 15.4485 15.4485 21.1276 21.1276 k = 0.1419 0.1428 0.1112 ( 429 PWs) bands (ev): -6.4761 -6.4761 -1.2299 -1.2299 4.5212 4.5212 7.3559 7.3559 11.3353 11.3353 11.9258 11.9258 12.7012 12.7012 14.2207 14.2207 15.3727 15.3727 21.1235 21.1235 k = 0.1351 0.1360 0.1059 ( 429 PWs) bands (ev): -6.5292 -6.5292 -1.2099 -1.2099 4.4420 4.4420 7.3251 7.3251 11.4857 11.4857 12.0415 12.0415 12.8779 12.8779 14.2205 14.2205 15.3011 15.3011 21.0815 21.0815 k = 0.1284 0.1292 0.1006 ( 429 PWs) bands (ev): -6.5798 -6.5798 -1.1894 -1.1894 4.3634 4.3634 7.2975 7.2975 11.6202 11.6202 12.1689 12.1689 13.0516 13.0516 14.2230 14.2230 15.2338 15.2338 21.0312 21.0312 k = 0.1216 0.1224 0.0953 ( 428 PWs) bands (ev): -6.6278 -6.6278 -1.1685 -1.1685 4.2857 4.2857 7.2728 7.2728 11.7366 11.7366 12.3086 12.3086 13.2218 13.2218 14.2288 14.2288 15.1713 15.1713 20.9783 20.9783 k = 0.1149 0.1156 0.0900 ( 428 PWs) bands (ev): -6.6733 -6.6733 -1.1474 -1.1474 4.2093 4.2093 7.2507 7.2507 11.8353 11.8353 12.4591 12.4591 13.3879 13.3879 14.2386 14.2386 15.1135 15.1135 20.9243 20.9243 k = 0.1081 0.1088 0.0847 ( 429 PWs) bands (ev): -6.7162 -6.7162 -1.1262 -1.1262 4.1347 4.1347 7.2311 7.2311 11.9184 11.9184 12.6175 12.6175 13.5491 13.5491 14.2530 14.2530 15.0605 15.0605 20.8702 20.8702 k = 0.1014 0.1020 0.0794 ( 430 PWs) bands (ev): -6.7566 -6.7566 -1.1050 -1.1050 4.0623 4.0623 7.2138 7.2138 11.9884 11.9884 12.7802 12.7802 13.7044 13.7044 14.2728 14.2728 15.0124 15.0124 20.8159 20.8159 k = 0.0946 0.0952 0.0741 ( 429 PWs) bands (ev): -6.7945 -6.7945 -1.0840 -1.0840 3.9925 3.9925 7.1987 7.1987 12.0473 12.0473 12.9443 12.9443 13.8524 13.8524 14.2991 14.2991 14.9692 14.9692 20.7623 20.7623 k = 0.0878 0.0884 0.0688 ( 430 PWs) bands (ev): -6.8297 -6.8297 -1.0634 -1.0634 3.9255 3.9255 7.1854 7.1854 12.0967 12.0967 13.1065 13.1065 13.9906 13.9906 14.3334 14.3334 14.9308 14.9308 20.7091 20.7091 k = 0.0811 0.0816 0.0635 ( 430 PWs) bands (ev): -6.8624 -6.8624 -1.0433 -1.0433 3.8619 3.8619 7.1738 7.1738 12.1379 12.1379 13.2649 13.2649 14.1150 14.1150 14.3786 14.3786 14.8980 14.8980 20.6564 20.6564 k = 0.0743 0.0748 0.0582 ( 429 PWs) bands (ev): -6.8925 -6.8925 -1.0240 -1.0240 3.8020 3.8020 7.1639 7.1639 12.1720 12.1720 13.4171 13.4171 14.2202 14.2202 14.4388 14.4388 14.8718 14.8718 20.6043 20.6043 k = 0.0676 0.0680 0.0530 ( 428 PWs) bands (ev): -6.9200 -6.9200 -1.0056 -1.0056 3.7460 3.7460 7.1553 7.1553 12.1999 12.1999 13.5612 13.5612 14.3031 14.3031 14.5138 14.5138 14.8527 14.8527 20.5530 20.5530 k = 0.0608 0.0612 0.0477 ( 428 PWs) bands (ev): -6.9448 -6.9448 -0.9882 -0.9882 3.6942 3.6942 7.1480 7.1480 12.2223 12.2223 13.6950 13.6950 14.3688 14.3688 14.5934 14.5934 14.8452 14.8452 20.5020 20.5020 k = 0.0541 0.0544 0.0424 ( 427 PWs) bands (ev): -6.9671 -6.9671 -0.9721 -0.9721 3.6470 3.6470 7.1418 7.1418 12.2400 12.2400 13.8164 13.8164 14.4255 14.4255 14.6599 14.6599 14.8577 14.8577 20.4536 20.4536 k = 0.0473 0.0476 0.0371 ( 426 PWs) bands (ev): -6.9868 -6.9868 -0.9574 -0.9574 3.6047 3.6047 7.1366 7.1366 12.2537 12.2537 13.9234 13.9234 14.4780 14.4780 14.6978 14.6978 14.8986 14.8986 20.4077 20.4077 k = 0.0405 0.0408 0.0318 ( 426 PWs) bands (ev): -7.0038 -7.0038 -0.9443 -0.9443 3.5675 3.5675 7.1324 7.1324 12.2641 12.2641 14.0143 14.0143 14.5279 14.5279 14.7129 14.7129 14.9587 14.9587 20.3651 20.3651 k = 0.0338 0.0340 0.0265 ( 426 PWs) bands (ev): -7.0183 -7.0183 -0.9329 -0.9329 3.5356 3.5356 7.1289 7.1289 12.2718 12.2718 14.0886 14.0886 14.5748 14.5748 14.7191 14.7191 15.0216 15.0216 20.3269 20.3269 k = 0.0270 0.0272 0.0212 ( 426 PWs) bands (ev): -7.0301 -7.0301 -0.9234 -0.9234 3.5092 3.5092 7.1261 7.1261 12.2774 12.2774 14.1463 14.1463 14.6165 14.6165 14.7241 14.7241 15.0783 15.0783 20.2939 20.2939 k = 0.0203 0.0204 0.0159 ( 426 PWs) bands (ev): -7.0393 -7.0393 -0.9159 -0.9159 3.4885 3.4885 7.1241 7.1241 12.2813 12.2813 14.1887 14.1887 14.6497 14.6497 14.7307 14.7307 15.1249 15.1249 20.2673 20.2673 k = 0.0135 0.0136 0.0106 ( 426 PWs) bands (ev): -7.0458 -7.0458 -0.9104 -0.9104 3.4736 3.4736 7.1227 7.1227 12.2839 12.2839 14.2173 14.2173 14.6719 14.6719 14.7396 14.7396 15.1592 15.1592 20.2475 20.2475 k = 0.0068 0.0068 0.0053 ( 425 PWs) bands (ev): -7.0498 -7.0498 -0.9071 -0.9071 3.4647 3.4647 7.1218 7.1218 12.2854 12.2854 14.2339 14.2339 14.6833 14.6833 14.7480 14.7480 15.1802 15.1802 20.2360 20.2360 k = 0.0000 0.0000 0.0000 ( 427 PWs) bands (ev): -7.0511 -7.0511 -0.9060 -0.9060 3.4617 3.4617 7.1215 7.1215 12.2858 12.2858 14.2392 14.2392 14.6867 14.6867 14.7513 14.7513 15.1872 15.1872 20.2313 20.2313 Writing output data file Se.save init_run : 0.38s CPU 0.24s WALL ( 1 calls) electrons : 107.87s CPU 57.47s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.23s CPU 0.15s WALL ( 1 calls) Called by electrons: c_bands : 107.83s CPU 57.44s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.07s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.12s CPU 0.06s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.01s WALL ( 564 calls) cegterg : 99.61s CPU 52.44s WALL ( 577 calls) Called by sum_band: Called by *egterg: h_psi : 41.09s CPU 22.67s WALL ( 9010 calls) s_psi : 0.54s CPU 0.28s WALL ( 9010 calls) g_psi : 0.05s CPU 0.02s WALL ( 7869 calls) cdiaghg : 57.20s CPU 29.35s WALL ( 8433 calls) cegterg:over : 2.41s CPU 1.21s WALL ( 7869 calls) cegterg:upda : 1.62s CPU 0.90s WALL ( 7869 calls) cegterg:last : 0.85s CPU 0.43s WALL ( 1626 calls) cdiaghg:chol : 2.81s CPU 1.45s WALL ( 8433 calls) cdiaghg:inve : 0.53s CPU 0.30s WALL ( 8433 calls) cdiaghg:para : 3.70s CPU 1.94s WALL ( 16866 calls) Called by h_psi: h_psi:vloc : 39.33s CPU 21.64s WALL ( 9010 calls) h_psi:vnl : 1.71s CPU 0.99s WALL ( 9010 calls) add_vuspsi : 0.70s CPU 0.39s WALL ( 9010 calls) General routines calbec : 0.95s CPU 0.57s WALL ( 9010 calls) fft : 0.10s CPU 0.05s WALL ( 19 calls) ffts : 0.01s CPU 0.00s WALL ( 4 calls) fftw : 37.82s CPU 20.80s WALL ( 387924 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.30s CPU 0.19s WALL ( 1128 calls) Parallel routines fft_scatter : 21.45s CPU 11.76s WALL ( 387947 calls) PWSCF : 1m55.31s CPU 1m29.81s WALL This run was terminated on: 4:42:13 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. 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