Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 1:38 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors 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: ./NaYSe2.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) 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 74 61 17 1883 1407 215 Max 75 62 18 1885 1423 217 Sum 2675 2213 627 67821 50949 7759 bravais-lattice index = 14 lattice parameter (alat) = 13.8629 a.u. unit-cell volume = 687.7954 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.862946 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.842446 celldm(5)= 0.842446 celldm(6)= 0.842446 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.842446 0.538781 0.000000 ) a(3) = ( 0.842446 0.246354 0.479160 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.563616 -0.954260 ) b(2) = ( 0.000000 1.856043 -0.954260 ) b(3) = ( 0.000000 0.000000 2.086985 ) 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 PseudoPot. # 2 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Na 9.00 22.98980 Na( 1.00) Y 11.00 88.90590 Y( 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= 297 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0111111 -0.0173735 -0.0106029), wk = 0.0033670 k( 3) = ( 0.0222222 -0.0347470 -0.0212058), wk = 0.0033670 k( 4) = ( 0.0333333 -0.0521205 -0.0318087), wk = 0.0033670 k( 5) = ( 0.0444444 -0.0694940 -0.0424115), wk = 0.0033670 k( 6) = ( 0.0555556 -0.0868675 -0.0530144), wk = 0.0033670 k( 7) = ( 0.0666667 -0.1042411 -0.0636173), wk = 0.0033670 k( 8) = ( 0.0777778 -0.1216146 -0.0742202), wk = 0.0033670 k( 9) = ( 0.0888889 -0.1389881 -0.0848231), wk = 0.0033670 k( 10) = ( 0.1000000 -0.1563616 -0.0954260), wk = 0.0033670 k( 11) = ( 0.1111111 -0.1737351 -0.1060289), wk = 0.0033670 k( 12) = ( 0.1222222 -0.1911086 -0.1166317), wk = 0.0033670 k( 13) = ( 0.1333333 -0.2084821 -0.1272346), wk = 0.0033670 k( 14) = ( 0.1444444 -0.2258556 -0.1378375), wk = 0.0033670 k( 15) = ( 0.1555556 -0.2432291 -0.1484404), wk = 0.0033670 k( 16) = ( 0.1666667 -0.2606026 -0.1590433), wk = 0.0033670 k( 17) = ( 0.1777778 -0.2779761 -0.1696462), wk = 0.0033670 k( 18) = ( 0.1888889 -0.2953496 -0.1802491), wk = 0.0033670 k( 19) = ( 0.2000000 -0.3127232 -0.1908520), wk = 0.0033670 k( 20) = ( 0.2111111 -0.3300967 -0.2014548), wk = 0.0033670 k( 21) = ( 0.2222222 -0.3474702 -0.2120577), wk = 0.0033670 k( 22) = ( 0.2333333 -0.3648437 -0.2226606), wk = 0.0033670 k( 23) = ( 0.2444444 -0.3822172 -0.2332635), wk = 0.0033670 k( 24) = ( 0.2555556 -0.3995907 -0.2438664), wk = 0.0033670 k( 25) = ( 0.2666667 -0.4169642 -0.2544693), wk = 0.0033670 k( 26) = ( 0.2777778 -0.4343377 -0.2650722), wk = 0.0033670 k( 27) = ( 0.2888889 -0.4517112 -0.2756751), wk = 0.0033670 k( 28) = ( 0.3000000 -0.4690847 -0.2862779), wk = 0.0033670 k( 29) = ( 0.3111111 -0.4864582 -0.2968808), wk = 0.0033670 k( 30) = ( 0.3222222 -0.5038317 -0.3074837), wk = 0.0033670 k( 31) = ( 0.3333333 -0.5212052 -0.3180866), wk = 0.0033670 k( 32) = ( 0.3444444 -0.5385788 -0.3286895), wk = 0.0033670 k( 33) = ( 0.3555556 -0.5559523 -0.3392924), wk = 0.0033670 k( 34) = ( 0.3666667 -0.5733258 -0.3498953), wk = 0.0033670 k( 35) = ( 0.3777778 -0.5906993 -0.3604981), wk = 0.0033670 k( 36) = ( 0.3888889 -0.6080728 -0.3711010), wk = 0.0033670 k( 37) = ( 0.4000000 -0.6254463 -0.3817039), wk = 0.0033670 k( 38) = ( 0.4111111 -0.6428198 -0.3923068), wk = 0.0033670 k( 39) = ( 0.4222222 -0.6601933 -0.4029097), wk = 0.0033670 k( 40) = ( 0.4333333 -0.6775668 -0.4135126), wk = 0.0033670 k( 41) = ( 0.4444444 -0.6949403 -0.4241155), wk = 0.0033670 k( 42) = ( 0.4555556 -0.7123139 -0.4347184), wk = 0.0033670 k( 43) = ( 0.4666667 -0.7296874 -0.4453212), wk = 0.0033670 k( 44) = ( 0.4777778 -0.7470609 -0.4559241), wk = 0.0033670 k( 45) = ( 0.4888889 -0.7644344 -0.4665270), wk = 0.0033670 k( 46) = ( 0.5000000 -0.7818079 -0.4771299), wk = 0.0033670 k( 47) = ( 0.5000000 -0.7818079 -0.4771299), wk = 0.0033670 k( 48) = ( 0.5000000 -0.7698891 -0.4966596), wk = 0.0033670 k( 49) = ( 0.5000000 -0.7579702 -0.5161894), wk = 0.0033670 k( 50) = ( 0.5000000 -0.7460514 -0.5357191), wk = 0.0033670 k( 51) = ( 0.5000000 -0.7341326 -0.5552489), wk = 0.0033670 k( 52) = ( 0.5000000 -0.7222138 -0.5747786), wk = 0.0033670 k( 53) = ( 0.5000000 -0.7102950 -0.5943084), wk = 0.0033670 k( 54) = ( 0.5000000 -0.6983762 -0.6138381), wk = 0.0033670 k( 55) = ( 0.5000000 -0.6864573 -0.6333678), wk = 0.0033670 k( 56) = ( 0.5000000 -0.6745385 -0.6528976), wk = 0.0033670 k( 57) = ( 0.5000000 -0.6626197 -0.6724273), wk = 0.0033670 k( 58) = ( 0.5000000 -0.6507009 -0.6919571), wk = 0.0033670 k( 59) = ( 0.5000000 -0.6387821 -0.7114868), wk = 0.0033670 k( 60) = ( 0.5000000 -0.6268633 -0.7310166), wk = 0.0033670 k( 61) = ( 0.5000000 -0.6149445 -0.7505463), wk = 0.0033670 k( 62) = ( 0.5000000 -0.6030256 -0.7700761), wk = 0.0033670 k( 63) = ( 0.5000000 -0.5911068 -0.7896058), wk = 0.0033670 k( 64) = ( 0.5000000 -0.5791880 -0.8091355), wk = 0.0033670 k( 65) = ( 0.5000000 -0.5672692 -0.8286653), wk = 0.0033670 k( 66) = ( 0.5000000 -0.5553504 -0.8481950), wk = 0.0033670 k( 67) = ( 0.5000000 -0.5434316 -0.8677248), wk = 0.0033670 k( 68) = ( 0.5000000 -0.5315127 -0.8872545), wk = 0.0033670 k( 69) = ( 0.5000000 -0.5195939 -0.9067843), wk = 0.0033670 k( 70) = ( 0.5000000 -0.5076751 -0.9263140), wk = 0.0033670 k( 71) = ( 0.5000000 -0.4957563 -0.9458437), wk = 0.0033670 k( 72) = ( 0.5000000 -0.4838375 -0.9653735), wk = 0.0033670 k( 73) = ( 0.5000000 -0.4719187 -0.9849032), wk = 0.0033670 k( 74) = ( 0.5000000 -0.4599998 -1.0044330), wk = 0.0033670 k( 75) = ( 0.5000000 -0.4480810 -1.0239627), wk = 0.0033670 k( 76) = ( 0.5000000 -0.4361622 -1.0434924), wk = 0.0033670 k( 77) = ( 0.8137728 -0.3444066 -0.8650271), wk = 0.0033670 k( 78) = ( 0.8072358 -0.3341854 -0.8451467), wk = 0.0033670 k( 79) = ( 0.8006989 -0.3239641 -0.8252663), wk = 0.0033670 k( 80) = ( 0.7941620 -0.3137429 -0.8053859), wk = 0.0033670 k( 81) = ( 0.7876250 -0.3035216 -0.7855055), wk = 0.0033670 k( 82) = ( 0.7810881 -0.2933004 -0.7656251), wk = 0.0033670 k( 83) = ( 0.7745512 -0.2830791 -0.7457447), wk = 0.0033670 k( 84) = ( 0.7680143 -0.2728579 -0.7258643), wk = 0.0033670 k( 85) = ( 0.7614773 -0.2626366 -0.7059838), wk = 0.0033670 k( 86) = ( 0.7549404 -0.2524154 -0.6861034), wk = 0.0033670 k( 87) = ( 0.7484034 -0.2421941 -0.6662230), wk = 0.0033670 k( 88) = ( 0.7418665 -0.2319729 -0.6463426), wk = 0.0033670 k( 89) = ( 0.7353296 -0.2217516 -0.6264622), wk = 0.0033670 k( 90) = ( 0.7287927 -0.2115304 -0.6065818), wk = 0.0033670 k( 91) = ( 0.7222557 -0.2013091 -0.5867014), wk = 0.0033670 k( 92) = ( 0.7157188 -0.1910879 -0.5668209), wk = 0.0033670 k( 93) = ( 0.7091819 -0.1808666 -0.5469405), wk = 0.0033670 k( 94) = ( 0.7026449 -0.1706454 -0.5270601), wk = 0.0033670 k( 95) = ( 0.6961080 -0.1604241 -0.5071797), wk = 0.0033670 k( 96) = ( 0.6895710 -0.1502028 -0.4872993), wk = 0.0033670 k( 97) = ( 0.6830341 -0.1399816 -0.4674189), wk = 0.0033670 k( 98) = ( 0.6764972 -0.1297604 -0.4475385), wk = 0.0033670 k( 99) = ( 0.6699603 -0.1195391 -0.4276580), wk = 0.0033670 k( 100) = ( 0.6634233 -0.1093178 -0.4077776), wk = 0.0033670 k( 101) = ( 0.6568864 -0.0990966 -0.3878972), wk = 0.0033670 k( 102) = ( 0.6503494 -0.0888753 -0.3680168), wk = 0.0033670 k( 103) = ( 0.6438125 -0.0786541 -0.3481364), wk = 0.0033670 k( 104) = ( 0.6372756 -0.0684328 -0.3282560), wk = 0.0033670 k( 105) = ( 0.6307387 -0.0582116 -0.3083756), wk = 0.0033670 k( 106) = ( 0.6242017 -0.0479903 -0.2884952), wk = 0.0033670 k( 107) = ( 0.6176648 -0.0377691 -0.2686148), wk = 0.0033670 k( 108) = ( 0.6111279 -0.0275478 -0.2487344), wk = 0.0033670 k( 109) = ( 0.6045909 -0.0173266 -0.2288539), wk = 0.0033670 k( 110) = ( 0.5980540 -0.0071053 -0.2089735), wk = 0.0033670 k( 111) = ( 0.5915171 0.0031159 -0.1890931), wk = 0.0033670 k( 112) = ( 0.5849801 0.0133372 -0.1692127), wk = 0.0033670 k( 113) = ( 0.5784432 0.0235584 -0.1493323), wk = 0.0033670 k( 114) = ( 0.5719063 0.0337797 -0.1294519), wk = 0.0033670 k( 115) = ( 0.5653693 0.0440009 -0.1095715), wk = 0.0033670 k( 116) = ( 0.5588324 0.0542222 -0.0896911), wk = 0.0033670 k( 117) = ( 0.5522955 0.0644434 -0.0698106), wk = 0.0033670 k( 118) = ( 0.5457585 0.0746647 -0.0499302), wk = 0.0033670 k( 119) = ( 0.5392216 0.0848859 -0.0300498), wk = 0.0033670 k( 120) = ( 0.5326847 0.0951072 -0.0101694), wk = 0.0033670 k( 121) = ( 0.5261477 0.1053284 0.0097110), wk = 0.0033670 k( 122) = ( 0.5196108 0.1155497 0.0295914), wk = 0.0033670 k( 123) = ( 0.5130739 0.1257709 0.0494718), wk = 0.0033670 k( 124) = ( 0.5065369 0.1359922 0.0693523), wk = 0.0033670 k( 125) = ( 0.5000000 0.1462134 0.0892327), wk = 0.0033670 k( 126) = ( 0.5000000 0.1462134 0.0892327), wk = 0.0033670 k( 127) = ( 0.4782609 0.1398563 0.0853530), wk = 0.0033670 k( 128) = ( 0.4565217 0.1334992 0.0814733), wk = 0.0033670 k( 129) = ( 0.4347826 0.1271421 0.0775936), wk = 0.0033670 k( 130) = ( 0.4130435 0.1207850 0.0737139), wk = 0.0033670 k( 131) = ( 0.3913044 0.1144279 0.0698343), wk = 0.0033670 k( 132) = ( 0.3695652 0.1080708 0.0659546), wk = 0.0033670 k( 133) = ( 0.3478261 0.1017137 0.0620749), wk = 0.0033670 k( 134) = ( 0.3260870 0.0953566 0.0581952), wk = 0.0033670 k( 135) = ( 0.3043478 0.0889995 0.0543155), wk = 0.0033670 k( 136) = ( 0.2826087 0.0826424 0.0504359), wk = 0.0033670 k( 137) = ( 0.2608696 0.0762853 0.0465562), wk = 0.0033670 k( 138) = ( 0.2391304 0.0699282 0.0426765), wk = 0.0033670 k( 139) = ( 0.2173913 0.0635711 0.0387968), wk = 0.0033670 k( 140) = ( 0.1956522 0.0572140 0.0349171), wk = 0.0033670 k( 141) = ( 0.1739130 0.0508568 0.0310374), wk = 0.0033670 k( 142) = ( 0.1521739 0.0444997 0.0271578), wk = 0.0033670 k( 143) = ( 0.1304348 0.0381426 0.0232781), wk = 0.0033670 k( 144) = ( 0.1086957 0.0317855 0.0193984), wk = 0.0033670 k( 145) = ( 0.0869565 0.0254284 0.0155187), wk = 0.0033670 k( 146) = ( 0.0652174 0.0190713 0.0116390), wk = 0.0033670 k( 147) = ( 0.0434783 0.0127142 0.0077594), wk = 0.0033670 k( 148) = ( 0.0217391 0.0063571 0.0038797), wk = 0.0033670 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 151) = ( 0.0064738 -0.0101226 -0.0196885), wk = 0.0033670 k( 152) = ( 0.0129477 -0.0202452 -0.0393771), wk = 0.0033670 k( 153) = ( 0.0194215 -0.0303678 -0.0590656), wk = 0.0033670 k( 154) = ( 0.0258954 -0.0404904 -0.0787542), wk = 0.0033670 k( 155) = ( 0.0323692 -0.0506130 -0.0984427), wk = 0.0033670 k( 156) = ( 0.0388430 -0.0607356 -0.1181312), wk = 0.0033670 k( 157) = ( 0.0453169 -0.0708582 -0.1378198), wk = 0.0033670 k( 158) = ( 0.0517907 -0.0809808 -0.1575083), wk = 0.0033670 k( 159) = ( 0.0582646 -0.0911034 -0.1771968), wk = 0.0033670 k( 160) = ( 0.0647384 -0.1012260 -0.1968854), wk = 0.0033670 k( 161) = ( 0.0712123 -0.1113486 -0.2165739), wk = 0.0033670 k( 162) = ( 0.0776861 -0.1214712 -0.2362624), wk = 0.0033670 k( 163) = ( 0.0841599 -0.1315938 -0.2559510), wk = 0.0033670 k( 164) = ( 0.0906338 -0.1417164 -0.2756395), wk = 0.0033670 k( 165) = ( 0.0971076 -0.1518390 -0.2953281), wk = 0.0033670 k( 166) = ( 0.1035815 -0.1619616 -0.3150166), wk = 0.0033670 k( 167) = ( 0.1100553 -0.1720842 -0.3347051), wk = 0.0033670 k( 168) = ( 0.1165291 -0.1822068 -0.3543937), wk = 0.0033670 k( 169) = ( 0.1230030 -0.1923294 -0.3740822), wk = 0.0033670 k( 170) = ( 0.1294768 -0.2024520 -0.3937707), wk = 0.0033670 k( 171) = ( 0.1359507 -0.2125746 -0.4134593), wk = 0.0033670 k( 172) = ( 0.1424245 -0.2226972 -0.4331478), wk = 0.0033670 k( 173) = ( 0.1488984 -0.2328198 -0.4528363), wk = 0.0033670 k( 174) = ( 0.1553722 -0.2429424 -0.4725249), wk = 0.0033670 k( 175) = ( 0.1618460 -0.2530650 -0.4922134), wk = 0.0033670 k( 176) = ( 0.1683199 -0.2631876 -0.5119020), wk = 0.0033670 k( 177) = ( 0.1747937 -0.2733102 -0.5315905), wk = 0.0033670 k( 178) = ( 0.1812676 -0.2834328 -0.5512790), wk = 0.0033670 k( 179) = ( 0.1877414 -0.2935554 -0.5709676), wk = 0.0033670 k( 180) = ( 0.1942153 -0.3036780 -0.5906561), wk = 0.0033670 k( 181) = ( 0.2006891 -0.3138006 -0.6103446), wk = 0.0033670 k( 182) = ( 0.2071629 -0.3239232 -0.6300332), wk = 0.0033670 k( 183) = ( 0.2136368 -0.3340458 -0.6497217), wk = 0.0033670 k( 184) = ( 0.2201106 -0.3441684 -0.6694103), wk = 0.0033670 k( 185) = ( 0.2265845 -0.3542910 -0.6890988), wk = 0.0033670 k( 186) = ( 0.2330583 -0.3644136 -0.7087873), wk = 0.0033670 k( 187) = ( 0.2395321 -0.3745362 -0.7284759), wk = 0.0033670 k( 188) = ( 0.2460060 -0.3846588 -0.7481644), wk = 0.0033670 k( 189) = ( 0.2524798 -0.3947814 -0.7678529), wk = 0.0033670 k( 190) = ( 0.2589537 -0.4049040 -0.7875415), wk = 0.0033670 k( 191) = ( 0.2654275 -0.4150266 -0.8072300), wk = 0.0033670 k( 192) = ( 0.2719013 -0.4251492 -0.8269185), wk = 0.0033670 k( 193) = ( 0.2783752 -0.4352718 -0.8466071), wk = 0.0033670 k( 194) = ( 0.2848490 -0.4453944 -0.8662956), wk = 0.0033670 k( 195) = ( 0.2913229 -0.4555170 -0.8859842), wk = 0.0033670 k( 196) = ( 0.2977967 -0.4656396 -0.9056727), wk = 0.0033670 k( 197) = ( 0.3042706 -0.4757622 -0.9253612), wk = 0.0033670 k( 198) = ( 0.3107444 -0.4858848 -0.9450498), wk = 0.0033670 k( 199) = ( 0.3172182 -0.4960075 -0.9647383), wk = 0.0033670 k( 200) = ( 0.3236921 -0.5061301 -0.9844269), wk = 0.0033670 k( 201) = ( 0.3301659 -0.5162527 -1.0041154), wk = 0.0033670 k( 202) = ( 0.3366398 -0.5263753 -1.0238039), wk = 0.0033670 k( 203) = ( 0.3431136 -0.5364978 -1.0434924), wk = 0.0033670 k( 204) = ( 0.6568864 -0.3902844 -0.9542598), wk = 0.0033670 k( 205) = ( 0.6503494 -0.3679303 -0.9542598), wk = 0.0033670 k( 206) = ( 0.6438125 -0.3455763 -0.9542598), wk = 0.0033670 k( 207) = ( 0.6372756 -0.3232222 -0.9542598), wk = 0.0033670 k( 208) = ( 0.6307387 -0.3008681 -0.9542598), wk = 0.0033670 k( 209) = ( 0.6242017 -0.2785140 -0.9542598), wk = 0.0033670 k( 210) = ( 0.6176648 -0.2561600 -0.9542598), wk = 0.0033670 k( 211) = ( 0.6111279 -0.2338059 -0.9542598), wk = 0.0033670 k( 212) = ( 0.6045909 -0.2114518 -0.9542598), wk = 0.0033670 k( 213) = ( 0.5980540 -0.1890977 -0.9542598), wk = 0.0033670 k( 214) = ( 0.5915171 -0.1667436 -0.9542598), wk = 0.0033670 k( 215) = ( 0.5849801 -0.1443896 -0.9542598), wk = 0.0033670 k( 216) = ( 0.5784432 -0.1220355 -0.9542598), wk = 0.0033670 k( 217) = ( 0.5719063 -0.0996814 -0.9542598), wk = 0.0033670 k( 218) = ( 0.5653693 -0.0773273 -0.9542598), wk = 0.0033670 k( 219) = ( 0.5588324 -0.0549733 -0.9542598), wk = 0.0033670 k( 220) = ( 0.5522955 -0.0326192 -0.9542598), wk = 0.0033670 k( 221) = ( 0.5457585 -0.0102651 -0.9542598), wk = 0.0033670 k( 222) = ( 0.5392216 0.0120890 -0.9542598), wk = 0.0033670 k( 223) = ( 0.5326847 0.0344431 -0.9542598), wk = 0.0033670 k( 224) = ( 0.5261477 0.0567971 -0.9542598), wk = 0.0033670 k( 225) = ( 0.5196108 0.0791512 -0.9542598), wk = 0.0033670 k( 226) = ( 0.5130739 0.1015053 -0.9542598), wk = 0.0033670 k( 227) = ( 0.5065369 0.1238594 -0.9542598), wk = 0.0033670 k( 228) = ( 0.5000000 0.1462134 -0.9542598), wk = 0.0033670 k( 229) = ( 0.5000000 0.1462134 -0.9542598), wk = 0.0033670 k( 230) = ( 0.5196108 0.1519482 -0.9431057), wk = 0.0033670 k( 231) = ( 0.5392216 0.1576829 -0.9319516), wk = 0.0033670 k( 232) = ( 0.5588324 0.1634176 -0.9207975), wk = 0.0033670 k( 233) = ( 0.5784432 0.1691523 -0.9096435), wk = 0.0033670 k( 234) = ( 0.5980540 0.1748871 -0.8984894), wk = 0.0033670 k( 235) = ( 0.6176648 0.1806218 -0.8873353), wk = 0.0033670 k( 236) = ( 0.6372756 0.1863565 -0.8761812), wk = 0.0033670 k( 237) = ( 0.6568864 0.1920912 -0.8650271), wk = 0.0033670 k( 238) = ( 0.6568864 0.1920912 -0.8650271), wk = 0.0033670 k( 239) = ( 0.6531510 0.1909989 -0.8423067), wk = 0.0033670 k( 240) = ( 0.6494156 0.1899066 -0.8195862), wk = 0.0033670 k( 241) = ( 0.6456802 0.1888142 -0.7968657), wk = 0.0033670 k( 242) = ( 0.6419448 0.1877219 -0.7741452), wk = 0.0033670 k( 243) = ( 0.6382094 0.1866296 -0.7514248), wk = 0.0033670 k( 244) = ( 0.6344741 0.1855373 -0.7287043), wk = 0.0033670 k( 245) = ( 0.6307387 0.1844449 -0.7059838), wk = 0.0033670 k( 246) = ( 0.6270033 0.1833526 -0.6832634), wk = 0.0033670 k( 247) = ( 0.6232679 0.1822603 -0.6605429), wk = 0.0033670 k( 248) = ( 0.6195325 0.1811679 -0.6378224), wk = 0.0033670 k( 249) = ( 0.6157971 0.1800756 -0.6151019), wk = 0.0033670 k( 250) = ( 0.6120617 0.1789833 -0.5923815), wk = 0.0033670 k( 251) = ( 0.6083263 0.1778910 -0.5696610), wk = 0.0033670 k( 252) = ( 0.6045909 0.1767986 -0.5469405), wk = 0.0033670 k( 253) = ( 0.6008555 0.1757063 -0.5242200), wk = 0.0033670 k( 254) = ( 0.5971201 0.1746140 -0.5014996), wk = 0.0033670 k( 255) = ( 0.5933848 0.1735216 -0.4787791), wk = 0.0033670 k( 256) = ( 0.5896494 0.1724293 -0.4560586), wk = 0.0033670 k( 257) = ( 0.5859140 0.1713370 -0.4333382), wk = 0.0033670 k( 258) = ( 0.5821786 0.1702447 -0.4106177), wk = 0.0033670 k( 259) = ( 0.5784432 0.1691523 -0.3878972), wk = 0.0033670 k( 260) = ( 0.5747078 0.1680600 -0.3651768), wk = 0.0033670 k( 261) = ( 0.5709724 0.1669677 -0.3424563), wk = 0.0033670 k( 262) = ( 0.5672370 0.1658753 -0.3197358), wk = 0.0033670 k( 263) = ( 0.5635016 0.1647830 -0.2970153), wk = 0.0033670 k( 264) = ( 0.5597662 0.1636907 -0.2742949), wk = 0.0033670 k( 265) = ( 0.5560308 0.1625984 -0.2515744), wk = 0.0033670 k( 266) = ( 0.5522955 0.1615060 -0.2288539), wk = 0.0033670 k( 267) = ( 0.5485601 0.1604137 -0.2061334), wk = 0.0033670 k( 268) = ( 0.5448247 0.1593214 -0.1834130), wk = 0.0033670 k( 269) = ( 0.5410893 0.1582290 -0.1606925), wk = 0.0033670 k( 270) = ( 0.5373539 0.1571367 -0.1379720), wk = 0.0033670 k( 271) = ( 0.5336185 0.1560444 -0.1152516), wk = 0.0033670 k( 272) = ( 0.5298831 0.1549521 -0.0925311), wk = 0.0033670 k( 273) = ( 0.5261477 0.1538597 -0.0698106), wk = 0.0033670 k( 274) = ( 0.5224123 0.1527674 -0.0470902), wk = 0.0033670 k( 275) = ( 0.5186770 0.1516751 -0.0243697), wk = 0.0033670 k( 276) = ( 0.5149416 0.1505827 -0.0016492), wk = 0.0033670 k( 277) = ( 0.5112062 0.1494904 0.0210713), wk = 0.0033670 k( 278) = ( 0.5074708 0.1483981 0.0437917), wk = 0.0033670 k( 279) = ( 0.5037354 0.1473058 0.0665122), wk = 0.0033670 k( 280) = ( 0.5000000 0.1462134 0.0892327), wk = 0.0033670 k( 281) = ( 0.5000000 -0.7818079 -0.4771299), wk = 0.0033670 k( 282) = ( 0.5196108 -0.7726695 -0.4715529), wk = 0.0033670 k( 283) = ( 0.5392216 -0.7635312 -0.4659758), wk = 0.0033670 k( 284) = ( 0.5588324 -0.7543929 -0.4603988), wk = 0.0033670 k( 285) = ( 0.5784432 -0.7452545 -0.4548217), wk = 0.0033670 k( 286) = ( 0.5980540 -0.7361162 -0.4492447), wk = 0.0033670 k( 287) = ( 0.6176648 -0.7269779 -0.4436676), wk = 0.0033670 k( 288) = ( 0.6372756 -0.7178395 -0.4380906), wk = 0.0033670 k( 289) = ( 0.6568864 -0.7087012 -0.4325136), wk = 0.0033670 k( 290) = ( 0.6764972 -0.6995628 -0.4269365), wk = 0.0033670 k( 291) = ( 0.6961080 -0.6904245 -0.4213595), wk = 0.0033670 k( 292) = ( 0.7157188 -0.6812861 -0.4157824), wk = 0.0033670 k( 293) = ( 0.7353296 -0.6721478 -0.4102054), wk = 0.0033670 k( 294) = ( 0.7549404 -0.6630095 -0.4046284), wk = 0.0033670 k( 295) = ( 0.7745512 -0.6538711 -0.3990513), wk = 0.0033670 k( 296) = ( 0.7941620 -0.6447328 -0.3934743), wk = 0.0033670 k( 297) = ( 0.8137728 -0.6355945 -0.3878972), wk = 0.0033670 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0111111 -0.0000000 -0.0000000), wk = 0.0033670 k( 3) = ( 0.0222222 -0.0000000 -0.0000000), wk = 0.0033670 k( 4) = ( 0.0333333 0.0000000 -0.0000000), wk = 0.0033670 k( 5) = ( 0.0444444 -0.0000000 -0.0000000), wk = 0.0033670 k( 6) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0033670 k( 7) = ( 0.0666667 -0.0000000 0.0000000), wk = 0.0033670 k( 8) = ( 0.0777778 -0.0000000 -0.0000000), wk = 0.0033670 k( 9) = ( 0.0888889 -0.0000000 -0.0000000), wk = 0.0033670 k( 10) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0033670 k( 11) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0033670 k( 12) = ( 0.1222222 -0.0000000 -0.0000000), wk = 0.0033670 k( 13) = ( 0.1333333 0.0000000 -0.0000000), wk = 0.0033670 k( 14) = ( 0.1444444 -0.0000000 -0.0000000), wk = 0.0033670 k( 15) = ( 0.1555556 -0.0000000 -0.0000000), wk = 0.0033670 k( 16) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0033670 k( 17) = ( 0.1777778 -0.0000000 -0.0000000), wk = 0.0033670 k( 18) = ( 0.1888889 -0.0000000 0.0000000), wk = 0.0033670 k( 19) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0033670 k( 20) = ( 0.2111111 -0.0000000 -0.0000000), wk = 0.0033670 k( 21) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0033670 k( 22) = ( 0.2333333 -0.0000000 -0.0000000), wk = 0.0033670 k( 23) = ( 0.2444444 -0.0000000 -0.0000000), wk = 0.0033670 k( 24) = ( 0.2555556 0.0000000 -0.0000000), wk = 0.0033670 k( 25) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0033670 k( 26) = ( 0.2777778 -0.0000000 0.0000000), wk = 0.0033670 k( 27) = ( 0.2888889 -0.0000000 0.0000000), wk = 0.0033670 k( 28) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0033670 k( 29) = ( 0.3111111 0.0000000 -0.0000000), wk = 0.0033670 k( 30) = ( 0.3222222 -0.0000000 0.0000000), wk = 0.0033670 k( 31) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0033670 k( 32) = ( 0.3444444 0.0000000 -0.0000000), wk = 0.0033670 k( 33) = ( 0.3555556 -0.0000000 -0.0000000), wk = 0.0033670 k( 34) = ( 0.3666667 0.0000000 -0.0000000), wk = 0.0033670 k( 35) = ( 0.3777778 -0.0000000 0.0000000), wk = 0.0033670 k( 36) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0033670 k( 37) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0033670 k( 38) = ( 0.4111111 -0.0000000 -0.0000000), wk = 0.0033670 k( 39) = ( 0.4222222 -0.0000000 -0.0000000), wk = 0.0033670 k( 40) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0033670 k( 41) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0033670 k( 42) = ( 0.4555556 0.0000000 -0.0000000), wk = 0.0033670 k( 43) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0033670 k( 44) = ( 0.4777778 -0.0000000 -0.0000000), wk = 0.0033670 k( 45) = ( 0.4888889 0.0000000 -0.0000000), wk = 0.0033670 k( 46) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033670 k( 47) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033670 k( 48) = ( 0.5000000 0.0064216 -0.0064216), wk = 0.0033670 k( 49) = ( 0.5000000 0.0128433 -0.0128433), wk = 0.0033670 k( 50) = ( 0.5000000 0.0192649 -0.0192649), wk = 0.0033670 k( 51) = ( 0.5000000 0.0256865 -0.0256865), wk = 0.0033670 k( 52) = ( 0.5000000 0.0321081 -0.0321081), wk = 0.0033670 k( 53) = ( 0.5000000 0.0385298 -0.0385298), wk = 0.0033670 k( 54) = ( 0.5000000 0.0449514 -0.0449514), wk = 0.0033670 k( 55) = ( 0.5000000 0.0513730 -0.0513730), wk = 0.0033670 k( 56) = ( 0.5000000 0.0577947 -0.0577947), wk = 0.0033670 k( 57) = ( 0.5000000 0.0642163 -0.0642163), wk = 0.0033670 k( 58) = ( 0.5000000 0.0706379 -0.0706379), wk = 0.0033670 k( 59) = ( 0.5000000 0.0770595 -0.0770595), wk = 0.0033670 k( 60) = ( 0.5000000 0.0834812 -0.0834812), wk = 0.0033670 k( 61) = ( 0.5000000 0.0899028 -0.0899028), wk = 0.0033670 k( 62) = ( 0.5000000 0.0963244 -0.0963244), wk = 0.0033670 k( 63) = ( 0.5000000 0.1027460 -0.1027461), wk = 0.0033670 k( 64) = ( 0.5000000 0.1091677 -0.1091677), wk = 0.0033670 k( 65) = ( 0.5000000 0.1155893 -0.1155893), wk = 0.0033670 k( 66) = ( 0.5000000 0.1220109 -0.1220109), wk = 0.0033670 k( 67) = ( 0.5000000 0.1284326 -0.1284326), wk = 0.0033670 k( 68) = ( 0.5000000 0.1348542 -0.1348542), wk = 0.0033670 k( 69) = ( 0.5000000 0.1412758 -0.1412758), wk = 0.0033670 k( 70) = ( 0.5000000 0.1476974 -0.1476975), wk = 0.0033670 k( 71) = ( 0.5000000 0.1541191 -0.1541191), wk = 0.0033670 k( 72) = ( 0.5000000 0.1605407 -0.1605407), wk = 0.0033670 k( 73) = ( 0.5000000 0.1669623 -0.1669623), wk = 0.0033670 k( 74) = ( 0.5000000 0.1733840 -0.1733840), wk = 0.0033670 k( 75) = ( 0.5000000 0.1798056 -0.1798056), wk = 0.0033670 k( 76) = ( 0.5000000 0.1862272 -0.1862272), wk = 0.0033670 k( 77) = ( 0.8137728 0.5000000 0.1862272), wk = 0.0033670 k( 78) = ( 0.8072358 0.5000000 0.1927642), wk = 0.0033670 k( 79) = ( 0.8006989 0.5000000 0.1993011), wk = 0.0033670 k( 80) = ( 0.7941620 0.5000000 0.2058380), wk = 0.0033670 k( 81) = ( 0.7876250 0.5000000 0.2123750), wk = 0.0033670 k( 82) = ( 0.7810881 0.5000000 0.2189119), wk = 0.0033670 k( 83) = ( 0.7745512 0.5000000 0.2254488), wk = 0.0033670 k( 84) = ( 0.7680143 0.5000000 0.2319858), wk = 0.0033670 k( 85) = ( 0.7614773 0.5000000 0.2385227), wk = 0.0033670 k( 86) = ( 0.7549404 0.5000000 0.2450596), wk = 0.0033670 k( 87) = ( 0.7484034 0.5000000 0.2515966), wk = 0.0033670 k( 88) = ( 0.7418665 0.5000000 0.2581335), wk = 0.0033670 k( 89) = ( 0.7353296 0.5000000 0.2646704), wk = 0.0033670 k( 90) = ( 0.7287927 0.5000000 0.2712074), wk = 0.0033670 k( 91) = ( 0.7222557 0.5000000 0.2777443), wk = 0.0033670 k( 92) = ( 0.7157188 0.5000000 0.2842812), wk = 0.0033670 k( 93) = ( 0.7091819 0.5000000 0.2908181), wk = 0.0033670 k( 94) = ( 0.7026449 0.5000000 0.2973551), wk = 0.0033670 k( 95) = ( 0.6961080 0.5000000 0.3038920), wk = 0.0033670 k( 96) = ( 0.6895710 0.5000000 0.3104289), wk = 0.0033670 k( 97) = ( 0.6830341 0.5000000 0.3169659), wk = 0.0033670 k( 98) = ( 0.6764972 0.5000000 0.3235028), wk = 0.0033670 k( 99) = ( 0.6699603 0.5000000 0.3300398), wk = 0.0033670 k( 100) = ( 0.6634233 0.5000000 0.3365767), wk = 0.0033670 k( 101) = ( 0.6568864 0.5000000 0.3431136), wk = 0.0033670 k( 102) = ( 0.6503494 0.5000000 0.3496506), wk = 0.0033670 k( 103) = ( 0.6438125 0.5000000 0.3561875), wk = 0.0033670 k( 104) = ( 0.6372756 0.5000000 0.3627244), wk = 0.0033670 k( 105) = ( 0.6307387 0.5000000 0.3692613), wk = 0.0033670 k( 106) = ( 0.6242017 0.5000000 0.3757983), wk = 0.0033670 k( 107) = ( 0.6176648 0.5000000 0.3823352), wk = 0.0033670 k( 108) = ( 0.6111279 0.5000000 0.3888721), wk = 0.0033670 k( 109) = ( 0.6045909 0.5000000 0.3954091), wk = 0.0033670 k( 110) = ( 0.5980540 0.5000000 0.4019460), wk = 0.0033670 k( 111) = ( 0.5915171 0.5000000 0.4084829), wk = 0.0033670 k( 112) = ( 0.5849801 0.5000000 0.4150199), wk = 0.0033670 k( 113) = ( 0.5784432 0.5000000 0.4215568), wk = 0.0033670 k( 114) = ( 0.5719063 0.5000000 0.4280937), wk = 0.0033670 k( 115) = ( 0.5653693 0.5000000 0.4346307), wk = 0.0033670 k( 116) = ( 0.5588324 0.5000000 0.4411676), wk = 0.0033670 k( 117) = ( 0.5522955 0.5000000 0.4477045), wk = 0.0033670 k( 118) = ( 0.5457585 0.5000000 0.4542415), wk = 0.0033670 k( 119) = ( 0.5392216 0.5000000 0.4607784), wk = 0.0033670 k( 120) = ( 0.5326847 0.5000000 0.4673153), wk = 0.0033670 k( 121) = ( 0.5261477 0.5000000 0.4738523), wk = 0.0033670 k( 122) = ( 0.5196108 0.5000000 0.4803892), wk = 0.0033670 k( 123) = ( 0.5130739 0.5000000 0.4869261), wk = 0.0033670 k( 124) = ( 0.5065369 0.5000000 0.4934631), wk = 0.0033670 k( 125) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033670 k( 126) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033670 k( 127) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0033670 k( 128) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0033670 k( 129) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0033670 k( 130) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0033670 k( 131) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0033670 k( 132) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0033670 k( 133) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0033670 k( 134) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0033670 k( 135) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0033670 k( 136) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0033670 k( 137) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0033670 k( 138) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0033670 k( 139) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0033670 k( 140) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0033670 k( 141) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0033670 k( 142) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0033670 k( 143) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0033670 k( 144) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0033670 k( 145) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0033670 k( 146) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0033670 k( 147) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0033670 k( 148) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0033670 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 151) = ( 0.0064738 -0.0000000 -0.0064738), wk = 0.0033670 k( 152) = ( 0.0129477 -0.0000000 -0.0129477), wk = 0.0033670 k( 153) = ( 0.0194215 -0.0000000 -0.0194215), wk = 0.0033670 k( 154) = ( 0.0258954 0.0000000 -0.0258954), wk = 0.0033670 k( 155) = ( 0.0323692 -0.0000000 -0.0323692), wk = 0.0033670 k( 156) = ( 0.0388430 0.0000000 -0.0388431), wk = 0.0033670 k( 157) = ( 0.0453169 -0.0000000 -0.0453169), wk = 0.0033670 k( 158) = ( 0.0517907 -0.0000000 -0.0517907), wk = 0.0033670 k( 159) = ( 0.0582646 -0.0000000 -0.0582646), wk = 0.0033670 k( 160) = ( 0.0647384 -0.0000000 -0.0647384), wk = 0.0033670 k( 161) = ( 0.0712123 -0.0000000 -0.0712123), wk = 0.0033670 k( 162) = ( 0.0776861 0.0000000 -0.0776861), wk = 0.0033670 k( 163) = ( 0.0841599 -0.0000000 -0.0841599), wk = 0.0033670 k( 164) = ( 0.0906338 -0.0000000 -0.0906338), wk = 0.0033670 k( 165) = ( 0.0971076 0.0000000 -0.0971076), wk = 0.0033670 k( 166) = ( 0.1035815 0.0000000 -0.1035815), wk = 0.0033670 k( 167) = ( 0.1100553 -0.0000000 -0.1100553), wk = 0.0033670 k( 168) = ( 0.1165291 -0.0000000 -0.1165292), wk = 0.0033670 k( 169) = ( 0.1230030 -0.0000000 -0.1230030), wk = 0.0033670 k( 170) = ( 0.1294768 0.0000000 -0.1294768), wk = 0.0033670 k( 171) = ( 0.1359507 -0.0000000 -0.1359507), wk = 0.0033670 k( 172) = ( 0.1424245 -0.0000000 -0.1424245), wk = 0.0033670 k( 173) = ( 0.1488984 0.0000000 -0.1488984), wk = 0.0033670 k( 174) = ( 0.1553722 0.0000000 -0.1553722), wk = 0.0033670 k( 175) = ( 0.1618460 -0.0000000 -0.1618460), wk = 0.0033670 k( 176) = ( 0.1683199 -0.0000000 -0.1683199), wk = 0.0033670 k( 177) = ( 0.1747937 0.0000000 -0.1747937), wk = 0.0033670 k( 178) = ( 0.1812676 -0.0000000 -0.1812676), wk = 0.0033670 k( 179) = ( 0.1877414 0.0000000 -0.1877414), wk = 0.0033670 k( 180) = ( 0.1942153 0.0000000 -0.1942153), wk = 0.0033670 k( 181) = ( 0.2006891 0.0000000 -0.2006891), wk = 0.0033670 k( 182) = ( 0.2071629 0.0000000 -0.2071629), wk = 0.0033670 k( 183) = ( 0.2136368 -0.0000000 -0.2136368), wk = 0.0033670 k( 184) = ( 0.2201106 -0.0000000 -0.2201106), wk = 0.0033670 k( 185) = ( 0.2265845 -0.0000000 -0.2265845), wk = 0.0033670 k( 186) = ( 0.2330583 -0.0000000 -0.2330583), wk = 0.0033670 k( 187) = ( 0.2395321 -0.0000000 -0.2395321), wk = 0.0033670 k( 188) = ( 0.2460060 -0.0000000 -0.2460060), wk = 0.0033670 k( 189) = ( 0.2524798 -0.0000000 -0.2524798), wk = 0.0033670 k( 190) = ( 0.2589537 -0.0000000 -0.2589537), wk = 0.0033670 k( 191) = ( 0.2654275 0.0000000 -0.2654275), wk = 0.0033670 k( 192) = ( 0.2719013 -0.0000000 -0.2719013), wk = 0.0033670 k( 193) = ( 0.2783752 -0.0000000 -0.2783752), wk = 0.0033670 k( 194) = ( 0.2848490 -0.0000000 -0.2848490), wk = 0.0033670 k( 195) = ( 0.2913229 0.0000000 -0.2913229), wk = 0.0033670 k( 196) = ( 0.2977967 0.0000000 -0.2977967), wk = 0.0033670 k( 197) = ( 0.3042706 -0.0000000 -0.3042706), wk = 0.0033670 k( 198) = ( 0.3107444 0.0000000 -0.3107444), wk = 0.0033670 k( 199) = ( 0.3172182 0.0000000 -0.3172183), wk = 0.0033670 k( 200) = ( 0.3236921 0.0000000 -0.3236921), wk = 0.0033670 k( 201) = ( 0.3301659 -0.0000000 -0.3301659), wk = 0.0033670 k( 202) = ( 0.3366398 0.0000000 -0.3366398), wk = 0.0033670 k( 203) = ( 0.3431136 -0.0000000 -0.3431136), wk = 0.0033670 k( 204) = ( 0.6568864 0.3431136 -0.0000000), wk = 0.0033670 k( 205) = ( 0.6503494 0.3496506 -0.0000000), wk = 0.0033670 k( 206) = ( 0.6438125 0.3561875 -0.0000000), wk = 0.0033670 k( 207) = ( 0.6372756 0.3627244 -0.0000000), wk = 0.0033670 k( 208) = ( 0.6307387 0.3692613 -0.0000000), wk = 0.0033670 k( 209) = ( 0.6242017 0.3757983 -0.0000000), wk = 0.0033670 k( 210) = ( 0.6176648 0.3823352 -0.0000000), wk = 0.0033670 k( 211) = ( 0.6111279 0.3888721 -0.0000000), wk = 0.0033670 k( 212) = ( 0.6045909 0.3954091 -0.0000000), wk = 0.0033670 k( 213) = ( 0.5980540 0.4019460 -0.0000000), wk = 0.0033670 k( 214) = ( 0.5915171 0.4084829 -0.0000000), wk = 0.0033670 k( 215) = ( 0.5849801 0.4150199 -0.0000000), wk = 0.0033670 k( 216) = ( 0.5784432 0.4215568 -0.0000000), wk = 0.0033670 k( 217) = ( 0.5719063 0.4280937 -0.0000000), wk = 0.0033670 k( 218) = ( 0.5653693 0.4346307 -0.0000000), wk = 0.0033670 k( 219) = ( 0.5588324 0.4411676 -0.0000000), wk = 0.0033670 k( 220) = ( 0.5522955 0.4477045 -0.0000000), wk = 0.0033670 k( 221) = ( 0.5457585 0.4542415 -0.0000000), wk = 0.0033670 k( 222) = ( 0.5392216 0.4607784 -0.0000000), wk = 0.0033670 k( 223) = ( 0.5326847 0.4673153 -0.0000000), wk = 0.0033670 k( 224) = ( 0.5261477 0.4738523 -0.0000000), wk = 0.0033670 k( 225) = ( 0.5196108 0.4803892 -0.0000000), wk = 0.0033670 k( 226) = ( 0.5130739 0.4869261 -0.0000000), wk = 0.0033670 k( 227) = ( 0.5065369 0.4934631 -0.0000000), wk = 0.0033670 k( 228) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033670 k( 229) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033670 k( 230) = ( 0.5196108 0.5196108 0.0232784), wk = 0.0033670 k( 231) = ( 0.5392216 0.5392216 0.0465568), wk = 0.0033670 k( 232) = ( 0.5588324 0.5588324 0.0698352), wk = 0.0033670 k( 233) = ( 0.5784432 0.5784432 0.0931136), wk = 0.0033670 k( 234) = ( 0.5980540 0.5980540 0.1163920), wk = 0.0033670 k( 235) = ( 0.6176648 0.6176648 0.1396704), wk = 0.0033670 k( 236) = ( 0.6372756 0.6372756 0.1629488), wk = 0.0033670 k( 237) = ( 0.6568864 0.6568864 0.1862272), wk = 0.0033670 k( 238) = ( 0.6568864 0.6568864 0.1862272), wk = 0.0033670 k( 239) = ( 0.6531510 0.6531510 0.1936980), wk = 0.0033670 k( 240) = ( 0.6494156 0.6494156 0.2011688), wk = 0.0033670 k( 241) = ( 0.6456802 0.6456802 0.2086396), wk = 0.0033670 k( 242) = ( 0.6419448 0.6419448 0.2161104), wk = 0.0033670 k( 243) = ( 0.6382094 0.6382094 0.2235811), wk = 0.0033670 k( 244) = ( 0.6344741 0.6344741 0.2310519), wk = 0.0033670 k( 245) = ( 0.6307387 0.6307387 0.2385227), wk = 0.0033670 k( 246) = ( 0.6270033 0.6270033 0.2459935), wk = 0.0033670 k( 247) = ( 0.6232679 0.6232679 0.2534643), wk = 0.0033670 k( 248) = ( 0.6195325 0.6195325 0.2609350), wk = 0.0033670 k( 249) = ( 0.6157971 0.6157971 0.2684058), wk = 0.0033670 k( 250) = ( 0.6120617 0.6120617 0.2758766), wk = 0.0033670 k( 251) = ( 0.6083263 0.6083263 0.2833474), wk = 0.0033670 k( 252) = ( 0.6045909 0.6045909 0.2908181), wk = 0.0033670 k( 253) = ( 0.6008555 0.6008555 0.2982889), wk = 0.0033670 k( 254) = ( 0.5971201 0.5971201 0.3057597), wk = 0.0033670 k( 255) = ( 0.5933848 0.5933848 0.3132305), wk = 0.0033670 k( 256) = ( 0.5896494 0.5896494 0.3207013), wk = 0.0033670 k( 257) = ( 0.5859140 0.5859140 0.3281720), wk = 0.0033670 k( 258) = ( 0.5821786 0.5821786 0.3356428), wk = 0.0033670 k( 259) = ( 0.5784432 0.5784432 0.3431136), wk = 0.0033670 k( 260) = ( 0.5747078 0.5747078 0.3505844), wk = 0.0033670 k( 261) = ( 0.5709724 0.5709724 0.3580552), wk = 0.0033670 k( 262) = ( 0.5672370 0.5672370 0.3655260), wk = 0.0033670 k( 263) = ( 0.5635016 0.5635016 0.3729967), wk = 0.0033670 k( 264) = ( 0.5597662 0.5597662 0.3804675), wk = 0.0033670 k( 265) = ( 0.5560308 0.5560308 0.3879383), wk = 0.0033670 k( 266) = ( 0.5522955 0.5522955 0.3954091), wk = 0.0033670 k( 267) = ( 0.5485601 0.5485601 0.4028799), wk = 0.0033670 k( 268) = ( 0.5448247 0.5448247 0.4103506), wk = 0.0033670 k( 269) = ( 0.5410893 0.5410893 0.4178214), wk = 0.0033670 k( 270) = ( 0.5373539 0.5373539 0.4252922), wk = 0.0033670 k( 271) = ( 0.5336185 0.5336185 0.4327630), wk = 0.0033670 k( 272) = ( 0.5298831 0.5298831 0.4402338), wk = 0.0033670 k( 273) = ( 0.5261477 0.5261477 0.4477045), wk = 0.0033670 k( 274) = ( 0.5224123 0.5224123 0.4551753), wk = 0.0033670 k( 275) = ( 0.5186770 0.5186770 0.4626461), wk = 0.0033670 k( 276) = ( 0.5149416 0.5149416 0.4701169), wk = 0.0033670 k( 277) = ( 0.5112062 0.5112062 0.4775877), wk = 0.0033670 k( 278) = ( 0.5074708 0.5074708 0.4850584), wk = 0.0033670 k( 279) = ( 0.5037354 0.5037354 0.4925292), wk = 0.0033670 k( 280) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033670 k( 281) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033670 k( 282) = ( 0.5196108 0.0214446 0.0214446), wk = 0.0033670 k( 283) = ( 0.5392216 0.0428892 0.0428892), wk = 0.0033670 k( 284) = ( 0.5588324 0.0643338 0.0643338), wk = 0.0033670 k( 285) = ( 0.5784432 0.0857784 0.0857784), wk = 0.0033670 k( 286) = ( 0.5980540 0.1072230 0.1072230), wk = 0.0033670 k( 287) = ( 0.6176648 0.1286676 0.1286676), wk = 0.0033670 k( 288) = ( 0.6372756 0.1501122 0.1501122), wk = 0.0033670 k( 289) = ( 0.6568864 0.1715568 0.1715568), wk = 0.0033670 k( 290) = ( 0.6764972 0.1930014 0.1930014), wk = 0.0033670 k( 291) = ( 0.6961080 0.2144460 0.2144460), wk = 0.0033670 k( 292) = ( 0.7157188 0.2358906 0.2358906), wk = 0.0033670 k( 293) = ( 0.7353296 0.2573352 0.2573352), wk = 0.0033670 k( 294) = ( 0.7549404 0.2787798 0.2787798), wk = 0.0033670 k( 295) = ( 0.7745512 0.3002244 0.3002244), wk = 0.0033670 k( 296) = ( 0.7941620 0.3216690 0.3216690), wk = 0.0033670 k( 297) = ( 0.8137728 0.3431136 0.3431136), wk = 0.0033670 Dense grid: 67821 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 50949 G-vectors FFT dimensions: ( 75, 75, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 356, 40) NL pseudopotentials 0.21 Mb ( 178, 76) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.01 Mb ( 1884) G-vector shells 0.01 Mb ( 1539) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.87 Mb ( 356, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.09 Mb ( 76, 2, 40) The potential is recalculated from file : ./NaYSe2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 6.0 secs Computing kpt #: 6 total cpu time spent up to now is 6.7 secs Computing kpt #: 7 total cpu time spent up to now is 7.4 secs Computing kpt #: 8 total cpu time spent up to now is 8.1 secs Computing kpt #: 9 total cpu time spent up to now is 8.8 secs Computing kpt #: 10 total cpu time spent up to now is 9.5 secs Computing kpt #: 11 total cpu time spent up to now is 10.3 secs Computing kpt #: 12 total cpu time spent up to now is 11.2 secs Computing kpt #: 13 total cpu time spent up to now is 12.0 secs Computing kpt #: 14 total cpu time spent up to now is 12.8 secs Computing kpt #: 15 total cpu time spent up to now is 13.5 secs Computing kpt #: 16 total cpu time spent up to now is 14.3 secs Computing kpt #: 17 total cpu time spent up to now is 15.1 secs Computing kpt #: 18 total cpu time spent up to now is 15.9 secs Computing kpt #: 19 total cpu time spent up to now is 16.7 secs Computing kpt #: 20 total cpu time spent up to now is 17.5 secs Computing kpt #: 21 total cpu time spent up to now is 18.3 secs Computing kpt #: 22 total cpu time spent up to now is 19.0 secs Computing kpt #: 23 total cpu time spent up to now is 19.8 secs Computing kpt #: 24 total cpu time spent up to now is 20.6 secs Computing kpt #: 25 total cpu time spent up to now is 21.4 secs Computing kpt #: 26 total cpu time spent up to now is 22.2 secs Computing kpt #: 27 total cpu time spent up to now is 23.0 secs Computing kpt #: 28 total cpu time spent up to now is 23.7 secs Computing kpt #: 29 total cpu time spent up to now is 24.5 secs Computing kpt #: 30 total cpu time spent up to now is 25.2 secs Computing kpt #: 31 total cpu time spent up to now is 26.0 secs Computing kpt #: 32 total cpu time spent up to now is 26.7 secs Computing kpt #: 33 total cpu time spent up to now is 27.5 secs Computing kpt #: 34 total cpu time spent up to now is 28.2 secs Computing kpt #: 35 total cpu time spent up to now is 29.0 secs Computing kpt #: 36 total cpu time spent up to now is 29.7 secs Computing kpt #: 37 total cpu time spent up to now is 30.5 secs Computing kpt #: 38 total cpu time spent up to now is 31.3 secs Computing kpt #: 39 total cpu time spent up to now is 32.0 secs Computing kpt #: 40 total cpu time spent up to now is 32.8 secs Computing kpt #: 41 total cpu time spent up to now is 33.6 secs Computing kpt #: 42 total cpu time spent up to now is 34.4 secs Computing kpt #: 43 total cpu time spent up to now is 35.2 secs Computing kpt #: 44 total cpu time spent up to now is 36.0 secs Computing kpt #: 45 total cpu time spent up to now is 36.8 secs Computing kpt #: 46 total cpu time spent up to now is 38.1 secs Computing kpt #: 47 total cpu time spent up to now is 39.1 secs Computing kpt #: 48 total cpu time spent up to now is 39.9 secs Computing kpt #: 49 total cpu time spent up to now is 40.7 secs Computing kpt #: 50 total cpu time spent up to now is 41.5 secs Computing kpt #: 51 total cpu time spent up to now is 42.3 secs Computing kpt #: 52 total cpu time spent up to now is 43.2 secs Computing kpt #: 53 total cpu time spent up to now is 44.0 secs Computing kpt #: 54 total cpu time spent up to now is 44.8 secs Computing kpt #: 55 total cpu time spent up to now is 45.5 secs Computing kpt #: 56 total cpu time spent up to now is 46.3 secs Computing kpt #: 57 total cpu time spent up to now is 47.1 secs Computing kpt #: 58 total cpu time spent up to now is 47.9 secs Computing kpt #: 59 total cpu time spent up to now is 48.7 secs Computing kpt #: 60 total cpu time spent up to now is 49.5 secs Computing kpt #: 61 total cpu time spent up to now is 50.2 secs Computing kpt #: 62 total cpu time spent up to now is 51.0 secs Computing kpt #: 63 total cpu time spent up to now is 51.8 secs Computing kpt #: 64 total cpu time spent up to now is 52.5 secs Computing kpt #: 65 total cpu time spent up to now is 53.3 secs Computing kpt #: 66 total cpu time spent up to now is 54.0 secs Computing kpt #: 67 total cpu time spent up to now is 54.8 secs Computing kpt #: 68 total cpu time spent up to now is 55.6 secs Computing kpt #: 69 total cpu time spent up to now is 56.3 secs Computing kpt #: 70 total cpu time spent up to now is 57.1 secs Computing kpt #: 71 total cpu time spent up to now is 57.9 secs Computing kpt #: 72 total cpu time spent up to now is 58.6 secs Computing kpt #: 73 total cpu time spent up to now is 59.4 secs Computing kpt #: 74 total cpu time spent up to now is 60.2 secs Computing kpt #: 75 total cpu time spent up to now is 61.0 secs Computing kpt #: 76 total cpu time spent up to now is 61.7 secs Computing kpt #: 77 total cpu time spent up to now is 62.5 secs Computing kpt #: 78 total cpu time spent up to now is 63.3 secs Computing kpt #: 79 total cpu time spent up to now is 64.0 secs Computing kpt #: 80 total cpu time spent up to now is 64.8 secs Computing kpt #: 81 total cpu time spent up to now is 65.6 secs Computing kpt #: 82 total cpu time spent up to now is 66.4 secs Computing kpt #: 83 total cpu time spent up to now is 67.4 secs Computing kpt #: 84 total cpu time spent up to now is 68.2 secs Computing kpt #: 85 total cpu time spent up to now is 69.0 secs Computing kpt #: 86 total cpu time spent up to now is 69.8 secs Computing kpt #: 87 total cpu time spent up to now is 70.6 secs Computing kpt #: 88 total cpu time spent up to now is 71.4 secs Computing kpt #: 89 total cpu time spent up to now is 72.2 secs Computing kpt #: 90 total cpu time spent up to now is 73.0 secs Computing kpt #: 91 total cpu time spent up to now is 73.8 secs Computing kpt #: 92 total cpu time spent up to now is 74.6 secs Computing kpt #: 93 total cpu time spent up to now is 75.4 secs Computing kpt #: 94 total cpu time spent up to now is 76.2 secs Computing kpt #: 95 total cpu time spent up to now is 77.0 secs Computing kpt #: 96 total cpu time spent up to now is 77.8 secs Computing kpt #: 97 total cpu time spent up to now is 78.5 secs Computing kpt #: 98 total cpu time spent up to now is 79.3 secs Computing kpt #: 99 total cpu time spent up to now is 80.1 secs Computing kpt #: 100 total cpu time spent up to now is 80.8 secs Computing kpt #: 101 total cpu time spent up to now is 81.6 secs Computing kpt #: 102 total cpu time spent up to now is 82.3 secs Computing kpt #: 103 total cpu time spent up to now is 83.0 secs Computing kpt #: 104 total cpu time spent up to now is 83.7 secs Computing kpt #: 105 total cpu time spent up to now is 84.4 secs Computing kpt #: 106 total cpu time spent up to now is 85.1 secs Computing kpt #: 107 total cpu time spent up to now is 85.9 secs Computing kpt #: 108 total cpu time spent up to now is 86.6 secs Computing kpt #: 109 total cpu time spent up to now is 87.3 secs Computing kpt #: 110 total cpu time spent up to now is 88.0 secs Computing kpt #: 111 total cpu time spent up to now is 88.8 secs Computing kpt #: 112 total cpu time spent up to now is 89.5 secs Computing kpt #: 113 total cpu time spent up to now is 90.2 secs Computing kpt #: 114 total cpu time spent up to now is 91.0 secs Computing kpt #: 115 total cpu time spent up to now is 91.7 secs Computing kpt #: 116 total cpu time spent up to now is 92.4 secs Computing kpt #: 117 total cpu time spent up to now is 93.2 secs Computing kpt #: 118 total cpu time spent up to now is 93.9 secs Computing kpt #: 119 total cpu time spent up to now is 94.7 secs Computing kpt #: 120 total cpu time spent up to now is 95.4 secs Computing kpt #: 121 total cpu time spent up to now is 96.2 secs Computing kpt #: 122 total cpu time spent up to now is 96.9 secs Computing kpt #: 123 total cpu time spent up to now is 97.7 secs Computing kpt #: 124 total cpu time spent up to now is 98.6 secs Computing kpt #: 125 total cpu time spent up to now is 99.4 secs Computing kpt #: 126 total cpu time spent up to now is 100.3 secs Computing kpt #: 127 total cpu time spent up to now is 101.3 secs Computing kpt #: 128 total cpu time spent up to now is 102.0 secs Computing kpt #: 129 total cpu time spent up to now is 102.9 secs Computing kpt #: 130 total cpu time spent up to now is 103.7 secs Computing kpt #: 131 total cpu time spent up to now is 104.4 secs Computing kpt #: 132 total cpu time spent up to now is 105.2 secs Computing kpt #: 133 total cpu time spent up to now is 105.9 secs Computing kpt #: 134 total cpu time spent up to now is 106.7 secs Computing kpt #: 135 total cpu time spent up to now is 107.4 secs Computing kpt #: 136 total cpu time spent up to now is 108.3 secs Computing kpt #: 137 total cpu time spent up to now is 109.0 secs Computing kpt #: 138 total cpu time spent up to now is 109.7 secs Computing kpt #: 139 total cpu time spent up to now is 110.4 secs Computing kpt #: 140 total cpu time spent up to now is 111.1 secs Computing kpt #: 141 total cpu time spent up to now is 111.8 secs Computing kpt #: 142 total cpu time spent up to now is 112.5 secs Computing kpt #: 143 total cpu time spent up to now is 113.2 secs Computing kpt #: 144 total cpu time spent up to now is 113.9 secs Computing kpt #: 145 total cpu time spent up to now is 114.5 secs Computing kpt #: 146 total cpu time spent up to now is 115.2 secs Computing kpt #: 147 total cpu time spent up to now is 115.9 secs Computing kpt #: 148 total cpu time spent up to now is 116.5 secs Computing kpt #: 149 total cpu time spent up to now is 117.2 secs Computing kpt #: 150 total cpu time spent up to now is 117.9 secs Computing kpt #: 151 total cpu time spent up to now is 118.5 secs Computing kpt #: 152 total cpu time spent up to now is 119.2 secs Computing kpt #: 153 total cpu time spent up to now is 119.9 secs Computing kpt #: 154 total cpu time spent up to now is 120.5 secs Computing kpt #: 155 total cpu time spent up to now is 121.2 secs Computing kpt #: 156 total cpu time spent up to now is 121.9 secs Computing kpt #: 157 total cpu time spent up to now is 122.6 secs Computing kpt #: 158 total cpu time spent up to now is 123.3 secs Computing kpt #: 159 total cpu time spent up to now is 124.0 secs Computing kpt #: 160 total cpu time spent up to now is 124.8 secs Computing kpt #: 161 total cpu time spent up to now is 125.5 secs Computing kpt #: 162 total cpu time spent up to now is 126.2 secs Computing kpt #: 163 total cpu time spent up to now is 127.0 secs Computing kpt #: 164 total cpu time spent up to now is 127.7 secs Computing kpt #: 165 total cpu time spent up to now is 128.5 secs Computing kpt #: 166 total cpu time spent up to now is 129.2 secs Computing kpt #: 167 total cpu time spent up to now is 130.0 secs Computing kpt #: 168 total cpu time spent up to now is 130.8 secs Computing kpt #: 169 total cpu time spent up to now is 131.6 secs Computing kpt #: 170 total cpu time spent up to now is 132.3 secs Computing kpt #: 171 total cpu time spent up to now is 133.1 secs Computing kpt #: 172 total cpu time spent up to now is 133.9 secs Computing kpt #: 173 total cpu time spent up to now is 134.7 secs Computing kpt #: 174 total cpu time spent up to now is 135.5 secs Computing kpt #: 175 total cpu time spent up to now is 136.2 secs Computing kpt #: 176 total cpu time spent up to now is 137.0 secs Computing kpt #: 177 total cpu time spent up to now is 137.8 secs Computing kpt #: 178 total cpu time spent up to now is 138.6 secs Computing kpt #: 179 total cpu time spent up to now is 139.3 secs Computing kpt #: 180 total cpu time spent up to now is 140.1 secs Computing kpt #: 181 total cpu time spent up to now is 140.9 secs Computing kpt #: 182 total cpu time spent up to now is 141.7 secs Computing kpt #: 183 total cpu time spent up to now is 142.5 secs Computing kpt #: 184 total cpu time spent up to now is 143.2 secs Computing kpt #: 185 total cpu time spent up to now is 144.0 secs Computing kpt #: 186 total cpu time spent up to now is 144.7 secs Computing kpt #: 187 total cpu time spent up to now is 145.5 secs Computing kpt #: 188 total cpu time spent up to now is 146.2 secs Computing kpt #: 189 total cpu time spent up to now is 147.0 secs Computing kpt #: 190 total cpu time spent up to now is 147.7 secs Computing kpt #: 191 total cpu time spent up to now is 148.5 secs Computing kpt #: 192 total cpu time spent up to now is 149.2 secs Computing kpt #: 193 total cpu time spent up to now is 150.0 secs Computing kpt #: 194 total cpu time spent up to now is 150.7 secs Computing kpt #: 195 total cpu time spent up to now is 151.5 secs Computing kpt #: 196 total cpu time spent up to now is 152.2 secs Computing kpt #: 197 total cpu time spent up to now is 153.0 secs Computing kpt #: 198 total cpu time spent up to now is 153.7 secs Computing kpt #: 199 total cpu time spent up to now is 154.5 secs Computing kpt #: 200 total cpu time spent up to now is 155.3 secs Computing kpt #: 201 total cpu time spent up to now is 156.1 secs Computing kpt #: 202 total cpu time spent up to now is 156.9 secs Computing kpt #: 203 total cpu time spent up to now is 157.6 secs Computing kpt #: 204 total cpu time spent up to now is 158.4 secs Computing kpt #: 205 total cpu time spent up to now is 159.2 secs Computing kpt #: 206 total cpu time spent up to now is 160.0 secs Computing kpt #: 207 total cpu time spent up to now is 160.8 secs Computing kpt #: 208 total cpu time spent up to now is 161.6 secs Computing kpt #: 209 total cpu time spent up to now is 162.4 secs Computing kpt #: 210 total cpu time spent up to now is 163.2 secs Computing kpt #: 211 total cpu time spent up to now is 164.0 secs Computing kpt #: 212 total cpu time spent up to now is 164.8 secs Computing kpt #: 213 total cpu time spent up to now is 165.6 secs Computing kpt #: 214 total cpu time spent up to now is 166.4 secs Computing kpt #: 215 total cpu time spent up to now is 167.2 secs Computing kpt #: 216 total cpu time spent up to now is 168.0 secs Computing kpt #: 217 total cpu time spent up to now is 168.8 secs Computing kpt #: 218 total cpu time spent up to now is 169.6 secs Computing kpt #: 219 total cpu time spent up to now is 170.4 secs Computing kpt #: 220 total cpu time spent up to now is 171.2 secs Computing kpt #: 221 total cpu time spent up to now is 172.1 secs Computing kpt #: 222 total cpu time spent up to now is 173.0 secs Computing kpt #: 223 total cpu time spent up to now is 174.0 secs Computing kpt #: 224 total cpu time spent up to now is 174.8 secs Computing kpt #: 225 total cpu time spent up to now is 175.6 secs Computing kpt #: 226 total cpu time spent up to now is 176.3 secs Computing kpt #: 227 total cpu time spent up to now is 177.1 secs Computing kpt #: 228 total cpu time spent up to now is 178.2 secs Computing kpt #: 229 total cpu time spent up to now is 178.9 secs Computing kpt #: 230 total cpu time spent up to now is 179.7 secs Computing kpt #: 231 total cpu time spent up to now is 180.5 secs Computing kpt #: 232 total cpu time spent up to now is 181.3 secs Computing kpt #: 233 total cpu time spent up to now is 182.3 secs Computing kpt #: 234 total cpu time spent up to now is 183.2 secs Computing kpt #: 235 total cpu time spent up to now is 184.1 secs Computing kpt #: 236 total cpu time spent up to now is 184.9 secs Computing kpt #: 237 total cpu time spent up to now is 185.7 secs Computing kpt #: 238 total cpu time spent up to now is 186.4 secs Computing kpt #: 239 total cpu time spent up to now is 187.2 secs Computing kpt #: 240 total cpu time spent up to now is 188.0 secs Computing kpt #: 241 total cpu time spent up to now is 188.8 secs Computing kpt #: 242 total cpu time spent up to now is 189.6 secs Computing kpt #: 243 total cpu time spent up to now is 190.4 secs Computing kpt #: 244 total cpu time spent up to now is 191.1 secs Computing kpt #: 245 total cpu time spent up to now is 191.9 secs Computing kpt #: 246 total cpu time spent up to now is 192.6 secs Computing kpt #: 247 total cpu time spent up to now is 193.4 secs Computing kpt #: 248 total cpu time spent up to now is 194.2 secs Computing kpt #: 249 total cpu time spent up to now is 194.9 secs Computing kpt #: 250 total cpu time spent up to now is 195.7 secs Computing kpt #: 251 total cpu time spent up to now is 196.4 secs Computing kpt #: 252 total cpu time spent up to now is 197.2 secs Computing kpt #: 253 total cpu time spent up to now is 197.9 secs Computing kpt #: 254 total cpu time spent up to now is 198.6 secs Computing kpt #: 255 total cpu time spent up to now is 199.4 secs Computing kpt #: 256 total cpu time spent up to now is 200.1 secs Computing kpt #: 257 total cpu time spent up to now is 200.8 secs Computing kpt #: 258 total cpu time spent up to now is 201.6 secs Computing kpt #: 259 total cpu time spent up to now is 202.3 secs Computing kpt #: 260 total cpu time spent up to now is 203.1 secs Computing kpt #: 261 total cpu time spent up to now is 203.8 secs Computing kpt #: 262 total cpu time spent up to now is 204.5 secs Computing kpt #: 263 total cpu time spent up to now is 205.3 secs Computing kpt #: 264 total cpu time spent up to now is 206.0 secs Computing kpt #: 265 total cpu time spent up to now is 206.7 secs Computing kpt #: 266 total cpu time spent up to now is 207.4 secs Computing kpt #: 267 total cpu time spent up to now is 208.2 secs Computing kpt #: 268 total cpu time spent up to now is 208.9 secs Computing kpt #: 269 total cpu time spent up to now is 209.6 secs Computing kpt #: 270 total cpu time spent up to now is 210.4 secs Computing kpt #: 271 total cpu time spent up to now is 211.1 secs Computing kpt #: 272 total cpu time spent up to now is 211.9 secs Computing kpt #: 273 total cpu time spent up to now is 212.6 secs Computing kpt #: 274 total cpu time spent up to now is 213.3 secs Computing kpt #: 275 total cpu time spent up to now is 214.1 secs Computing kpt #: 276 total cpu time spent up to now is 214.8 secs Computing kpt #: 277 total cpu time spent up to now is 215.6 secs Computing kpt #: 278 total cpu time spent up to now is 216.4 secs Computing kpt #: 279 total cpu time spent up to now is 217.3 secs Computing kpt #: 280 total cpu time spent up to now is 218.2 secs Computing kpt #: 281 total cpu time spent up to now is 219.2 secs Computing kpt #: 282 total cpu time spent up to now is 220.0 secs Computing kpt #: 283 total cpu time spent up to now is 221.0 secs Computing kpt #: 284 total cpu time spent up to now is 221.9 secs Computing kpt #: 285 total cpu time spent up to now is 222.9 secs Computing kpt #: 286 total cpu time spent up to now is 223.7 secs Computing kpt #: 287 total cpu time spent up to now is 224.6 secs Computing kpt #: 288 total cpu time spent up to now is 225.4 secs Computing kpt #: 289 total cpu time spent up to now is 226.2 secs Computing kpt #: 290 total cpu time spent up to now is 227.0 secs Computing kpt #: 291 total cpu time spent up to now is 227.8 secs Computing kpt #: 292 total cpu time spent up to now is 228.6 secs Computing kpt #: 293 total cpu time spent up to now is 229.4 secs Computing kpt #: 294 total cpu time spent up to now is 230.3 secs Computing kpt #: 295 total cpu time spent up to now is 231.1 secs Computing kpt #: 296 total cpu time spent up to now is 231.8 secs Computing kpt #: 297 total cpu time spent up to now is 232.6 secs ethr = 3.13E-08, avg # of iterations = 15.8 total cpu time spent up to now is 232.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6347 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5578 -17.5578 -17.5509 -17.5509 -16.8374 -16.8374 -15.4601 -15.4601 -15.3632 -15.3632 -6.5480 -6.5480 -5.4220 -5.4220 2.1774 2.1774 3.4085 3.4085 3.5715 3.5715 5.2601 5.2601 5.6683 5.6683 5.8544 5.8544 8.6768 8.6768 8.6866 8.6866 8.7944 8.7944 9.5161 9.5161 k = 0.0111-0.0174-0.0106 ( 6346 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5578 -17.5578 -17.5509 -17.5509 -16.8375 -16.8375 -15.4601 -15.4601 -15.3634 -15.3634 -6.5470 -6.5470 -5.4224 -5.4224 2.1787 2.1787 3.4079 3.4079 3.5707 3.5707 5.2604 5.2604 5.6653 5.6653 5.8489 5.8489 8.6790 8.6790 8.6888 8.6888 8.8001 8.8001 9.5176 9.5176 k = 0.0222-0.0347-0.0212 ( 6346 PWs) bands (ev): -45.6980 -45.6980 -35.7959 -35.7959 -17.7332 -17.7332 -17.5579 -17.5579 -17.5509 -17.5509 -16.8377 -16.8377 -15.4602 -15.4602 -15.3640 -15.3640 -6.5440 -6.5440 -5.4235 -5.4235 2.1828 2.1828 3.4060 3.4060 3.5686 3.5686 5.2612 5.2612 5.6564 5.6564 5.8331 5.8331 8.6838 8.6838 8.6966 8.6966 8.8175 8.8175 9.5223 9.5223 k = 0.0333-0.0521-0.0318 ( 6346 PWs) bands (ev): -45.6980 -45.6980 -35.7959 -35.7959 -17.7333 -17.7333 -17.5579 -17.5579 -17.5509 -17.5509 -16.8380 -16.8380 -15.4603 -15.4603 -15.3649 -15.3649 -6.5389 -6.5389 -5.4252 -5.4252 2.1897 2.1897 3.4025 3.4025 3.5654 3.5654 5.2611 5.2611 5.6415 5.6415 5.8089 5.8089 8.6881 8.6881 8.7118 8.7118 8.8464 8.8464 9.5304 9.5304 k = 0.0444-0.0695-0.0424 ( 6343 PWs) bands (ev): -45.6980 -45.6980 -35.7958 -35.7958 -17.7333 -17.7333 -17.5579 -17.5579 -17.5509 -17.5509 -16.8385 -16.8385 -15.4604 -15.4604 -15.3661 -15.3661 -6.5319 -6.5319 -5.4276 -5.4276 2.1992 2.1992 3.3969 3.3969 3.5621 3.5621 5.2580 5.2580 5.6211 5.6211 5.7790 5.7790 8.6913 8.6913 8.7337 8.7337 8.8859 8.8859 9.5425 9.5425 k = 0.0556-0.0869-0.0530 ( 6346 PWs) bands (ev): -45.6980 -45.6980 -35.7957 -35.7957 -17.7333 -17.7333 -17.5580 -17.5580 -17.5510 -17.5510 -16.8390 -16.8390 -15.4606 -15.4606 -15.3677 -15.3677 -6.5229 -6.5229 -5.4307 -5.4307 2.2113 2.2113 3.3888 3.3888 3.5595 3.5595 5.2484 5.2484 5.5964 5.5964 5.7471 5.7471 8.6935 8.6935 8.7617 8.7617 8.9338 8.9338 9.5594 9.5594 k = 0.0667-0.1042-0.0636 ( 6340 PWs) bands (ev): -45.6980 -45.6980 -35.7955 -35.7955 -17.7334 -17.7334 -17.5581 -17.5581 -17.5509 -17.5509 -16.8397 -16.8397 -15.4609 -15.4609 -15.3697 -15.3697 -6.5120 -6.5120 -5.4345 -5.4345 2.2260 2.2260 3.3778 3.3778 3.5583 3.5583 5.2278 5.2278 5.5698 5.5698 5.7165 5.7165 8.6946 8.6946 8.7951 8.7951 8.9873 8.9873 9.5821 9.5821 k = 0.0778-0.1216-0.0742 ( 6331 PWs) bands (ev): -45.6980 -45.6980 -35.7954 -35.7954 -17.7334 -17.7334 -17.5581 -17.5581 -17.5509 -17.5509 -16.8405 -16.8405 -15.4612 -15.4612 -15.3719 -15.3719 -6.4993 -6.4993 -5.4389 -5.4389 2.2433 2.2433 3.3637 3.3637 3.5591 3.5591 5.1918 5.1918 5.5445 5.5445 5.6898 5.6898 8.6947 8.6947 8.8335 8.8335 9.0432 9.0432 9.6118 9.6118 k = 0.0889-0.1390-0.0848 ( 6330 PWs) bands (ev): -45.6979 -45.6979 -35.7952 -35.7952 -17.7335 -17.7335 -17.5583 -17.5583 -17.5509 -17.5509 -16.8415 -16.8415 -15.4616 -15.4616 -15.3744 -15.3744 -6.4847 -6.4847 -5.4438 -5.4438 2.2630 2.2630 3.3468 3.3468 3.5622 3.5622 5.1386 5.1386 5.5212 5.5212 5.6692 5.6692 8.6937 8.6937 8.8764 8.8764 9.0983 9.0983 9.6495 9.6495 k = 0.1000-0.1564-0.0954 ( 6335 PWs) bands (ev): -45.6979 -45.6979 -35.7950 -35.7950 -17.7335 -17.7335 -17.5584 -17.5584 -17.5510 -17.5510 -16.8425 -16.8425 -15.4620 -15.4620 -15.3771 -15.3771 -6.4683 -6.4683 -5.4493 -5.4493 2.2851 2.2851 3.3275 3.3275 3.5675 3.5675 5.0695 5.0695 5.4978 5.4978 5.6566 5.6566 8.6917 8.6917 8.9231 8.9231 9.1499 9.1499 9.6961 9.6961 k = 0.1111-0.1737-0.1060 ( 6335 PWs) bands (ev): -45.6979 -45.6979 -35.7948 -35.7948 -17.7336 -17.7336 -17.5585 -17.5585 -17.5510 -17.5510 -16.8437 -16.8437 -15.4626 -15.4626 -15.3801 -15.3801 -6.4503 -6.4503 -5.4554 -5.4554 2.3094 2.3094 3.3065 3.3065 3.5749 3.5749 4.9879 4.9879 5.4718 5.4718 5.6520 5.6520 8.6885 8.6885 8.9732 8.9732 9.1959 9.1959 9.7514 9.7514 k = 0.1222-0.1911-0.1166 ( 6335 PWs) bands (ev): -45.6979 -45.6979 -35.7945 -35.7945 -17.7337 -17.7337 -17.5587 -17.5587 -17.5510 -17.5510 -16.8450 -16.8450 -15.4632 -15.4632 -15.3832 -15.3832 -6.4307 -6.4307 -5.4619 -5.4619 2.3357 2.3357 3.2843 3.2843 3.5840 3.5840 4.8972 4.8972 5.4420 5.4420 5.6538 5.6538 8.6842 8.6842 9.0260 9.0260 9.2354 9.2354 9.8142 9.8142 k = 0.1333-0.2085-0.1272 ( 6337 PWs) bands (ev): -45.6979 -45.6979 -35.7943 -35.7943 -17.7338 -17.7338 -17.5588 -17.5588 -17.5510 -17.5510 -16.8463 -16.8463 -15.4640 -15.4640 -15.3865 -15.3865 -6.4096 -6.4096 -5.4688 -5.4688 2.3640 2.3640 3.2616 3.2616 3.5948 3.5948 4.8001 4.8001 5.4090 5.4090 5.6594 5.6594 8.6787 8.6787 9.0810 9.0810 9.2685 9.2685 9.8822 9.8822 k = 0.1444-0.2259-0.1378 ( 6341 PWs) bands (ev): -45.6979 -45.6979 -35.7940 -35.7940 -17.7339 -17.7339 -17.5590 -17.5590 -17.5510 -17.5510 -16.8478 -16.8478 -15.4649 -15.4649 -15.3899 -15.3899 -6.3871 -6.3871 -5.4761 -5.4761 2.3939 2.3939 3.2390 3.2390 3.6069 3.6069 4.6989 4.6989 5.3735 5.3735 5.6662 5.6662 8.6721 8.6721 9.1374 9.1374 9.2960 9.2960 9.9520 9.9520 k = 0.1556-0.2432-0.1484 ( 6349 PWs) bands (ev): -45.6979 -45.6979 -35.7937 -35.7937 -17.7340 -17.7340 -17.5592 -17.5592 -17.5510 -17.5510 -16.8494 -16.8494 -15.4661 -15.4661 -15.3933 -15.3933 -6.3632 -6.3632 -5.4838 -5.4838 2.4252 2.4252 3.2170 3.2170 3.6202 3.6202 4.5953 4.5953 5.3363 5.3363 5.6723 5.6723 8.6645 8.6645 9.1946 9.1946 9.3193 9.3193 10.0196 10.0196 k = 0.1667-0.2606-0.1590 ( 6353 PWs) bands (ev): -45.6979 -45.6979 -35.7934 -35.7934 -17.7341 -17.7341 -17.5595 -17.5595 -17.5510 -17.5510 -16.8510 -16.8510 -15.4673 -15.4673 -15.3967 -15.3967 -6.3382 -6.3382 -5.4917 -5.4917 2.4576 2.4576 3.1960 3.1960 3.6345 3.6345 4.4904 4.4904 5.2982 5.2982 5.6762 5.6762 8.6558 8.6558 9.2512 9.2512 9.3404 9.3404 10.0807 10.0807 k = 0.1778-0.2780-0.1696 ( 6355 PWs) bands (ev): -45.6979 -45.6979 -35.7931 -35.7931 -17.7342 -17.7342 -17.5597 -17.5597 -17.5510 -17.5510 -16.8527 -16.8527 -15.4689 -15.4689 -15.4000 -15.4000 -6.3121 -6.3121 -5.4998 -5.4998 2.4907 2.4907 3.1767 3.1767 3.6496 3.6496 4.3854 4.3854 5.2595 5.2595 5.6767 5.6767 8.6462 8.6462 9.3043 9.3043 9.3632 9.3632 10.1326 10.1326 k = 0.1889-0.2953-0.1802 ( 6357 PWs) bands (ev): -45.6979 -45.6979 -35.7928 -35.7928 -17.7344 -17.7344 -17.5599 -17.5599 -17.5510 -17.5510 -16.8545 -16.8545 -15.4706 -15.4706 -15.4032 -15.4032 -6.2852 -6.2852 -5.5080 -5.5080 2.5238 2.5238 3.1594 3.1594 3.6653 3.6653 4.2813 4.2813 5.2205 5.2205 5.6731 5.6731 8.6358 8.6358 9.3459 9.3459 9.3968 9.3968 10.1748 10.1748 k = 0.2000-0.3127-0.1909 ( 6363 PWs) bands (ev): -45.6979 -45.6979 -35.7925 -35.7925 -17.7345 -17.7345 -17.5601 -17.5601 -17.5510 -17.5510 -16.8564 -16.8564 -15.4726 -15.4726 -15.4063 -15.4063 -6.2574 -6.2574 -5.5162 -5.5162 2.5565 2.5565 3.1448 3.1448 3.6815 3.6815 4.1788 4.1788 5.1818 5.1818 5.6647 5.6647 8.6246 8.6246 9.3730 9.3730 9.4449 9.4449 10.2094 10.2094 k = 0.2111-0.3301-0.2015 ( 6363 PWs) bands (ev): -45.6979 -45.6979 -35.7921 -35.7921 -17.7346 -17.7346 -17.5603 -17.5603 -17.5510 -17.5510 -16.8583 -16.8583 -15.4749 -15.4749 -15.4092 -15.4092 -6.2290 -6.2290 -5.5245 -5.5245 2.5877 2.5877 3.1334 3.1334 3.6980 3.6980 4.0789 4.0789 5.1434 5.1434 5.6510 5.6510 8.6126 8.6126 9.3960 9.3960 9.4983 9.4983 10.2386 10.2386 k = 0.2222-0.3475-0.2121 ( 6364 PWs) bands (ev): -45.6979 -45.6979 -35.7918 -35.7918 -17.7347 -17.7347 -17.5606 -17.5606 -17.5510 -17.5510 -16.8603 -16.8603 -15.4775 -15.4775 -15.4118 -15.4118 -6.2002 -6.2002 -5.5325 -5.5325 2.6165 2.6165 3.1258 3.1258 3.7145 3.7145 3.9826 3.9826 5.1056 5.1056 5.6320 5.6320 8.6001 8.6001 9.4205 9.4205 9.5521 9.5521 10.2637 10.2637 k = 0.2333-0.3648-0.2227 ( 6363 PWs) bands (ev): -45.6979 -45.6979 -35.7914 -35.7914 -17.7349 -17.7349 -17.5608 -17.5608 -17.5510 -17.5510 -16.8623 -16.8623 -15.4804 -15.4804 -15.4142 -15.4142 -6.1712 -6.1712 -5.5404 -5.5404 2.6416 2.6416 3.1229 3.1229 3.7304 3.7304 3.8913 3.8913 5.0687 5.0687 5.6076 5.6076 8.5872 8.5872 9.4486 9.4486 9.6047 9.6047 10.2850 10.2850 k = 0.2444-0.3822-0.2333 ( 6359 PWs) bands (ev): -45.6979 -45.6979 -35.7910 -35.7910 -17.7350 -17.7350 -17.5610 -17.5610 -17.5510 -17.5510 -16.8643 -16.8643 -15.4835 -15.4835 -15.4163 -15.4163 -6.1420 -6.1420 -5.5479 -5.5479 2.6618 2.6618 3.1251 3.1251 3.7419 3.7419 3.8095 3.8095 5.0327 5.0327 5.5778 5.5778 8.5739 8.5739 9.4815 9.4815 9.6555 9.6555 10.3024 10.3024 k = 0.2556-0.3996-0.2439 ( 6350 PWs) bands (ev): -45.6978 -45.6978 -35.7907 -35.7907 -17.7351 -17.7351 -17.5612 -17.5612 -17.5509 -17.5509 -16.8664 -16.8664 -15.4869 -15.4869 -15.4181 -15.4181 -6.1131 -6.1131 -5.5549 -5.5549 2.6757 2.6757 3.1328 3.1328 3.7102 3.7102 3.7774 3.7774 4.9979 4.9979 5.5430 5.5430 8.5605 8.5605 9.5197 9.5197 9.7040 9.7040 10.3154 10.3154 k = 0.2667-0.4170-0.2545 ( 6349 PWs) bands (ev): -45.6978 -45.6978 -35.7903 -35.7903 -17.7352 -17.7352 -17.5614 -17.5614 -17.5509 -17.5509 -16.8685 -16.8685 -15.4905 -15.4905 -15.4197 -15.4197 -6.0845 -6.0845 -5.5614 -5.5614 2.6824 2.6824 3.1455 3.1455 3.6425 3.6425 3.7888 3.7888 4.9643 4.9643 5.5033 5.5033 8.5471 8.5471 9.5635 9.5635 9.7501 9.7501 10.3235 10.3235 k = 0.2778-0.4343-0.2651 ( 6355 PWs) bands (ev): -45.6978 -45.6978 -35.7900 -35.7900 -17.7353 -17.7353 -17.5617 -17.5617 -17.5509 -17.5509 -16.8706 -16.8706 -15.4942 -15.4942 -15.4210 -15.4210 -6.0566 -6.0566 -5.5671 -5.5671 2.6813 2.6813 3.1620 3.1620 3.5804 3.5804 3.8040 3.8040 4.9321 4.9321 5.4594 5.4594 8.5338 8.5338 9.6131 9.6131 9.7937 9.7937 10.3263 10.3263 k = 0.2889-0.4517-0.2757 ( 6362 PWs) bands (ev): -45.6978 -45.6978 -35.7896 -35.7896 -17.7355 -17.7355 -17.5619 -17.5619 -17.5509 -17.5509 -16.8726 -16.8726 -15.4981 -15.4981 -15.4222 -15.4222 -6.0296 -6.0296 -5.5719 -5.5719 2.6723 2.6723 3.1801 3.1801 3.5298 3.5298 3.8195 3.8195 4.9013 4.9013 5.4118 5.4118 8.5208 8.5208 9.6683 9.6683 9.8347 9.8347 10.3235 10.3235 k = 0.3000-0.4691-0.2863 ( 6365 PWs) bands (ev): -45.6978 -45.6978 -35.7893 -35.7893 -17.7356 -17.7356 -17.5622 -17.5622 -17.5509 -17.5509 -16.8747 -16.8747 -15.5020 -15.5020 -15.4231 -15.4231 -6.0038 -6.0038 -5.5756 -5.5756 2.6556 2.6556 3.1966 3.1966 3.4939 3.4939 3.8347 3.8347 4.8719 4.8719 5.3610 5.3610 8.5082 8.5082 9.7288 9.7288 9.8733 9.8733 10.3150 10.3150 k = 0.3111-0.4865-0.2969 ( 6370 PWs) bands (ev): -45.6978 -45.6978 -35.7889 -35.7889 -17.7357 -17.7357 -17.5624 -17.5624 -17.5509 -17.5509 -16.8767 -16.8767 -15.5059 -15.5059 -15.4238 -15.4238 -5.9796 -5.9796 -5.5781 -5.5781 2.6318 2.6318 3.2082 3.2082 3.4757 3.4757 3.8494 3.8494 4.8440 4.8440 5.3076 5.3076 8.4961 8.4961 9.7941 9.7941 9.9098 9.9098 10.3009 10.3009 k = 0.3222-0.5038-0.3075 ( 6369 PWs) bands (ev): -45.6978 -45.6978 -35.7886 -35.7886 -17.7359 -17.7359 -17.5626 -17.5626 -17.5509 -17.5509 -16.8786 -16.8786 -15.5098 -15.5098 -15.4245 -15.4245 -5.9570 -5.9570 -5.5792 -5.5792 2.6017 2.6017 3.2132 3.2132 3.4758 3.4758 3.8635 3.8635 4.8174 4.8174 5.2525 5.2525 8.4846 8.4846 9.8630 9.8630 9.9451 9.9451 10.2817 10.2817 k = 0.3333-0.5212-0.3181 ( 6367 PWs) bands (ev): -45.6978 -45.6978 -35.7883 -35.7883 -17.7360 -17.7360 -17.5628 -17.5628 -17.5509 -17.5509 -16.8805 -16.8805 -15.5137 -15.5137 -15.4250 -15.4250 -5.9366 -5.9366 -5.5787 -5.5787 2.5664 2.5664 3.2131 3.2131 3.4913 3.4913 3.8768 3.8768 4.7922 4.7922 5.1963 5.1963 8.4737 8.4737 9.9305 9.9305 9.9839 9.9839 10.2580 10.2580 k = 0.3444-0.5386-0.3287 ( 6365 PWs) bands (ev): -45.6978 -45.6978 -35.7880 -35.7880 -17.7361 -17.7361 -17.5630 -17.5630 -17.5509 -17.5509 -16.8824 -16.8824 -15.5174 -15.5174 -15.4253 -15.4253 -5.9184 -5.9184 -5.5765 -5.5765 2.5274 2.5274 3.2114 3.2114 3.5174 3.5174 3.8894 3.8894 4.7681 4.7681 5.1399 5.1399 8.4635 8.4635 9.9809 9.9809 10.0413 10.0413 10.2309 10.2309 k = 0.3556-0.5560-0.3393 ( 6362 PWs) bands (ev): -45.6978 -45.6978 -35.7877 -35.7877 -17.7362 -17.7362 -17.5632 -17.5632 -17.5509 -17.5509 -16.8842 -16.8842 -15.5211 -15.5211 -15.4256 -15.4256 -5.9026 -5.9026 -5.5727 -5.5727 2.4860 2.4860 3.2105 3.2105 3.5496 3.5496 3.9013 3.9013 4.7448 4.7448 5.0840 5.0840 8.4539 8.4539 10.0125 10.0125 10.1162 10.1162 10.2037 10.2037 k = 0.3667-0.5733-0.3499 ( 6357 PWs) bands (ev): -45.6978 -45.6978 -35.7874 -35.7874 -17.7363 -17.7363 -17.5633 -17.5633 -17.5508 -17.5508 -16.8858 -16.8858 -15.5245 -15.5245 -15.4259 -15.4259 -5.8892 -5.8892 -5.5672 -5.5672 2.4435 2.4435 3.2119 3.2119 3.5849 3.5849 3.9124 3.9124 4.7220 4.7220 5.0298 5.0298 8.4451 8.4451 10.0365 10.0365 10.1546 10.1546 10.2199 10.2199 k = 0.3778-0.5907-0.3605 ( 6358 PWs) bands (ev): -45.6978 -45.6978 -35.7872 -35.7872 -17.7364 -17.7364 -17.5635 -17.5635 -17.5508 -17.5508 -16.8874 -16.8874 -15.5278 -15.5278 -15.4260 -15.4260 -5.8782 -5.8782 -5.5604 -5.5604 2.4011 2.4011 3.2159 3.2159 3.6213 3.6213 3.9229 3.9229 4.6990 4.6990 4.9784 4.9784 8.4371 8.4371 10.0539 10.0539 10.1304 10.1304 10.3054 10.3054 k = 0.3889-0.6081-0.3711 ( 6358 PWs) bands (ev): -45.6977 -45.6977 -35.7869 -35.7869 -17.7364 -17.7364 -17.5636 -17.5636 -17.5508 -17.5508 -16.8889 -16.8889 -15.5309 -15.5309 -15.4262 -15.4262 -5.8694 -5.8694 -5.5525 -5.5525 2.3599 2.3599 3.2224 3.2224 3.6572 3.6572 3.9329 3.9329 4.6753 4.6753 4.9309 4.9309 8.4298 8.4298 10.0563 10.0563 10.1126 10.1126 10.4000 10.4000 k = 0.4000-0.6254-0.3817 ( 6361 PWs) bands (ev): -45.6977 -45.6977 -35.7867 -35.7867 -17.7365 -17.7365 -17.5638 -17.5638 -17.5508 -17.5508 -16.8903 -16.8903 -15.5337 -15.5337 -15.4262 -15.4262 -5.8625 -5.8625 -5.5438 -5.5438 2.3206 2.3206 3.2310 3.2310 3.6915 3.6915 3.9426 3.9426 4.6501 4.6501 4.8886 4.8886 8.4232 8.4232 10.0350 10.0350 10.1160 10.1160 10.4987 10.4987 k = 0.4111-0.6428-0.3923 ( 6361 PWs) bands (ev): -45.6977 -45.6977 -35.7865 -35.7865 -17.7366 -17.7366 -17.5639 -17.5639 -17.5508 -17.5508 -16.8915 -16.8915 -15.5363 -15.5363 -15.4263 -15.4263 -5.8573 -5.8573 -5.5347 -5.5347 2.2841 2.2841 3.2411 3.2411 3.7234 3.7234 3.9521 3.9521 4.6230 4.6230 4.8525 4.8525 8.4173 8.4173 10.0042 10.0042 10.1277 10.1277 10.6005 10.6005 k = 0.4222-0.6602-0.4029 ( 6359 PWs) bands (ev): -45.6977 -45.6977 -35.7863 -35.7863 -17.7367 -17.7367 -17.5640 -17.5640 -17.5508 -17.5508 -16.8927 -16.8927 -15.5386 -15.5386 -15.4263 -15.4263 -5.8535 -5.8535 -5.5257 -5.5257 2.2507 2.2507 3.2523 3.2523 3.7520 3.7520 3.9616 3.9616 4.5941 4.5941 4.8231 4.8231 8.4121 8.4121 9.9727 9.9727 10.1402 10.1402 10.7048 10.7048 k = 0.4333-0.6776-0.4135 ( 6350 PWs) bands (ev): -45.6977 -45.6977 -35.7862 -35.7862 -17.7367 -17.7367 -17.5641 -17.5641 -17.5508 -17.5508 -16.8937 -16.8937 -15.5406 -15.5406 -15.4263 -15.4263 -5.8507 -5.8507 -5.5172 -5.5172 2.2211 2.2211 3.2639 3.2639 3.7768 3.7768 3.9713 3.9713 4.5643 4.5643 4.8000 4.8000 8.4077 8.4077 9.9430 9.9430 10.1516 10.1516 10.8113 10.8113 k = 0.4444-0.6949-0.4241 ( 6350 PWs) bands (ev): -45.6977 -45.6977 -35.7860 -35.7860 -17.7367 -17.7367 -17.5642 -17.5642 -17.5508 -17.5508 -16.8945 -16.8945 -15.5424 -15.5424 -15.4263 -15.4263 -5.8488 -5.8488 -5.5094 -5.5094 2.1955 2.1955 3.2753 3.2753 3.7975 3.7975 3.9810 3.9810 4.5352 4.5352 4.7824 4.7824 8.4039 8.4039 9.9163 9.9163 10.1616 10.1616 10.9193 10.9193 k = 0.4556-0.7123-0.4347 ( 6353 PWs) bands (ev): -45.6977 -45.6977 -35.7859 -35.7859 -17.7368 -17.7368 -17.5643 -17.5643 -17.5508 -17.5508 -16.8952 -16.8952 -15.5438 -15.5438 -15.4263 -15.4263 -5.8475 -5.8475 -5.5026 -5.5026 2.1742 2.1742 3.2857 3.2857 3.8139 3.8139 3.9904 3.9904 4.5082 4.5082 4.7695 4.7695 8.4009 8.4009 9.8935 9.8935 10.1699 10.1699 11.0283 11.0283 k = 0.4667-0.7297-0.4453 ( 6355 PWs) bands (ev): -45.6977 -45.6977 -35.7858 -35.7858 -17.7368 -17.7368 -17.5644 -17.5644 -17.5508 -17.5508 -16.8958 -16.8958 -15.5449 -15.5449 -15.4263 -15.4263 -5.8466 -5.8466 -5.4971 -5.4971 2.1574 2.1574 3.2946 3.2946 3.8261 3.8261 3.9990 3.9990 4.4852 4.4852 4.7603 4.7603 8.3985 8.3985 9.8751 9.8751 10.1765 10.1765 11.1369 11.1369 k = 0.4778-0.7471-0.4559 ( 6359 PWs) bands (ev): -45.6977 -45.6977 -35.7858 -35.7858 -17.7369 -17.7369 -17.5644 -17.5644 -17.5508 -17.5508 -16.8962 -16.8962 -15.5458 -15.5458 -15.4263 -15.4263 -5.8461 -5.8461 -5.4931 -5.4931 2.1453 2.1453 3.3014 3.3014 3.8344 3.8344 4.0060 4.0060 4.4676 4.4676 4.7542 4.7542 8.3968 8.3968 9.8617 9.8617 10.1812 10.1812 11.2422 11.2422 k = 0.4889-0.7644-0.4665 ( 6358 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7369 -17.7369 -17.5644 -17.5644 -17.5508 -17.5508 -16.8964 -16.8964 -15.5462 -15.5462 -15.4263 -15.4263 -5.8458 -5.8458 -5.4906 -5.4906 2.1380 2.1380 3.3057 3.3057 3.8393 3.8393 4.0106 4.0106 4.4564 4.4564 4.7507 4.7507 8.3958 8.3958 9.8535 9.8535 10.1840 10.1840 11.3334 11.3334 k = 0.5000-0.7818-0.4771 ( 6362 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7369 -17.7369 -17.5645 -17.5645 -17.5508 -17.5508 -16.8965 -16.8965 -15.5464 -15.5464 -15.4263 -15.4263 -5.8458 -5.8458 -5.4898 -5.4898 2.1355 2.1355 3.3071 3.3071 3.8408 3.8408 4.0122 4.0122 4.4526 4.4526 4.7495 4.7495 8.3954 8.3954 9.8508 9.8508 10.1850 10.1850 11.3741 11.3741 k = 0.5000-0.7818-0.4771 ( 6362 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7369 -17.7369 -17.5645 -17.5645 -17.5508 -17.5508 -16.8965 -16.8965 -15.5464 -15.5464 -15.4263 -15.4263 -5.8458 -5.8458 -5.4898 -5.4898 2.1355 2.1355 3.3071 3.3071 3.8408 3.8408 4.0122 4.0122 4.4526 4.4526 4.7495 4.7495 8.3954 8.3954 9.8508 9.8508 10.1850 10.1850 11.3741 11.3741 k = 0.5000-0.7699-0.4967 ( 6358 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7369 -17.7369 -17.5644 -17.5644 -17.5508 -17.5508 -16.8965 -16.8965 -15.5463 -15.5463 -15.4265 -15.4265 -5.8452 -5.8452 -5.4901 -5.4901 2.1371 2.1371 3.3050 3.3050 3.8416 3.8416 4.0132 4.0132 4.4518 4.4518 4.7465 4.7465 8.3996 8.3996 9.8492 9.8492 10.1827 10.1827 11.3654 11.3654 k = 0.5000-0.7580-0.5162 ( 6362 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7369 -17.7369 -17.5645 -17.5645 -17.5508 -17.5508 -16.8965 -16.8965 -15.5462 -15.5462 -15.4269 -15.4269 -5.8435 -5.8435 -5.4909 -5.4909 2.1416 2.1416 3.2987 3.2987 3.8435 3.8435 4.0162 4.0162 4.4494 4.4494 4.7375 4.7375 8.4120 8.4120 9.8445 9.8445 10.1761 10.1761 11.3397 11.3397 k = 0.5000-0.7461-0.5357 ( 6362 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7369 -17.7369 -17.5645 -17.5645 -17.5508 -17.5508 -16.8966 -16.8966 -15.5459 -15.5459 -15.4276 -15.4276 -5.8407 -5.8407 -5.4923 -5.4923 2.1491 2.1491 3.2886 3.2886 3.8462 3.8462 4.0213 4.0213 4.4450 4.4450 4.7232 4.7232 8.4322 8.4322 9.8368 9.8368 10.1654 10.1654 11.2998 11.2998 k = 0.5000-0.7341-0.5552 ( 6368 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7369 -17.7369 -17.5645 -17.5645 -17.5508 -17.5508 -16.8967 -16.8967 -15.5454 -15.5454 -15.4286 -15.4286 -5.8368 -5.8368 -5.4943 -5.4943 2.1597 2.1597 3.2752 3.2752 3.8485 3.8485 4.0287 4.0287 4.4386 4.4386 4.7047 4.7047 8.4595 8.4595 9.8262 9.8262 10.1512 10.1512 11.2503 11.2503 k = 0.5000-0.7222-0.5748 ( 6364 PWs) bands (ev): -45.6977 -45.6977 -35.7856 -35.7856 -17.7369 -17.7369 -17.5645 -17.5645 -17.5508 -17.5508 -16.8968 -16.8968 -15.5449 -15.5449 -15.4298 -15.4298 -5.8319 -5.8319 -5.4967 -5.4967 2.1731 2.1731 3.2589 3.2589 3.8496 3.8496 4.0384 4.0384 4.4297 4.4297 4.6832 4.6832 8.4931 8.4931 9.8129 9.8129 10.1342 10.1342 11.1958 11.1958 k = 0.5000-0.7103-0.5943 ( 6364 PWs) bands (ev): -45.6977 -45.6977 -35.7856 -35.7856 -17.7369 -17.7369 -17.5645 -17.5645 -17.5508 -17.5508 -16.8969 -16.8969 -15.5443 -15.5443 -15.4313 -15.4313 -5.8260 -5.8260 -5.4998 -5.4998 2.1895 2.1895 3.2405 3.2405 3.8480 3.8480 4.0505 4.0505 4.4180 4.4180 4.6604 4.6604 8.5320 8.5320 9.7973 9.7973 10.1152 10.1152 11.1394 11.1394 k = 0.5000-0.6984-0.6138 ( 6366 PWs) bands (ev): -45.6977 -45.6977 -35.7855 -35.7855 -17.7370 -17.7370 -17.5645 -17.5645 -17.5509 -17.5509 -16.8970 -16.8970 -15.5435 -15.5435 -15.4330 -15.4330 -5.8191 -5.8191 -5.5033 -5.5033 2.2088 2.2088 3.2205 3.2205 3.8427 3.8427 4.0650 4.0650 4.4037 4.4037 4.6377 4.6377 8.5749 8.5749 9.7796 9.7796 10.0951 10.0951 11.0828 11.0828 k = 0.5000-0.6865-0.6334 ( 6376 PWs) bands (ev): -45.6977 -45.6977 -35.7855 -35.7855 -17.7370 -17.7370 -17.5646 -17.5646 -17.5509 -17.5509 -16.8972 -16.8972 -15.5427 -15.5427 -15.4349 -15.4349 -5.8113 -5.8113 -5.5072 -5.5072 2.2309 2.2309 3.1993 3.1993 3.8323 3.8323 4.0817 4.0817 4.3871 4.3871 4.6163 4.6163 8.6205 8.6205 9.7606 9.7606 10.0748 10.0748 11.0271 11.0271 k = 0.5000-0.6745-0.6529 ( 6374 PWs) bands (ev): -45.6977 -45.6977 -35.7854 -35.7854 -17.7370 -17.7370 -17.5646 -17.5646 -17.5509 -17.5509 -16.8974 -16.8974 -15.5417 -15.5417 -15.4370 -15.4370 -5.8026 -5.8026 -5.5117 -5.5117 2.2557 2.2557 3.1774 3.1774 3.8158 3.8158 4.1003 4.1003 4.3693 4.3693 4.5968 4.5968 8.6673 8.6673 9.7409 9.7409 10.0551 10.0551 10.9728 10.9728 k = 0.5000-0.6626-0.6724 ( 6374 PWs) bands (ev): -45.6977 -45.6977 -35.7854 -35.7854 -17.7370 -17.7370 -17.5646 -17.5646 -17.5509 -17.5509 -16.8976 -16.8976 -15.5407 -15.5407 -15.4393 -15.4393 -5.7932 -5.7932 -5.5165 -5.5165 2.2832 2.2832 3.1553 3.1553 3.7923 3.7923 4.1205 4.1205 4.3519 4.3519 4.5793 4.5793 8.7138 8.7138 9.7214 9.7214 10.0367 10.0367 10.9200 10.9200 k = 0.5000-0.6507-0.6920 ( 6378 PWs) bands (ev): -45.6977 -45.6977 -35.7853 -35.7853 -17.7371 -17.7371 -17.5647 -17.5647 -17.5510 -17.5510 -16.8978 -16.8978 -15.5396 -15.5396 -15.4417 -15.4417 -5.7832 -5.7832 -5.5218 -5.5218 2.3132 2.3132 3.1331 3.1331 3.7612 3.7612 4.1421 4.1421 4.3363 4.3363 4.5635 4.5635 8.7584 8.7584 9.7034 9.7034 10.0204 10.0204 10.8687 10.8687 k = 0.5000-0.6388-0.7115 ( 6376 PWs) bands (ev): -45.6977 -45.6977 -35.7852 -35.7852 -17.7371 -17.7371 -17.5647 -17.5647 -17.5510 -17.5510 -16.8981 -16.8981 -15.5385 -15.5385 -15.4442 -15.4442 -5.7725 -5.7725 -5.5274 -5.5274 2.3458 2.3458 3.1112 3.1112 3.7227 3.7227 4.1646 4.1646 4.3237 4.3237 4.5490 4.5490 8.7992 8.7992 9.6881 9.6881 10.0067 10.0067 10.8189 10.8189 k = 0.5000-0.6269-0.7310 ( 6372 PWs) bands (ev): -45.6977 -45.6977 -35.7851 -35.7851 -17.7371 -17.7371 -17.5647 -17.5647 -17.5510 -17.5510 -16.8983 -16.8983 -15.5373 -15.5373 -15.4468 -15.4468 -5.7614 -5.7614 -5.5333 -5.5333 2.3807 2.3807 3.0899 3.0899 3.6772 3.6772 4.1878 4.1878 4.3147 4.3147 4.5353 4.5353 8.8344 8.8344 9.6770 9.6770 9.9962 9.9962 10.7704 10.7704 k = 0.5000-0.6149-0.7505 ( 6374 PWs) bands (ev): -45.6977 -45.6977 -35.7851 -35.7851 -17.7371 -17.7371 -17.5647 -17.5647 -17.5510 -17.5510 -16.8986 -16.8986 -15.5361 -15.5361 -15.4494 -15.4494 -5.7499 -5.7499 -5.5395 -5.5395 2.4178 2.4178 3.0692 3.0692 3.6258 3.6258 4.2114 4.2114 4.3093 4.3093 4.5221 4.5221 8.8624 8.8624 9.6715 9.6715 9.9890 9.9890 10.7232 10.7232 k = 0.5000-0.6030-0.7701 ( 6376 PWs) bands (ev): -45.6977 -45.6977 -35.7850 -35.7850 -17.7372 -17.7372 -17.5648 -17.5648 -17.5511 -17.5511 -16.8988 -16.8988 -15.5349 -15.5349 -15.4520 -15.4520 -5.7381 -5.7381 -5.5460 -5.5460 2.4570 2.4570 3.0493 3.0493 3.5697 3.5697 4.2351 4.2351 4.3070 4.3070 4.5095 4.5095 8.8818 8.8818 9.6730 9.6730 9.9854 9.9854 10.6774 10.6774 k = 0.5000-0.5911-0.7896 ( 6386 PWs) bands (ev): -45.6977 -45.6977 -35.7849 -35.7849 -17.7372 -17.7372 -17.5648 -17.5648 -17.5511 -17.5511 -16.8991 -16.8991 -15.5337 -15.5337 -15.4546 -15.4546 -5.7262 -5.7262 -5.5526 -5.5526 2.4981 2.4981 3.0304 3.0304 3.5102 3.5102 4.2581 4.2581 4.3075 4.3075 4.4977 4.4977 8.8919 8.8919 9.6820 9.6820 9.9854 9.9854 10.6329 10.6329 k = 0.5000-0.5792-0.8091 ( 6384 PWs) bands (ev): -45.6977 -45.6977 -35.7848 -35.7848 -17.7372 -17.7372 -17.5649 -17.5649 -17.5511 -17.5511 -16.8993 -16.8993 -15.5326 -15.5326 -15.4570 -15.4570 -5.7143 -5.7143 -5.5593 -5.5593 2.5410 2.5410 3.0124 3.0124 3.4486 3.4486 4.2789 4.2789 4.3108 4.3108 4.4875 4.4875 8.8928 8.8928 9.6983 9.6983 9.9885 9.9885 10.5901 10.5901 k = 0.5000-0.5673-0.8287 ( 6390 PWs) bands (ev): -45.6977 -45.6977 -35.7848 -35.7848 -17.7373 -17.7373 -17.5649 -17.5649 -17.5512 -17.5512 -16.8996 -16.8996 -15.5315 -15.5315 -15.4594 -15.4594 -5.7025 -5.7025 -5.5662 -5.5662 2.5854 2.5854 2.9955 2.9955 3.3859 3.3859 4.2930 4.2930 4.3196 4.3196 4.4800 4.4800 8.8855 8.8855 9.7212 9.7212 9.9943 9.9943 10.5495 10.5495 k = 0.5000-0.5554-0.8482 ( 6390 PWs) bands (ev): -45.6977 -45.6977 -35.7847 -35.7847 -17.7373 -17.7373 -17.5649 -17.5649 -17.5512 -17.5512 -16.8998 -16.8998 -15.5304 -15.5304 -15.4616 -15.4616 -5.6910 -5.6910 -5.5731 -5.5731 2.6310 2.6310 2.9797 2.9797 3.3232 3.3232 4.2972 4.2972 4.3349 4.3349 4.4769 4.4769 8.8713 8.8713 9.7493 9.7493 10.0017 10.0017 10.5121 10.5121 k = 0.5000-0.5434-0.8677 ( 6382 PWs) bands (ev): -45.6977 -45.6977 -35.7846 -35.7846 -17.7373 -17.7373 -17.5649 -17.5649 -17.5512 -17.5512 -16.9001 -16.9001 -15.5295 -15.5295 -15.4635 -15.4635 -5.6798 -5.6798 -5.5799 -5.5799 2.6775 2.6775 2.9649 2.9649 3.2615 3.2615 4.2949 4.2949 4.3510 4.3510 4.4802 4.4802 8.8518 8.8518 9.7809 9.7809 10.0090 10.0090 10.4793 10.4793 k = 0.5000-0.5315-0.8873 ( 6384 PWs) bands (ev): -45.6977 -45.6977 -35.7846 -35.7846 -17.7373 -17.7373 -17.5650 -17.5650 -17.5512 -17.5512 -16.9003 -16.9003 -15.5287 -15.5287 -15.4652 -15.4652 -5.6693 -5.6693 -5.5865 -5.5865 2.7242 2.7242 2.9510 2.9510 3.2020 3.2020 4.2878 4.2878 4.3649 4.3649 4.4909 4.4909 8.8287 8.8287 9.8144 9.8144 10.0140 10.0140 10.4534 10.4534 k = 0.5000-0.5196-0.9068 ( 6384 PWs) bands (ev): -45.6977 -45.6977 -35.7845 -35.7845 -17.7373 -17.7373 -17.5650 -17.5650 -17.5512 -17.5512 -16.9005 -16.9005 -15.5281 -15.5281 -15.4667 -15.4667 -5.6596 -5.6596 -5.5929 -5.5929 2.7703 2.7703 2.9379 2.9379 3.1460 3.1460 4.2765 4.2765 4.3763 4.3763 4.5086 4.5086 8.8035 8.8035 9.8482 9.8482 10.0138 10.0138 10.4371 10.4371 k = 0.5000-0.5077-0.9263 ( 6388 PWs) bands (ev): -45.6977 -45.6977 -35.7845 -35.7845 -17.7374 -17.7374 -17.5651 -17.5651 -17.5512 -17.5512 -16.9006 -16.9006 -15.5276 -15.5276 -15.4678 -15.4678 -5.6510 -5.6510 -5.5987 -5.5987 2.8139 2.8139 2.9251 2.9251 3.0963 3.0963 4.2620 4.2620 4.3857 4.3857 4.5316 4.5316 8.7774 8.7774 9.8802 9.8802 10.0062 10.0062 10.4334 10.4334 k = 0.5000-0.4958-0.9458 ( 6380 PWs) bands (ev): -45.6977 -45.6977 -35.7845 -35.7845 -17.7374 -17.7374 -17.5650 -17.5650 -17.5512 -17.5512 -16.9007 -16.9007 -15.5272 -15.5272 -15.4686 -15.4686 -5.6440 -5.6440 -5.6036 -5.6036 2.8507 2.8507 2.9114 2.9114 3.0583 3.0583 4.2453 4.2453 4.3935 4.3935 4.5586 4.5586 8.7515 8.7515 9.9067 9.9067 9.9922 9.9922 10.4436 10.4436 k = 0.5000-0.4838-0.9654 ( 6382 PWs) bands (ev): -45.6977 -45.6977 -35.7845 -35.7845 -17.7374 -17.7374 -17.5651 -17.5651 -17.5512 -17.5512 -16.9008 -16.9008 -15.5270 -15.5270 -15.4691 -15.4691 -5.6393 -5.6393 -5.6070 -5.6070 2.8719 2.8719 2.8950 2.8950 3.0427 3.0427 4.2273 4.2273 4.4001 4.4001 4.5883 4.5883 8.7266 8.7266 9.9158 9.9158 9.9830 9.9830 10.4673 10.4673 k = 0.5000-0.4719-0.9849 ( 6388 PWs) bands (ev): -45.6977 -45.6977 -35.7845 -35.7845 -17.7374 -17.7374 -17.5651 -17.5651 -17.5513 -17.5513 -16.9008 -16.9008 -15.5270 -15.5270 -15.4692 -15.4692 -5.6377 -5.6377 -5.6081 -5.6081 2.8594 2.8594 2.8868 2.8868 3.0567 3.0567 4.2088 4.2088 4.4053 4.4053 4.6200 4.6200 8.7035 8.7035 9.8932 9.8932 9.9935 9.9935 10.5031 10.5031 k = 0.5000-0.4600-1.0044 ( 6386 PWs) bands (ev): -45.6977 -45.6977 -35.7845 -35.7845 -17.7374 -17.7374 -17.5651 -17.5651 -17.5513 -17.5513 -16.9008 -16.9008 -15.5270 -15.5270 -15.4691 -15.4691 -5.6392 -5.6392 -5.6071 -5.6071 2.8268 2.8268 2.8823 2.8823 3.0911 3.0911 4.1905 4.1905 4.4090 4.4090 4.6533 4.6533 8.6828 8.6828 9.8522 9.8522 10.0118 10.0118 10.5488 10.5488 k = 0.5000-0.4481-1.0240 ( 6390 PWs) bands (ev): -45.6977 -45.6977 -35.7845 -35.7845 -17.7374 -17.7374 -17.5651 -17.5651 -17.5513 -17.5513 -16.9007 -16.9007 -15.5272 -15.5272 -15.4686 -15.4686 -5.6425 -5.6425 -5.6052 -5.6052 2.7912 2.7912 2.8757 2.8757 3.1345 3.1345 4.1731 4.1731 4.4111 4.4111 4.6879 4.6879 8.6648 8.6648 9.8029 9.8029 10.0289 10.0289 10.6027 10.6027 k = 0.5000-0.4362-1.0435 ( 6390 PWs) bands (ev): -45.6977 -45.6977 -35.7845 -35.7845 -17.7374 -17.7374 -17.5651 -17.5651 -17.5513 -17.5513 -16.9005 -16.9005 -15.5273 -15.5273 -15.4679 -15.4679 -5.6465 -5.6465 -5.6036 -5.6036 2.7566 2.7566 2.8682 2.8682 3.1816 3.1816 4.1570 4.1570 4.4114 4.4114 4.7236 4.7236 8.6501 8.6501 9.7485 9.7485 10.0426 10.0426 10.6636 10.6636 k = 0.8138-0.3444-0.8650 ( 6390 PWs) bands (ev): -45.6977 -45.6977 -35.7845 -35.7845 -17.7374 -17.7374 -17.5651 -17.5651 -17.5513 -17.5513 -16.9005 -16.9005 -15.5273 -15.5273 -15.4679 -15.4679 -5.6465 -5.6465 -5.6036 -5.6036 2.7566 2.7566 2.8682 2.8682 3.1816 3.1816 4.1570 4.1570 4.4114 4.4114 4.7236 4.7236 8.6501 8.6501 9.7485 9.7485 10.0426 10.0426 10.6636 10.6636 k = 0.8072-0.3342-0.8451 ( 6390 PWs) bands (ev): -45.6977 -45.6977 -35.7846 -35.7846 -17.7374 -17.7374 -17.5650 -17.5650 -17.5513 -17.5513 -16.9003 -16.9003 -15.5275 -15.5275 -15.4670 -15.4670 -5.6508 -5.6508 -5.6029 -5.6029 2.7241 2.7241 2.8601 2.8601 3.2307 3.2307 4.1424 4.1424 4.4098 4.4098 4.7609 4.7609 8.6386 8.6386 9.6896 9.6896 10.0524 10.0524 10.7317 10.7317 k = 0.8007-0.3240-0.8253 ( 6384 PWs) bands (ev): -45.6977 -45.6977 -35.7846 -35.7846 -17.7373 -17.7373 -17.5650 -17.5650 -17.5513 -17.5513 -16.8999 -16.8999 -15.5276 -15.5276 -15.4658 -15.4658 -5.6551 -5.6551 -5.6034 -5.6034 2.6952 2.6952 2.8516 2.8516 3.2800 3.2800 4.1301 4.1301 4.4060 4.4060 4.7990 4.7990 8.6307 8.6307 9.6282 9.6282 10.0579 10.0579 10.8051 10.8051 k = 0.7942-0.3137-0.8054 ( 6390 PWs) bands (ev): -45.6977 -45.6977 -35.7847 -35.7847 -17.7373 -17.7373 -17.5649 -17.5649 -17.5513 -17.5513 -16.8995 -16.8995 -15.5276 -15.5276 -15.4645 -15.4645 -5.6591 -5.6591 -5.6055 -5.6055 2.6704 2.6704 2.8429 2.8429 3.3286 3.3286 4.1205 4.1205 4.4000 4.4000 4.8377 4.8377 8.6265 8.6265 9.5649 9.5649 10.0596 10.0596 10.8834 10.8834 k = 0.7876-0.3035-0.7855 ( 6382 PWs) bands (ev): -45.6977 -45.6977 -35.7848 -35.7848 -17.7373 -17.7373 -17.5649 -17.5649 -17.5512 -17.5512 -16.8990 -16.8990 -15.5275 -15.5275 -15.4631 -15.4631 -5.6627 -5.6627 -5.6090 -5.6090 2.6500 2.6500 2.8337 2.8337 3.3760 3.3760 4.1139 4.1139 4.3919 4.3919 4.8770 4.8770 8.6260 8.6260 9.5005 9.5005 10.0580 10.0580 10.9658 10.9658 k = 0.7811-0.2933-0.7656 ( 6382 PWs) bands (ev): -45.6977 -45.6977 -35.7849 -35.7849 -17.7372 -17.7372 -17.5648 -17.5648 -17.5512 -17.5512 -16.8984 -16.8984 -15.5272 -15.5272 -15.4616 -15.4616 -5.6661 -5.6661 -5.6143 -5.6143 2.6342 2.6342 2.8242 2.8242 3.4218 3.4218 4.1105 4.1105 4.3817 4.3817 4.9166 4.9166 8.6289 8.6289 9.4354 9.4354 10.0540 10.0540 11.0516 11.0516 k = 0.7746-0.2831-0.7457 ( 6382 PWs) bands (ev): -45.6977 -45.6977 -35.7851 -35.7851 -17.7372 -17.7372 -17.5647 -17.5647 -17.5512 -17.5512 -16.8977 -16.8977 -15.5268 -15.5268 -15.4600 -15.4600 -5.6690 -5.6690 -5.6211 -5.6211 2.6230 2.6230 2.8142 2.8142 3.4656 3.4656 4.1105 4.1105 4.3695 4.3695 4.9563 4.9563 8.6350 8.6350 9.3702 9.3702 10.0487 10.0487 11.1382 11.1382 k = 0.7680-0.2729-0.7259 ( 6378 PWs) bands (ev): -45.6977 -45.6977 -35.7852 -35.7852 -17.7371 -17.7371 -17.5646 -17.5646 -17.5512 -17.5512 -16.8969 -16.8969 -15.5262 -15.5262 -15.4583 -15.4583 -5.6718 -5.6718 -5.6294 -5.6294 2.6166 2.6166 2.8038 2.8038 3.5071 3.5071 4.1140 4.1140 4.3554 4.3554 4.9961 4.9961 8.6440 8.6440 9.3053 9.3053 10.0430 10.0430 11.1875 11.1875 k = 0.7615-0.2626-0.7060 ( 6384 PWs) bands (ev): -45.6977 -45.6977 -35.7854 -35.7854 -17.7371 -17.7371 -17.5645 -17.5645 -17.5512 -17.5512 -16.8960 -16.8960 -15.5253 -15.5253 -15.4566 -15.4566 -5.6746 -5.6746 -5.6391 -5.6391 2.6150 2.6150 2.7931 2.7931 3.5459 3.5459 4.1210 4.1210 4.3399 4.3399 5.0356 5.0356 8.6554 8.6554 9.2412 9.2412 10.0380 10.0380 11.1329 11.1329 k = 0.7549-0.2524-0.6861 ( 6380 PWs) bands (ev): -45.6977 -45.6977 -35.7856 -35.7856 -17.7370 -17.7370 -17.5644 -17.5644 -17.5512 -17.5512 -16.8950 -16.8950 -15.5243 -15.5243 -15.4549 -15.4549 -5.6781 -5.6781 -5.6492 -5.6492 2.6180 2.6180 2.7822 2.7822 3.5819 3.5819 4.1315 4.1315 4.3232 4.3232 5.0746 5.0746 8.6689 8.6689 9.1782 9.1782 10.0348 10.0348 11.0637 11.0637 k = 0.7484-0.2422-0.6662 ( 6376 PWs) bands (ev): -45.6977 -45.6977 -35.7858 -35.7858 -17.7369 -17.7369 -17.5643 -17.5643 -17.5512 -17.5512 -16.8938 -16.8938 -15.5230 -15.5230 -15.4532 -15.4532 -5.6841 -5.6841 -5.6580 -5.6580 2.6255 2.6255 2.7713 2.7713 3.6146 3.6146 4.1450 4.1450 4.3061 4.3061 5.1129 5.1129 8.6839 8.6839 9.1169 9.1169 10.0341 10.0341 10.9919 10.9919 k = 0.7419-0.2320-0.6463 ( 6382 PWs) bands (ev): -45.6977 -45.6977 -35.7860 -35.7860 -17.7368 -17.7368 -17.5642 -17.5642 -17.5512 -17.5512 -16.8926 -16.8926 -15.5216 -15.5216 -15.4514 -15.4514 -5.6949 -5.6949 -5.6632 -5.6632 2.6375 2.6375 2.7606 2.7606 3.6439 3.6439 4.1608 4.1608 4.2895 4.2895 5.1502 5.1502 8.6999 8.6999 9.0577 9.0577 10.0367 10.0367 10.9187 10.9187 k = 0.7353-0.2218-0.6265 ( 6386 PWs) bands (ev): -45.6978 -45.6978 -35.7863 -35.7863 -17.7368 -17.7368 -17.5640 -17.5640 -17.5512 -17.5512 -16.8913 -16.8913 -15.5198 -15.5198 -15.4497 -15.4497 -5.7102 -5.7102 -5.6651 -5.6651 2.6534 2.6534 2.7505 2.7505 3.6695 3.6695 4.1769 4.1769 4.2758 4.2758 5.1860 5.1860 8.7166 8.7166 9.0010 9.0010 10.0431 10.0431 10.8444 10.8444 k = 0.7288-0.2115-0.6066 ( 6382 PWs) bands (ev): -45.6978 -45.6978 -35.7865 -35.7865 -17.7367 -17.7367 -17.5639 -17.5639 -17.5512 -17.5512 -16.8898 -16.8898 -15.5179 -15.5179 -15.4479 -15.4479 -5.7284 -5.7284 -5.6651 -5.6651 2.6725 2.6725 2.7417 2.7417 3.6911 3.6911 4.1884 4.1884 4.2702 4.2702 5.2202 5.2202 8.7335 8.7335 8.9472 8.9472 10.0536 10.0536 10.7694 10.7694 k = 0.7223-0.2013-0.5867 ( 6374 PWs) bands (ev): -45.6978 -45.6978 -35.7868 -35.7868 -17.7365 -17.7365 -17.5637 -17.5637 -17.5511 -17.5511 -16.8883 -16.8883 -15.5158 -15.5158 -15.4462 -15.4462 -5.7487 -5.7487 -5.6640 -5.6640 2.6923 2.6923 2.7367 2.7367 3.7088 3.7088 4.1888 4.1888 4.2795 4.2795 5.2521 5.2521 8.7503 8.7503 8.8969 8.8969 10.0680 10.0680 10.6939 10.6939 k = 0.7157-0.1911-0.5668 ( 6374 PWs) bands (ev): -45.6978 -45.6978 -35.7871 -35.7871 -17.7364 -17.7364 -17.5635 -17.5635 -17.5511 -17.5511 -16.8867 -16.8867 -15.5134 -15.5134 -15.4444 -15.4444 -5.7708 -5.7708 -5.6620 -5.6620 2.7040 2.7040 2.7442 2.7442 3.7224 3.7224 4.1795 4.1795 4.3027 4.3027 5.2816 5.2816 8.7664 8.7664 8.8507 8.8507 10.0862 10.0862 10.6182 10.6182 k = 0.7092-0.1809-0.5469 ( 6372 PWs) bands (ev): -45.6978 -45.6978 -35.7874 -35.7874 -17.7363 -17.7363 -17.5633 -17.5633 -17.5511 -17.5511 -16.8850 -16.8850 -15.5109 -15.5109 -15.4426 -15.4426 -5.7944 -5.7944 -5.6594 -5.6594 2.7032 2.7032 2.7683 2.7683 3.7319 3.7319 4.1665 4.1665 4.3339 4.3339 5.3080 5.3080 8.7800 8.7800 8.8107 8.8107 10.1073 10.1073 10.5429 10.5429 k = 0.7026-0.1706-0.5271 ( 6372 PWs) bands (ev): -45.6978 -45.6978 -35.7877 -35.7877 -17.7362 -17.7362 -17.5631 -17.5631 -17.5511 -17.5511 -16.8832 -16.8832 -15.5082 -15.5082 -15.4408 -15.4408 -5.8193 -5.8193 -5.6561 -5.6561 2.6989 2.6989 2.7996 2.7996 3.7376 3.7376 4.1533 4.1533 4.3702 4.3702 5.3310 5.3310 8.7657 8.7657 8.8026 8.8026 10.1304 10.1304 10.4684 10.4684 k = 0.6961-0.1604-0.5072 ( 6370 PWs) bands (ev): -45.6978 -45.6978 -35.7880 -35.7880 -17.7361 -17.7361 -17.5629 -17.5629 -17.5511 -17.5511 -16.8814 -16.8814 -15.5054 -15.5054 -15.4390 -15.4390 -5.8455 -5.8455 -5.6524 -5.6524 2.6948 2.6948 2.8341 2.8341 3.7397 3.7397 4.1415 4.1415 4.4101 4.4101 5.3501 5.3501 8.7342 8.7342 8.8158 8.8158 10.1538 10.1538 10.3957 10.3957 k = 0.6896-0.1502-0.4873 ( 6368 PWs) bands (ev): -45.6978 -45.6978 -35.7883 -35.7883 -17.7359 -17.7359 -17.5627 -17.5627 -17.5511 -17.5511 -16.8795 -16.8795 -15.5025 -15.5025 -15.4371 -15.4371 -5.8726 -5.8726 -5.6481 -5.6481 2.6918 2.6918 2.8701 2.8701 3.7388 3.7388 4.1319 4.1319 4.4529 4.4529 5.3650 5.3650 8.7065 8.7065 8.8297 8.8297 10.1745 10.1745 10.3270 10.3270 k = 0.6830-0.1400-0.4674 ( 6354 PWs) bands (ev): -45.6978 -45.6978 -35.7887 -35.7887 -17.7358 -17.7358 -17.5625 -17.5625 -17.5510 -17.5510 -16.8775 -16.8775 -15.4994 -15.4994 -15.4352 -15.4352 -5.9006 -5.9006 -5.6434 -5.6434 2.6905 2.6905 2.9063 2.9063 3.7357 3.7357 4.1252 4.1252 4.4983 4.4983 5.3751 5.3751 8.6838 8.6838 8.8431 8.8431 10.1833 10.1833 10.2702 10.2702 k = 0.6765-0.1298-0.4475 ( 6360 PWs) bands (ev): -45.6978 -45.6978 -35.7890 -35.7890 -17.7357 -17.7357 -17.5622 -17.5622 -17.5510 -17.5510 -16.8755 -16.8755 -15.4964 -15.4964 -15.4332 -15.4332 -5.9294 -5.9294 -5.6383 -5.6383 2.6911 2.6911 2.9417 2.9417 3.7311 3.7311 4.1220 4.1220 4.5458 4.5458 5.3802 5.3802 8.6664 8.6664 8.8558 8.8558 10.1550 10.1550 10.2496 10.2496 k = 0.6700-0.1195-0.4277 ( 6352 PWs) bands (ev): -45.6978 -45.6978 -35.7894 -35.7894 -17.7355 -17.7355 -17.5620 -17.5620 -17.5510 -17.5510 -16.8735 -16.8735 -15.4933 -15.4933 -15.4311 -15.4311 -5.9588 -5.9588 -5.6329 -5.6329 2.6937 2.6937 2.9749 2.9749 3.7257 3.7257 4.1231 4.1231 4.5951 4.5951 5.3799 5.3799 8.6542 8.6542 8.8677 8.8677 10.1004 10.1004 10.2534 10.2534 k = 0.6634-0.1093-0.4078 ( 6360 PWs) bands (ev): -45.6978 -45.6978 -35.7898 -35.7898 -17.7354 -17.7354 -17.5618 -17.5618 -17.5510 -17.5510 -16.8714 -16.8714 -15.4902 -15.4902 -15.4288 -15.4288 -5.9886 -5.9886 -5.6271 -5.6271 2.6986 2.6986 3.0047 3.0047 3.7203 3.7203 4.1292 4.1292 4.6460 4.6460 5.3741 5.3741 8.6470 8.6470 8.8785 8.8785 10.0430 10.0430 10.2575 10.2575 k = 0.6569-0.0991-0.3879 ( 6366 PWs) bands (ev): -45.6978 -45.6978 -35.7901 -35.7901 -17.7353 -17.7353 -17.5616 -17.5616 -17.5510 -17.5510 -16.8694 -16.8694 -15.4872 -15.4872 -15.4265 -15.4265 -6.0187 -6.0187 -5.6211 -5.6211 2.7058 2.7058 3.0298 3.0298 3.7151 3.7151 4.1413 4.1413 4.6982 4.6982 5.3628 5.3628 8.6445 8.6445 8.8883 8.8883 9.9888 9.9888 10.2561 10.2561 k = 0.6503-0.0889-0.3680 ( 6362 PWs) bands (ev): -45.6978 -45.6978 -35.7905 -35.7905 -17.7351 -17.7351 -17.5613 -17.5613 -17.5510 -17.5510 -16.8673 -16.8673 -15.4843 -15.4843 -15.4240 -15.4240 -6.0489 -6.0489 -5.6149 -5.6149 2.7154 2.7154 3.0495 3.0495 3.7103 3.7103 4.1605 4.1605 4.7512 4.7512 5.3459 5.3459 8.6460 8.6460 8.8968 8.8968 9.9400 9.9400 10.2478 10.2478 k = 0.6438-0.0787-0.3481 ( 6368 PWs) bands (ev): -45.6979 -45.6979 -35.7909 -35.7909 -17.7350 -17.7350 -17.5611 -17.5611 -17.5510 -17.5510 -16.8652 -16.8652 -15.4816 -15.4816 -15.4213 -15.4213 -6.0792 -6.0792 -5.6085 -5.6085 2.7275 2.7275 3.0631 3.0631 3.7056 3.7056 4.1879 4.1879 4.8046 4.8046 5.3237 5.3237 8.6509 8.6509 8.9040 8.9040 9.8978 9.8978 10.2325 10.2325 k = 0.6373-0.0684-0.3283 ( 6372 PWs) bands (ev): -45.6979 -45.6979 -35.7913 -35.7913 -17.7349 -17.7349 -17.5609 -17.5609 -17.5510 -17.5510 -16.8631 -16.8631 -15.4790 -15.4790 -15.4184 -15.4184 -6.1093 -6.1093 -5.6019 -5.6019 2.7422 2.7422 3.0706 3.0706 3.7004 3.7004 4.2239 4.2239 4.8580 4.8580 5.2966 5.2966 8.6581 8.6581 8.9096 8.9096 9.8636 9.8636 10.2106 10.2106 k = 0.6307-0.0582-0.3084 ( 6372 PWs) bands (ev): -45.6979 -45.6979 -35.7916 -35.7916 -17.7348 -17.7348 -17.5606 -17.5606 -17.5510 -17.5510 -16.8611 -16.8611 -15.4766 -15.4766 -15.4154 -15.4154 -6.1391 -6.1391 -5.5953 -5.5953 2.7594 2.7594 3.0725 3.0725 3.6944 3.6944 4.2689 4.2689 4.9104 4.9104 5.2657 5.2657 8.6667 8.6667 8.9136 8.9136 9.8386 9.8386 10.1826 10.1826 k = 0.6242-0.0480-0.2885 ( 6368 PWs) bands (ev): -45.6979 -45.6979 -35.7920 -35.7920 -17.7346 -17.7346 -17.5604 -17.5604 -17.5510 -17.5510 -16.8591 -16.8591 -15.4744 -15.4744 -15.4122 -15.4122 -6.1684 -6.1684 -5.5887 -5.5887 2.7790 2.7790 3.0696 3.0696 3.6871 3.6871 4.3223 4.3223 4.9599 4.9599 5.2328 5.2328 8.6756 8.6756 8.9158 8.9158 9.8236 9.8236 10.1488 10.1488 k = 0.6177-0.0378-0.2686 ( 6368 PWs) bands (ev): -45.6979 -45.6979 -35.7923 -35.7923 -17.7345 -17.7345 -17.5602 -17.5602 -17.5510 -17.5510 -16.8572 -16.8572 -15.4724 -15.4724 -15.4088 -15.4088 -6.1972 -6.1972 -5.5821 -5.5821 2.8010 2.8010 3.0630 3.0630 3.6785 3.6785 4.3833 4.3833 5.0020 5.0020 5.2027 5.2027 8.6838 8.6838 8.9163 8.9163 9.8195 9.8195 10.1097 10.1097 k = 0.6111-0.0275-0.2487 ( 6372 PWs) bands (ev): -45.6979 -45.6979 -35.7927 -35.7927 -17.7344 -17.7344 -17.5600 -17.5600 -17.5510 -17.5510 -16.8553 -16.8553 -15.4706 -15.4706 -15.4053 -15.4053 -6.2253 -6.2253 -5.5755 -5.5755 2.8249 2.8249 3.0539 3.0539 3.6687 3.6687 4.4505 4.4505 5.0251 5.0251 5.1874 5.1874 8.6905 8.6905 8.9151 8.9151 9.8265 9.8265 10.0657 10.0657 k = 0.6046-0.0173-0.2289 ( 6376 PWs) bands (ev): -45.6979 -45.6979 -35.7930 -35.7930 -17.7343 -17.7343 -17.5597 -17.5597 -17.5510 -17.5510 -16.8534 -16.8534 -15.4690 -15.4690 -15.4018 -15.4018 -6.2525 -6.2525 -5.5690 -5.5690 2.8502 2.8502 3.0437 3.0437 3.6578 3.6578 4.5223 4.5223 5.0154 5.0154 5.2016 5.2016 8.6953 8.6953 8.9120 8.9120 9.8439 9.8439 10.0180 10.0180 k = 0.5981-0.0071-0.2090 ( 6376 PWs) bands (ev): -45.6979 -45.6979 -35.7934 -35.7934 -17.7341 -17.7341 -17.5595 -17.5595 -17.5509 -17.5509 -16.8517 -16.8517 -15.4676 -15.4676 -15.3982 -15.3982 -6.2788 -6.2788 -5.5627 -5.5627 2.8754 2.8754 3.0347 3.0347 3.6461 3.6461 4.5958 4.5958 4.9815 4.9815 5.2381 5.2381 8.6982 8.6982 8.9072 8.9073 9.8669 9.8669 9.9714 9.9714 k = 0.5915 0.0031-0.1891 ( 6376 PWs) bands (ev): -45.6979 -45.6979 -35.7937 -35.7937 -17.7340 -17.7340 -17.5593 -17.5593 -17.5509 -17.5509 -16.8500 -16.8500 -15.4664 -15.4664 -15.3945 -15.3945 -6.3039 -6.3039 -5.5566 -5.5566 2.8978 2.8978 3.0301 3.0301 3.6340 3.6340 4.6658 4.6658 4.9416 4.9416 5.2834 5.2834 8.6991 8.6991 8.9008 8.9008 9.8668 9.8668 9.9545 9.9545 k = 0.5850 0.0133-0.1692 ( 6370 PWs) bands (ev): -45.6979 -45.6979 -35.7940 -35.7940 -17.7339 -17.7339 -17.5591 -17.5591 -17.5509 -17.5509 -16.8484 -16.8484 -15.4654 -15.4654 -15.3909 -15.3909 -6.3279 -6.3279 -5.5507 -5.5507 2.9125 2.9125 3.0353 3.0353 3.6218 3.6218 4.7171 4.7171 4.9158 4.9158 5.3313 5.3313 8.6987 8.6987 8.8926 8.8926 9.8189 9.8189 9.9914 9.9914 k = 0.5784 0.0236-0.1493 ( 6368 PWs) bands (ev): -45.6979 -45.6979 -35.7942 -35.7942 -17.7338 -17.7338 -17.5589 -17.5589 -17.5509 -17.5509 -16.8469 -16.8469 -15.4645 -15.4645 -15.3874 -15.3874 -6.3505 -6.3505 -5.5451 -5.5451 2.9161 2.9161 3.0540 3.0540 3.6097 3.6097 4.7203 4.7203 4.9350 4.9350 5.3796 5.3796 8.6974 8.6974 8.8829 8.8829 9.7561 9.7561 10.0489 10.0489 k = 0.5719 0.0338-0.1295 ( 6364 PWs) bands (ev): -45.6980 -45.6980 -35.7945 -35.7945 -17.7337 -17.7337 -17.5587 -17.5587 -17.5509 -17.5509 -16.8455 -16.8455 -15.4637 -15.4637 -15.3840 -15.3840 -6.3718 -6.3718 -5.5398 -5.5398 2.9108 2.9108 3.0843 3.0843 3.5980 3.5980 4.6798 4.6798 4.9946 4.9946 5.4273 5.4273 8.6958 8.6958 8.8714 8.8714 9.6889 9.6889 10.1163 10.1163 k = 0.5654 0.0440-0.1096 ( 6364 PWs) bands (ev): -45.6980 -45.6980 -35.7948 -35.7948 -17.7336 -17.7336 -17.5586 -17.5586 -17.5509 -17.5509 -16.8442 -16.8442 -15.4630 -15.4630 -15.3807 -15.3807 -6.3915 -6.3915 -5.5348 -5.5348 2.9009 2.9009 3.1217 3.1217 3.5870 3.5870 4.6221 4.6221 5.0678 5.0678 5.4741 5.4741 8.6943 8.6943 8.8583 8.8583 9.6203 9.6203 10.1905 10.1905 k = 0.5588 0.0542-0.0897 ( 6370 PWs) bands (ev): -45.6980 -45.6980 -35.7950 -35.7950 -17.7335 -17.7335 -17.5585 -17.5585 -17.5509 -17.5509 -16.8430 -16.8430 -15.4625 -15.4625 -15.3776 -15.3776 -6.4096 -6.4096 -5.5302 -5.5302 2.8892 2.8892 3.1635 3.1635 3.5770 3.5770 4.5581 4.5581 5.1430 5.1430 5.5195 5.5195 8.6933 8.6933 8.8434 8.8434 9.5524 9.5524 10.2694 10.2694 k = 0.5523 0.0644-0.0698 ( 6368 PWs) bands (ev): -45.6980 -45.6980 -35.7952 -35.7952 -17.7335 -17.7335 -17.5583 -17.5583 -17.5509 -17.5509 -16.8419 -16.8419 -15.4620 -15.4620 -15.3748 -15.3748 -6.4260 -6.4260 -5.5261 -5.5261 2.8772 2.8772 3.2077 3.2077 3.5683 3.5683 4.4916 4.4916 5.2155 5.2155 5.5637 5.5637 8.6930 8.6930 8.8268 8.8268 9.4870 9.4870 10.3510 10.3510 k = 0.5458 0.0747-0.0499 ( 6386 PWs) bands (ev): -45.6980 -45.6980 -35.7954 -35.7954 -17.7334 -17.7334 -17.5583 -17.5583 -17.5509 -17.5509 -16.8410 -16.8410 -15.4616 -15.4616 -15.3722 -15.3722 -6.4407 -6.4407 -5.5223 -5.5223 2.8658 2.8658 3.2531 3.2531 3.5614 3.5614 4.4246 4.4246 5.2827 5.2827 5.6063 5.6063 8.6935 8.6935 8.8085 8.8085 9.4260 9.4260 10.4332 10.4332 k = 0.5392 0.0849-0.0300 ( 6390 PWs) bands (ev): -45.6980 -45.6980 -35.7956 -35.7956 -17.7334 -17.7334 -17.5582 -17.5582 -17.5509 -17.5509 -16.8402 -16.8402 -15.4613 -15.4613 -15.3699 -15.3699 -6.4536 -6.4536 -5.5190 -5.5190 2.8552 2.8552 3.2982 3.2982 3.5567 3.5567 4.3586 4.3586 5.3424 5.3424 5.6473 5.6473 8.6946 8.6946 8.7889 8.7889 9.3711 9.3711 10.5133 10.5133 k = 0.5327 0.0951-0.0102 ( 6394 PWs) bands (ev): -45.6980 -45.6980 -35.7957 -35.7957 -17.7334 -17.7334 -17.5581 -17.5581 -17.5509 -17.5509 -16.8394 -16.8394 -15.4611 -15.4611 -15.3679 -15.3679 -6.4646 -6.4646 -5.5162 -5.5162 2.8460 2.8460 3.3411 3.3411 3.5552 3.5552 4.2950 4.2950 5.3934 5.3934 5.6858 5.6858 8.6962 8.6962 8.7686 8.7686 9.3237 9.3237 10.5879 10.5879 k = 0.5261 0.1053 0.0097 ( 6402 PWs) bands (ev): -45.6980 -45.6980 -35.7958 -35.7958 -17.7333 -17.7333 -17.5580 -17.5580 -17.5509 -17.5509 -16.8389 -16.8389 -15.4609 -15.4609 -15.3663 -15.3663 -6.4736 -6.4736 -5.5138 -5.5138 2.8382 2.8382 3.3790 3.3790 3.5579 3.5579 4.2358 4.2358 5.4349 5.4349 5.7209 5.7209 8.6980 8.6980 8.7489 8.7489 9.2846 9.2846 10.6525 10.6525 k = 0.5196 0.1155 0.0296 ( 6400 PWs) bands (ev): -45.6980 -45.6980 -35.7959 -35.7959 -17.7333 -17.7333 -17.5580 -17.5580 -17.5509 -17.5509 -16.8384 -16.8384 -15.4607 -15.4607 -15.3649 -15.3649 -6.4807 -6.4807 -5.5120 -5.5120 2.8320 2.8320 3.4091 3.4091 3.5656 3.5656 4.1832 4.1832 5.4667 5.4667 5.7508 5.7508 8.6995 8.6995 8.7314 8.7314 9.2544 9.2544 10.7018 10.7018 k = 0.5131 0.1258 0.0495 ( 6400 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7333 -17.7333 -17.5579 -17.5579 -17.5509 -17.5509 -16.8381 -16.8381 -15.4606 -15.4606 -15.3640 -15.3640 -6.4858 -6.4858 -5.5107 -5.5107 2.8275 2.8275 3.4294 3.4294 3.5773 3.5773 4.1408 4.1408 5.4889 5.4889 5.7738 5.7738 8.7001 8.7001 8.7180 8.7180 9.2330 9.2330 10.7325 10.7325 k = 0.5065 0.1360 0.0694 ( 6396 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7333 -17.7333 -17.5579 -17.5579 -17.5509 -17.5509 -16.8379 -16.8379 -15.4606 -15.4606 -15.3634 -15.3634 -6.4888 -6.4888 -5.5099 -5.5099 2.8248 2.8248 3.4403 3.4403 3.5882 3.5882 4.1125 4.1125 5.5021 5.5021 5.7884 5.7884 8.6987 8.6987 8.7111 8.7111 9.2203 9.2203 10.7470 10.7470 k = 0.5000 0.1462 0.0892 ( 6388 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5579 -17.5579 -17.5509 -17.5509 -16.8378 -16.8378 -15.4606 -15.4606 -15.3632 -15.3632 -6.4898 -6.4898 -5.5096 -5.5096 2.8239 2.8239 3.4436 3.4436 3.5927 3.5927 4.1026 4.1026 5.5065 5.5065 5.7933 5.7933 8.6974 8.6974 8.7095 8.7095 9.2161 9.2161 10.7509 10.7509 k = 0.5000 0.1462 0.0892 ( 6388 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5579 -17.5579 -17.5509 -17.5509 -16.8378 -16.8378 -15.4606 -15.4606 -15.3632 -15.3632 -6.4898 -6.4898 -5.5096 -5.5096 2.8239 2.8239 3.4436 3.4436 3.5927 3.5927 4.1026 4.1026 5.5065 5.5065 5.7933 5.7933 8.6974 8.6974 8.7095 8.7095 9.2161 9.2161 10.7509 10.7509 k = 0.4783 0.1399 0.0854 ( 6394 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5579 -17.5579 -17.5509 -17.5509 -16.8378 -16.8378 -15.4606 -15.4606 -15.3632 -15.3632 -6.4901 -6.4901 -5.5092 -5.5092 2.8188 2.8188 3.4432 3.4432 3.5926 3.5926 4.1100 4.1100 5.5068 5.5068 5.7936 5.7936 8.6974 8.6974 8.7094 8.7094 9.2167 9.2167 10.7343 10.7343 k = 0.4565 0.1335 0.0815 ( 6397 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7333 -17.7333 -17.5579 -17.5579 -17.5509 -17.5509 -16.8378 -16.8378 -15.4605 -15.4605 -15.3632 -15.3632 -6.4910 -6.4910 -5.5079 -5.5079 2.8040 2.8040 3.4420 3.4420 3.5923 3.5923 4.1318 4.1318 5.5079 5.5079 5.7945 5.7945 8.6971 8.6971 8.7091 8.7091 9.2182 9.2182 10.6870 10.6870 k = 0.4348 0.1271 0.0776 ( 6397 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7333 -17.7333 -17.5579 -17.5579 -17.5509 -17.5509 -16.8378 -16.8378 -15.4605 -15.4605 -15.3632 -15.3632 -6.4924 -6.4924 -5.5058 -5.5058 2.7804 2.7804 3.4402 3.4402 3.5918 3.5918 4.1668 4.1668 5.5098 5.5098 5.7958 5.7958 8.6967 8.6967 8.7086 8.7086 9.2207 9.2207 10.6155 10.6155 k = 0.4130 0.1208 0.0737 ( 6385 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5579 -17.5579 -17.5508 -17.5508 -16.8378 -16.8378 -15.4605 -15.4605 -15.3632 -15.3632 -6.4944 -6.4944 -5.5029 -5.5029 2.7496 2.7496 3.4381 3.4381 3.5912 3.5912 4.2132 4.2132 5.5123 5.5123 5.7978 5.7978 8.6961 8.6961 8.7080 8.7080 9.2241 9.2241 10.5270 10.5270 k = 0.3913 0.1144 0.0698 ( 6385 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5579 -17.5579 -17.5509 -17.5509 -16.8378 -16.8378 -15.4605 -15.4605 -15.3632 -15.3632 -6.4968 -6.4968 -5.4994 -5.4994 2.7132 2.7132 3.4358 3.4358 3.5903 3.5903 4.2689 4.2689 5.5155 5.5155 5.8001 5.8001 8.6953 8.6953 8.7071 8.7071 9.2281 9.2281 10.4274 10.4274 k = 0.3696 0.1081 0.0660 ( 6385 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5579 -17.5579 -17.5509 -17.5509 -16.8377 -16.8377 -15.4605 -15.4605 -15.3632 -15.3632 -6.4997 -6.4997 -5.4951 -5.4951 2.6728 2.6728 3.4334 3.4334 3.5893 3.5893 4.3321 4.3321 5.5195 5.5195 5.8030 5.8030 8.6944 8.6944 8.7062 8.7062 9.2324 9.2324 10.3211 10.3211 k = 0.3478 0.1017 0.0621 ( 6379 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5579 -17.5579 -17.5508 -17.5508 -16.8377 -16.8377 -15.4605 -15.4605 -15.3632 -15.3632 -6.5029 -6.5029 -5.4904 -5.4904 2.6299 2.6299 3.4311 3.4311 3.5882 3.5882 4.4012 4.4012 5.5241 5.5241 5.8062 5.8062 8.6934 8.6934 8.7050 8.7050 9.2366 9.2366 10.2117 10.2117 k = 0.3261 0.0954 0.0582 ( 6373 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5579 -17.5579 -17.5508 -17.5508 -16.8377 -16.8377 -15.4604 -15.4604 -15.3632 -15.3632 -6.5064 -6.5064 -5.4851 -5.4851 2.5856 2.5856 3.4288 3.4288 3.5869 3.5869 4.4743 4.4743 5.5294 5.5294 5.8097 5.8097 8.6923 8.6923 8.7037 8.7037 9.2402 9.2402 10.1017 10.1017 k = 0.3043 0.0890 0.0543 ( 6364 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5578 -17.5578 -17.5508 -17.5508 -16.8377 -16.8377 -15.4604 -15.4604 -15.3632 -15.3632 -6.5102 -6.5102 -5.4796 -5.4796 2.5410 2.5410 3.4265 3.4265 3.5856 3.5856 4.5503 4.5503 5.5354 5.5354 5.8136 5.8136 8.6910 8.6910 8.7024 8.7024 9.2422 9.2422 9.9937 9.9937 k = 0.2826 0.0826 0.0504 ( 6373 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5579 -17.5579 -17.5509 -17.5509 -16.8377 -16.8377 -15.4604 -15.4604 -15.3632 -15.3632 -6.5141 -6.5141 -5.4737 -5.4737 2.4971 2.4971 3.4244 3.4244 3.5842 3.5842 4.6278 4.6278 5.5421 5.5421 5.8176 5.8176 8.6897 8.6897 8.7009 8.7009 9.2414 9.2414 9.8901 9.8901 k = 0.2609 0.0763 0.0466 ( 6367 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5579 -17.5579 -17.5509 -17.5509 -16.8376 -16.8376 -15.4603 -15.4603 -15.3632 -15.3632 -6.5180 -6.5180 -5.4678 -5.4678 2.4544 2.4544 3.4223 3.4223 3.5828 3.5828 4.7056 4.7056 5.5496 5.5496 5.8217 5.8217 8.6883 8.6883 8.6994 8.6994 9.2357 9.2357 9.7938 9.7938 k = 0.2391 0.0699 0.0427 ( 6367 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5579 -17.5579 -17.5509 -17.5509 -16.8376 -16.8376 -15.4603 -15.4603 -15.3632 -15.3632 -6.5220 -6.5220 -5.4618 -5.4618 2.4135 2.4135 3.4203 3.4203 3.5813 3.5813 4.7824 4.7824 5.5578 5.5578 5.8259 5.8259 8.6869 8.6869 8.6978 8.6978 9.2225 9.2225 9.7086 9.7086 k = 0.2174 0.0636 0.0388 ( 6361 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5579 -17.5579 -17.5509 -17.5509 -16.8376 -16.8376 -15.4603 -15.4603 -15.3632 -15.3632 -6.5259 -6.5259 -5.4560 -5.4560 2.3750 2.3750 3.4185 3.4185 3.5799 3.5799 4.8570 4.8570 5.5669 5.5669 5.8300 5.8300 8.6855 8.6855 8.6962 8.6962 9.1984 9.1984 9.6383 9.6383 k = 0.1957 0.0572 0.0349 ( 6361 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5579 -17.5579 -17.5509 -17.5509 -16.8376 -16.8376 -15.4602 -15.4602 -15.3632 -15.3632 -6.5296 -6.5296 -5.4503 -5.4503 2.3392 2.3392 3.4167 3.4167 3.5785 3.5785 4.9284 4.9284 5.5769 5.5769 5.8340 5.8340 8.6841 8.6841 8.6947 8.6947 9.1615 9.1615 9.5860 9.5860 k = 0.1739 0.0509 0.0310 ( 6355 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5578 -17.5578 -17.5509 -17.5509 -16.8375 -16.8375 -15.4602 -15.4602 -15.3632 -15.3632 -6.5332 -6.5332 -5.4449 -5.4449 2.3065 2.3065 3.4151 3.4151 3.5772 3.5772 4.9951 4.9951 5.5879 5.5879 5.8378 5.8378 8.6828 8.6828 8.6932 8.6932 9.1127 9.1127 9.5513 9.5513 k = 0.1522 0.0445 0.0272 ( 6355 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5578 -17.5578 -17.5509 -17.5509 -16.8375 -16.8375 -15.4602 -15.4602 -15.3632 -15.3632 -6.5364 -6.5364 -5.4399 -5.4399 2.2770 2.2770 3.4136 3.4136 3.5760 3.5760 5.0560 5.0560 5.5998 5.5998 5.8414 5.8414 8.6815 8.6815 8.6918 8.6918 9.0564 9.0564 9.5309 9.5309 k = 0.1304 0.0381 0.0233 ( 6361 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5578 -17.5578 -17.5510 -17.5510 -16.8375 -16.8375 -15.4602 -15.4602 -15.3632 -15.3632 -6.5394 -6.5394 -5.4354 -5.4354 2.2511 2.2511 3.4123 3.4123 3.5748 3.5748 5.1100 5.1100 5.6126 5.6126 5.8447 5.8447 8.6803 8.6803 8.6905 8.6905 8.9979 8.9979 9.5202 9.5202 k = 0.1087 0.0318 0.0194 ( 6352 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5578 -17.5578 -17.5509 -17.5509 -16.8375 -16.8375 -15.4601 -15.4601 -15.3632 -15.3632 -6.5419 -6.5419 -5.4315 -5.4315 2.2288 2.2288 3.4112 3.4112 3.5739 3.5739 5.1563 5.1563 5.6257 5.6257 5.8475 5.8475 8.6793 8.6793 8.6894 8.6894 8.9419 8.9419 9.5154 9.5154 k = 0.0870 0.0254 0.0155 ( 6346 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5578 -17.5578 -17.5509 -17.5509 -16.8375 -16.8375 -15.4601 -15.4601 -15.3632 -15.3632 -6.5441 -6.5441 -5.4282 -5.4282 2.2105 2.2105 3.4102 3.4102 3.5730 3.5730 5.1941 5.1941 5.6387 5.6387 5.8499 5.8499 8.6784 8.6784 8.6884 8.6884 8.8919 8.8919 9.5140 9.5140 k = 0.0652 0.0191 0.0116 ( 6353 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5578 -17.5578 -17.5510 -17.5510 -16.8375 -16.8375 -15.4601 -15.4601 -15.3632 -15.3632 -6.5458 -6.5458 -5.4255 -5.4255 2.1960 2.1960 3.4095 3.4095 3.5724 3.5724 5.2232 5.2232 5.6504 5.6504 5.8519 5.8519 8.6777 8.6777 8.6876 8.6876 8.8506 8.8506 9.5143 9.5143 k = 0.0435 0.0127 0.0078 ( 6359 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7333 -17.7333 -17.5578 -17.5578 -17.5510 -17.5510 -16.8375 -16.8375 -15.4601 -15.4601 -15.3632 -15.3632 -6.5470 -6.5470 -5.4236 -5.4236 2.1857 2.1857 3.4089 3.4089 3.5719 3.5719 5.2438 5.2438 5.6599 5.6599 5.8533 5.8533 8.6772 8.6772 8.6871 8.6871 8.8198 8.8198 9.5151 9.5151 k = 0.0217 0.0064 0.0039 ( 6350 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5578 -17.5578 -17.5509 -17.5509 -16.8374 -16.8374 -15.4601 -15.4601 -15.3632 -15.3632 -6.5478 -6.5478 -5.4224 -5.4224 2.1795 2.1795 3.4086 3.4086 3.5716 3.5716 5.2560 5.2560 5.6661 5.6661 5.8541 5.8541 8.6769 8.6769 8.6867 8.6867 8.8008 8.8008 9.5158 9.5158 k = 0.0000 0.0000 0.0000 ( 6347 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5578 -17.5578 -17.5509 -17.5509 -16.8374 -16.8374 -15.4601 -15.4601 -15.3632 -15.3632 -6.5480 -6.5480 -5.4220 -5.4220 2.1774 2.1774 3.4085 3.4085 3.5715 3.5715 5.2601 5.2601 5.6683 5.6683 5.8544 5.8544 8.6768 8.6768 8.6866 8.6866 8.7944 8.7944 9.5161 9.5161 k = 0.0000 0.0000 0.0000 ( 6347 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5578 -17.5578 -17.5509 -17.5509 -16.8374 -16.8374 -15.4601 -15.4601 -15.3632 -15.3632 -6.5480 -6.5480 -5.4220 -5.4220 2.1774 2.1774 3.4085 3.4085 3.5715 3.5715 5.2601 5.2601 5.6683 5.6683 5.8544 5.8544 8.6768 8.6768 8.6866 8.6866 8.7944 8.7944 9.5161 9.5161 k = 0.0065-0.0101-0.0197 ( 6345 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5578 -17.5578 -17.5509 -17.5509 -16.8375 -16.8375 -15.4601 -15.4601 -15.3634 -15.3634 -6.5470 -6.5470 -5.4224 -5.4224 2.1787 2.1787 3.4079 3.4079 3.5707 3.5707 5.2606 5.2606 5.6653 5.6653 5.8489 5.8489 8.6791 8.6791 8.6888 8.6888 8.8001 8.8001 9.5177 9.5177 k = 0.0129-0.0202-0.0394 ( 6347 PWs) bands (ev): -45.6980 -45.6980 -35.7959 -35.7959 -17.7333 -17.7333 -17.5579 -17.5579 -17.5509 -17.5509 -16.8377 -16.8377 -15.4602 -15.4602 -15.3640 -15.3640 -6.5439 -6.5439 -5.4234 -5.4234 2.1827 2.1827 3.4059 3.4059 3.5685 3.5685 5.2616 5.2616 5.6564 5.6564 5.8328 5.8328 8.6845 8.6845 8.6958 8.6958 8.8175 8.8175 9.5224 9.5224 k = 0.0194-0.0304-0.0591 ( 6347 PWs) bands (ev): -45.6980 -45.6980 -35.7959 -35.7959 -17.7333 -17.7333 -17.5579 -17.5579 -17.5509 -17.5509 -16.8380 -16.8380 -15.4603 -15.4603 -15.3649 -15.3649 -6.5388 -6.5388 -5.4252 -5.4252 2.1893 2.1893 3.4023 3.4023 3.5653 3.5653 5.2619 5.2619 5.6416 5.6416 5.8084 5.8084 8.6917 8.6917 8.7069 8.7069 8.8476 8.8476 9.5307 9.5307 k = 0.0259-0.0405-0.0788 ( 6347 PWs) bands (ev): -45.6980 -45.6980 -35.7958 -35.7958 -17.7333 -17.7333 -17.5580 -17.5580 -17.5509 -17.5509 -16.8385 -16.8385 -15.4604 -15.4604 -15.3662 -15.3662 -6.5317 -6.5317 -5.4276 -5.4276 2.1986 2.1986 3.3967 3.3967 3.5620 3.5620 5.2590 5.2590 5.6213 5.6213 5.7786 5.7786 8.7008 8.7008 8.7202 8.7202 8.8898 8.8898 9.5431 9.5431 k = 0.0324-0.0506-0.0984 ( 6347 PWs) bands (ev): -45.6980 -45.6980 -35.7957 -35.7957 -17.7333 -17.7333 -17.5580 -17.5580 -17.5510 -17.5510 -16.8391 -16.8391 -15.4606 -15.4606 -15.3678 -15.3678 -6.5227 -6.5227 -5.4306 -5.4306 2.2105 2.2105 3.3884 3.3884 3.5592 3.5592 5.2491 5.2491 5.5966 5.5966 5.7473 5.7473 8.7121 8.7121 8.7349 8.7349 8.9418 8.9418 9.5605 9.5605 k = 0.0388-0.0607-0.1181 ( 6343 PWs) bands (ev): -45.6980 -45.6980 -35.7955 -35.7955 -17.7334 -17.7334 -17.5581 -17.5581 -17.5509 -17.5509 -16.8398 -16.8398 -15.4609 -15.4609 -15.3698 -15.3698 -6.5116 -6.5116 -5.4343 -5.4343 2.2250 2.2250 3.3773 3.3773 3.5579 3.5579 5.2277 5.2277 5.5695 5.5695 5.7185 5.7185 8.7255 8.7255 8.7508 8.7508 9.0003 9.0003 9.5842 9.5842 k = 0.0453-0.0709-0.1378 ( 6343 PWs) bands (ev): -45.6980 -45.6980 -35.7954 -35.7954 -17.7334 -17.7334 -17.5582 -17.5582 -17.5510 -17.5510 -16.8406 -16.8406 -15.4612 -15.4612 -15.3720 -15.3720 -6.4987 -6.4987 -5.4387 -5.4387 2.2420 2.2420 3.3631 3.3631 3.5585 3.5585 5.1909 5.1909 5.5418 5.5418 5.6955 5.6955 8.7412 8.7412 8.7681 8.7681 9.0612 9.0612 9.6156 9.6156 k = 0.0518-0.0810-0.1575 ( 6341 PWs) bands (ev): -45.6980 -45.6980 -35.7952 -35.7952 -17.7335 -17.7335 -17.5583 -17.5583 -17.5510 -17.5510 -16.8416 -16.8416 -15.4616 -15.4616 -15.3746 -15.3746 -6.4840 -6.4840 -5.4436 -5.4436 2.2614 2.2614 3.3462 3.3462 3.5612 3.5612 5.1372 5.1372 5.5135 5.5135 5.6809 5.6809 8.7591 8.7591 8.7869 8.7869 9.1207 9.1207 9.6564 9.6564 k = 0.0583-0.0911-0.1772 ( 6335 PWs) bands (ev): -45.6979 -45.6979 -35.7950 -35.7950 -17.7335 -17.7335 -17.5584 -17.5584 -17.5510 -17.5510 -16.8426 -16.8426 -15.4620 -15.4620 -15.3774 -15.3774 -6.4674 -6.4674 -5.4491 -5.4491 2.2834 2.2834 3.3271 3.3271 3.5659 3.5659 5.0685 5.0685 5.4825 5.4825 5.6755 5.6755 8.7791 8.7791 8.8071 8.8071 9.1755 9.1755 9.7077 9.7077 k = 0.0647-0.1012-0.1969 ( 6343 PWs) bands (ev): -45.6979 -45.6979 -35.7948 -35.7948 -17.7336 -17.7336 -17.5586 -17.5586 -17.5510 -17.5510 -16.8438 -16.8438 -15.4626 -15.4626 -15.3804 -15.3804 -6.4492 -6.4492 -5.4551 -5.4551 2.3076 2.3076 3.3063 3.3063 3.5722 3.5722 4.9883 4.9883 5.4478 5.4478 5.6781 5.6781 8.8011 8.8011 8.8286 8.8286 9.2236 9.2236 9.7694 9.7694 k = 0.0712-0.1113-0.2166 ( 6342 PWs) bands (ev): -45.6979 -45.6979 -35.7945 -35.7945 -17.7337 -17.7337 -17.5587 -17.5587 -17.5510 -17.5510 -16.8451 -16.8451 -15.4632 -15.4632 -15.3836 -15.3836 -6.4293 -6.4293 -5.4616 -5.4616 2.3342 2.3342 3.2844 3.2844 3.5799 3.5799 4.8999 4.8999 5.4090 5.4090 5.6861 5.6861 8.8251 8.8251 8.8514 8.8514 9.2646 9.2646 9.8400 9.8400 k = 0.0777-0.1215-0.2363 ( 6342 PWs) bands (ev): -45.6979 -45.6979 -35.7943 -35.7943 -17.7338 -17.7338 -17.5589 -17.5589 -17.5510 -17.5510 -16.8465 -16.8465 -15.4640 -15.4640 -15.3870 -15.3870 -6.4079 -6.4079 -5.4686 -5.4686 2.3630 2.3630 3.2620 3.2620 3.5886 3.5886 4.8062 4.8062 5.3668 5.3668 5.6967 5.6967 8.8509 8.8509 8.8750 8.8750 9.2996 9.2996 9.9165 9.9165 k = 0.0842-0.1316-0.2560 ( 6346 PWs) bands (ev): -45.6979 -45.6979 -35.7940 -35.7940 -17.7339 -17.7339 -17.5591 -17.5591 -17.5510 -17.5510 -16.8480 -16.8480 -15.4649 -15.4649 -15.3905 -15.3905 -6.3850 -6.3850 -5.4760 -5.4760 2.3939 2.3939 3.2395 3.2395 3.5979 3.5979 4.7094 4.7094 5.3218 5.3218 5.7077 5.7077 8.8782 8.8782 8.8994 8.8994 9.3302 9.3302 9.9955 9.9955 k = 0.0906-0.1417-0.2756 ( 6352 PWs) bands (ev): -45.6979 -45.6979 -35.7937 -35.7937 -17.7340 -17.7340 -17.5593 -17.5593 -17.5510 -17.5510 -16.8496 -16.8496 -15.4659 -15.4659 -15.3940 -15.3940 -6.3607 -6.3607 -5.4837 -5.4837 2.4268 2.4268 3.2174 3.2174 3.6073 3.6073 4.6110 4.6110 5.2747 5.2747 5.7173 5.7173 8.9066 8.9066 8.9242 8.9242 9.3580 9.3580 10.0734 10.0734 k = 0.0971-0.1518-0.2953 ( 6352 PWs) bands (ev): -45.6979 -45.6979 -35.7934 -35.7934 -17.7341 -17.7341 -17.5594 -17.5594 -17.5510 -17.5510 -16.8512 -16.8512 -15.4671 -15.4671 -15.3976 -15.3976 -6.3353 -6.3353 -5.4918 -5.4918 2.4616 2.4616 3.1960 3.1960 3.6165 3.6165 4.5126 4.5126 5.2259 5.2259 5.7243 5.7243 8.9348 8.9348 8.9502 8.9502 9.3846 9.3846 10.1464 10.1464 k = 0.1036-0.1620-0.3150 ( 6354 PWs) bands (ev): -45.6979 -45.6979 -35.7931 -35.7931 -17.7343 -17.7343 -17.5597 -17.5597 -17.5510 -17.5510 -16.8530 -16.8530 -15.4685 -15.4685 -15.4012 -15.4012 -6.3086 -6.3086 -5.5001 -5.5001 2.4981 2.4981 3.1756 3.1756 3.6249 3.6249 4.4154 4.4154 5.1759 5.1759 5.7277 5.7277 8.9605 8.9605 8.9789 8.9789 9.4115 9.4115 10.2111 10.2111 k = 0.1101-0.1721-0.3347 ( 6358 PWs) bands (ev): -45.6979 -45.6979 -35.7927 -35.7927 -17.7344 -17.7344 -17.5599 -17.5599 -17.5510 -17.5510 -16.8548 -16.8548 -15.4700 -15.4700 -15.4048 -15.4048 -6.2809 -6.2809 -5.5087 -5.5087 2.5362 2.5362 3.1563 3.1563 3.6318 3.6318 4.3207 4.3207 5.1250 5.1250 5.7268 5.7268 8.9825 8.9825 9.0108 9.0108 9.4396 9.4396 10.2646 10.2646 k = 0.1165-0.1822-0.3544 ( 6360 PWs) bands (ev): -45.6979 -45.6979 -35.7924 -35.7924 -17.7345 -17.7345 -17.5601 -17.5601 -17.5510 -17.5510 -16.8567 -16.8567 -15.4718 -15.4718 -15.4082 -15.4082 -6.2524 -6.2524 -5.5174 -5.5174 2.5755 2.5755 3.1383 3.1383 3.6362 3.6362 4.2299 4.2299 5.0738 5.0738 5.7213 5.7213 9.0012 9.0012 9.0449 9.0449 9.4698 9.4698 10.3048 10.3048 k = 0.1230-0.1923-0.3741 ( 6348 PWs) bands (ev): -45.6979 -45.6979 -35.7920 -35.7920 -17.7346 -17.7346 -17.5603 -17.5603 -17.5510 -17.5510 -16.8586 -16.8586 -15.4738 -15.4738 -15.4116 -15.4116 -6.2230 -6.2230 -5.5263 -5.5263 2.6160 2.6160 3.1219 3.1219 3.6368 3.6368 4.1447 4.1447 5.0223 5.0223 5.7109 5.7109 9.0168 9.0168 9.0802 9.0802 9.5026 9.5026 10.3309 10.3309 k = 0.1295-0.2025-0.3938 ( 6354 PWs) bands (ev): -45.6979 -45.6979 -35.7917 -35.7917 -17.7347 -17.7347 -17.5605 -17.5605 -17.5510 -17.5510 -16.8606 -16.8606 -15.4759 -15.4759 -15.4147 -15.4147 -6.1930 -6.1930 -5.5352 -5.5352 2.6571 2.6571 3.1069 3.1069 3.6321 3.6321 4.0673 4.0673 4.9711 4.9711 5.6954 5.6954 9.0295 9.0295 9.1165 9.1165 9.5383 9.5383 10.3430 10.3430 k = 0.1360-0.2126-0.4135 ( 6350 PWs) bands (ev): -45.6979 -45.6979 -35.7913 -35.7913 -17.7349 -17.7349 -17.5608 -17.5608 -17.5510 -17.5510 -16.8626 -16.8626 -15.4783 -15.4783 -15.4178 -15.4178 -6.1625 -6.1625 -5.5441 -5.5441 2.6986 2.6986 3.0935 3.0935 3.6197 3.6197 4.0002 4.0002 4.9203 4.9203 5.6750 5.6750 9.0393 9.0393 9.1535 9.1535 9.5766 9.5766 10.3422 10.3422 k = 0.1424-0.2227-0.4331 ( 6350 PWs) bands (ev): -45.6978 -45.6978 -35.7909 -35.7909 -17.7350 -17.7350 -17.5610 -17.5610 -17.5510 -17.5510 -16.8647 -16.8647 -15.4809 -15.4809 -15.4206 -15.4206 -6.1315 -6.1315 -5.5529 -5.5529 2.7398 2.7398 3.0816 3.0816 3.5979 3.5979 3.9461 3.9461 4.8704 4.8704 5.6498 5.6498 9.0467 9.0467 9.1909 9.1909 9.6172 9.6172 10.3309 10.3309 k = 0.1489-0.2328-0.4528 ( 6350 PWs) bands (ev): -45.6978 -45.6978 -35.7906 -35.7906 -17.7351 -17.7351 -17.5612 -17.5612 -17.5510 -17.5510 -16.8667 -16.8667 -15.4836 -15.4836 -15.4233 -15.4233 -6.1004 -6.1004 -5.5617 -5.5617 2.7799 2.7799 3.0710 3.0710 3.5665 3.5665 3.9057 3.9057 4.8214 4.8214 5.6200 5.6200 9.0519 9.0519 9.2286 9.2286 9.6590 9.6590 10.3123 10.3123 k = 0.1554-0.2429-0.4725 ( 6354 PWs) bands (ev): -45.6978 -45.6978 -35.7902 -35.7902 -17.7352 -17.7352 -17.5615 -17.5615 -17.5510 -17.5510 -16.8688 -16.8688 -15.4865 -15.4865 -15.4259 -15.4259 -6.0691 -6.0691 -5.5703 -5.5703 2.8180 2.8180 3.0616 3.0616 3.5282 3.5282 3.8775 3.8775 4.7737 4.7737 5.5860 5.5860 9.0556 9.0556 9.2665 9.2665 9.7006 9.7006 10.2899 10.2899 k = 0.1618-0.2531-0.4922 ( 6358 PWs) bands (ev): -45.6978 -45.6978 -35.7899 -35.7899 -17.7354 -17.7354 -17.5617 -17.5617 -17.5510 -17.5510 -16.8709 -16.8709 -15.4894 -15.4894 -15.4282 -15.4282 -6.0379 -6.0379 -5.5787 -5.5787 2.8527 2.8527 3.0529 3.0529 3.4881 3.4881 3.8580 3.8580 4.7276 4.7276 5.5482 5.5482 9.0581 9.0581 9.3045 9.3045 9.7400 9.7400 10.2675 10.2675 k = 0.1683-0.2632-0.5119 ( 6352 PWs) bands (ev): -45.6978 -45.6978 -35.7895 -35.7895 -17.7355 -17.7355 -17.5619 -17.5619 -17.5510 -17.5510 -16.8729 -16.8729 -15.4925 -15.4925 -15.4305 -15.4305 -6.0069 -6.0069 -5.5869 -5.5869 2.8819 2.8819 3.0443 3.0443 3.4521 3.4521 3.8438 3.8438 4.6833 4.6833 5.5070 5.5070 9.0600 9.0600 9.3424 9.3424 9.7739 9.7739 10.2491 10.2491 k = 0.1748-0.2733-0.5316 ( 6350 PWs) bands (ev): -45.6978 -45.6978 -35.7891 -35.7891 -17.7356 -17.7356 -17.5621 -17.5621 -17.5510 -17.5510 -16.8750 -16.8750 -15.4956 -15.4956 -15.4326 -15.4326 -5.9762 -5.9762 -5.5947 -5.5947 2.9032 2.9032 3.0355 3.0355 3.4254 3.4254 3.8320 3.8320 4.6411 4.6411 5.4628 5.4628 9.0619 9.0619 9.3801 9.3801 9.7986 9.7986 10.2395 10.2395 k = 0.1813-0.2834-0.5513 ( 6350 PWs) bands (ev): -45.6978 -45.6978 -35.7888 -35.7888 -17.7357 -17.7357 -17.5624 -17.5624 -17.5510 -17.5510 -16.8770 -16.8770 -15.4986 -15.4986 -15.4346 -15.4346 -5.9461 -5.9461 -5.6022 -5.6022 2.9137 2.9137 3.0272 3.0272 3.4119 3.4119 3.8209 3.8209 4.6011 4.6011 5.4159 5.4159 9.0640 9.0640 9.4175 9.4175 9.8104 9.8104 10.2429 10.2429 k = 0.1877-0.2936-0.5710 ( 6352 PWs) bands (ev): -45.6978 -45.6978 -35.7884 -35.7884 -17.7359 -17.7359 -17.5626 -17.5626 -17.5510 -17.5510 -16.8790 -16.8790 -15.5016 -15.5016 -15.4365 -15.4365 -5.9165 -5.9165 -5.6093 -5.6093 2.9105 2.9105 3.0212 3.0212 3.4133 3.4133 3.8094 3.8094 4.5637 4.5637 5.3669 5.3669 9.0669 9.0669 9.4543 9.4543 9.8077 9.8077 10.2609 10.2609 k = 0.1942-0.3037-0.5907 ( 6352 PWs) bands (ev): -45.6978 -45.6978 -35.7881 -35.7881 -17.7360 -17.7360 -17.5628 -17.5628 -17.5510 -17.5510 -16.8809 -16.8809 -15.5046 -15.5046 -15.4384 -15.4384 -5.8877 -5.8877 -5.6159 -5.6159 2.8939 2.8939 3.0189 3.0189 3.4282 3.4282 3.7968 3.7968 4.5290 4.5290 5.3161 5.3161 9.0705 9.0705 9.4903 9.4903 9.7926 9.7926 10.2918 10.2918 k = 0.2007-0.3138-0.6103 ( 6354 PWs) bands (ev): -45.6978 -45.6978 -35.7878 -35.7878 -17.7361 -17.7361 -17.5630 -17.5630 -17.5510 -17.5510 -16.8827 -16.8827 -15.5074 -15.5074 -15.4402 -15.4402 -5.8598 -5.8598 -5.6221 -5.6221 2.8679 2.8679 3.0195 3.0195 3.4535 3.4535 3.7829 3.7829 4.4973 4.4973 5.2639 5.2639 9.0751 9.0751 9.5252 9.5252 9.7689 9.7689 10.3318 10.3318 k = 0.2072-0.3239-0.6300 ( 6360 PWs) bands (ev): -45.6978 -45.6978 -35.7875 -35.7875 -17.7362 -17.7362 -17.5632 -17.5632 -17.5510 -17.5510 -16.8845 -16.8845 -15.5102 -15.5102 -15.4420 -15.4420 -5.8330 -5.8330 -5.6277 -5.6277 2.8372 2.8372 3.0213 3.0213 3.4856 3.4856 3.7680 3.7680 4.4687 4.4687 5.2107 5.2107 9.0802 9.0802 9.5582 9.5582 9.7413 9.7413 10.3769 10.3769 k = 0.2136-0.3340-0.6497 ( 6354 PWs) bands (ev): -45.6978 -45.6978 -35.7872 -35.7872 -17.7363 -17.7363 -17.5634 -17.5634 -17.5510 -17.5510 -16.8862 -16.8862 -15.5127 -15.5127 -15.4438 -15.4438 -5.8074 -5.8074 -5.6328 -5.6328 2.8051 2.8051 3.0234 3.0234 3.5206 3.5206 3.7531 3.7531 4.4435 4.4435 5.1567 5.1567 9.0856 9.0856 9.5875 9.5875 9.7149 9.7149 10.4234 10.4234 k = 0.2201-0.3442-0.6694 ( 6354 PWs) bands (ev): -45.6977 -45.6977 -35.7869 -35.7869 -17.7364 -17.7364 -17.5635 -17.5635 -17.5510 -17.5510 -16.8879 -16.8879 -15.5151 -15.5151 -15.4455 -15.4455 -5.7830 -5.7830 -5.6373 -5.6373 2.7738 2.7738 3.0256 3.0256 3.5535 3.5535 3.7413 3.7413 4.4217 4.4217 5.1023 5.1023 9.0902 9.0902 9.6079 9.6079 9.6975 9.6975 10.4685 10.4685 k = 0.2266-0.3543-0.6891 ( 6360 PWs) bands (ev): -45.6977 -45.6977 -35.7866 -35.7866 -17.7366 -17.7366 -17.5637 -17.5637 -17.5511 -17.5511 -16.8894 -16.8894 -15.5173 -15.5173 -15.4473 -15.4473 -5.7602 -5.7602 -5.6411 -5.6411 2.7447 2.7447 3.0276 3.0276 3.5765 3.5765 3.7389 3.7389 4.4037 4.4037 5.0477 5.0477 9.0929 9.0929 9.6110 9.6110 9.7001 9.7001 10.5094 10.5094 k = 0.2331-0.3644-0.7088 ( 6360 PWs) bands (ev): -45.6977 -45.6977 -35.7863 -35.7863 -17.7366 -17.7366 -17.5639 -17.5639 -17.5511 -17.5511 -16.8908 -16.8908 -15.5193 -15.5193 -15.4490 -15.4490 -5.7389 -5.7389 -5.6442 -5.6442 2.7188 2.7188 3.0293 3.0293 3.5807 3.5807 3.7537 3.7537 4.3894 4.3894 4.9934 4.9934 9.0924 9.0924 9.6024 9.6024 9.7196 9.7196 10.5439 10.5439 k = 0.2395-0.3745-0.7285 ( 6364 PWs) bands (ev): -45.6977 -45.6977 -35.7861 -35.7861 -17.7367 -17.7367 -17.5640 -17.5640 -17.5511 -17.5511 -16.8922 -16.8922 -15.5210 -15.5210 -15.4508 -15.4508 -5.7194 -5.7194 -5.6464 -5.6464 2.6967 2.6967 3.0306 3.0306 3.5660 3.5660 3.7851 3.7851 4.3788 4.3788 4.9394 4.9394 9.0869 9.0869 9.5951 9.5951 9.7448 9.7448 10.5699 10.5699 k = 0.2460-0.3847-0.7482 ( 6366 PWs) bands (ev): -45.6977 -45.6977 -35.7859 -35.7859 -17.7368 -17.7368 -17.5642 -17.5642 -17.5511 -17.5511 -16.8935 -16.8935 -15.5226 -15.5226 -15.4525 -15.4525 -5.7019 -5.7019 -5.6477 -5.6477 2.6788 2.6788 3.0315 3.0315 3.5392 3.5392 3.8260 3.8260 4.3721 4.3721 4.8860 4.8860 9.0757 9.0757 9.5952 9.5952 9.7711 9.7711 10.5863 10.5863 k = 0.2525-0.3948-0.7679 ( 6372 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7369 -17.7369 -17.5643 -17.5643 -17.5511 -17.5511 -16.8946 -16.8946 -15.5239 -15.5239 -15.4542 -15.4542 -5.6869 -5.6869 -5.6475 -5.6475 2.6655 2.6655 3.0318 3.0318 3.5050 3.5050 3.8710 3.8710 4.3691 4.3691 4.8336 4.8336 9.0583 9.0583 9.6047 9.6047 9.7970 9.7970 10.5924 10.5924 k = 0.2590-0.4049-0.7875 ( 6378 PWs) bands (ev): -45.6977 -45.6977 -35.7855 -35.7855 -17.7370 -17.7370 -17.5644 -17.5644 -17.5511 -17.5511 -16.8957 -16.8957 -15.5250 -15.5250 -15.4560 -15.4560 -5.6751 -5.6751 -5.6454 -5.6454 2.6570 2.6570 3.0316 3.0316 3.4659 3.4659 3.9177 3.9177 4.3696 4.3696 4.7824 4.7824 9.0356 9.0356 9.6236 9.6236 9.8216 9.8216 10.5885 10.5885 k = 0.2654-0.4150-0.8072 ( 6384 PWs) bands (ev): -45.6977 -45.6977 -35.7853 -35.7853 -17.7371 -17.7371 -17.5646 -17.5646 -17.5512 -17.5512 -16.8966 -16.8966 -15.5259 -15.5259 -15.4576 -15.4576 -5.6673 -5.6673 -5.6404 -5.6404 2.6535 2.6535 3.0309 3.0309 3.4231 3.4231 3.9646 3.9646 4.3735 4.3735 4.7327 4.7327 9.0085 9.0085 9.6508 9.6508 9.8447 9.8447 10.5758 10.5758 k = 0.2719-0.4251-0.8269 ( 6382 PWs) bands (ev): -45.6977 -45.6977 -35.7851 -35.7851 -17.7371 -17.7371 -17.5647 -17.5647 -17.5512 -17.5512 -16.8974 -16.8974 -15.5266 -15.5266 -15.4593 -15.4593 -5.6627 -5.6627 -5.6333 -5.6333 2.6550 2.6550 3.0296 3.0296 3.3774 3.3774 4.0108 4.0108 4.3802 4.3802 4.6851 4.6851 8.9787 8.9787 9.6847 9.6847 9.8662 9.8662 10.5560 10.5560 k = 0.2784-0.4353-0.8466 ( 6382 PWs) bands (ev): -45.6977 -45.6977 -35.7850 -35.7850 -17.7372 -17.7372 -17.5647 -17.5647 -17.5512 -17.5512 -16.8982 -16.8982 -15.5271 -15.5271 -15.4609 -15.4609 -5.6597 -5.6597 -5.6259 -5.6259 2.6616 2.6616 3.0279 3.0279 3.3293 3.3293 4.0558 4.0558 4.3889 4.3889 4.6402 4.6402 8.9472 8.9472 9.7235 9.7235 9.8858 9.8858 10.5312 10.5312 k = 0.2848-0.4454-0.8663 ( 6384 PWs) bands (ev): -45.6977 -45.6977 -35.7849 -35.7849 -17.7372 -17.7372 -17.5648 -17.5648 -17.5512 -17.5512 -16.8988 -16.8988 -15.5274 -15.5274 -15.4625 -15.4625 -5.6572 -5.6572 -5.6193 -5.6193 2.6734 2.6734 3.0257 3.0257 3.2794 3.2794 4.0991 4.0991 4.3982 4.3982 4.5994 4.5994 8.9152 8.9152 9.7651 9.7651 9.9037 9.9037 10.5038 10.5038 k = 0.2913-0.4555-0.8860 ( 6382 PWs) bands (ev): -45.6977 -45.6977 -35.7848 -35.7848 -17.7373 -17.7373 -17.5649 -17.5649 -17.5512 -17.5512 -16.8994 -16.8994 -15.5276 -15.5276 -15.4639 -15.4639 -5.6547 -5.6547 -5.6140 -5.6140 2.6902 2.6902 3.0229 3.0229 3.2282 3.2282 4.1402 4.1402 4.4051 4.4051 4.5657 4.5657 8.8835 8.8835 9.8070 9.8070 9.9202 9.9202 10.4763 10.4763 k = 0.2978-0.4656-0.9057 ( 6382 PWs) bands (ev): -45.6977 -45.6977 -35.7847 -35.7847 -17.7373 -17.7373 -17.5649 -17.5649 -17.5512 -17.5512 -16.8998 -16.8998 -15.5276 -15.5276 -15.4653 -15.4653 -5.6519 -5.6519 -5.6100 -5.6100 2.7120 2.7120 3.0192 3.0192 3.1765 3.1765 4.1787 4.1787 4.4046 4.4046 4.5441 4.5441 8.8525 8.8525 9.8459 9.8459 9.9359 9.9359 10.4517 10.4517 k = 0.3043-0.4758-0.9254 ( 6388 PWs) bands (ev): -45.6977 -45.6977 -35.7846 -35.7846 -17.7373 -17.7373 -17.5650 -17.5650 -17.5513 -17.5513 -16.9002 -16.9002 -15.5275 -15.5275 -15.4665 -15.4665 -5.6489 -5.6489 -5.6076 -5.6076 2.7387 2.7387 3.0131 3.0131 3.1264 3.1264 4.2138 4.2138 4.3924 4.3924 4.5392 4.5392 8.8226 8.8226 9.8776 9.8776 9.9520 9.9520 10.4333 10.4333 k = 0.3107-0.4859-0.9450 ( 6380 PWs) bands (ev): -45.6977 -45.6977 -35.7845 -35.7845 -17.7373 -17.7373 -17.5650 -17.5650 -17.5513 -17.5513 -16.9004 -16.9004 -15.5274 -15.5274 -15.4675 -15.4675 -5.6458 -5.6458 -5.6064 -5.6064 2.7701 2.7701 3.0001 3.0001 3.0827 3.0827 4.2439 4.2439 4.3718 4.3718 4.5489 4.5489 8.7940 8.7940 9.8986 9.8986 9.9683 9.9683 10.4249 10.4249 k = 0.3172-0.4960-0.9647 ( 6390 PWs) bands (ev): -45.6977 -45.6977 -35.7845 -35.7845 -17.7374 -17.7374 -17.5650 -17.5650 -17.5513 -17.5513 -16.9006 -16.9006 -15.5272 -15.5272 -15.4683 -15.4683 -5.6427 -5.6427 -5.6064 -5.6064 2.8058 2.8058 2.9708 2.9708 3.0556 3.0556 4.2636 4.2636 4.3534 4.3534 4.5673 4.5673 8.7668 8.7668 9.9092 9.9092 9.9814 9.9814 10.4297 10.4297 k = 0.3237-0.5061-0.9844 ( 6392 PWs) bands (ev): -45.6977 -45.6977 -35.7845 -35.7845 -17.7374 -17.7374 -17.5651 -17.5651 -17.5513 -17.5513 -16.9008 -16.9008 -15.5271 -15.5271 -15.4689 -15.4689 -5.6399 -5.6399 -5.6071 -5.6071 2.8451 2.8451 2.9257 2.9257 3.0455 3.0455 4.2625 4.2625 4.3516 4.3516 4.5905 4.5905 8.7407 8.7407 9.9120 9.9120 9.9873 9.9873 10.4492 10.4492 k = 0.3302-0.5163-1.0041 ( 6388 PWs) bands (ev): -45.6977 -45.6977 -35.7845 -35.7845 -17.7374 -17.7374 -17.5651 -17.5651 -17.5513 -17.5513 -16.9008 -16.9008 -15.5270 -15.5270 -15.4692 -15.4692 -5.6380 -5.6380 -5.6079 -5.6079 2.8684 2.8684 2.8927 2.8927 3.0443 3.0443 4.2422 4.2422 4.3664 4.3664 4.6162 4.6162 8.7157 8.7157 9.9092 9.9092 9.9852 9.9852 10.4819 10.4819 k = 0.3366-0.5264-1.0238 ( 6388 PWs) bands (ev): -45.6977 -45.6977 -35.7845 -35.7845 -17.7374 -17.7374 -17.5651 -17.5651 -17.5513 -17.5513 -16.9008 -16.9008 -15.5270 -15.5270 -15.4692 -15.4692 -5.6380 -5.6380 -5.6079 -5.6079 2.8168 2.8168 2.9332 2.9332 3.0497 3.0497 4.2151 4.2151 4.3862 4.3862 4.6432 4.6432 8.6913 8.6913 9.9021 9.9021 9.9768 9.9768 10.5247 10.5247 k = 0.3431-0.5365-1.0435 ( 6390 PWs) bands (ev): -45.6977 -45.6977 -35.7845 -35.7845 -17.7374 -17.7374 -17.5651 -17.5651 -17.5513 -17.5513 -16.9007 -16.9007 -15.5271 -15.5271 -15.4689 -15.4689 -5.6406 -5.6406 -5.6061 -5.6061 2.7616 2.7616 2.9720 2.9720 3.0654 3.0654 4.1867 4.1867 4.4061 4.4061 4.6708 4.6708 8.6673 8.6673 9.8915 9.8915 9.9646 9.9646 10.5737 10.5737 k = 0.6569-0.3903-0.9543 ( 6390 PWs) bands (ev): -45.6977 -45.6977 -35.7845 -35.7845 -17.7374 -17.7374 -17.5651 -17.5651 -17.5513 -17.5513 -16.9007 -16.9007 -15.5271 -15.5271 -15.4689 -15.4689 -5.6406 -5.6406 -5.6061 -5.6061 2.7616 2.7616 2.9720 2.9720 3.0654 3.0654 4.1867 4.1867 4.4061 4.4061 4.6708 4.6708 8.6673 8.6673 9.8915 9.8915 9.9646 9.9646 10.5737 10.5737 k = 0.6503-0.3679-0.9543 ( 6398 PWs) bands (ev): -45.6977 -45.6977 -35.7845 -35.7845 -17.7374 -17.7374 -17.5651 -17.5651 -17.5513 -17.5513 -16.9006 -16.9006 -15.5274 -15.5274 -15.4682 -15.4682 -5.6458 -5.6458 -5.6026 -5.6026 2.7058 2.7058 2.9985 2.9985 3.0994 3.0994 4.1586 4.1586 4.4248 4.4248 4.6985 4.6985 8.6430 8.6430 9.8785 9.8785 9.9508 9.9508 10.6262 10.6262 k = 0.6438-0.3456-0.9543 ( 6394 PWs) bands (ev): -45.6977 -45.6977 -35.7845 -35.7845 -17.7374 -17.7374 -17.5651 -17.5651 -17.5513 -17.5513 -16.9005 -16.9005 -15.5278 -15.5278 -15.4672 -15.4672 -5.6529 -5.6529 -5.5980 -5.5980 2.6505 2.6505 3.0127 3.0127 3.1504 3.1504 4.1318 4.1318 4.4415 4.4415 4.7257 4.7257 8.6182 8.6182 9.8638 9.8638 9.9368 9.9368 10.6789 10.6789 k = 0.6373-0.3232-0.9543 ( 6394 PWs) bands (ev): -45.6977 -45.6977 -35.7846 -35.7846 -17.7374 -17.7374 -17.5650 -17.5650 -17.5513 -17.5513 -16.9003 -16.9003 -15.5284 -15.5284 -15.4658 -15.4658 -5.6613 -5.6613 -5.5926 -5.5926 2.5961 2.5961 3.0215 3.0215 3.2112 3.2112 4.1067 4.1067 4.4562 4.4562 4.7519 4.7519 8.5925 8.5925 9.8481 9.8481 9.9238 9.9238 10.7295 10.7295 k = 0.6307-0.3009-0.9543 ( 6392 PWs) bands (ev): -45.6977 -45.6977 -35.7846 -35.7846 -17.7374 -17.7374 -17.5650 -17.5650 -17.5513 -17.5513 -16.9001 -16.9001 -15.5292 -15.5292 -15.4642 -15.4642 -5.6709 -5.6709 -5.5867 -5.5867 2.5428 2.5428 3.0285 3.0285 3.2776 3.2776 4.0836 4.0836 4.4687 4.4687 4.7766 4.7766 8.5655 8.5655 9.8320 9.8320 9.9128 9.9128 10.7757 10.7757 k = 0.6242-0.2785-0.9543 ( 6386 PWs) bands (ev): -45.6977 -45.6977 -35.7847 -35.7847 -17.7373 -17.7373 -17.5650 -17.5650 -17.5513 -17.5513 -16.8998 -16.8998 -15.5301 -15.5301 -15.4623 -15.4623 -5.6812 -5.6812 -5.5806 -5.5806 2.4909 2.4909 3.0350 3.0350 3.3478 3.3478 4.0627 4.0627 4.4793 4.4793 4.7997 4.7997 8.5369 8.5369 9.8158 9.8158 9.9044 9.9044 10.8157 10.8157 k = 0.6177-0.2562-0.9543 ( 6382 PWs) bands (ev): -45.6977 -45.6977 -35.7848 -35.7848 -17.7373 -17.7373 -17.5649 -17.5649 -17.5512 -17.5512 -16.8996 -16.8996 -15.5311 -15.5311 -15.4601 -15.4601 -5.6921 -5.6921 -5.5743 -5.5743 2.4405 2.4405 3.0415 3.0415 3.4208 3.4208 4.0441 4.0441 4.4881 4.4881 4.8207 4.8207 8.5066 8.5066 9.8000 9.8000 9.8985 9.8985 10.8480 10.8480 k = 0.6111-0.2338-0.9543 ( 6388 PWs) bands (ev): -45.6977 -45.6977 -35.7848 -35.7848 -17.7373 -17.7373 -17.5649 -17.5649 -17.5512 -17.5512 -16.8993 -16.8993 -15.5322 -15.5322 -15.4578 -15.4578 -5.7034 -5.7034 -5.5680 -5.5680 2.3919 2.3919 3.0482 3.0482 3.4958 3.4958 4.0280 4.0280 4.4951 4.4951 4.8396 4.8396 8.4744 8.4744 9.7855 9.7855 9.8949 9.8949 10.8715 10.8715 k = 0.6046-0.2115-0.9543 ( 6384 PWs) bands (ev): -45.6977 -45.6977 -35.7849 -35.7849 -17.7373 -17.7373 -17.5649 -17.5649 -17.5512 -17.5512 -16.8991 -16.8991 -15.5333 -15.5333 -15.4553 -15.4553 -5.7149 -5.7149 -5.5616 -5.5616 2.3453 2.3453 3.0551 3.0551 3.5720 3.5720 4.0146 4.0146 4.5007 4.5007 4.8560 4.8560 8.4402 8.4402 9.7730 9.7730 9.8928 9.8928 10.8859 10.8859 k = 0.5981-0.1891-0.9543 ( 6382 PWs) bands (ev): -45.6977 -45.6977 -35.7850 -35.7850 -17.7372 -17.7372 -17.5649 -17.5649 -17.5512 -17.5512 -16.8988 -16.8988 -15.5345 -15.5345 -15.4527 -15.4527 -5.7265 -5.7265 -5.5553 -5.5553 2.3007 2.3007 3.0622 3.0622 3.6485 3.6485 4.0042 4.0042 4.5049 4.5049 4.8699 4.8699 8.4043 8.4043 9.7631 9.7631 9.8912 9.8912 10.8916 10.8916 k = 0.5915-0.1667-0.9543 ( 6386 PWs) bands (ev): -45.6977 -45.6977 -35.7851 -35.7851 -17.7372 -17.7372 -17.5648 -17.5648 -17.5512 -17.5512 -16.8985 -16.8985 -15.5357 -15.5357 -15.4500 -15.4500 -5.7380 -5.7380 -5.5492 -5.5492 2.2584 2.2584 3.0693 3.0693 3.7240 3.7240 3.9974 3.9974 4.5080 4.5080 4.8812 4.8812 8.3666 8.3666 9.7567 9.7567 9.8891 9.8891 10.8903 10.8903 k = 0.5850-0.1444-0.9543 ( 6380 PWs) bands (ev): -45.6977 -45.6977 -35.7851 -35.7851 -17.7372 -17.7372 -17.5648 -17.5648 -17.5511 -17.5511 -16.8982 -16.8982 -15.5370 -15.5370 -15.4474 -15.4474 -5.7494 -5.7494 -5.5433 -5.5433 2.2185 2.2185 3.0765 3.0765 3.7961 3.7961 3.9959 3.9959 4.5103 4.5103 4.8900 4.8900 8.3275 8.3275 9.7543 9.7543 9.8855 9.8855 10.8837 10.8837 k = 0.5784-0.1220-0.9543 ( 6378 PWs) bands (ev): -45.6977 -45.6977 -35.7852 -35.7852 -17.7371 -17.7371 -17.5648 -17.5648 -17.5511 -17.5511 -16.8980 -16.8980 -15.5382 -15.5382 -15.4447 -15.4447 -5.7604 -5.7604 -5.5376 -5.5376 2.1810 2.1810 3.0835 3.0835 3.8600 3.8600 4.0038 4.0038 4.5119 4.5119 4.8963 4.8963 8.2872 8.2872 9.7562 9.7562 9.8796 9.8796 10.8734 10.8734 k = 0.5719-0.0997-0.9543 ( 6380 PWs) bands (ev): -45.6977 -45.6977 -35.7853 -35.7853 -17.7371 -17.7371 -17.5647 -17.5647 -17.5511 -17.5511 -16.8977 -16.8977 -15.5393 -15.5393 -15.4422 -15.4422 -5.7710 -5.7710 -5.5321 -5.5321 2.1462 2.1462 3.0902 3.0902 3.9058 3.9058 4.0298 4.0298 4.5131 4.5131 4.9005 4.9005 8.2461 8.2461 9.7626 9.7626 9.8708 9.8708 10.8544 10.8544 k = 0.5654-0.0773-0.9543 ( 6376 PWs) bands (ev): -45.6977 -45.6977 -35.7853 -35.7853 -17.7371 -17.7371 -17.5647 -17.5647 -17.5511 -17.5511 -16.8975 -16.8975 -15.5404 -15.5404 -15.4397 -15.4397 -5.7811 -5.7811 -5.5270 -5.5270 2.1140 2.1140 3.0966 3.0966 3.9290 3.9290 4.0775 4.0775 4.5142 4.5142 4.9027 4.9027 8.2047 8.2047 9.7735 9.7735 9.8595 9.8595 10.8041 10.8041 k = 0.5588-0.0550-0.9543 ( 6388 PWs) bands (ev): -45.6977 -45.6977 -35.7854 -35.7854 -17.7371 -17.7371 -17.5647 -17.5647 -17.5511 -17.5511 -16.8973 -16.8973 -15.5415 -15.5415 -15.4374 -15.4374 -5.7905 -5.7905 -5.5223 -5.5223 2.0847 2.0847 3.1026 3.1026 3.9397 3.9397 4.1355 4.1355 4.5154 4.5154 4.9033 4.9033 8.1635 8.1635 9.7874 9.7874 9.8473 9.8473 10.7420 10.7420 k = 0.5523-0.0326-0.9543 ( 6386 PWs) bands (ev): -45.6977 -45.6977 -35.7855 -35.7855 -17.7371 -17.7371 -17.5647 -17.5647 -17.5511 -17.5511 -16.8971 -16.8971 -15.5424 -15.5424 -15.4352 -15.4352 -5.7991 -5.7991 -5.5180 -5.5180 2.0582 2.0582 3.1081 3.1081 3.9462 3.9462 4.1941 4.1941 4.5170 4.5170 4.9028 4.9028 8.1233 8.1233 9.7982 9.7982 9.8411 9.8411 10.6775 10.6775 k = 0.5458-0.0103-0.9543 ( 6382 PWs) bands (ev): -45.6977 -45.6977 -35.7855 -35.7855 -17.7371 -17.7371 -17.5646 -17.5646 -17.5510 -17.5510 -16.8969 -16.8969 -15.5433 -15.5433 -15.4332 -15.4332 -5.8070 -5.8070 -5.5141 -5.5141 2.0347 2.0347 3.1130 3.1130 3.9514 3.9514 4.2488 4.2488 4.5193 4.5193 4.9016 4.9016 8.0848 8.0848 9.7925 9.7925 9.8549 9.8549 10.6121 10.6121 k = 0.5392 0.0121-0.9543 ( 6374 PWs) bands (ev): -45.6977 -45.6977 -35.7856 -35.7856 -17.7370 -17.7370 -17.5646 -17.5646 -17.5510 -17.5510 -16.8967 -16.8967 -15.5441 -15.5441 -15.4314 -15.4314 -5.8140 -5.8140 -5.5106 -5.5106 2.0141 2.0141 3.1173 3.1173 3.9561 3.9561 4.2972 4.2972 4.5227 4.5227 4.9003 4.9003 8.0488 8.0488 9.7771 9.7771 9.8833 9.8833 10.5463 10.5463 k = 0.5327 0.0344-0.9543 ( 6374 PWs) bands (ev): -45.6977 -45.6977 -35.7856 -35.7856 -17.7370 -17.7370 -17.5646 -17.5646 -17.5510 -17.5510 -16.8966 -16.8966 -15.5447 -15.5447 -15.4299 -15.4299 -5.8200 -5.8200 -5.5077 -5.5077 1.9967 1.9967 3.1210 3.1210 3.9606 3.9606 4.3377 4.3377 4.5276 4.5276 4.8991 4.8991 8.0162 8.0162 9.7600 9.7600 9.9186 9.9186 10.4809 10.4809 k = 0.5261 0.0568-0.9543 ( 6374 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7370 -17.7370 -17.5646 -17.5646 -17.5510 -17.5510 -16.8965 -16.8965 -15.5453 -15.5453 -15.4286 -15.4286 -5.8250 -5.8250 -5.5052 -5.5052 1.9823 1.9823 3.1240 3.1240 3.9648 3.9648 4.3692 4.3692 4.5338 4.5338 4.8983 4.8983 7.9879 7.9879 9.7441 9.7441 9.9591 9.9591 10.4162 10.4162 k = 0.5196 0.0792-0.9543 ( 6374 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7370 -17.7370 -17.5646 -17.5646 -17.5510 -17.5510 -16.8964 -16.8964 -15.5457 -15.5457 -15.4276 -15.4276 -5.8289 -5.8289 -5.5033 -5.5033 1.9711 1.9711 3.1263 3.1263 3.9684 3.9684 4.3919 4.3919 4.5407 4.5407 4.8981 4.8981 7.9649 7.9649 9.7306 9.7306 10.0035 10.0035 10.3529 10.3529 k = 0.5131 0.1015-0.9543 ( 6378 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7370 -17.7370 -17.5646 -17.5646 -17.5510 -17.5510 -16.8963 -16.8963 -15.5460 -15.5460 -15.4269 -15.4269 -5.8317 -5.8317 -5.5019 -5.5019 1.9631 1.9631 3.1280 3.1280 3.9711 3.9711 4.4066 4.4066 4.5472 4.5472 4.8983 4.8983 7.9478 7.9478 9.7204 9.7204 10.0510 10.0510 10.2921 10.2921 k = 0.5065 0.1239-0.9543 ( 6376 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7370 -17.7370 -17.5646 -17.5646 -17.5510 -17.5510 -16.8963 -16.8963 -15.5462 -15.5462 -15.4264 -15.4264 -5.8334 -5.8334 -5.5011 -5.5011 1.9583 1.9583 3.1290 3.1290 3.9729 3.9729 4.4147 4.4147 4.5517 4.5517 4.8985 4.8985 7.9372 7.9372 9.7141 9.7141 10.0985 10.0985 10.2365 10.2365 k = 0.5000 0.1462-0.9543 ( 6376 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7370 -17.7370 -17.5645 -17.5645 -17.5510 -17.5510 -16.8963 -16.8963 -15.5463 -15.5463 -15.4263 -15.4263 -5.8340 -5.8340 -5.5008 -5.5008 1.9567 1.9567 3.1293 3.1293 3.9735 3.9735 4.4172 4.4172 4.5534 4.5534 4.8987 4.8987 7.9337 7.9337 9.7120 9.7120 10.1279 10.1279 10.2045 10.2045 k = 0.5000 0.1462-0.9543 ( 6376 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7370 -17.7370 -17.5645 -17.5645 -17.5510 -17.5510 -16.8963 -16.8963 -15.5463 -15.5463 -15.4263 -15.4263 -5.8340 -5.8340 -5.5008 -5.5008 1.9567 1.9567 3.1293 3.1293 3.9735 3.9735 4.4172 4.4172 4.5534 4.5534 4.8987 4.8987 7.9337 7.9337 9.7120 9.7120 10.1279 10.1279 10.2045 10.2045 k = 0.5196 0.1519-0.9431 ( 6372 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7370 -17.7370 -17.5645 -17.5645 -17.5510 -17.5510 -16.8963 -16.8963 -15.5463 -15.5463 -15.4263 -15.4263 -5.8341 -5.8341 -5.5008 -5.5008 1.9575 1.9575 3.1294 3.1294 3.9732 3.9732 4.4158 4.4158 4.5535 4.5535 4.8980 4.8980 7.9351 7.9351 9.7120 9.7120 10.1304 10.1304 10.2044 10.2044 k = 0.5392 0.1577-0.9320 ( 6380 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7370 -17.7370 -17.5646 -17.5646 -17.5510 -17.5510 -16.8962 -16.8962 -15.5462 -15.5462 -15.4263 -15.4263 -5.8343 -5.8343 -5.5009 -5.5009 1.9599 1.9599 3.1298 3.1298 3.9725 3.9725 4.4115 4.4115 4.5538 4.5538 4.8959 4.8959 7.9395 7.9395 9.7123 9.7123 10.1377 10.1377 10.2041 10.2041 k = 0.5588 0.1634-0.9208 ( 6378 PWs) bands (ev): -45.6977 -45.6977 -35.7858 -35.7858 -17.7370 -17.7370 -17.5646 -17.5646 -17.5510 -17.5510 -16.8962 -16.8962 -15.5461 -15.5461 -15.4263 -15.4263 -5.8347 -5.8347 -5.5010 -5.5010 1.9638 1.9638 3.1305 3.1305 3.9714 3.9714 4.4043 4.4043 4.5542 4.5542 4.8926 4.8926 7.9467 7.9467 9.7130 9.7130 10.1496 10.1496 10.2037 10.2037 k = 0.5784 0.1692-0.9096 ( 6377 PWs) bands (ev): -45.6977 -45.6977 -35.7858 -35.7858 -17.7370 -17.7370 -17.5646 -17.5646 -17.5509 -17.5509 -16.8962 -16.8962 -15.5460 -15.5460 -15.4263 -15.4263 -5.8352 -5.8352 -5.5011 -5.5011 1.9693 1.9693 3.1314 3.1314 3.9698 3.9698 4.3944 4.3944 4.5547 4.5547 4.8881 4.8881 7.9567 7.9567 9.7142 9.7142 10.1654 10.1654 10.2033 10.2033 k = 0.5981 0.1749-0.8985 ( 6375 PWs) bands (ev): -45.6977 -45.6977 -35.7858 -35.7858 -17.7370 -17.7370 -17.5645 -17.5645 -17.5509 -17.5509 -16.8961 -16.8961 -15.5459 -15.5459 -15.4263 -15.4263 -5.8359 -5.8359 -5.5013 -5.5013 1.9762 1.9762 3.1326 3.1326 3.9677 3.9677 4.3818 4.3818 4.5554 4.5554 4.8826 4.8826 7.9693 7.9693 9.7164 9.7164 10.1841 10.1841 10.2035 10.2035 k = 0.6177 0.1806-0.8873 ( 6381 PWs) bands (ev): -45.6977 -45.6977 -35.7858 -35.7858 -17.7370 -17.7370 -17.5645 -17.5645 -17.5510 -17.5510 -16.8960 -16.8960 -15.5457 -15.5457 -15.4263 -15.4263 -5.8367 -5.8367 -5.5016 -5.5016 1.9847 1.9847 3.1341 3.1341 3.9652 3.9652 4.3668 4.3668 4.5561 4.5561 4.8762 4.8762 7.9844 7.9844 9.7196 9.7196 10.1970 10.1970 10.2124 10.2124 k = 0.6373 0.1864-0.8762 ( 6386 PWs) bands (ev): -45.6977 -45.6977 -35.7858 -35.7858 -17.7370 -17.7370 -17.5645 -17.5645 -17.5510 -17.5510 -16.8959 -16.8959 -15.5454 -15.5454 -15.4263 -15.4263 -5.8376 -5.8376 -5.5019 -5.5019 1.9945 1.9945 3.1359 3.1359 3.9623 3.9623 4.3493 4.3493 4.5568 4.5568 4.8693 4.8693 8.0019 8.0019 9.7241 9.7241 10.1976 10.1976 10.2360 10.2360 k = 0.6569 0.1921-0.8650 ( 6387 PWs) bands (ev): -45.6977 -45.6977 -35.7858 -35.7858 -17.7370 -17.7370 -17.5645 -17.5645 -17.5510 -17.5510 -16.8958 -16.8958 -15.5452 -15.5452 -15.4263 -15.4263 -5.8386 -5.8386 -5.5024 -5.5024 2.0057 2.0057 3.1380 3.1380 3.9589 3.9589 4.3295 4.3295 4.5575 4.5575 4.8619 4.8619 8.0215 8.0215 9.7301 9.7301 10.1963 10.1963 10.2633 10.2633 k = 0.6569 0.1921-0.8650 ( 6387 PWs) bands (ev): -45.6977 -45.6977 -35.7858 -35.7858 -17.7370 -17.7370 -17.5645 -17.5645 -17.5510 -17.5510 -16.8958 -16.8958 -15.5452 -15.5452 -15.4263 -15.4263 -5.8386 -5.8386 -5.5024 -5.5024 2.0057 2.0057 3.1380 3.1380 3.9589 3.9589 4.3295 4.3295 4.5575 4.5575 4.8619 4.8619 8.0215 8.0215 9.7301 9.7301 10.1963 10.1963 10.2633 10.2633 k = 0.6532 0.1910-0.8423 ( 6377 PWs) bands (ev): -45.6977 -45.6977 -35.7859 -35.7859 -17.7369 -17.7369 -17.5644 -17.5644 -17.5509 -17.5509 -16.8953 -16.8953 -15.5442 -15.5442 -15.4263 -15.4263 -5.8393 -5.8393 -5.5073 -5.5073 2.0178 2.0178 3.1248 3.1248 3.9583 3.9583 4.3284 4.3284 4.5655 4.5655 4.8796 4.8796 8.0113 8.0113 9.7298 9.7298 10.1898 10.1898 10.2344 10.2344 k = 0.6494 0.1899-0.8196 ( 6377 PWs) bands (ev): -45.6977 -45.6977 -35.7860 -35.7860 -17.7369 -17.7369 -17.5644 -17.5644 -17.5509 -17.5509 -16.8946 -16.8946 -15.5428 -15.5428 -15.4263 -15.4263 -5.8402 -5.8402 -5.5139 -5.5139 2.0347 2.0347 3.1104 3.1104 3.9567 3.9567 4.3221 4.3221 4.5758 4.5758 4.9018 4.9018 8.0026 8.0026 9.7324 9.7324 10.1793 10.1793 10.2053 10.2053 k = 0.6457 0.1888-0.7969 ( 6375 PWs) bands (ev): -45.6977 -45.6977 -35.7861 -35.7861 -17.7368 -17.7368 -17.5643 -17.5643 -17.5509 -17.5509 -16.8938 -16.8938 -15.5412 -15.5412 -15.4263 -15.4263 -5.8414 -5.8414 -5.5220 -5.5220 2.0561 2.0561 3.0953 3.0953 3.9541 3.9541 4.3115 4.3115 4.5877 4.5877 4.9280 4.9280 7.9955 7.9955 9.7368 9.7368 10.1613 10.1613 10.1819 10.1819 k = 0.6419 0.1877-0.7741 ( 6369 PWs) bands (ev): -45.6977 -45.6977 -35.7863 -35.7863 -17.7367 -17.7367 -17.5642 -17.5642 -17.5509 -17.5509 -16.8929 -16.8929 -15.5392 -15.5392 -15.4263 -15.4263 -5.8430 -5.8430 -5.5313 -5.5313 2.0816 2.0816 3.0800 3.0800 3.9503 3.9503 4.2975 4.2975 4.6005 4.6005 4.9576 4.9576 7.9899 7.9899 9.7414 9.7414 10.1372 10.1372 10.1649 10.1649 k = 0.6382 0.1866-0.7514 ( 6374 PWs) bands (ev): -45.6977 -45.6977 -35.7865 -35.7865 -17.7367 -17.7367 -17.5641 -17.5641 -17.5509 -17.5509 -16.8918 -16.8918 -15.5370 -15.5370 -15.4263 -15.4263 -5.8453 -5.8453 -5.5415 -5.5415 2.1112 2.1112 3.0651 3.0651 3.9453 3.9453 4.2806 4.2806 4.6140 4.6140 4.9901 4.9901 7.9860 7.9860 9.7443 9.7443 10.1147 10.1147 10.1488 10.1488 k = 0.6345 0.1855-0.7287 ( 6363 PWs) bands (ev): -45.6977 -45.6977 -35.7867 -35.7867 -17.7366 -17.7366 -17.5639 -17.5639 -17.5509 -17.5509 -16.8906 -16.8906 -15.5345 -15.5345 -15.4263 -15.4263 -5.8484 -5.8484 -5.5524 -5.5524 2.1442 2.1442 3.0510 3.0510 3.9391 3.9391 4.2615 4.2615 4.6283 4.6283 5.0245 5.0245 7.9837 7.9837 9.7435 9.7435 10.0971 10.0971 10.1318 10.1318 k = 0.6307 0.1844-0.7060 ( 6361 PWs) bands (ev): -45.6977 -45.6977 -35.7869 -35.7869 -17.7365 -17.7365 -17.5638 -17.5638 -17.5509 -17.5509 -16.8892 -16.8892 -15.5317 -15.5317 -15.4262 -15.4262 -5.8528 -5.8528 -5.5636 -5.5636 2.1804 2.1804 3.0383 3.0383 3.9316 3.9316 4.2407 4.2407 4.6436 4.6436 5.0601 5.0601 7.9831 7.9831 9.7376 9.7376 10.0845 10.0845 10.1150 10.1150 k = 0.6270 0.1834-0.6833 ( 6359 PWs) bands (ev): -45.6978 -45.6978 -35.7871 -35.7871 -17.7364 -17.7364 -17.5636 -17.5636 -17.5509 -17.5509 -16.8878 -16.8878 -15.5287 -15.5287 -15.4261 -15.4261 -5.8586 -5.8586 -5.5745 -5.5745 2.2192 2.2192 3.0275 3.0275 3.9229 3.9229 4.2185 4.2185 4.6599 4.6599 5.0960 5.0960 7.9844 7.9844 9.7259 9.7259 10.0723 10.0723 10.1030 10.1030 k = 0.6233 0.1823-0.6605 ( 6361 PWs) bands (ev): -45.6978 -45.6978 -35.7874 -35.7874 -17.7363 -17.7363 -17.5634 -17.5634 -17.5509 -17.5509 -16.8862 -16.8862 -15.5254 -15.5254 -15.4259 -15.4259 -5.8664 -5.8664 -5.5848 -5.5848 2.2600 2.2600 3.0190 3.0190 3.9130 3.9130 4.1955 4.1955 4.6776 4.6776 5.1314 5.1314 7.9877 7.9877 9.7091 9.7091 10.0537 10.0537 10.1010 10.1010 k = 0.6195 0.1812-0.6378 ( 6362 PWs) bands (ev): -45.6978 -45.6978 -35.7876 -35.7876 -17.7362 -17.7362 -17.5633 -17.5633 -17.5509 -17.5509 -16.8845 -16.8845 -15.5220 -15.5220 -15.4257 -15.4257 -5.8762 -5.8762 -5.5940 -5.5940 2.3021 2.3021 3.0132 3.0132 3.9021 3.9021 4.1723 4.1723 4.6967 4.6967 5.1656 5.1656 7.9931 7.9931 9.6884 9.6884 10.0298 10.0298 10.1061 10.1061 k = 0.6158 0.1801-0.6151 ( 6354 PWs) bands (ev): -45.6978 -45.6978 -35.7879 -35.7879 -17.7361 -17.7361 -17.5631 -17.5631 -17.5509 -17.5509 -16.8828 -16.8828 -15.5184 -15.5184 -15.4255 -15.4255 -5.8885 -5.8885 -5.6018 -5.6018 2.3448 2.3448 3.0107 3.0107 3.8902 3.8902 4.1494 4.1494 4.7173 4.7173 5.1976 5.1976 8.0009 8.0009 9.6652 9.6652 10.0026 10.0026 10.1142 10.1142 k = 0.6121 0.1790-0.5924 ( 6366 PWs) bands (ev): -45.6978 -45.6978 -35.7882 -35.7882 -17.7360 -17.7360 -17.5629 -17.5629 -17.5509 -17.5509 -16.8810 -16.8810 -15.5146 -15.5146 -15.4251 -15.4251 -5.9033 -5.9033 -5.6079 -5.6079 2.3874 2.3874 3.0115 3.0115 3.8777 3.8777 4.1275 4.1275 4.7396 4.7396 5.2267 5.2267 8.0111 8.0111 9.6410 9.6410 9.9728 9.9728 10.1227 10.1227 k = 0.6083 0.1779-0.5697 ( 6362 PWs) bands (ev): -45.6978 -45.6978 -35.7885 -35.7885 -17.7359 -17.7359 -17.5627 -17.5627 -17.5509 -17.5509 -16.8791 -16.8791 -15.5108 -15.5108 -15.4246 -15.4246 -5.9206 -5.9206 -5.6122 -5.6122 2.4290 2.4290 3.0158 3.0158 3.8648 3.8648 4.1075 4.1075 4.7636 4.7636 5.2522 5.2522 8.0240 8.0240 9.6171 9.6171 9.9408 9.9408 10.1301 10.1301 k = 0.6046 0.1768-0.5469 ( 6354 PWs) bands (ev): -45.6978 -45.6978 -35.7889 -35.7889 -17.7357 -17.7357 -17.5624 -17.5624 -17.5509 -17.5509 -16.8771 -16.8771 -15.5069 -15.5069 -15.4240 -15.4240 -5.9403 -5.9403 -5.6147 -5.6147 2.4690 2.4690 3.0235 3.0235 3.8517 3.8517 4.0902 4.0902 4.7892 4.7892 5.2734 5.2734 8.0397 8.0397 9.5944 9.5944 9.9065 9.9065 10.1354 10.1354 k = 0.6009 0.1757-0.5242 ( 6356 PWs) bands (ev): -45.6978 -45.6978 -35.7892 -35.7892 -17.7356 -17.7356 -17.5622 -17.5622 -17.5509 -17.5509 -16.8751 -16.8751 -15.5029 -15.5029 -15.4233 -15.4233 -5.9622 -5.9622 -5.6156 -5.6156 2.5069 2.5069 3.0341 3.0341 3.8388 3.8388 4.0768 4.0768 4.8164 4.8164 5.2897 5.2897 8.0584 8.0584 9.5739 9.5739 9.8700 9.8700 10.1381 10.1381 k = 0.5971 0.1746-0.5015 ( 6358 PWs) bands (ev): -45.6978 -45.6978 -35.7895 -35.7895 -17.7355 -17.7355 -17.5620 -17.5620 -17.5509 -17.5509 -16.8731 -16.8731 -15.4990 -15.4990 -15.4224 -15.4224 -5.9858 -5.9858 -5.6150 -5.6150 2.5423 2.5423 3.0465 3.0465 3.8260 3.8260 4.0688 4.0688 4.8451 4.8451 5.3006 5.3006 8.0800 8.0800 9.5564 9.5564 9.8312 9.8312 10.1379 10.1379 k = 0.5934 0.1735-0.4788 ( 6357 PWs) bands (ev): -45.6978 -45.6978 -35.7899 -35.7899 -17.7354 -17.7354 -17.5618 -17.5618 -17.5509 -17.5509 -16.8710 -16.8710 -15.4951 -15.4951 -15.4213 -15.4213 -6.0110 -6.0110 -5.6131 -5.6131 2.5753 2.5753 3.0595 3.0595 3.8134 3.8134 4.0676 4.0676 4.8751 4.8751 5.3058 5.3058 8.1046 8.1046 9.5427 9.5427 9.7902 9.7902 10.1349 10.1349 k = 0.5896 0.1724-0.4561 ( 6357 PWs) bands (ev): -45.6978 -45.6978 -35.7903 -35.7903 -17.7352 -17.7352 -17.5615 -17.5615 -17.5509 -17.5509 -16.8689 -16.8689 -15.4913 -15.4913 -15.4200 -15.4200 -6.0373 -6.0373 -5.6101 -5.6101 2.6063 2.6063 3.0716 3.0716 3.8005 3.8005 4.0751 4.0751 4.9062 4.9062 5.3051 5.3051 8.1319 8.1319 9.5334 9.5334 9.7469 9.7469 10.1289 10.1289 k = 0.5859 0.1713-0.4333 ( 6363 PWs) bands (ev): -45.6978 -45.6978 -35.7906 -35.7906 -17.7351 -17.7351 -17.5613 -17.5613 -17.5509 -17.5509 -16.8669 -16.8669 -15.4877 -15.4877 -15.4185 -15.4185 -6.0645 -6.0645 -5.6063 -5.6063 2.6356 2.6356 3.0814 3.0814 3.7871 3.7871 4.0927 4.0927 4.9381 4.9381 5.2986 5.2986 8.1619 8.1619 9.5291 9.5291 9.7016 9.7016 10.1200 10.1200 k = 0.5822 0.1702-0.4106 ( 6360 PWs) bands (ev): -45.6979 -45.6979 -35.7910 -35.7910 -17.7350 -17.7350 -17.5610 -17.5610 -17.5509 -17.5509 -16.8648 -16.8648 -15.4843 -15.4843 -15.4167 -15.4167 -6.0923 -6.0923 -5.6017 -5.6017 2.6639 2.6639 3.0876 3.0876 3.7729 3.7729 4.1213 4.1213 4.9702 4.9702 5.2867 5.2867 8.1940 8.1940 9.5298 9.5298 9.6549 9.6549 10.1082 10.1082 k = 0.5784 0.1692-0.3879 ( 6366 PWs) bands (ev): -45.6979 -45.6979 -35.7913 -35.7913 -17.7349 -17.7349 -17.5608 -17.5608 -17.5509 -17.5509 -16.8628 -16.8628 -15.4811 -15.4811 -15.4146 -15.4146 -6.1204 -6.1204 -5.5966 -5.5966 2.6916 2.6916 3.0898 3.0898 3.7578 3.7578 4.1611 4.1611 5.0014 5.0014 5.2704 5.2704 8.2278 8.2278 9.5338 9.5338 9.6090 9.6090 10.0932 10.0932 k = 0.5747 0.1681-0.3652 ( 6366 PWs) bands (ev): -45.6979 -45.6979 -35.7917 -35.7917 -17.7347 -17.7347 -17.5606 -17.5606 -17.5509 -17.5509 -16.8607 -16.8607 -15.4782 -15.4782 -15.4123 -15.4123 -6.1485 -6.1485 -5.5911 -5.5911 2.7194 2.7194 3.0879 3.0879 3.7419 3.7419 4.2115 4.2115 5.0298 5.0298 5.2518 5.2518 8.2630 8.2630 9.5267 9.5267 9.5789 9.5789 10.0752 10.0752 k = 0.5710 0.1670-0.3425 ( 6358 PWs) bands (ev): -45.6979 -45.6979 -35.7921 -35.7921 -17.7346 -17.7346 -17.5603 -17.5603 -17.5509 -17.5509 -16.8588 -16.8588 -15.4755 -15.4755 -15.4096 -15.4096 -6.1765 -6.1765 -5.5854 -5.5854 2.7475 2.7475 3.0822 3.0822 3.7255 3.7255 4.2714 4.2714 5.0510 5.0510 5.2356 5.2356 8.2989 8.2989 9.4857 9.4857 9.5874 9.5874 10.0542 10.0542 k = 0.5672 0.1659-0.3197 ( 6363 PWs) bands (ev): -45.6979 -45.6979 -35.7924 -35.7924 -17.7345 -17.7345 -17.5601 -17.5601 -17.5509 -17.5509 -16.8568 -16.8568 -15.4732 -15.4732 -15.4068 -15.4068 -6.2042 -6.2042 -5.5794 -5.5794 2.7763 2.7763 3.0735 3.0735 3.7087 3.7087 4.3393 4.3393 5.0574 5.0574 5.2297 5.2297 8.3350 8.3350 9.4332 9.4332 9.6121 9.6121 10.0306 10.0306 k = 0.5635 0.1648-0.2970 ( 6374 PWs) bands (ev): -45.6979 -45.6979 -35.7927 -35.7927 -17.7344 -17.7344 -17.5599 -17.5599 -17.5509 -17.5509 -16.8550 -16.8550 -15.4712 -15.4712 -15.4037 -15.4037 -6.2313 -6.2313 -5.5734 -5.5734 2.8055 2.8055 3.0629 3.0629 3.6919 3.6919 4.4134 4.4134 5.0432 5.0432 5.2405 5.2405 8.3709 8.3709 9.3778 9.3778 9.6435 9.6435 10.0055 10.0055 k = 0.5598 0.1637-0.2743 ( 6374 PWs) bands (ev): -45.6979 -45.6979 -35.7931 -35.7931 -17.7342 -17.7342 -17.5597 -17.5597 -17.5509 -17.5509 -16.8532 -16.8532 -15.4694 -15.4694 -15.4005 -15.4005 -6.2577 -6.2577 -5.5673 -5.5673 2.8350 2.8350 3.0518 3.0518 3.6752 3.6752 4.4916 4.4916 5.0122 5.0122 5.2652 5.2652 8.4062 8.4062 9.3210 9.3210 9.6773 9.6773 9.9816 9.9816 k = 0.5560 0.1626-0.2516 ( 6374 PWs) bands (ev): -45.6979 -45.6979 -35.7934 -35.7934 -17.7341 -17.7341 -17.5595 -17.5595 -17.5509 -17.5509 -16.8514 -16.8514 -15.4678 -15.4678 -15.3971 -15.3971 -6.2833 -6.2833 -5.5613 -5.5613 2.8634 2.8634 3.0421 3.0421 3.6589 3.6589 4.5711 4.5711 4.9725 4.9725 5.2977 5.2977 8.4406 8.4406 9.2637 9.2637 9.7067 9.7067 9.9651 9.9651 k = 0.5523 0.1615-0.2289 ( 6374 PWs) bands (ev): -45.6979 -45.6979 -35.7937 -35.7937 -17.7340 -17.7340 -17.5593 -17.5593 -17.5509 -17.5509 -16.8498 -16.8498 -15.4665 -15.4665 -15.3937 -15.3937 -6.3078 -6.3078 -5.5555 -5.5555 2.8883 2.8883 3.0370 3.0370 3.6431 3.6431 4.6460 4.6460 4.9325 4.9325 5.3340 5.3340 8.4738 8.4738 9.2064 9.2064 9.7200 9.7200 9.9671 9.9671 k = 0.5486 0.1604-0.2061 ( 6371 PWs) bands (ev): -45.6979 -45.6979 -35.7940 -35.7940 -17.7339 -17.7339 -17.5591 -17.5591 -17.5509 -17.5509 -16.8482 -16.8482 -15.4654 -15.4654 -15.3902 -15.3902 -6.3312 -6.3312 -5.5498 -5.5498 2.9053 2.9053 3.0414 3.0414 3.6280 3.6280 4.7012 4.7012 4.9087 4.9087 5.3724 5.3724 8.5056 8.5056 9.1496 9.1496 9.7083 9.7083 9.9963 9.9963 k = 0.5448 0.1593-0.1834 ( 6369 PWs) bands (ev): -45.6979 -45.6979 -35.7943 -35.7943 -17.7338 -17.7338 -17.5589 -17.5589 -17.5509 -17.5509 -16.8467 -16.8467 -15.4645 -15.4645 -15.3868 -15.3868 -6.3534 -6.3534 -5.5443 -5.5443 2.9111 2.9111 3.0591 3.0591 3.6138 3.6138 4.7074 4.7074 4.9301 4.9301 5.4119 5.4119 8.5358 8.5358 9.0940 9.0940 9.6755 9.6755 10.0487 10.0487 k = 0.5411 0.1582-0.1607 ( 6369 PWs) bands (ev): -45.6980 -45.6980 -35.7945 -35.7945 -17.7337 -17.7337 -17.5588 -17.5588 -17.5509 -17.5509 -16.8454 -16.8454 -15.4637 -15.4637 -15.3835 -15.3835 -6.3742 -6.3742 -5.5392 -5.5392 2.9075 2.9075 3.0886 3.0886 3.6005 3.6005 4.6694 4.6694 4.9920 4.9920 5.4519 5.4519 8.5644 8.5644 9.0401 9.0401 9.6300 9.6300 10.1155 10.1155 k = 0.5374 0.1571-0.1380 ( 6363 PWs) bands (ev): -45.6980 -45.6980 -35.7948 -35.7948 -17.7336 -17.7336 -17.5586 -17.5586 -17.5509 -17.5509 -16.8441 -16.8441 -15.4630 -15.4630 -15.3803 -15.3803 -6.3935 -6.3935 -5.5343 -5.5343 2.8986 2.8986 3.1256 3.1256 3.5885 3.5885 4.6134 4.6134 5.0673 5.0673 5.4921 5.4921 8.5909 8.5909 8.9883 8.9883 9.5779 9.5779 10.1909 10.1909 k = 0.5336 0.1560-0.1153 ( 6367 PWs) bands (ev): -45.6980 -45.6980 -35.7950 -35.7950 -17.7335 -17.7335 -17.5584 -17.5584 -17.5509 -17.5509 -16.8429 -16.8429 -15.4625 -15.4625 -15.3773 -15.3773 -6.4112 -6.4112 -5.5298 -5.5298 2.8876 2.8876 3.1671 3.1671 3.5778 3.5778 4.5508 4.5508 5.1441 5.1441 5.5323 5.5323 8.6153 8.6153 8.9393 8.9393 9.5228 9.5228 10.2713 10.2713 k = 0.5299 0.1550-0.0925 ( 6380 PWs) bands (ev): -45.6980 -45.6980 -35.7952 -35.7952 -17.7335 -17.7335 -17.5584 -17.5584 -17.5509 -17.5509 -16.8419 -16.8419 -15.4620 -15.4620 -15.3746 -15.3746 -6.4273 -6.4273 -5.5257 -5.5257 2.8761 2.8761 3.2111 3.2111 3.5687 3.5687 4.4854 4.4854 5.2177 5.2177 5.5724 5.5724 8.6371 8.6371 8.8936 8.8936 9.4673 9.4673 10.3541 10.3541 k = 0.5261 0.1539-0.0698 ( 6386 PWs) bands (ev): -45.6980 -45.6980 -35.7954 -35.7954 -17.7334 -17.7334 -17.5582 -17.5582 -17.5509 -17.5509 -16.8409 -16.8409 -15.4616 -15.4616 -15.3720 -15.3720 -6.4417 -6.4417 -5.5220 -5.5220 2.8649 2.8649 3.2561 3.2561 3.5615 3.5615 4.4195 4.4195 5.2852 5.2852 5.6121 5.6121 8.6560 8.6560 8.8517 8.8517 9.4137 9.4137 10.4369 10.4369 k = 0.5224 0.1528-0.0471 ( 6386 PWs) bands (ev): -45.6980 -45.6980 -35.7956 -35.7956 -17.7334 -17.7334 -17.5581 -17.5581 -17.5509 -17.5509 -16.8401 -16.8401 -15.4613 -15.4613 -15.3698 -15.3698 -6.4543 -6.4543 -5.5188 -5.5188 2.8546 2.8546 3.3008 3.3008 3.5568 3.5568 4.3544 4.3544 5.3449 5.3449 5.6510 5.6510 8.6717 8.6717 8.8142 8.8142 9.3640 9.3640 10.5170 10.5170 k = 0.5187 0.1517-0.0244 ( 6392 PWs) bands (ev): -45.6980 -45.6980 -35.7957 -35.7957 -17.7333 -17.7333 -17.5581 -17.5581 -17.5509 -17.5509 -16.8394 -16.8394 -15.4611 -15.4611 -15.3678 -15.3678 -6.4651 -6.4651 -5.5160 -5.5160 2.8455 2.8455 3.3431 3.3431 3.5554 3.5554 4.2918 4.2918 5.3954 5.3954 5.6882 5.6882 8.6839 8.6839 8.7815 8.7815 9.3198 9.3198 10.5911 10.5911 k = 0.5149 0.1506-0.0016 ( 6392 PWs) bands (ev): -45.6980 -45.6980 -35.7958 -35.7958 -17.7333 -17.7333 -17.5580 -17.5580 -17.5509 -17.5509 -16.8388 -16.8388 -15.4609 -15.4609 -15.3662 -15.3662 -6.4739 -6.4739 -5.5137 -5.5137 2.8379 2.8379 3.3804 3.3804 3.5582 3.5582 4.2334 4.2334 5.4363 5.4363 5.7224 5.7224 8.6925 8.6925 8.7542 8.7542 9.2827 9.2827 10.6547 10.6547 k = 0.5112 0.1495 0.0211 ( 6395 PWs) bands (ev): -45.6980 -45.6980 -35.7959 -35.7959 -17.7333 -17.7333 -17.5579 -17.5579 -17.5509 -17.5509 -16.8384 -16.8384 -15.4607 -15.4607 -15.3649 -15.3649 -6.4809 -6.4809 -5.5119 -5.5119 2.8318 2.8318 3.4099 3.4099 3.5660 3.5660 4.1818 4.1818 5.4675 5.4675 5.7516 5.7516 8.6977 8.6977 8.7328 8.7328 9.2535 9.2535 10.7030 10.7030 k = 0.5075 0.1484 0.0438 ( 6394 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7333 -17.7333 -17.5579 -17.5579 -17.5509 -17.5509 -16.8381 -16.8381 -15.4606 -15.4606 -15.3640 -15.3640 -6.4858 -6.4858 -5.5106 -5.5106 2.8274 2.8274 3.4297 3.4297 3.5775 3.5775 4.1400 4.1400 5.4893 5.4893 5.7742 5.7742 8.6998 8.6998 8.7181 8.7181 9.2327 9.2327 10.7329 10.7329 k = 0.5037 0.1473 0.0665 ( 6396 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7333 -17.7333 -17.5579 -17.5579 -17.5509 -17.5509 -16.8379 -16.8379 -15.4606 -15.4606 -15.3634 -15.3634 -6.4888 -6.4888 -5.5099 -5.5099 2.8248 2.8248 3.4403 3.4403 3.5883 3.5883 4.1123 4.1123 5.5022 5.5022 5.7885 5.7885 8.6987 8.6987 8.7111 8.7111 9.2203 9.2203 10.7471 10.7471 k = 0.5000 0.1462 0.0892 ( 6388 PWs) bands (ev): -45.6980 -45.6980 -35.7960 -35.7960 -17.7332 -17.7332 -17.5579 -17.5579 -17.5509 -17.5509 -16.8378 -16.8378 -15.4606 -15.4606 -15.3632 -15.3632 -6.4898 -6.4898 -5.5096 -5.5096 2.8239 2.8239 3.4436 3.4436 3.5927 3.5927 4.1026 4.1026 5.5065 5.5065 5.7933 5.7933 8.6974 8.6974 8.7095 8.7095 9.2161 9.2161 10.7509 10.7509 k = 0.5000-0.7818-0.4771 ( 6362 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7369 -17.7369 -17.5645 -17.5645 -17.5508 -17.5508 -16.8965 -16.8965 -15.5464 -15.5464 -15.4263 -15.4263 -5.8458 -5.8458 -5.4898 -5.4898 2.1355 2.1355 3.3071 3.3071 3.8408 3.8408 4.0122 4.0122 4.4526 4.4526 4.7495 4.7495 8.3954 8.3954 9.8508 9.8508 10.1850 10.1850 11.3741 11.3741 k = 0.5196-0.7727-0.4716 ( 6358 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7369 -17.7369 -17.5644 -17.5644 -17.5508 -17.5508 -16.8965 -16.8965 -15.5464 -15.5464 -15.4263 -15.4263 -5.8457 -5.8457 -5.4898 -5.4898 2.1346 2.1346 3.3056 3.3056 3.8428 3.8428 4.0135 4.0135 4.4537 4.4537 4.7497 4.7497 8.3933 8.3933 9.8501 9.8501 10.1851 10.1851 11.3537 11.3537 k = 0.5392-0.7635-0.4660 ( 6358 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7369 -17.7369 -17.5644 -17.5644 -17.5508 -17.5508 -16.8965 -16.8965 -15.5464 -15.5464 -15.4263 -15.4263 -5.8456 -5.8456 -5.4900 -5.4900 2.1319 2.1319 3.3010 3.3010 3.8482 3.8482 4.0176 4.0176 4.4569 4.4569 4.7501 4.7501 8.3869 8.3869 9.8481 9.8481 10.1854 10.1854 11.2899 11.2899 k = 0.5588-0.7544-0.4604 ( 6356 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7369 -17.7369 -17.5644 -17.5644 -17.5508 -17.5508 -16.8964 -16.8964 -15.5464 -15.5464 -15.4263 -15.4263 -5.8455 -5.8455 -5.4902 -5.4902 2.1275 2.1275 3.2936 3.2936 3.8567 3.8567 4.0245 4.0245 4.4620 4.4620 4.7509 4.7509 8.3763 8.3763 9.8448 9.8448 10.1860 10.1860 11.2042 11.2042 k = 0.5784-0.7453-0.4548 ( 6361 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7369 -17.7369 -17.5644 -17.5644 -17.5508 -17.5508 -16.8964 -16.8964 -15.5463 -15.5463 -15.4263 -15.4263 -5.8452 -5.8452 -5.4906 -5.4906 2.1215 2.1215 3.2840 3.2840 3.8671 3.8671 4.0346 4.0346 4.4688 4.4688 4.7521 4.7521 8.3616 8.3616 9.8402 9.8402 10.1868 10.1868 11.1132 11.1132 k = 0.5981-0.7361-0.4492 ( 6363 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7369 -17.7369 -17.5644 -17.5644 -17.5508 -17.5508 -16.8964 -16.8964 -15.5463 -15.5463 -15.4263 -15.4263 -5.8449 -5.8449 -5.4910 -5.4910 2.1140 2.1140 3.2727 3.2727 3.8786 3.8786 4.0483 4.0483 4.4771 4.4771 4.7540 4.7540 8.3433 8.3433 9.8344 9.8344 10.1878 10.1878 11.0220 11.0220 k = 0.6177-0.7270-0.4437 ( 6362 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7369 -17.7369 -17.5644 -17.5644 -17.5508 -17.5508 -16.8964 -16.8964 -15.5462 -15.5462 -15.4263 -15.4263 -5.8446 -5.8446 -5.4916 -5.4916 2.1054 2.1054 3.2601 3.2601 3.8901 3.8901 4.0657 4.0657 4.4865 4.4865 4.7567 4.7567 8.3214 8.3214 9.8275 9.8275 10.1889 10.1889 10.9325 10.9325 k = 0.6373-0.7178-0.4381 ( 6365 PWs) bands (ev): -45.6977 -45.6977 -35.7857 -35.7857 -17.7369 -17.7369 -17.5644 -17.5644 -17.5508 -17.5508 -16.8963 -16.8963 -15.5462 -15.5462 -15.4263 -15.4263 -5.8442 -5.8442 -5.4922 -5.4922 2.0957 2.0957 3.2467 3.2467 3.9009 3.9009 4.0867 4.0867 4.4966 4.4966 4.7605 4.7605 8.2965 8.2965 9.8195 9.8195 10.1901 10.1901 10.8458 10.8458 k = 0.6569-0.7087-0.4325 ( 6361 PWs) bands (ev): -45.6977 -45.6977 -35.7858 -35.7858 -17.7369 -17.7369 -17.5644 -17.5644 -17.5508 -17.5508 -16.8963 -16.8963 -15.5461 -15.5461 -15.4263 -15.4263 -5.8437 -5.8437 -5.4930 -5.4930 2.0854 2.0854 3.2330 3.2330 3.9107 3.9107 4.1109 4.1109 4.5069 4.5069 4.7657 4.7657 8.2689 8.2689 9.8105 9.8105 10.1914 10.1914 10.7627 10.7627 k = 0.6765-0.6996-0.4269 ( 6359 PWs) bands (ev): -45.6977 -45.6977 -35.7858 -35.7858 -17.7369 -17.7369 -17.5644 -17.5644 -17.5508 -17.5508 -16.8962 -16.8962 -15.5460 -15.5460 -15.4263 -15.4263 -5.8432 -5.8432 -5.4938 -5.4938 2.0745 2.0745 3.2191 3.2191 3.9195 3.9195 4.1375 4.1375 4.5168 4.5168 4.7724 4.7724 8.2391 8.2391 9.8008 9.8008 10.1926 10.1926 10.6835 10.6835 k = 0.6961-0.6904-0.4214 ( 6359 PWs) bands (ev): -45.6977 -45.6977 -35.7858 -35.7858 -17.7369 -17.7369 -17.5644 -17.5644 -17.5508 -17.5508 -16.8962 -16.8962 -15.5459 -15.5459 -15.4263 -15.4263 -5.8427 -5.8427 -5.4948 -5.4948 2.0635 2.0635 3.2055 3.2055 3.9272 3.9272 4.1659 4.1659 4.5261 4.5261 4.7810 4.7810 8.2077 8.2077 9.7905 9.7905 10.1938 10.1938 10.6088 10.6088 k = 0.7157-0.6813-0.4158 ( 6366 PWs) bands (ev): -45.6977 -45.6977 -35.7858 -35.7858 -17.7369 -17.7369 -17.5645 -17.5645 -17.5509 -17.5509 -16.8961 -16.8961 -15.5458 -15.5458 -15.4263 -15.4263 -5.8420 -5.8420 -5.4958 -5.4958 2.0524 2.0524 3.1923 3.1923 3.9341 3.9341 4.1952 4.1952 4.5343 4.5343 4.7913 4.7913 8.1753 8.1753 9.7798 9.7798 10.1949 10.1949 10.5386 10.5386 k = 0.7353-0.6721-0.4102 ( 6374 PWs) bands (ev): -45.6977 -45.6977 -35.7858 -35.7858 -17.7369 -17.7369 -17.5645 -17.5645 -17.5509 -17.5509 -16.8961 -16.8961 -15.5457 -15.5457 -15.4263 -15.4263 -5.8414 -5.8414 -5.4970 -5.4970 2.0417 2.0417 3.1797 3.1797 3.9403 3.9403 4.2246 4.2246 4.5412 4.5412 4.8034 4.8034 8.1425 8.1425 9.7689 9.7689 10.1958 10.1958 10.4734 10.4734 k = 0.7549-0.6630-0.4046 ( 6380 PWs) bands (ev): -45.6977 -45.6977 -35.7858 -35.7858 -17.7369 -17.7369 -17.5645 -17.5645 -17.5509 -17.5509 -16.8960 -16.8960 -15.5456 -15.5456 -15.4263 -15.4263 -5.8407 -5.8407 -5.4982 -5.4982 2.0314 2.0314 3.1679 3.1679 3.9458 3.9458 4.2534 4.2534 4.5469 4.5469 4.8169 4.8169 8.1101 8.1101 9.7582 9.7582 10.1964 10.1964 10.4131 10.4131 k = 0.7746-0.6539-0.3991 ( 6386 PWs) bands (ev): -45.6977 -45.6977 -35.7858 -35.7858 -17.7370 -17.7370 -17.5645 -17.5645 -17.5510 -17.5510 -16.8959 -16.8959 -15.5455 -15.5455 -15.4263 -15.4263 -5.8400 -5.8400 -5.4995 -5.4995 2.0219 2.0219 3.1570 3.1570 3.9508 3.9508 4.2809 4.2809 4.5513 4.5513 4.8316 4.8316 8.0786 8.0786 9.7480 9.7480 10.1968 10.1968 10.3580 10.3580 k = 0.7942-0.6447-0.3935 ( 6386 PWs) bands (ev): -45.6977 -45.6977 -35.7858 -35.7858 -17.7370 -17.7370 -17.5645 -17.5645 -17.5510 -17.5510 -16.8959 -16.8959 -15.5453 -15.5453 -15.4263 -15.4263 -5.8393 -5.8393 -5.5009 -5.5009 2.0133 2.0133 3.1470 3.1470 3.9551 3.9551 4.3065 4.3065 4.5548 4.5548 4.8467 4.8467 8.0488 8.0488 9.7385 9.7385 10.1968 10.1968 10.3080 10.3080 k = 0.8138-0.6356-0.3879 ( 6387 PWs) bands (ev): -45.6977 -45.6977 -35.7858 -35.7858 -17.7370 -17.7370 -17.5645 -17.5645 -17.5510 -17.5510 -16.8958 -16.8958 -15.5452 -15.5452 -15.4263 -15.4263 -5.8386 -5.8386 -5.5024 -5.5024 2.0057 2.0057 3.1380 3.1380 3.9589 3.9589 4.3295 4.3295 4.5575 4.5575 4.8619 4.8619 8.0215 8.0215 9.7301 9.7301 10.1963 10.1963 10.2633 10.2633 Writing output data file NaYSe2.save init_run : 0.68s CPU 0.82s WALL ( 1 calls) electrons : 228.06s CPU 229.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.04s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 228.06s CPU 229.96s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 297 calls) cegterg : 199.25s CPU 200.62s WALL ( 313 calls) Called by sum_band: Called by *egterg: h_psi : 189.73s CPU 190.92s WALL ( 5298 calls) s_psi : 1.56s CPU 1.54s WALL ( 5298 calls) g_psi : 0.22s CPU 0.20s WALL ( 4688 calls) cdiaghg : 22.82s CPU 23.17s WALL ( 4985 calls) cegterg:over : 3.67s CPU 3.69s WALL ( 4688 calls) cegterg:upda : 3.79s CPU 3.82s WALL ( 4688 calls) cegterg:last : 1.94s CPU 1.97s WALL ( 907 calls) cdiaghg:chol : 1.28s CPU 1.37s WALL ( 4985 calls) cdiaghg:inve : 0.65s CPU 0.67s WALL ( 4985 calls) cdiaghg:para : 1.46s CPU 1.35s WALL ( 9970 calls) Called by h_psi: h_psi:vloc : 185.58s CPU 186.55s WALL ( 5298 calls) h_psi:vnl : 3.95s CPU 4.17s WALL ( 5298 calls) add_vuspsi : 1.73s CPU 1.88s WALL ( 5298 calls) General routines calbec : 2.22s CPU 2.28s WALL ( 5298 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 174.92s CPU 175.89s WALL ( 462124 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.21s CPU 0.22s WALL ( 594 calls) Parallel routines fft_scatter : 33.36s CPU 33.77s WALL ( 462147 calls) PWSCF : 4m 3.62s CPU 4m27.60s WALL This run was terminated on: 21: 6: 5 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=