Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:20:13 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: ./NiCO3.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 60 34 10 1692 726 115 Max 61 35 11 1695 746 117 Sum 2183 1247 369 60965 26507 4161 bravais-lattice index = 14 lattice parameter (alat) = 10.5578 a.u. unit-cell volume = 610.4894 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.557757 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.659320 celldm(5)= 0.659320 celldm(6)= 0.659320 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.659320 0.751862 0.000000 ) a(3) = ( 0.659320 0.298748 0.689961 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.876916 -0.575892 ) b(2) = ( 0.000000 1.330031 -0.575892 ) b(3) = ( 0.000000 0.000000 1.449356 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Ni 10.00 58.69340 Ni( 1.00) C 4.00 12.01070 C( 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= 290 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0121951 -0.0106941 -0.0070231), wk = 0.0034483 k( 3) = ( 0.0243902 -0.0213882 -0.0140462), wk = 0.0034483 k( 4) = ( 0.0365854 -0.0320823 -0.0210692), wk = 0.0034483 k( 5) = ( 0.0487805 -0.0427764 -0.0280923), wk = 0.0034483 k( 6) = ( 0.0609756 -0.0534705 -0.0351154), wk = 0.0034483 k( 7) = ( 0.0731707 -0.0641646 -0.0421385), wk = 0.0034483 k( 8) = ( 0.0853658 -0.0748587 -0.0491615), wk = 0.0034483 k( 9) = ( 0.0975610 -0.0855528 -0.0561846), wk = 0.0034483 k( 10) = ( 0.1097561 -0.0962469 -0.0632077), wk = 0.0034483 k( 11) = ( 0.1219512 -0.1069410 -0.0702308), wk = 0.0034483 k( 12) = ( 0.1341463 -0.1176351 -0.0772539), wk = 0.0034483 k( 13) = ( 0.1463415 -0.1283292 -0.0842769), wk = 0.0034483 k( 14) = ( 0.1585366 -0.1390233 -0.0913000), wk = 0.0034483 k( 15) = ( 0.1707317 -0.1497174 -0.0983231), wk = 0.0034483 k( 16) = ( 0.1829268 -0.1604115 -0.1053462), wk = 0.0034483 k( 17) = ( 0.1951219 -0.1711056 -0.1123692), wk = 0.0034483 k( 18) = ( 0.2073171 -0.1817997 -0.1193923), wk = 0.0034483 k( 19) = ( 0.2195122 -0.1924938 -0.1264154), wk = 0.0034483 k( 20) = ( 0.2317073 -0.2031879 -0.1334385), wk = 0.0034483 k( 21) = ( 0.2439024 -0.2138820 -0.1404616), wk = 0.0034483 k( 22) = ( 0.2560976 -0.2245761 -0.1474846), wk = 0.0034483 k( 23) = ( 0.2682927 -0.2352702 -0.1545077), wk = 0.0034483 k( 24) = ( 0.2804878 -0.2459643 -0.1615308), wk = 0.0034483 k( 25) = ( 0.2926829 -0.2566584 -0.1685539), wk = 0.0034483 k( 26) = ( 0.3048781 -0.2673525 -0.1755769), wk = 0.0034483 k( 27) = ( 0.3170732 -0.2780466 -0.1826000), wk = 0.0034483 k( 28) = ( 0.3292683 -0.2887407 -0.1896231), wk = 0.0034483 k( 29) = ( 0.3414634 -0.2994347 -0.1966462), wk = 0.0034483 k( 30) = ( 0.3536585 -0.3101289 -0.2036693), wk = 0.0034483 k( 31) = ( 0.3658537 -0.3208230 -0.2106923), wk = 0.0034483 k( 32) = ( 0.3780488 -0.3315170 -0.2177154), wk = 0.0034483 k( 33) = ( 0.3902439 -0.3422111 -0.2247385), wk = 0.0034483 k( 34) = ( 0.4024390 -0.3529052 -0.2317616), wk = 0.0034483 k( 35) = ( 0.4146341 -0.3635993 -0.2387847), wk = 0.0034483 k( 36) = ( 0.4268293 -0.3742934 -0.2458077), wk = 0.0034483 k( 37) = ( 0.4390244 -0.3849875 -0.2528308), wk = 0.0034483 k( 38) = ( 0.4512195 -0.3956816 -0.2598539), wk = 0.0034483 k( 39) = ( 0.4634146 -0.4063757 -0.2668770), wk = 0.0034483 k( 40) = ( 0.4756098 -0.4170698 -0.2739000), wk = 0.0034483 k( 41) = ( 0.4878049 -0.4277639 -0.2809231), wk = 0.0034483 k( 42) = ( 0.5000000 -0.4384580 -0.2879462), wk = 0.0034483 k( 43) = ( 0.5000000 -0.4384580 -0.2879462), wk = 0.0034483 k( 44) = ( 0.5000000 -0.4288976 -0.3025039), wk = 0.0034483 k( 45) = ( 0.5000000 -0.4193372 -0.3170617), wk = 0.0034483 k( 46) = ( 0.5000000 -0.4097768 -0.3316194), wk = 0.0034483 k( 47) = ( 0.5000000 -0.4002164 -0.3461771), wk = 0.0034483 k( 48) = ( 0.5000000 -0.3906559 -0.3607348), wk = 0.0034483 k( 49) = ( 0.5000000 -0.3810955 -0.3752926), wk = 0.0034483 k( 50) = ( 0.5000000 -0.3715351 -0.3898503), wk = 0.0034483 k( 51) = ( 0.5000000 -0.3619747 -0.4044081), wk = 0.0034483 k( 52) = ( 0.5000000 -0.3524142 -0.4189658), wk = 0.0034483 k( 53) = ( 0.5000000 -0.3428538 -0.4335235), wk = 0.0034483 k( 54) = ( 0.5000000 -0.3332934 -0.4480813), wk = 0.0034483 k( 55) = ( 0.5000000 -0.3237330 -0.4626390), wk = 0.0034483 k( 56) = ( 0.5000000 -0.3141726 -0.4771967), wk = 0.0034483 k( 57) = ( 0.5000000 -0.3046121 -0.4917544), wk = 0.0034483 k( 58) = ( 0.5000000 -0.2950517 -0.5063122), wk = 0.0034483 k( 59) = ( 0.5000000 -0.2854913 -0.5208699), wk = 0.0034483 k( 60) = ( 0.5000000 -0.2759309 -0.5354276), wk = 0.0034483 k( 61) = ( 0.5000000 -0.2663704 -0.5499854), wk = 0.0034483 k( 62) = ( 0.5000000 -0.2568100 -0.5645431), wk = 0.0034483 k( 63) = ( 0.5000000 -0.2472496 -0.5791009), wk = 0.0034483 k( 64) = ( 0.5000000 -0.2376892 -0.5936586), wk = 0.0034483 k( 65) = ( 0.5000000 -0.2281288 -0.6082163), wk = 0.0034483 k( 66) = ( 0.5000000 -0.2185683 -0.6227740), wk = 0.0034483 k( 67) = ( 0.5000000 -0.2090079 -0.6373318), wk = 0.0034483 k( 68) = ( 0.5000000 -0.1994475 -0.6518895), wk = 0.0034483 k( 69) = ( 0.5000000 -0.1898871 -0.6664472), wk = 0.0034483 k( 70) = ( 0.5000000 -0.1803266 -0.6810050), wk = 0.0034483 k( 71) = ( 0.5000000 -0.1707662 -0.6955627), wk = 0.0034483 k( 72) = ( 0.5000000 -0.1612058 -0.7101205), wk = 0.0034483 k( 73) = ( 0.5000000 -0.1516454 -0.7246782), wk = 0.0034483 k( 74) = ( 0.7843564 -0.0227993 -0.4271066), wk = 0.0034483 k( 75) = ( 0.7770652 -0.0164056 -0.4123401), wk = 0.0034483 k( 76) = ( 0.7697740 -0.0100118 -0.3975737), wk = 0.0034483 k( 77) = ( 0.7624828 -0.0036181 -0.3828072), wk = 0.0034483 k( 78) = ( 0.7551916 0.0027757 -0.3680407), wk = 0.0034483 k( 79) = ( 0.7479004 0.0091695 -0.3532742), wk = 0.0034483 k( 80) = ( 0.7406092 0.0155632 -0.3385078), wk = 0.0034483 k( 81) = ( 0.7333181 0.0219570 -0.3237413), wk = 0.0034483 k( 82) = ( 0.7260269 0.0283508 -0.3089748), wk = 0.0034483 k( 83) = ( 0.7187357 0.0347445 -0.2942084), wk = 0.0034483 k( 84) = ( 0.7114445 0.0411383 -0.2794419), wk = 0.0034483 k( 85) = ( 0.7041533 0.0475320 -0.2646754), wk = 0.0034483 k( 86) = ( 0.6968621 0.0539258 -0.2499090), wk = 0.0034483 k( 87) = ( 0.6895709 0.0603196 -0.2351425), wk = 0.0034483 k( 88) = ( 0.6822797 0.0667133 -0.2203760), wk = 0.0034483 k( 89) = ( 0.6749885 0.0731071 -0.2056095), wk = 0.0034483 k( 90) = ( 0.6676973 0.0795008 -0.1908431), wk = 0.0034483 k( 91) = ( 0.6604062 0.0858946 -0.1760766), wk = 0.0034483 k( 92) = ( 0.6531150 0.0922884 -0.1613101), wk = 0.0034483 k( 93) = ( 0.6458238 0.0986821 -0.1465436), wk = 0.0034483 k( 94) = ( 0.6385326 0.1050759 -0.1317772), wk = 0.0034483 k( 95) = ( 0.6312414 0.1114696 -0.1170107), wk = 0.0034483 k( 96) = ( 0.6239502 0.1178634 -0.1022442), wk = 0.0034483 k( 97) = ( 0.6166590 0.1242572 -0.0874778), wk = 0.0034483 k( 98) = ( 0.6093678 0.1306509 -0.0727113), wk = 0.0034483 k( 99) = ( 0.6020766 0.1370447 -0.0579448), wk = 0.0034483 k( 100) = ( 0.5947855 0.1434384 -0.0431783), wk = 0.0034483 k( 101) = ( 0.5874943 0.1498322 -0.0284119), wk = 0.0034483 k( 102) = ( 0.5802031 0.1562260 -0.0136454), wk = 0.0034483 k( 103) = ( 0.5729119 0.1626197 0.0011211), wk = 0.0034483 k( 104) = ( 0.5656207 0.1690135 0.0158875), wk = 0.0034483 k( 105) = ( 0.5583295 0.1754073 0.0306540), wk = 0.0034483 k( 106) = ( 0.5510383 0.1818010 0.0454205), wk = 0.0034483 k( 107) = ( 0.5437471 0.1881948 0.0601870), wk = 0.0034483 k( 108) = ( 0.5364560 0.1945885 0.0749534), wk = 0.0034483 k( 109) = ( 0.5291648 0.2009823 0.0897199), wk = 0.0034483 k( 110) = ( 0.5218736 0.2073761 0.1044864), wk = 0.0034483 k( 111) = ( 0.5145824 0.2137698 0.1192528), wk = 0.0034483 k( 112) = ( 0.5072912 0.2201636 0.1340193), wk = 0.0034483 k( 113) = ( 0.5000000 0.2265573 0.1487858), wk = 0.0034483 k( 114) = ( 0.5000000 0.2265573 0.1487858), wk = 0.0034483 k( 115) = ( 0.4843750 0.2194774 0.1441362), wk = 0.0034483 k( 116) = ( 0.4687500 0.2123975 0.1394867), wk = 0.0034483 k( 117) = ( 0.4531250 0.2053176 0.1348371), wk = 0.0034483 k( 118) = ( 0.4375000 0.1982377 0.1301876), wk = 0.0034483 k( 119) = ( 0.4218750 0.1911578 0.1255380), wk = 0.0034483 k( 120) = ( 0.4062500 0.1840778 0.1208885), wk = 0.0034483 k( 121) = ( 0.3906250 0.1769979 0.1162389), wk = 0.0034483 k( 122) = ( 0.3750000 0.1699180 0.1115893), wk = 0.0034483 k( 123) = ( 0.3593750 0.1628381 0.1069398), wk = 0.0034483 k( 124) = ( 0.3437500 0.1557582 0.1022902), wk = 0.0034483 k( 125) = ( 0.3281250 0.1486783 0.0976407), wk = 0.0034483 k( 126) = ( 0.3125000 0.1415983 0.0929911), wk = 0.0034483 k( 127) = ( 0.2968750 0.1345184 0.0883416), wk = 0.0034483 k( 128) = ( 0.2812500 0.1274385 0.0836920), wk = 0.0034483 k( 129) = ( 0.2656250 0.1203586 0.0790424), wk = 0.0034483 k( 130) = ( 0.2500000 0.1132787 0.0743929), wk = 0.0034483 k( 131) = ( 0.2343750 0.1061988 0.0697433), wk = 0.0034483 k( 132) = ( 0.2187500 0.0991188 0.0650938), wk = 0.0034483 k( 133) = ( 0.2031250 0.0920389 0.0604442), wk = 0.0034483 k( 134) = ( 0.1875000 0.0849590 0.0557947), wk = 0.0034483 k( 135) = ( 0.1718750 0.0778791 0.0511451), wk = 0.0034483 k( 136) = ( 0.1562500 0.0707992 0.0464956), wk = 0.0034483 k( 137) = ( 0.1406250 0.0637193 0.0418460), wk = 0.0034483 k( 138) = ( 0.1250000 0.0566393 0.0371964), wk = 0.0034483 k( 139) = ( 0.1093750 0.0495594 0.0325469), wk = 0.0034483 k( 140) = ( 0.0937500 0.0424795 0.0278973), wk = 0.0034483 k( 141) = ( 0.0781250 0.0353996 0.0232478), wk = 0.0034483 k( 142) = ( 0.0625000 0.0283197 0.0185982), wk = 0.0034483 k( 143) = ( 0.0468750 0.0212398 0.0139487), wk = 0.0034483 k( 144) = ( 0.0312500 0.0141598 0.0092991), wk = 0.0034483 k( 145) = ( 0.0156250 0.0070799 0.0046496), wk = 0.0034483 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 148) = ( 0.0073025 -0.0064037 -0.0147894), wk = 0.0034483 k( 149) = ( 0.0146050 -0.0128073 -0.0295787), wk = 0.0034483 k( 150) = ( 0.0219075 -0.0192110 -0.0443681), wk = 0.0034483 k( 151) = ( 0.0292099 -0.0256147 -0.0591574), wk = 0.0034483 k( 152) = ( 0.0365124 -0.0320183 -0.0739468), wk = 0.0034483 k( 153) = ( 0.0438149 -0.0384220 -0.0887361), wk = 0.0034483 k( 154) = ( 0.0511174 -0.0448257 -0.1035254), wk = 0.0034483 k( 155) = ( 0.0584199 -0.0512293 -0.1183148), wk = 0.0034483 k( 156) = ( 0.0657224 -0.0576330 -0.1331041), wk = 0.0034483 k( 157) = ( 0.0730249 -0.0640367 -0.1478935), wk = 0.0034483 k( 158) = ( 0.0803274 -0.0704403 -0.1626829), wk = 0.0034483 k( 159) = ( 0.0876298 -0.0768440 -0.1774722), wk = 0.0034483 k( 160) = ( 0.0949323 -0.0832477 -0.1922616), wk = 0.0034483 k( 161) = ( 0.1022348 -0.0896513 -0.2070509), wk = 0.0034483 k( 162) = ( 0.1095373 -0.0960550 -0.2218403), wk = 0.0034483 k( 163) = ( 0.1168398 -0.1024587 -0.2366296), wk = 0.0034483 k( 164) = ( 0.1241423 -0.1088623 -0.2514190), wk = 0.0034483 k( 165) = ( 0.1314447 -0.1152660 -0.2662083), wk = 0.0034483 k( 166) = ( 0.1387472 -0.1216697 -0.2809977), wk = 0.0034483 k( 167) = ( 0.1460497 -0.1280733 -0.2957870), wk = 0.0034483 k( 168) = ( 0.1533522 -0.1344770 -0.3105764), wk = 0.0034483 k( 169) = ( 0.1606547 -0.1408807 -0.3253657), wk = 0.0034483 k( 170) = ( 0.1679572 -0.1472843 -0.3401551), wk = 0.0034483 k( 171) = ( 0.1752597 -0.1536880 -0.3549444), wk = 0.0034483 k( 172) = ( 0.1825622 -0.1600917 -0.3697338), wk = 0.0034483 k( 173) = ( 0.1898646 -0.1664954 -0.3845231), wk = 0.0034483 k( 174) = ( 0.1971671 -0.1728990 -0.3993125), wk = 0.0034483 k( 175) = ( 0.2044696 -0.1793027 -0.4141018), wk = 0.0034483 k( 176) = ( 0.2117721 -0.1857063 -0.4288912), wk = 0.0034483 k( 177) = ( 0.2190746 -0.1921100 -0.4436805), wk = 0.0034483 k( 178) = ( 0.2263771 -0.1985137 -0.4584699), wk = 0.0034483 k( 179) = ( 0.2336796 -0.2049174 -0.4732592), wk = 0.0034483 k( 180) = ( 0.2409820 -0.2113210 -0.4880486), wk = 0.0034483 k( 181) = ( 0.2482845 -0.2177247 -0.5028379), wk = 0.0034483 k( 182) = ( 0.2555870 -0.2241284 -0.5176273), wk = 0.0034483 k( 183) = ( 0.2628895 -0.2305320 -0.5324166), wk = 0.0034483 k( 184) = ( 0.2701920 -0.2369357 -0.5472060), wk = 0.0034483 k( 185) = ( 0.2774945 -0.2433394 -0.5619953), wk = 0.0034483 k( 186) = ( 0.2847969 -0.2497430 -0.5767847), wk = 0.0034483 k( 187) = ( 0.2920994 -0.2561467 -0.5915740), wk = 0.0034483 k( 188) = ( 0.2994019 -0.2625504 -0.6063634), wk = 0.0034483 k( 189) = ( 0.3067044 -0.2689540 -0.6211527), wk = 0.0034483 k( 190) = ( 0.3140069 -0.2753577 -0.6359421), wk = 0.0034483 k( 191) = ( 0.3213094 -0.2817614 -0.6507314), wk = 0.0034483 k( 192) = ( 0.3286119 -0.2881650 -0.6655208), wk = 0.0034483 k( 193) = ( 0.3359144 -0.2945687 -0.6803101), wk = 0.0034483 k( 194) = ( 0.3432168 -0.3009724 -0.6950995), wk = 0.0034483 k( 195) = ( 0.3505193 -0.3073760 -0.7098888), wk = 0.0034483 k( 196) = ( 0.3578218 -0.3137797 -0.7246782), wk = 0.0034483 k( 197) = ( 0.6421782 -0.0872224 -0.5758924), wk = 0.0034483 k( 198) = ( 0.6350693 -0.0715334 -0.5758924), wk = 0.0034483 k( 199) = ( 0.6279604 -0.0558444 -0.5758924), wk = 0.0034483 k( 200) = ( 0.6208515 -0.0401554 -0.5758924), wk = 0.0034483 k( 201) = ( 0.6137425 -0.0244664 -0.5758924), wk = 0.0034483 k( 202) = ( 0.6066336 -0.0087774 -0.5758924), wk = 0.0034483 k( 203) = ( 0.5995247 0.0069116 -0.5758924), wk = 0.0034483 k( 204) = ( 0.5924158 0.0226005 -0.5758924), wk = 0.0034483 k( 205) = ( 0.5853069 0.0382895 -0.5758924), wk = 0.0034483 k( 206) = ( 0.5781980 0.0539785 -0.5758924), wk = 0.0034483 k( 207) = ( 0.5710891 0.0696675 -0.5758924), wk = 0.0034483 k( 208) = ( 0.5639802 0.0853565 -0.5758924), wk = 0.0034483 k( 209) = ( 0.5568713 0.1010455 -0.5758924), wk = 0.0034483 k( 210) = ( 0.5497624 0.1167344 -0.5758924), wk = 0.0034483 k( 211) = ( 0.5426535 0.1324234 -0.5758924), wk = 0.0034483 k( 212) = ( 0.5355446 0.1481124 -0.5758924), wk = 0.0034483 k( 213) = ( 0.5284356 0.1638014 -0.5758924), wk = 0.0034483 k( 214) = ( 0.5213267 0.1794904 -0.5758924), wk = 0.0034483 k( 215) = ( 0.5142178 0.1951794 -0.5758924), wk = 0.0034483 k( 216) = ( 0.5071089 0.2108684 -0.5758924), wk = 0.0034483 k( 217) = ( 0.5000000 0.2265573 -0.5758924), wk = 0.0034483 k( 218) = ( 0.5000000 0.2265573 -0.5758924), wk = 0.0034483 k( 219) = ( 0.5109368 0.2315130 -0.5644473), wk = 0.0034483 k( 220) = ( 0.5218736 0.2364686 -0.5530023), wk = 0.0034483 k( 221) = ( 0.5328103 0.2414242 -0.5415572), wk = 0.0034483 k( 222) = ( 0.5437471 0.2463798 -0.5301121), wk = 0.0034483 k( 223) = ( 0.5546839 0.2513354 -0.5186671), wk = 0.0034483 k( 224) = ( 0.5656207 0.2562910 -0.5072220), wk = 0.0034483 k( 225) = ( 0.5765575 0.2612467 -0.4957770), wk = 0.0034483 k( 226) = ( 0.5874943 0.2662023 -0.4843319), wk = 0.0034483 k( 227) = ( 0.5984310 0.2711579 -0.4728868), wk = 0.0034483 k( 228) = ( 0.6093678 0.2761135 -0.4614418), wk = 0.0034483 k( 229) = ( 0.6203046 0.2810691 -0.4499967), wk = 0.0034483 k( 230) = ( 0.6312414 0.2860247 -0.4385517), wk = 0.0034483 k( 231) = ( 0.6421782 0.2909804 -0.4271066), wk = 0.0034483 k( 232) = ( 0.6421782 0.2909804 -0.4271066), wk = 0.0034483 k( 233) = ( 0.6379965 0.2890856 -0.4101686), wk = 0.0034483 k( 234) = ( 0.6338148 0.2871908 -0.3932306), wk = 0.0034483 k( 235) = ( 0.6296331 0.2852960 -0.3762926), wk = 0.0034483 k( 236) = ( 0.6254513 0.2834012 -0.3593545), wk = 0.0034483 k( 237) = ( 0.6212696 0.2815064 -0.3424165), wk = 0.0034483 k( 238) = ( 0.6170879 0.2796116 -0.3254785), wk = 0.0034483 k( 239) = ( 0.6129062 0.2777168 -0.3085405), wk = 0.0034483 k( 240) = ( 0.6087245 0.2758220 -0.2916025), wk = 0.0034483 k( 241) = ( 0.6045428 0.2739272 -0.2746645), wk = 0.0034483 k( 242) = ( 0.6003611 0.2720324 -0.2577265), wk = 0.0034483 k( 243) = ( 0.5961794 0.2701376 -0.2407885), wk = 0.0034483 k( 244) = ( 0.5919977 0.2682428 -0.2238505), wk = 0.0034483 k( 245) = ( 0.5878159 0.2663480 -0.2069125), wk = 0.0034483 k( 246) = ( 0.5836342 0.2644532 -0.1899744), wk = 0.0034483 k( 247) = ( 0.5794525 0.2625584 -0.1730364), wk = 0.0034483 k( 248) = ( 0.5752708 0.2606636 -0.1560984), wk = 0.0034483 k( 249) = ( 0.5710891 0.2587689 -0.1391604), wk = 0.0034483 k( 250) = ( 0.5669074 0.2568741 -0.1222224), wk = 0.0034483 k( 251) = ( 0.5627257 0.2549793 -0.1052844), wk = 0.0034483 k( 252) = ( 0.5585440 0.2530845 -0.0883464), wk = 0.0034483 k( 253) = ( 0.5543622 0.2511897 -0.0714084), wk = 0.0034483 k( 254) = ( 0.5501805 0.2492949 -0.0544703), wk = 0.0034483 k( 255) = ( 0.5459988 0.2474001 -0.0375323), wk = 0.0034483 k( 256) = ( 0.5418171 0.2455053 -0.0205943), wk = 0.0034483 k( 257) = ( 0.5376354 0.2436105 -0.0036563), wk = 0.0034483 k( 258) = ( 0.5334537 0.2417157 0.0132817), wk = 0.0034483 k( 259) = ( 0.5292720 0.2398209 0.0302197), wk = 0.0034483 k( 260) = ( 0.5250903 0.2379261 0.0471577), wk = 0.0034483 k( 261) = ( 0.5209086 0.2360313 0.0640957), wk = 0.0034483 k( 262) = ( 0.5167268 0.2341365 0.0810337), wk = 0.0034483 k( 263) = ( 0.5125451 0.2322417 0.0979718), wk = 0.0034483 k( 264) = ( 0.5083634 0.2303469 0.1149098), wk = 0.0034483 k( 265) = ( 0.5041817 0.2284521 0.1318478), wk = 0.0034483 k( 266) = ( 0.5000000 0.2265573 0.1487858), wk = 0.0034483 k( 267) = ( 0.5000000 -0.4384580 -0.2879462), wk = 0.0034483 k( 268) = ( 0.5123633 -0.4286077 -0.2814772), wk = 0.0034483 k( 269) = ( 0.5247266 -0.4187574 -0.2750083), wk = 0.0034483 k( 270) = ( 0.5370900 -0.4089071 -0.2685394), wk = 0.0034483 k( 271) = ( 0.5494533 -0.3990568 -0.2620704), wk = 0.0034483 k( 272) = ( 0.5618166 -0.3892064 -0.2556015), wk = 0.0034483 k( 273) = ( 0.5741799 -0.3793561 -0.2491325), wk = 0.0034483 k( 274) = ( 0.5865432 -0.3695058 -0.2426636), wk = 0.0034483 k( 275) = ( 0.5989066 -0.3596555 -0.2361946), wk = 0.0034483 k( 276) = ( 0.6112699 -0.3498052 -0.2297257), wk = 0.0034483 k( 277) = ( 0.6236332 -0.3399548 -0.2232567), wk = 0.0034483 k( 278) = ( 0.6359965 -0.3301045 -0.2167878), wk = 0.0034483 k( 279) = ( 0.6483598 -0.3202542 -0.2103188), wk = 0.0034483 k( 280) = ( 0.6607232 -0.3104039 -0.2038499), wk = 0.0034483 k( 281) = ( 0.6730865 -0.3005536 -0.1973809), wk = 0.0034483 k( 282) = ( 0.6854498 -0.2907032 -0.1909120), wk = 0.0034483 k( 283) = ( 0.6978131 -0.2808529 -0.1844430), wk = 0.0034483 k( 284) = ( 0.7101764 -0.2710026 -0.1779741), wk = 0.0034483 k( 285) = ( 0.7225398 -0.2611523 -0.1715051), wk = 0.0034483 k( 286) = ( 0.7349031 -0.2513020 -0.1650362), wk = 0.0034483 k( 287) = ( 0.7472664 -0.2414517 -0.1585672), wk = 0.0034483 k( 288) = ( 0.7596297 -0.2316013 -0.1520983), wk = 0.0034483 k( 289) = ( 0.7719930 -0.2217510 -0.1456294), wk = 0.0034483 k( 290) = ( 0.7843564 -0.2119007 -0.1391604), wk = 0.0034483 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0121951 0.0000000 -0.0000000), wk = 0.0034483 k( 3) = ( 0.0243902 0.0000000 -0.0000000), wk = 0.0034483 k( 4) = ( 0.0365854 -0.0000000 -0.0000000), wk = 0.0034483 k( 5) = ( 0.0487805 0.0000000 -0.0000000), wk = 0.0034483 k( 6) = ( 0.0609756 -0.0000000 -0.0000000), wk = 0.0034483 k( 7) = ( 0.0731707 -0.0000000 -0.0000000), wk = 0.0034483 k( 8) = ( 0.0853658 0.0000000 -0.0000000), wk = 0.0034483 k( 9) = ( 0.0975610 0.0000000 -0.0000000), wk = 0.0034483 k( 10) = ( 0.1097561 -0.0000000 -0.0000000), wk = 0.0034483 k( 11) = ( 0.1219512 -0.0000000 -0.0000000), wk = 0.0034483 k( 12) = ( 0.1341463 -0.0000000 0.0000000), wk = 0.0034483 k( 13) = ( 0.1463415 -0.0000000 -0.0000000), wk = 0.0034483 k( 14) = ( 0.1585366 -0.0000000 0.0000000), wk = 0.0034483 k( 15) = ( 0.1707317 0.0000000 0.0000000), wk = 0.0034483 k( 16) = ( 0.1829268 -0.0000000 0.0000000), wk = 0.0034483 k( 17) = ( 0.1951219 -0.0000000 -0.0000000), wk = 0.0034483 k( 18) = ( 0.2073171 -0.0000000 -0.0000000), wk = 0.0034483 k( 19) = ( 0.2195122 -0.0000000 -0.0000000), wk = 0.0034483 k( 20) = ( 0.2317073 -0.0000000 -0.0000000), wk = 0.0034483 k( 21) = ( 0.2439024 -0.0000000 -0.0000000), wk = 0.0034483 k( 22) = ( 0.2560976 -0.0000000 0.0000000), wk = 0.0034483 k( 23) = ( 0.2682927 -0.0000000 0.0000000), wk = 0.0034483 k( 24) = ( 0.2804878 -0.0000000 -0.0000000), wk = 0.0034483 k( 25) = ( 0.2926829 -0.0000000 -0.0000000), wk = 0.0034483 k( 26) = ( 0.3048781 0.0000000 -0.0000000), wk = 0.0034483 k( 27) = ( 0.3170732 -0.0000000 0.0000000), wk = 0.0034483 k( 28) = ( 0.3292683 -0.0000000 -0.0000000), wk = 0.0034483 k( 29) = ( 0.3414634 -0.0000000 -0.0000000), wk = 0.0034483 k( 30) = ( 0.3536585 -0.0000000 -0.0000000), wk = 0.0034483 k( 31) = ( 0.3658537 -0.0000000 0.0000000), wk = 0.0034483 k( 32) = ( 0.3780488 0.0000000 0.0000000), wk = 0.0034483 k( 33) = ( 0.3902439 -0.0000000 -0.0000000), wk = 0.0034483 k( 34) = ( 0.4024390 0.0000000 0.0000000), wk = 0.0034483 k( 35) = ( 0.4146341 -0.0000000 0.0000000), wk = 0.0034483 k( 36) = ( 0.4268293 0.0000000 0.0000000), wk = 0.0034483 k( 37) = ( 0.4390244 0.0000000 -0.0000000), wk = 0.0034483 k( 38) = ( 0.4512195 -0.0000000 -0.0000000), wk = 0.0034483 k( 39) = ( 0.4634146 -0.0000000 0.0000000), wk = 0.0034483 k( 40) = ( 0.4756098 -0.0000000 -0.0000000), wk = 0.0034483 k( 41) = ( 0.4878049 -0.0000000 -0.0000000), wk = 0.0034483 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034483 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034483 k( 44) = ( 0.5000000 0.0071881 -0.0071881), wk = 0.0034483 k( 45) = ( 0.5000000 0.0143762 -0.0143762), wk = 0.0034483 k( 46) = ( 0.5000000 0.0215644 -0.0215644), wk = 0.0034483 k( 47) = ( 0.5000000 0.0287525 -0.0287525), wk = 0.0034483 k( 48) = ( 0.5000000 0.0359406 -0.0359406), wk = 0.0034483 k( 49) = ( 0.5000000 0.0431287 -0.0431287), wk = 0.0034483 k( 50) = ( 0.5000000 0.0503169 -0.0503169), wk = 0.0034483 k( 51) = ( 0.5000000 0.0575050 -0.0575050), wk = 0.0034483 k( 52) = ( 0.5000000 0.0646931 -0.0646931), wk = 0.0034483 k( 53) = ( 0.5000000 0.0718812 -0.0718812), wk = 0.0034483 k( 54) = ( 0.5000000 0.0790693 -0.0790693), wk = 0.0034483 k( 55) = ( 0.5000000 0.0862574 -0.0862575), wk = 0.0034483 k( 56) = ( 0.5000000 0.0934456 -0.0934456), wk = 0.0034483 k( 57) = ( 0.5000000 0.1006337 -0.1006337), wk = 0.0034483 k( 58) = ( 0.5000000 0.1078218 -0.1078218), wk = 0.0034483 k( 59) = ( 0.5000000 0.1150099 -0.1150099), wk = 0.0034483 k( 60) = ( 0.5000000 0.1221980 -0.1221981), wk = 0.0034483 k( 61) = ( 0.5000000 0.1293862 -0.1293862), wk = 0.0034483 k( 62) = ( 0.5000000 0.1365743 -0.1365743), wk = 0.0034483 k( 63) = ( 0.5000000 0.1437624 -0.1437624), wk = 0.0034483 k( 64) = ( 0.5000000 0.1509505 -0.1509505), wk = 0.0034483 k( 65) = ( 0.5000000 0.1581387 -0.1581387), wk = 0.0034483 k( 66) = ( 0.5000000 0.1653268 -0.1653268), wk = 0.0034483 k( 67) = ( 0.5000000 0.1725149 -0.1725149), wk = 0.0034483 k( 68) = ( 0.5000000 0.1797030 -0.1797030), wk = 0.0034483 k( 69) = ( 0.5000000 0.1868911 -0.1868911), wk = 0.0034483 k( 70) = ( 0.5000000 0.1940793 -0.1940793), wk = 0.0034483 k( 71) = ( 0.5000000 0.2012674 -0.2012674), wk = 0.0034483 k( 72) = ( 0.5000000 0.2084555 -0.2084555), wk = 0.0034483 k( 73) = ( 0.5000000 0.2156436 -0.2156436), wk = 0.0034483 k( 74) = ( 0.7843564 0.5000000 0.2156436), wk = 0.0034483 k( 75) = ( 0.7770652 0.5000000 0.2229348), wk = 0.0034483 k( 76) = ( 0.7697740 0.5000000 0.2302260), wk = 0.0034483 k( 77) = ( 0.7624828 0.5000000 0.2375172), wk = 0.0034483 k( 78) = ( 0.7551916 0.5000000 0.2448084), wk = 0.0034483 k( 79) = ( 0.7479004 0.5000000 0.2520996), wk = 0.0034483 k( 80) = ( 0.7406092 0.5000000 0.2593908), wk = 0.0034483 k( 81) = ( 0.7333181 0.5000000 0.2666820), wk = 0.0034483 k( 82) = ( 0.7260269 0.5000000 0.2739731), wk = 0.0034483 k( 83) = ( 0.7187357 0.5000000 0.2812643), wk = 0.0034483 k( 84) = ( 0.7114445 0.5000000 0.2885555), wk = 0.0034483 k( 85) = ( 0.7041533 0.5000000 0.2958467), wk = 0.0034483 k( 86) = ( 0.6968621 0.5000000 0.3031379), wk = 0.0034483 k( 87) = ( 0.6895709 0.5000000 0.3104291), wk = 0.0034483 k( 88) = ( 0.6822797 0.5000000 0.3177203), wk = 0.0034483 k( 89) = ( 0.6749885 0.5000000 0.3250115), wk = 0.0034483 k( 90) = ( 0.6676973 0.5000000 0.3323026), wk = 0.0034483 k( 91) = ( 0.6604062 0.5000000 0.3395938), wk = 0.0034483 k( 92) = ( 0.6531150 0.5000000 0.3468850), wk = 0.0034483 k( 93) = ( 0.6458238 0.5000000 0.3541762), wk = 0.0034483 k( 94) = ( 0.6385326 0.5000000 0.3614674), wk = 0.0034483 k( 95) = ( 0.6312414 0.5000000 0.3687586), wk = 0.0034483 k( 96) = ( 0.6239502 0.5000000 0.3760498), wk = 0.0034483 k( 97) = ( 0.6166590 0.5000000 0.3833410), wk = 0.0034483 k( 98) = ( 0.6093678 0.5000000 0.3906322), wk = 0.0034483 k( 99) = ( 0.6020766 0.5000000 0.3979234), wk = 0.0034483 k( 100) = ( 0.5947855 0.5000000 0.4052145), wk = 0.0034483 k( 101) = ( 0.5874943 0.5000000 0.4125057), wk = 0.0034483 k( 102) = ( 0.5802031 0.5000000 0.4197969), wk = 0.0034483 k( 103) = ( 0.5729119 0.5000000 0.4270881), wk = 0.0034483 k( 104) = ( 0.5656207 0.5000000 0.4343793), wk = 0.0034483 k( 105) = ( 0.5583295 0.5000000 0.4416705), wk = 0.0034483 k( 106) = ( 0.5510383 0.5000000 0.4489617), wk = 0.0034483 k( 107) = ( 0.5437471 0.5000000 0.4562529), wk = 0.0034483 k( 108) = ( 0.5364560 0.5000000 0.4635440), wk = 0.0034483 k( 109) = ( 0.5291648 0.5000000 0.4708352), wk = 0.0034483 k( 110) = ( 0.5218736 0.5000000 0.4781264), wk = 0.0034483 k( 111) = ( 0.5145824 0.5000000 0.4854176), wk = 0.0034483 k( 112) = ( 0.5072912 0.5000000 0.4927088), wk = 0.0034483 k( 113) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034483 k( 114) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034483 k( 115) = ( 0.4843750 0.4843750 0.4843750), wk = 0.0034483 k( 116) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0034483 k( 117) = ( 0.4531250 0.4531250 0.4531250), wk = 0.0034483 k( 118) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0034483 k( 119) = ( 0.4218750 0.4218750 0.4218750), wk = 0.0034483 k( 120) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0034483 k( 121) = ( 0.3906250 0.3906250 0.3906250), wk = 0.0034483 k( 122) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0034483 k( 123) = ( 0.3593750 0.3593750 0.3593750), wk = 0.0034483 k( 124) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0034483 k( 125) = ( 0.3281250 0.3281250 0.3281250), wk = 0.0034483 k( 126) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0034483 k( 127) = ( 0.2968750 0.2968750 0.2968750), wk = 0.0034483 k( 128) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0034483 k( 129) = ( 0.2656250 0.2656250 0.2656250), wk = 0.0034483 k( 130) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034483 k( 131) = ( 0.2343750 0.2343750 0.2343750), wk = 0.0034483 k( 132) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0034483 k( 133) = ( 0.2031250 0.2031250 0.2031250), wk = 0.0034483 k( 134) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0034483 k( 135) = ( 0.1718750 0.1718750 0.1718750), wk = 0.0034483 k( 136) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0034483 k( 137) = ( 0.1406250 0.1406250 0.1406250), wk = 0.0034483 k( 138) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0034483 k( 139) = ( 0.1093750 0.1093750 0.1093750), wk = 0.0034483 k( 140) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0034483 k( 141) = ( 0.0781250 0.0781250 0.0781250), wk = 0.0034483 k( 142) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0034483 k( 143) = ( 0.0468750 0.0468750 0.0468750), wk = 0.0034483 k( 144) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0034483 k( 145) = ( 0.0156250 0.0156250 0.0156250), wk = 0.0034483 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 148) = ( 0.0073025 0.0000000 -0.0073025), wk = 0.0034483 k( 149) = ( 0.0146050 -0.0000000 -0.0146050), wk = 0.0034483 k( 150) = ( 0.0219075 -0.0000000 -0.0219075), wk = 0.0034483 k( 151) = ( 0.0292099 -0.0000000 -0.0292099), wk = 0.0034483 k( 152) = ( 0.0365124 0.0000000 -0.0365124), wk = 0.0034483 k( 153) = ( 0.0438149 -0.0000000 -0.0438149), wk = 0.0034483 k( 154) = ( 0.0511174 -0.0000000 -0.0511174), wk = 0.0034483 k( 155) = ( 0.0584199 0.0000000 -0.0584199), wk = 0.0034483 k( 156) = ( 0.0657224 0.0000000 -0.0657224), wk = 0.0034483 k( 157) = ( 0.0730249 0.0000000 -0.0730249), wk = 0.0034483 k( 158) = ( 0.0803274 0.0000000 -0.0803274), wk = 0.0034483 k( 159) = ( 0.0876298 -0.0000000 -0.0876298), wk = 0.0034483 k( 160) = ( 0.0949323 -0.0000000 -0.0949323), wk = 0.0034483 k( 161) = ( 0.1022348 -0.0000000 -0.1022348), wk = 0.0034483 k( 162) = ( 0.1095373 -0.0000000 -0.1095373), wk = 0.0034483 k( 163) = ( 0.1168398 0.0000000 -0.1168398), wk = 0.0034483 k( 164) = ( 0.1241423 -0.0000000 -0.1241423), wk = 0.0034483 k( 165) = ( 0.1314447 -0.0000000 -0.1314447), wk = 0.0034483 k( 166) = ( 0.1387472 -0.0000000 -0.1387472), wk = 0.0034483 k( 167) = ( 0.1460497 0.0000000 -0.1460497), wk = 0.0034483 k( 168) = ( 0.1533522 0.0000000 -0.1533522), wk = 0.0034483 k( 169) = ( 0.1606547 0.0000000 -0.1606547), wk = 0.0034483 k( 170) = ( 0.1679572 -0.0000000 -0.1679572), wk = 0.0034483 k( 171) = ( 0.1752597 -0.0000000 -0.1752597), wk = 0.0034483 k( 172) = ( 0.1825622 -0.0000000 -0.1825622), wk = 0.0034483 k( 173) = ( 0.1898646 -0.0000000 -0.1898646), wk = 0.0034483 k( 174) = ( 0.1971671 -0.0000000 -0.1971671), wk = 0.0034483 k( 175) = ( 0.2044696 -0.0000000 -0.2044696), wk = 0.0034483 k( 176) = ( 0.2117721 -0.0000000 -0.2117721), wk = 0.0034483 k( 177) = ( 0.2190746 -0.0000000 -0.2190746), wk = 0.0034483 k( 178) = ( 0.2263771 0.0000000 -0.2263771), wk = 0.0034483 k( 179) = ( 0.2336796 0.0000000 -0.2336796), wk = 0.0034483 k( 180) = ( 0.2409820 0.0000000 -0.2409820), wk = 0.0034483 k( 181) = ( 0.2482845 -0.0000000 -0.2482845), wk = 0.0034483 k( 182) = ( 0.2555870 -0.0000000 -0.2555870), wk = 0.0034483 k( 183) = ( 0.2628895 -0.0000000 -0.2628895), wk = 0.0034483 k( 184) = ( 0.2701920 -0.0000000 -0.2701920), wk = 0.0034483 k( 185) = ( 0.2774945 -0.0000000 -0.2774945), wk = 0.0034483 k( 186) = ( 0.2847969 -0.0000000 -0.2847970), wk = 0.0034483 k( 187) = ( 0.2920994 0.0000000 -0.2920994), wk = 0.0034483 k( 188) = ( 0.2994019 -0.0000000 -0.2994019), wk = 0.0034483 k( 189) = ( 0.3067044 -0.0000000 -0.3067044), wk = 0.0034483 k( 190) = ( 0.3140069 0.0000000 -0.3140069), wk = 0.0034483 k( 191) = ( 0.3213094 0.0000000 -0.3213094), wk = 0.0034483 k( 192) = ( 0.3286119 -0.0000000 -0.3286119), wk = 0.0034483 k( 193) = ( 0.3359144 -0.0000000 -0.3359144), wk = 0.0034483 k( 194) = ( 0.3432168 -0.0000000 -0.3432168), wk = 0.0034483 k( 195) = ( 0.3505193 0.0000000 -0.3505193), wk = 0.0034483 k( 196) = ( 0.3578218 0.0000000 -0.3578218), wk = 0.0034483 k( 197) = ( 0.6421782 0.3578218 -0.0000000), wk = 0.0034483 k( 198) = ( 0.6350693 0.3649307 -0.0000000), wk = 0.0034483 k( 199) = ( 0.6279604 0.3720396 -0.0000000), wk = 0.0034483 k( 200) = ( 0.6208515 0.3791485 0.0000000), wk = 0.0034483 k( 201) = ( 0.6137425 0.3862574 0.0000000), wk = 0.0034483 k( 202) = ( 0.6066336 0.3933664 -0.0000000), wk = 0.0034483 k( 203) = ( 0.5995247 0.4004753 -0.0000000), wk = 0.0034483 k( 204) = ( 0.5924158 0.4075842 -0.0000000), wk = 0.0034483 k( 205) = ( 0.5853069 0.4146931 0.0000000), wk = 0.0034483 k( 206) = ( 0.5781980 0.4218020 -0.0000000), wk = 0.0034483 k( 207) = ( 0.5710891 0.4289109 -0.0000000), wk = 0.0034483 k( 208) = ( 0.5639802 0.4360198 -0.0000000), wk = 0.0034483 k( 209) = ( 0.5568713 0.4431287 0.0000000), wk = 0.0034483 k( 210) = ( 0.5497624 0.4502376 -0.0000000), wk = 0.0034483 k( 211) = ( 0.5426535 0.4573465 -0.0000000), wk = 0.0034483 k( 212) = ( 0.5355446 0.4644554 -0.0000000), wk = 0.0034483 k( 213) = ( 0.5284356 0.4715644 -0.0000000), wk = 0.0034483 k( 214) = ( 0.5213267 0.4786733 -0.0000000), wk = 0.0034483 k( 215) = ( 0.5142178 0.4857822 -0.0000000), wk = 0.0034483 k( 216) = ( 0.5071089 0.4928911 -0.0000000), wk = 0.0034483 k( 217) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034483 k( 218) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034483 k( 219) = ( 0.5109368 0.5109368 0.0165880), wk = 0.0034483 k( 220) = ( 0.5218736 0.5218736 0.0331759), wk = 0.0034483 k( 221) = ( 0.5328103 0.5328103 0.0497639), wk = 0.0034483 k( 222) = ( 0.5437471 0.5437471 0.0663519), wk = 0.0034483 k( 223) = ( 0.5546839 0.5546839 0.0829399), wk = 0.0034483 k( 224) = ( 0.5656207 0.5656207 0.0995278), wk = 0.0034483 k( 225) = ( 0.5765575 0.5765575 0.1161158), wk = 0.0034483 k( 226) = ( 0.5874943 0.5874943 0.1327038), wk = 0.0034483 k( 227) = ( 0.5984310 0.5984310 0.1492917), wk = 0.0034483 k( 228) = ( 0.6093678 0.6093678 0.1658797), wk = 0.0034483 k( 229) = ( 0.6203046 0.6203046 0.1824677), wk = 0.0034483 k( 230) = ( 0.6312414 0.6312414 0.1990557), wk = 0.0034483 k( 231) = ( 0.6421782 0.6421782 0.2156436), wk = 0.0034483 k( 232) = ( 0.6421782 0.6421782 0.2156436), wk = 0.0034483 k( 233) = ( 0.6379965 0.6379965 0.2240070), wk = 0.0034483 k( 234) = ( 0.6338148 0.6338148 0.2323705), wk = 0.0034483 k( 235) = ( 0.6296331 0.6296330 0.2407339), wk = 0.0034483 k( 236) = ( 0.6254513 0.6254513 0.2490973), wk = 0.0034483 k( 237) = ( 0.6212696 0.6212696 0.2574607), wk = 0.0034483 k( 238) = ( 0.6170879 0.6170879 0.2658242), wk = 0.0034483 k( 239) = ( 0.6129062 0.6129062 0.2741876), wk = 0.0034483 k( 240) = ( 0.6087245 0.6087245 0.2825510), wk = 0.0034483 k( 241) = ( 0.6045428 0.6045428 0.2909144), wk = 0.0034483 k( 242) = ( 0.6003611 0.6003611 0.2992779), wk = 0.0034483 k( 243) = ( 0.5961794 0.5961794 0.3076413), wk = 0.0034483 k( 244) = ( 0.5919977 0.5919977 0.3160047), wk = 0.0034483 k( 245) = ( 0.5878159 0.5878159 0.3243681), wk = 0.0034483 k( 246) = ( 0.5836342 0.5836342 0.3327315), wk = 0.0034483 k( 247) = ( 0.5794525 0.5794525 0.3410950), wk = 0.0034483 k( 248) = ( 0.5752708 0.5752708 0.3494584), wk = 0.0034483 k( 249) = ( 0.5710891 0.5710891 0.3578218), wk = 0.0034483 k( 250) = ( 0.5669074 0.5669074 0.3661852), wk = 0.0034483 k( 251) = ( 0.5627257 0.5627257 0.3745487), wk = 0.0034483 k( 252) = ( 0.5585440 0.5585440 0.3829121), wk = 0.0034483 k( 253) = ( 0.5543622 0.5543622 0.3912755), wk = 0.0034483 k( 254) = ( 0.5501805 0.5501805 0.3996389), wk = 0.0034483 k( 255) = ( 0.5459988 0.5459988 0.4080024), wk = 0.0034483 k( 256) = ( 0.5418171 0.5418171 0.4163658), wk = 0.0034483 k( 257) = ( 0.5376354 0.5376354 0.4247292), wk = 0.0034483 k( 258) = ( 0.5334537 0.5334537 0.4330926), wk = 0.0034483 k( 259) = ( 0.5292720 0.5292720 0.4414560), wk = 0.0034483 k( 260) = ( 0.5250903 0.5250903 0.4498195), wk = 0.0034483 k( 261) = ( 0.5209086 0.5209086 0.4581829), wk = 0.0034483 k( 262) = ( 0.5167268 0.5167268 0.4665463), wk = 0.0034483 k( 263) = ( 0.5125451 0.5125451 0.4749097), wk = 0.0034483 k( 264) = ( 0.5083634 0.5083634 0.4832732), wk = 0.0034483 k( 265) = ( 0.5041817 0.5041817 0.4916366), wk = 0.0034483 k( 266) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034483 k( 267) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034483 k( 268) = ( 0.5123633 0.0155575 0.0155575), wk = 0.0034483 k( 269) = ( 0.5247266 0.0311149 0.0311149), wk = 0.0034483 k( 270) = ( 0.5370900 0.0466724 0.0466724), wk = 0.0034483 k( 271) = ( 0.5494533 0.0622299 0.0622299), wk = 0.0034483 k( 272) = ( 0.5618166 0.0777874 0.0777873), wk = 0.0034483 k( 273) = ( 0.5741799 0.0933448 0.0933448), wk = 0.0034483 k( 274) = ( 0.5865432 0.1089023 0.1089023), wk = 0.0034483 k( 275) = ( 0.5989066 0.1244598 0.1244598), wk = 0.0034483 k( 276) = ( 0.6112699 0.1400172 0.1400172), wk = 0.0034483 k( 277) = ( 0.6236332 0.1555747 0.1555747), wk = 0.0034483 k( 278) = ( 0.6359965 0.1711322 0.1711322), wk = 0.0034483 k( 279) = ( 0.6483598 0.1866896 0.1866896), wk = 0.0034483 k( 280) = ( 0.6607232 0.2022471 0.2022471), wk = 0.0034483 k( 281) = ( 0.6730865 0.2178046 0.2178046), wk = 0.0034483 k( 282) = ( 0.6854498 0.2333620 0.2333620), wk = 0.0034483 k( 283) = ( 0.6978131 0.2489195 0.2489195), wk = 0.0034483 k( 284) = ( 0.7101764 0.2644770 0.2644770), wk = 0.0034483 k( 285) = ( 0.7225398 0.2800345 0.2800345), wk = 0.0034483 k( 286) = ( 0.7349031 0.2955919 0.2955919), wk = 0.0034483 k( 287) = ( 0.7472664 0.3111494 0.3111494), wk = 0.0034483 k( 288) = ( 0.7596297 0.3267069 0.3267069), wk = 0.0034483 k( 289) = ( 0.7719930 0.3422643 0.3422643), wk = 0.0034483 k( 290) = ( 0.7843564 0.3578218 0.3578218), wk = 0.0034483 Dense grid: 60965 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 26507 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 184, 76) NL pseudopotentials 0.25 Mb ( 92, 180) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1693) G-vector shells 0.01 Mb ( 1319) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.85 Mb ( 184, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.42 Mb ( 180, 2, 76) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./NiCO3.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 5.3 secs Computing kpt #: 4 total cpu time spent up to now is 6.1 secs Computing kpt #: 5 total cpu time spent up to now is 7.0 secs Computing kpt #: 6 total cpu time spent up to now is 7.9 secs Computing kpt #: 7 total cpu time spent up to now is 8.8 secs Computing kpt #: 8 total cpu time spent up to now is 9.8 secs Computing kpt #: 9 total cpu time spent up to now is 10.7 secs Computing kpt #: 10 total cpu time spent up to now is 11.8 secs Computing kpt #: 11 total cpu time spent up to now is 12.9 secs Computing kpt #: 12 total cpu time spent up to now is 14.3 secs Computing kpt #: 13 total cpu time spent up to now is 15.7 secs Computing kpt #: 14 total cpu time spent up to now is 17.3 secs Computing kpt #: 15 total cpu time spent up to now is 18.8 secs Computing kpt #: 16 total cpu time spent up to now is 20.4 secs Computing kpt #: 17 total cpu time spent up to now is 21.7 secs Computing kpt #: 18 total cpu time spent up to now is 22.7 secs Computing kpt #: 19 total cpu time spent up to now is 23.9 secs Computing kpt #: 20 total cpu time spent up to now is 24.9 secs Computing kpt #: 21 total cpu time spent up to now is 25.9 secs Computing kpt #: 22 total cpu time spent up to now is 26.9 secs Computing kpt #: 23 total cpu time spent up to now is 27.9 secs Computing kpt #: 24 total cpu time spent up to now is 28.8 secs Computing kpt #: 25 total cpu time spent up to now is 29.8 secs Computing kpt #: 26 total cpu time spent up to now is 30.7 secs Computing kpt #: 27 total cpu time spent up to now is 31.6 secs Computing kpt #: 28 total cpu time spent up to now is 32.5 secs Computing kpt #: 29 total cpu time spent up to now is 33.3 secs Computing kpt #: 30 total cpu time spent up to now is 34.2 secs Computing kpt #: 31 total cpu time spent up to now is 35.1 secs Computing kpt #: 32 total cpu time spent up to now is 35.9 secs Computing kpt #: 33 total cpu time spent up to now is 36.8 secs Computing kpt #: 34 total cpu time spent up to now is 37.6 secs Computing kpt #: 35 total cpu time spent up to now is 38.5 secs Computing kpt #: 36 total cpu time spent up to now is 39.3 secs Computing kpt #: 37 total cpu time spent up to now is 40.1 secs Computing kpt #: 38 total cpu time spent up to now is 41.0 secs Computing kpt #: 39 total cpu time spent up to now is 41.8 secs Computing kpt #: 40 total cpu time spent up to now is 42.6 secs Computing kpt #: 41 total cpu time spent up to now is 43.4 secs Computing kpt #: 42 total cpu time spent up to now is 44.2 secs Computing kpt #: 43 total cpu time spent up to now is 45.1 secs Computing kpt #: 44 total cpu time spent up to now is 45.9 secs Computing kpt #: 45 total cpu time spent up to now is 46.7 secs Computing kpt #: 46 total cpu time spent up to now is 47.5 secs Computing kpt #: 47 total cpu time spent up to now is 48.3 secs Computing kpt #: 48 total cpu time spent up to now is 49.2 secs Computing kpt #: 49 total cpu time spent up to now is 50.0 secs Computing kpt #: 50 total cpu time spent up to now is 50.8 secs Computing kpt #: 51 total cpu time spent up to now is 51.6 secs Computing kpt #: 52 total cpu time spent up to now is 52.5 secs Computing kpt #: 53 total cpu time spent up to now is 53.3 secs Computing kpt #: 54 total cpu time spent up to now is 54.1 secs Computing kpt #: 55 total cpu time spent up to now is 55.0 secs Computing kpt #: 56 total cpu time spent up to now is 55.8 secs Computing kpt #: 57 total cpu time spent up to now is 56.7 secs Computing kpt #: 58 total cpu time spent up to now is 57.5 secs Computing kpt #: 59 total cpu time spent up to now is 58.4 secs Computing kpt #: 60 total cpu time spent up to now is 59.3 secs Computing kpt #: 61 total cpu time spent up to now is 60.1 secs Computing kpt #: 62 total cpu time spent up to now is 61.0 secs Computing kpt #: 63 total cpu time spent up to now is 61.8 secs Computing kpt #: 64 total cpu time spent up to now is 62.7 secs Computing kpt #: 65 total cpu time spent up to now is 63.6 secs Computing kpt #: 66 total cpu time spent up to now is 64.5 secs Computing kpt #: 67 total cpu time spent up to now is 65.4 secs Computing kpt #: 68 total cpu time spent up to now is 66.3 secs Computing kpt #: 69 total cpu time spent up to now is 67.3 secs Computing kpt #: 70 total cpu time spent up to now is 68.2 secs Computing kpt #: 71 total cpu time spent up to now is 69.2 secs Computing kpt #: 72 total cpu time spent up to now is 70.1 secs Computing kpt #: 73 total cpu time spent up to now is 71.0 secs Computing kpt #: 74 total cpu time spent up to now is 72.0 secs Computing kpt #: 75 total cpu time spent up to now is 73.0 secs Computing kpt #: 76 total cpu time spent up to now is 73.9 secs Computing kpt #: 77 total cpu time spent up to now is 74.9 secs Computing kpt #: 78 total cpu time spent up to now is 75.8 secs Computing kpt #: 79 total cpu time spent up to now is 76.7 secs Computing kpt #: 80 total cpu time spent up to now is 77.7 secs Computing kpt #: 81 total cpu time spent up to now is 78.6 secs Computing kpt #: 82 total cpu time spent up to now is 79.5 secs Computing kpt #: 83 total cpu time spent up to now is 80.4 secs Computing kpt #: 84 total cpu time spent up to now is 81.3 secs Computing kpt #: 85 total cpu time spent up to now is 82.2 secs Computing kpt #: 86 total cpu time spent up to now is 83.1 secs Computing kpt #: 87 total cpu time spent up to now is 83.9 secs Computing kpt #: 88 total cpu time spent up to now is 84.8 secs Computing kpt #: 89 total cpu time spent up to now is 85.6 secs Computing kpt #: 90 total cpu time spent up to now is 86.5 secs Computing kpt #: 91 total cpu time spent up to now is 87.3 secs Computing kpt #: 92 total cpu time spent up to now is 88.1 secs Computing kpt #: 93 total cpu time spent up to now is 89.0 secs Computing kpt #: 94 total cpu time spent up to now is 89.8 secs Computing kpt #: 95 total cpu time spent up to now is 90.6 secs Computing kpt #: 96 total cpu time spent up to now is 91.4 secs Computing kpt #: 97 total cpu time spent up to now is 92.1 secs Computing kpt #: 98 total cpu time spent up to now is 92.9 secs Computing kpt #: 99 total cpu time spent up to now is 93.7 secs Computing kpt #: 100 total cpu time spent up to now is 94.5 secs Computing kpt #: 101 total cpu time spent up to now is 95.3 secs Computing kpt #: 102 total cpu time spent up to now is 96.0 secs Computing kpt #: 103 total cpu time spent up to now is 96.8 secs Computing kpt #: 104 total cpu time spent up to now is 97.6 secs Computing kpt #: 105 total cpu time spent up to now is 98.3 secs Computing kpt #: 106 total cpu time spent up to now is 99.0 secs Computing kpt #: 107 total cpu time spent up to now is 99.8 secs Computing kpt #: 108 total cpu time spent up to now is 100.6 secs Computing kpt #: 109 total cpu time spent up to now is 101.3 secs Computing kpt #: 110 total cpu time spent up to now is 102.0 secs Computing kpt #: 111 total cpu time spent up to now is 102.8 secs Computing kpt #: 112 total cpu time spent up to now is 103.5 secs Computing kpt #: 113 total cpu time spent up to now is 104.3 secs Computing kpt #: 114 total cpu time spent up to now is 105.0 secs Computing kpt #: 115 total cpu time spent up to now is 105.7 secs Computing kpt #: 116 total cpu time spent up to now is 106.5 secs Computing kpt #: 117 total cpu time spent up to now is 107.2 secs Computing kpt #: 118 total cpu time spent up to now is 108.0 secs Computing kpt #: 119 total cpu time spent up to now is 108.7 secs Computing kpt #: 120 total cpu time spent up to now is 109.4 secs Computing kpt #: 121 total cpu time spent up to now is 110.2 secs Computing kpt #: 122 total cpu time spent up to now is 110.9 secs Computing kpt #: 123 total cpu time spent up to now is 111.7 secs Computing kpt #: 124 total cpu time spent up to now is 112.4 secs Computing kpt #: 125 total cpu time spent up to now is 113.2 secs Computing kpt #: 126 total cpu time spent up to now is 114.0 secs Computing kpt #: 127 total cpu time spent up to now is 114.8 secs Computing kpt #: 128 total cpu time spent up to now is 115.6 secs Computing kpt #: 129 total cpu time spent up to now is 116.4 secs Computing kpt #: 130 total cpu time spent up to now is 117.1 secs Computing kpt #: 131 total cpu time spent up to now is 117.9 secs Computing kpt #: 132 total cpu time spent up to now is 118.7 secs Computing kpt #: 133 total cpu time spent up to now is 119.4 secs Computing kpt #: 134 total cpu time spent up to now is 120.3 secs Computing kpt #: 135 total cpu time spent up to now is 121.1 secs Computing kpt #: 136 total cpu time spent up to now is 121.9 secs Computing kpt #: 137 total cpu time spent up to now is 122.7 secs Computing kpt #: 138 total cpu time spent up to now is 123.6 secs Computing kpt #: 139 total cpu time spent up to now is 124.4 secs Computing kpt #: 140 total cpu time spent up to now is 125.2 secs Computing kpt #: 141 total cpu time spent up to now is 126.1 secs Computing kpt #: 142 total cpu time spent up to now is 127.1 secs Computing kpt #: 143 total cpu time spent up to now is 127.9 secs Computing kpt #: 144 total cpu time spent up to now is 128.8 secs Computing kpt #: 145 total cpu time spent up to now is 129.7 secs Computing kpt #: 146 total cpu time spent up to now is 130.5 secs Computing kpt #: 147 total cpu time spent up to now is 131.3 secs Computing kpt #: 148 total cpu time spent up to now is 132.2 secs Computing kpt #: 149 total cpu time spent up to now is 133.1 secs Computing kpt #: 150 total cpu time spent up to now is 133.9 secs Computing kpt #: 151 total cpu time spent up to now is 134.7 secs Computing kpt #: 152 total cpu time spent up to now is 135.6 secs Computing kpt #: 153 total cpu time spent up to now is 136.6 secs Computing kpt #: 154 total cpu time spent up to now is 137.5 secs Computing kpt #: 155 total cpu time spent up to now is 138.5 secs Computing kpt #: 156 total cpu time spent up to now is 139.5 secs Computing kpt #: 157 total cpu time spent up to now is 140.7 secs Computing kpt #: 158 total cpu time spent up to now is 142.1 secs Computing kpt #: 159 total cpu time spent up to now is 143.7 secs Computing kpt #: 160 total cpu time spent up to now is 145.5 secs Computing kpt #: 161 total cpu time spent up to now is 147.6 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 150.0 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 152.4 secs Computing kpt #: 164 total cpu time spent up to now is 154.0 secs Computing kpt #: 165 total cpu time spent up to now is 155.4 secs Computing kpt #: 166 total cpu time spent up to now is 157.0 secs Computing kpt #: 167 total cpu time spent up to now is 158.3 secs Computing kpt #: 168 total cpu time spent up to now is 159.7 secs Computing kpt #: 169 total cpu time spent up to now is 161.1 secs Computing kpt #: 170 total cpu time spent up to now is 162.4 secs Computing kpt #: 171 total cpu time spent up to now is 163.6 secs Computing kpt #: 172 total cpu time spent up to now is 164.7 secs Computing kpt #: 173 total cpu time spent up to now is 165.7 secs Computing kpt #: 174 total cpu time spent up to now is 166.8 secs Computing kpt #: 175 total cpu time spent up to now is 167.9 secs Computing kpt #: 176 total cpu time spent up to now is 168.9 secs Computing kpt #: 177 total cpu time spent up to now is 170.0 secs Computing kpt #: 178 total cpu time spent up to now is 171.0 secs Computing kpt #: 179 total cpu time spent up to now is 172.0 secs Computing kpt #: 180 total cpu time spent up to now is 173.0 secs Computing kpt #: 181 total cpu time spent up to now is 174.0 secs Computing kpt #: 182 total cpu time spent up to now is 175.0 secs Computing kpt #: 183 total cpu time spent up to now is 176.0 secs Computing kpt #: 184 total cpu time spent up to now is 177.0 secs Computing kpt #: 185 total cpu time spent up to now is 178.0 secs Computing kpt #: 186 total cpu time spent up to now is 179.0 secs Computing kpt #: 187 total cpu time spent up to now is 180.0 secs Computing kpt #: 188 total cpu time spent up to now is 181.0 secs Computing kpt #: 189 total cpu time spent up to now is 182.0 secs Computing kpt #: 190 total cpu time spent up to now is 183.0 secs Computing kpt #: 191 total cpu time spent up to now is 184.1 secs Computing kpt #: 192 total cpu time spent up to now is 185.0 secs Computing kpt #: 193 total cpu time spent up to now is 186.0 secs Computing kpt #: 194 total cpu time spent up to now is 187.1 secs Computing kpt #: 195 total cpu time spent up to now is 188.1 secs Computing kpt #: 196 total cpu time spent up to now is 189.2 secs Computing kpt #: 197 total cpu time spent up to now is 190.2 secs Computing kpt #: 198 total cpu time spent up to now is 191.2 secs Computing kpt #: 199 total cpu time spent up to now is 192.2 secs Computing kpt #: 200 total cpu time spent up to now is 193.2 secs Computing kpt #: 201 total cpu time spent up to now is 194.2 secs Computing kpt #: 202 total cpu time spent up to now is 195.2 secs Computing kpt #: 203 total cpu time spent up to now is 196.1 secs Computing kpt #: 204 total cpu time spent up to now is 197.0 secs Computing kpt #: 205 total cpu time spent up to now is 198.0 secs Computing kpt #: 206 total cpu time spent up to now is 198.9 secs Computing kpt #: 207 total cpu time spent up to now is 199.7 secs Computing kpt #: 208 total cpu time spent up to now is 200.6 secs Computing kpt #: 209 total cpu time spent up to now is 201.5 secs Computing kpt #: 210 total cpu time spent up to now is 202.4 secs Computing kpt #: 211 total cpu time spent up to now is 203.3 secs Computing kpt #: 212 total cpu time spent up to now is 204.3 secs Computing kpt #: 213 total cpu time spent up to now is 205.3 secs Computing kpt #: 214 total cpu time spent up to now is 206.2 secs Computing kpt #: 215 total cpu time spent up to now is 207.2 secs Computing kpt #: 216 total cpu time spent up to now is 208.2 secs Computing kpt #: 217 total cpu time spent up to now is 209.1 secs Computing kpt #: 218 total cpu time spent up to now is 210.1 secs Computing kpt #: 219 total cpu time spent up to now is 211.0 secs Computing kpt #: 220 total cpu time spent up to now is 212.0 secs Computing kpt #: 221 total cpu time spent up to now is 213.0 secs Computing kpt #: 222 total cpu time spent up to now is 213.9 secs Computing kpt #: 223 total cpu time spent up to now is 214.8 secs Computing kpt #: 224 total cpu time spent up to now is 215.9 secs Computing kpt #: 225 total cpu time spent up to now is 216.9 secs Computing kpt #: 226 total cpu time spent up to now is 217.9 secs Computing kpt #: 227 total cpu time spent up to now is 218.9 secs Computing kpt #: 228 total cpu time spent up to now is 220.0 secs Computing kpt #: 229 total cpu time spent up to now is 221.0 secs Computing kpt #: 230 total cpu time spent up to now is 222.0 secs Computing kpt #: 231 total cpu time spent up to now is 223.0 secs Computing kpt #: 232 total cpu time spent up to now is 224.1 secs Computing kpt #: 233 total cpu time spent up to now is 225.1 secs Computing kpt #: 234 total cpu time spent up to now is 226.1 secs Computing kpt #: 235 total cpu time spent up to now is 227.2 secs Computing kpt #: 236 total cpu time spent up to now is 228.1 secs Computing kpt #: 237 total cpu time spent up to now is 229.0 secs Computing kpt #: 238 total cpu time spent up to now is 229.9 secs Computing kpt #: 239 total cpu time spent up to now is 230.8 secs Computing kpt #: 240 total cpu time spent up to now is 231.7 secs Computing kpt #: 241 total cpu time spent up to now is 232.6 secs Computing kpt #: 242 total cpu time spent up to now is 233.5 secs Computing kpt #: 243 total cpu time spent up to now is 234.4 secs Computing kpt #: 244 total cpu time spent up to now is 235.3 secs Computing kpt #: 245 total cpu time spent up to now is 236.1 secs Computing kpt #: 246 total cpu time spent up to now is 236.9 secs Computing kpt #: 247 total cpu time spent up to now is 237.7 secs Computing kpt #: 248 total cpu time spent up to now is 238.5 secs Computing kpt #: 249 total cpu time spent up to now is 239.3 secs Computing kpt #: 250 total cpu time spent up to now is 240.1 secs Computing kpt #: 251 total cpu time spent up to now is 240.9 secs Computing kpt #: 252 total cpu time spent up to now is 241.7 secs Computing kpt #: 253 total cpu time spent up to now is 242.4 secs Computing kpt #: 254 total cpu time spent up to now is 243.2 secs Computing kpt #: 255 total cpu time spent up to now is 244.0 secs Computing kpt #: 256 total cpu time spent up to now is 244.7 secs Computing kpt #: 257 total cpu time spent up to now is 245.5 secs Computing kpt #: 258 total cpu time spent up to now is 246.3 secs Computing kpt #: 259 total cpu time spent up to now is 247.0 secs Computing kpt #: 260 total cpu time spent up to now is 247.8 secs Computing kpt #: 261 total cpu time spent up to now is 248.5 secs Computing kpt #: 262 total cpu time spent up to now is 249.3 secs Computing kpt #: 263 total cpu time spent up to now is 250.0 secs Computing kpt #: 264 total cpu time spent up to now is 250.7 secs Computing kpt #: 265 total cpu time spent up to now is 251.5 secs Computing kpt #: 266 total cpu time spent up to now is 252.2 secs Computing kpt #: 267 total cpu time spent up to now is 253.0 secs Computing kpt #: 268 total cpu time spent up to now is 253.8 secs Computing kpt #: 269 total cpu time spent up to now is 254.6 secs Computing kpt #: 270 total cpu time spent up to now is 255.5 secs Computing kpt #: 271 total cpu time spent up to now is 256.3 secs Computing kpt #: 272 total cpu time spent up to now is 257.2 secs Computing kpt #: 273 total cpu time spent up to now is 258.0 secs Computing kpt #: 274 total cpu time spent up to now is 258.8 secs Computing kpt #: 275 total cpu time spent up to now is 259.6 secs Computing kpt #: 276 total cpu time spent up to now is 260.5 secs Computing kpt #: 277 total cpu time spent up to now is 261.4 secs Computing kpt #: 278 total cpu time spent up to now is 262.2 secs Computing kpt #: 279 total cpu time spent up to now is 263.0 secs Computing kpt #: 280 total cpu time spent up to now is 263.9 secs Computing kpt #: 281 total cpu time spent up to now is 264.8 secs Computing kpt #: 282 total cpu time spent up to now is 265.6 secs Computing kpt #: 283 total cpu time spent up to now is 266.5 secs Computing kpt #: 284 total cpu time spent up to now is 267.4 secs Computing kpt #: 285 total cpu time spent up to now is 268.3 secs Computing kpt #: 286 total cpu time spent up to now is 269.3 secs Computing kpt #: 287 total cpu time spent up to now is 270.2 secs Computing kpt #: 288 total cpu time spent up to now is 271.2 secs Computing kpt #: 289 total cpu time spent up to now is 272.2 secs Computing kpt #: 290 total cpu time spent up to now is 273.3 secs ethr = 1.56E-08, avg # of iterations = 22.0 total cpu time spent up to now is 273.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3345 PWs) bands (ev): -16.2556 -16.2556 -15.6522 -15.6522 -12.8027 -12.8027 -12.8023 -12.8023 -12.5931 -12.5931 -12.5908 -12.5908 -2.6002 -2.6002 -2.3586 -2.3586 -1.2311 -1.2311 -0.5925 -0.5925 -0.5923 -0.5923 -0.4958 -0.4958 -0.4887 -0.4887 1.5192 1.5192 2.9430 2.9430 2.9513 2.9513 3.6581 3.6581 3.9106 3.9106 3.9356 3.9356 3.9953 3.9953 3.9983 3.9983 4.8622 4.8622 5.4318 5.4318 5.4432 5.4432 6.8385 6.8385 6.8628 6.8628 6.8791 6.8791 7.0147 7.0147 7.1358 7.1358 7.2378 7.2378 7.8896 7.8896 7.9158 7.9158 8.7717 8.7717 8.8059 8.8059 11.3343 11.3343 11.8886 11.8886 12.1157 12.1157 16.9621 16.9621 k = 0.0122-0.0107-0.0070 ( 3336 PWs) bands (ev): -16.2552 -16.2552 -15.6523 -15.6523 -12.8028 -12.8028 -12.8023 -12.8023 -12.5934 -12.5934 -12.5911 -12.5911 -2.5993 -2.5993 -2.3581 -2.3581 -1.2301 -1.2301 -0.5932 -0.5932 -0.5918 -0.5918 -0.4953 -0.4953 -0.4881 -0.4881 1.5174 1.5174 2.9440 2.9440 2.9523 2.9523 3.6585 3.6585 3.9086 3.9086 3.9331 3.9331 3.9962 3.9962 3.9994 3.9994 4.8622 4.8622 5.4303 5.4303 5.4417 5.4417 6.8387 6.8387 6.8631 6.8631 6.8794 6.8794 7.0146 7.0146 7.1357 7.1357 7.2381 7.2381 7.8897 7.8897 7.9158 7.9158 8.7711 8.7711 8.8053 8.8053 11.3357 11.3357 11.8883 11.8883 12.1189 12.1189 16.9645 16.9645 k = 0.0244-0.0214-0.0140 ( 3329 PWs) bands (ev): -16.2541 -16.2541 -15.6524 -15.6524 -12.8033 -12.8033 -12.8024 -12.8024 -12.5945 -12.5945 -12.5920 -12.5920 -2.5965 -2.5965 -2.3568 -2.3568 -1.2272 -1.2272 -0.5955 -0.5955 -0.5902 -0.5902 -0.4941 -0.4941 -0.4862 -0.4862 1.5118 1.5118 2.9461 2.9461 2.9559 2.9559 3.6593 3.6593 3.9030 3.9030 3.9262 3.9262 3.9976 3.9976 4.0034 4.0034 4.8623 4.8623 5.4253 5.4253 5.4378 5.4378 6.8390 6.8390 6.8638 6.8638 6.8802 6.8802 7.0143 7.0143 7.1355 7.1355 7.2390 7.2390 7.8896 7.8896 7.9159 7.9159 8.7693 8.7693 8.8034 8.8034 11.3398 11.3398 11.8876 11.8876 12.1284 12.1284 16.9717 16.9717 k = 0.0366-0.0321-0.0211 ( 3327 PWs) bands (ev): -16.2522 -16.2522 -15.6527 -15.6527 -12.8041 -12.8041 -12.8025 -12.8025 -12.5963 -12.5963 -12.5933 -12.5933 -2.5920 -2.5920 -2.3547 -2.3547 -1.2222 -1.2222 -0.5992 -0.5992 -0.5874 -0.5874 -0.4929 -0.4929 -0.4823 -0.4823 1.5027 1.5027 2.9484 2.9484 2.9629 2.9629 3.6604 3.6604 3.8939 3.8939 3.9160 3.9160 3.9991 3.9991 4.0094 4.0094 4.8624 4.8624 5.4161 5.4161 5.4322 5.4322 6.8395 6.8395 6.8650 6.8650 6.8816 6.8816 7.0137 7.0137 7.1350 7.1350 7.2404 7.2404 7.8895 7.8895 7.9159 7.9159 8.7663 8.7663 8.8003 8.8003 11.3467 11.3467 11.8863 11.8863 12.1442 12.1442 16.9836 16.9836 k = 0.0488-0.0428-0.0281 ( 3326 PWs) bands (ev): -16.2496 -16.2496 -15.6530 -15.6530 -12.8053 -12.8053 -12.8025 -12.8025 -12.5991 -12.5991 -12.5948 -12.5948 -2.5858 -2.5858 -2.3517 -2.3517 -1.2153 -1.2153 -0.6043 -0.6043 -0.5835 -0.5835 -0.4918 -0.4918 -0.4764 -0.4764 1.4902 1.4902 2.9506 2.9506 2.9732 2.9732 3.6611 3.6611 3.8811 3.8811 3.9042 3.9042 4.0010 4.0010 4.0165 4.0165 4.8626 4.8626 5.4025 5.4025 5.4256 5.4256 6.8401 6.8401 6.8666 6.8666 6.8836 6.8836 7.0128 7.0128 7.1343 7.1343 7.2423 7.2423 7.8893 7.8893 7.9161 7.9161 8.7622 8.7622 8.7959 8.7959 11.3561 11.3561 11.8846 11.8846 12.1661 12.1661 17.0001 17.0001 k = 0.0610-0.0535-0.0351 ( 3325 PWs) bands (ev): -16.2462 -16.2462 -15.6535 -15.6535 -12.8069 -12.8069 -12.8026 -12.8026 -12.6029 -12.6029 -12.5968 -12.5968 -2.5778 -2.5778 -2.3478 -2.3478 -1.2064 -1.2064 -0.6105 -0.6105 -0.5787 -0.5787 -0.4908 -0.4908 -0.4686 -0.4686 1.4746 1.4746 2.9530 2.9530 2.9864 2.9864 3.6610 3.6610 3.8637 3.8637 3.8929 3.8929 4.0032 4.0032 4.0240 4.0240 4.8629 4.8629 5.3848 5.3848 5.4178 5.4178 6.8409 6.8409 6.8686 6.8686 6.8861 6.8861 7.0117 7.0117 7.1333 7.1333 7.2445 7.2445 7.8891 7.8891 7.9164 7.9164 8.7570 8.7570 8.7904 8.7904 11.3681 11.3681 11.8825 11.8825 12.1941 12.1941 17.0211 17.0211 k = 0.0732-0.0642-0.0421 ( 3330 PWs) bands (ev): -16.2421 -16.2421 -15.6541 -15.6541 -12.8088 -12.8088 -12.8026 -12.8026 -12.6074 -12.6074 -12.5990 -12.5990 -2.5681 -2.5681 -2.3430 -2.3430 -1.1958 -1.1958 -0.6178 -0.6178 -0.5728 -0.5728 -0.4896 -0.4896 -0.4591 -0.4591 1.4561 1.4561 2.9556 2.9556 3.0019 3.0019 3.6591 3.6591 3.8411 3.8411 3.8835 3.8835 4.0059 4.0059 4.0318 4.0318 4.8632 4.8632 5.3635 5.3635 5.4089 5.4089 6.8417 6.8417 6.8709 6.8709 6.8891 6.8891 7.0103 7.0103 7.1321 7.1321 7.2470 7.2470 7.8890 7.8890 7.9171 7.9171 8.7508 8.7508 8.7837 8.7837 11.3824 11.3824 11.8799 11.8799 12.2279 12.2279 17.0464 17.0464 k = 0.0854-0.0749-0.0492 ( 3334 PWs) bands (ev): -16.2373 -16.2373 -15.6548 -15.6548 -12.8111 -12.8111 -12.8026 -12.8026 -12.6128 -12.6128 -12.6016 -12.6016 -2.5568 -2.5568 -2.3373 -2.3373 -1.1833 -1.1833 -0.6260 -0.6260 -0.5661 -0.5661 -0.4883 -0.4883 -0.4481 -0.4481 1.4350 1.4350 2.9585 2.9585 3.0193 3.0193 3.6546 3.6546 3.8136 3.8136 3.8764 3.8764 4.0091 4.0091 4.0402 4.0402 4.8637 4.8637 5.3390 5.3390 5.3988 5.3988 6.8426 6.8426 6.8735 6.8735 6.8926 6.8926 7.0086 7.0086 7.1307 7.1307 7.2497 7.2497 7.8888 7.8888 7.9181 7.9181 8.7437 8.7437 8.7761 8.7761 11.3989 11.3989 11.8770 11.8770 12.2673 12.2673 17.0757 17.0757 k = 0.0976-0.0856-0.0562 ( 3334 PWs) bands (ev): -16.2318 -16.2318 -15.6557 -15.6557 -12.8137 -12.8137 -12.8027 -12.8027 -12.6189 -12.6189 -12.6045 -12.6045 -2.5439 -2.5439 -2.3307 -2.3307 -1.1691 -1.1691 -0.6348 -0.6348 -0.5585 -0.5585 -0.4867 -0.4867 -0.4355 -0.4355 1.4118 1.4118 2.9615 2.9615 3.0382 3.0382 3.6470 3.6470 3.7816 3.7816 3.8715 3.8715 4.0128 4.0128 4.0493 4.0493 4.8643 4.8643 5.3116 5.3116 5.3877 5.3877 6.8436 6.8436 6.8764 6.8764 6.8965 6.8965 7.0067 7.0067 7.1290 7.1290 7.2524 7.2524 7.8888 7.8888 7.9197 7.9197 8.7358 8.7358 8.7676 8.7676 11.4173 11.4173 11.8738 11.8738 12.3120 12.3120 17.1088 17.1088 k = 0.1098-0.0962-0.0632 ( 3334 PWs) bands (ev): -16.2255 -16.2255 -15.6567 -15.6567 -12.8166 -12.8166 -12.8027 -12.8027 -12.6257 -12.6257 -12.6078 -12.6078 -2.5296 -2.5296 -2.3232 -2.3232 -1.1533 -1.1533 -0.6442 -0.6442 -0.5503 -0.5503 -0.4846 -0.4846 -0.4216 -0.4216 1.3866 1.3866 2.9645 2.9645 3.0582 3.0582 3.6360 3.6360 3.7456 3.7456 3.8683 3.8683 4.0171 4.0171 4.0596 4.0596 4.8651 4.8651 5.2818 5.2818 5.3757 5.3757 6.8444 6.8444 6.8795 6.8795 6.9010 6.9010 7.0045 7.0045 7.1271 7.1271 7.2550 7.2550 7.8890 7.8890 7.9220 7.9220 8.7272 8.7272 8.7583 8.7583 11.4375 11.4375 11.8703 11.8703 12.3618 12.3618 17.1453 17.1453 k = 0.1220-0.1069-0.0702 ( 3333 PWs) bands (ev): -16.2187 -16.2187 -15.6578 -15.6578 -12.8197 -12.8197 -12.8027 -12.8027 -12.6333 -12.6333 -12.6114 -12.6114 -2.5138 -2.5138 -2.3148 -2.3148 -1.1361 -1.1361 -0.6538 -0.6538 -0.5417 -0.5417 -0.4821 -0.4821 -0.4064 -0.4064 1.3598 1.3598 2.9675 2.9675 3.0787 3.0787 3.6217 3.6217 3.7058 3.7058 3.8663 3.8663 4.0220 4.0220 4.0715 4.0715 4.8659 4.8659 5.2499 5.2499 5.3630 5.3630 6.8452 6.8452 6.8828 6.8828 6.9057 6.9057 7.0021 7.0021 7.1251 7.1251 7.2574 7.2574 7.8894 7.8894 7.9250 7.9250 8.7179 8.7179 8.7483 8.7483 11.4593 11.4593 11.8667 11.8667 12.4164 12.4164 17.1847 17.1847 k = 0.1341-0.1176-0.0773 ( 3335 PWs) bands (ev): -16.2111 -16.2111 -15.6591 -15.6591 -12.8232 -12.8232 -12.8027 -12.8027 -12.6414 -12.6414 -12.6153 -12.6153 -2.4967 -2.4967 -2.3055 -2.3055 -1.1174 -1.1174 -0.6635 -0.6635 -0.5328 -0.5328 -0.4788 -0.4788 -0.3900 -0.3900 1.3316 1.3316 2.9702 2.9702 3.0995 3.0995 3.6042 3.6042 3.6626 3.6626 3.8645 3.8645 4.0276 4.0276 4.0853 4.0853 4.8669 4.8669 5.2161 5.2161 5.3496 5.3496 6.8458 6.8458 6.8864 6.8864 6.9109 6.9109 6.9995 6.9995 7.1229 7.1229 7.2594 7.2594 7.8901 7.8901 7.9287 7.9287 8.7081 8.7081 8.7377 8.7377 11.4824 11.4824 11.8629 11.8629 12.4754 12.4754 17.2264 17.2264 k = 0.1463-0.1283-0.0843 ( 3333 PWs) bands (ev): -16.2029 -16.2029 -15.6605 -15.6605 -12.8269 -12.8269 -12.8027 -12.8027 -12.6502 -12.6502 -12.6195 -12.6195 -2.4785 -2.4785 -2.2953 -2.2953 -1.0977 -1.0977 -0.6729 -0.6729 -0.5241 -0.5241 -0.4745 -0.4745 -0.3725 -0.3725 1.3024 1.3024 2.9726 2.9726 3.1201 3.1201 3.5836 3.5836 3.6168 3.6168 3.8623 3.8623 4.0339 4.0339 4.1011 4.1011 4.8681 4.8681 5.1809 5.1809 5.3359 5.3359 6.8462 6.8462 6.8902 6.8902 6.9163 6.9163 6.9969 6.9969 7.1206 7.1206 7.2609 7.2609 7.8913 7.8913 7.9333 7.9333 8.6977 8.6977 8.7266 8.7266 11.5066 11.5066 11.8591 11.8591 12.5386 12.5386 17.2693 17.2693 k = 0.1585-0.1390-0.0913 ( 3331 PWs) bands (ev): -16.1941 -16.1941 -15.6622 -15.6622 -12.8309 -12.8309 -12.8026 -12.8026 -12.6594 -12.6594 -12.6239 -12.6239 -2.4591 -2.4591 -2.2842 -2.2842 -1.0770 -1.0770 -0.6818 -0.6818 -0.5160 -0.5160 -0.4689 -0.4689 -0.3540 -0.3540 1.2723 1.2723 2.9745 2.9745 3.1403 3.1403 3.5555 3.5555 3.5733 3.5733 3.8592 3.8592 4.0408 4.0408 4.1190 4.1190 4.8693 4.8693 5.1446 5.1446 5.3221 5.3221 6.8462 6.8462 6.8943 6.8943 6.9221 6.9221 6.9941 6.9941 7.1183 7.1183 7.2619 7.2619 7.8930 7.8930 7.9388 7.9388 8.6870 8.6870 8.7151 8.7151 11.5317 11.5317 11.8554 11.8554 12.6056 12.6056 17.3114 17.3114 k = 0.1707-0.1497-0.0983 ( 3332 PWs) bands (ev): -16.1847 -16.1847 -15.6640 -15.6640 -12.8351 -12.8351 -12.8026 -12.8026 -12.6692 -12.6692 -12.6286 -12.6286 -2.4387 -2.4387 -2.2722 -2.2722 -1.0557 -1.0557 -0.6896 -0.6896 -0.5088 -0.5088 -0.4617 -0.4617 -0.3347 -0.3347 1.2416 1.2416 2.9758 2.9758 3.1596 3.1596 3.5090 3.5090 3.5441 3.5441 3.8551 3.8551 4.0485 4.0485 4.1386 4.1386 4.8706 4.8706 5.1073 5.1073 5.3082 5.3082 6.8458 6.8458 6.8986 6.8986 6.9282 6.9282 6.9914 6.9914 7.1160 7.1160 7.2621 7.2621 7.8953 7.8953 7.9452 7.9452 8.6758 8.6758 8.7032 8.7032 11.5576 11.5576 11.8517 11.8517 12.6761 12.6761 17.3478 17.3478 k = 0.1829-0.1604-0.1053 ( 3332 PWs) bands (ev): -16.1748 -16.1748 -15.6660 -15.6660 -12.8396 -12.8396 -12.8024 -12.8024 -12.6794 -12.6794 -12.6335 -12.6335 -2.4175 -2.4175 -2.2594 -2.2594 -1.0341 -1.0341 -0.6961 -0.6961 -0.5028 -0.5028 -0.4527 -0.4527 -0.3146 -0.3146 1.2104 1.2104 2.9761 2.9761 3.1777 3.1777 3.4551 3.4551 3.5187 3.5187 3.8498 3.8498 4.0568 4.0568 4.1595 4.1595 4.8720 4.8720 5.0694 5.0694 5.2946 5.2946 6.8451 6.8451 6.9032 6.9032 6.9345 6.9345 6.9889 6.9889 7.1137 7.1137 7.2616 7.2616 7.8984 7.8984 7.9523 7.9523 8.6642 8.6642 8.6910 8.6910 11.5838 11.5838 11.8483 11.8483 12.7497 12.7497 17.3650 17.3650 k = 0.1951-0.1711-0.1124 ( 3338 PWs) bands (ev): -16.1643 -16.1643 -15.6682 -15.6682 -12.8442 -12.8442 -12.8023 -12.8023 -12.6900 -12.6900 -12.6385 -12.6385 -2.3955 -2.3955 -2.2458 -2.2458 -1.0127 -1.0127 -0.7004 -0.7004 -0.4979 -0.4979 -0.4421 -0.4421 -0.2938 -0.2938 1.1788 1.1788 2.9754 2.9754 3.1946 3.1946 3.3983 3.3983 3.4933 3.4933 3.8438 3.8438 4.0657 4.0657 4.1813 4.1813 4.8734 4.8734 5.0311 5.0311 5.2814 5.2814 6.8439 6.8439 6.9080 6.9080 6.9411 6.9411 6.9865 6.9865 7.1115 7.1115 7.2604 7.2604 7.9023 7.9023 7.9603 7.9603 8.6524 8.6524 8.6786 8.6786 11.6103 11.6103 11.8450 11.8450 12.8261 12.8261 17.3419 17.3419 k = 0.2073-0.1818-0.1194 ( 3338 PWs) bands (ev): -16.1533 -16.1533 -15.6707 -15.6707 -12.8489 -12.8489 -12.8021 -12.8021 -12.7009 -12.7009 -12.6438 -12.6438 -2.3730 -2.3730 -2.2314 -2.2314 -0.9921 -0.9921 -0.7021 -0.7021 -0.4938 -0.4938 -0.4303 -0.4303 -0.2725 -0.2725 1.1470 1.1470 2.9735 2.9735 3.2098 3.2098 3.3399 3.3399 3.4674 3.4674 3.8372 3.8372 4.0751 4.0751 4.2034 4.2034 4.8749 4.8749 4.9927 4.9927 5.2689 5.2689 6.8423 6.8423 6.9131 6.9131 6.9480 6.9480 6.9844 6.9844 7.1095 7.1095 7.2586 7.2586 7.9070 7.9070 7.9690 7.9690 8.6402 8.6402 8.6661 8.6661 11.6369 11.6369 11.8421 11.8421 12.9051 12.9051 17.2830 17.2830 k = 0.2195-0.1925-0.1264 ( 3338 PWs) bands (ev): -16.1419 -16.1419 -15.6734 -15.6734 -12.8538 -12.8538 -12.8019 -12.8019 -12.7121 -12.7121 -12.6492 -12.6492 -2.3500 -2.3500 -2.2164 -2.2164 -0.9730 -0.9730 -0.7004 -0.7004 -0.4905 -0.4905 -0.4175 -0.4175 -0.2509 -0.2509 1.1151 1.1151 2.9700 2.9700 3.2230 3.2230 3.2803 3.2803 3.4412 3.4412 3.8305 3.8305 4.0850 4.0850 4.2253 4.2253 4.8761 4.8761 4.9546 4.9546 5.2570 5.2570 6.8403 6.8403 6.9184 6.9184 6.9550 6.9550 6.9827 6.9827 7.1077 7.1077 7.2562 7.2562 7.9127 7.9127 7.9783 7.9783 8.6276 8.6276 8.6534 8.6534 11.6633 11.6633 11.8396 11.8396 12.9863 12.9863 17.2077 17.2077 k = 0.2317-0.2032-0.1334 ( 3334 PWs) bands (ev): -16.1300 -16.1300 -15.6763 -15.6763 -12.8588 -12.8588 -12.8016 -12.8016 -12.7234 -12.7234 -12.6547 -12.6547 -2.3266 -2.3266 -2.2009 -2.2009 -0.9559 -0.9559 -0.6944 -0.6944 -0.4876 -0.4876 -0.4041 -0.4041 -0.2290 -0.2290 1.0831 1.0831 2.9648 2.9648 3.2175 3.2175 3.2369 3.2369 3.4150 3.4150 3.8240 3.8240 4.0951 4.0951 4.2465 4.2465 4.8763 4.8763 4.9179 4.9179 5.2462 5.2462 6.8381 6.8381 6.9238 6.9238 6.9623 6.9623 6.9814 6.9814 7.1060 7.1060 7.2534 7.2534 7.9193 7.9193 7.9884 7.9884 8.6149 8.6149 8.6407 8.6407 11.6894 11.6894 11.8375 11.8375 13.0695 13.0695 17.1250 17.1250 k = 0.2439-0.2139-0.1405 ( 3334 PWs) bands (ev): -16.1177 -16.1177 -15.6795 -15.6795 -12.8639 -12.8639 -12.8012 -12.8012 -12.7349 -12.7349 -12.6603 -12.6603 -2.3031 -2.3031 -2.1848 -2.1848 -0.9414 -0.9414 -0.6836 -0.6836 -0.4852 -0.4852 -0.3903 -0.3903 -0.2069 -0.2069 1.0511 1.0511 2.9577 2.9577 3.1578 3.1578 3.2454 3.2454 3.3889 3.3889 3.8182 3.8182 4.1054 4.1054 4.2666 4.2666 4.8667 4.8667 4.8915 4.8915 5.2363 5.2363 6.8356 6.8356 6.9292 6.9292 6.9696 6.9696 6.9805 6.9805 7.1045 7.1045 7.2503 7.2503 7.9268 7.9268 7.9991 7.9991 8.6018 8.6018 8.6279 8.6279 11.7148 11.7148 11.8360 11.8360 13.1544 13.1544 17.0384 17.0384 k = 0.2561-0.2246-0.1475 ( 3335 PWs) bands (ev): -16.1050 -16.1050 -15.6831 -15.6831 -12.8690 -12.8690 -12.8008 -12.8008 -12.7464 -12.7464 -12.6659 -12.6659 -2.2795 -2.2795 -2.1684 -2.1684 -0.9297 -0.9297 -0.6678 -0.6678 -0.4833 -0.4833 -0.3762 -0.3762 -0.1849 -0.1849 1.0191 1.0191 2.9485 2.9485 3.0971 3.0971 3.2530 3.2530 3.3631 3.3631 3.8133 3.8133 4.1155 4.1155 4.2852 4.2852 4.8351 4.8351 4.8878 4.8878 5.2275 5.2275 6.8331 6.8331 6.9347 6.9347 6.9763 6.9763 6.9807 6.9807 7.1032 7.1032 7.2472 7.2472 7.9352 7.9352 8.0102 8.0102 8.5884 8.5884 8.6151 8.6151 11.7396 11.7396 11.8349 11.8349 13.2406 13.2406 16.9491 16.9491 k = 0.2683-0.2353-0.1545 ( 3331 PWs) bands (ev): -16.0920 -16.0920 -15.6869 -15.6869 -12.8741 -12.8741 -12.8004 -12.8004 -12.7579 -12.7579 -12.6716 -12.6716 -2.2561 -2.2561 -2.1518 -2.1518 -0.9205 -0.9205 -0.6472 -0.6472 -0.4818 -0.4818 -0.3620 -0.3620 -0.1631 -0.1631 0.9870 0.9870 2.9370 2.9370 3.0369 3.0369 3.2587 3.2587 3.3379 3.3379 3.8098 3.8098 4.1254 4.1254 4.3020 4.3020 4.7992 4.7992 4.8894 4.8894 5.2199 5.2199 6.8307 6.8307 6.9398 6.9398 6.9785 6.9785 6.9858 6.9858 7.1022 7.1022 7.2442 7.2442 7.9446 7.9446 8.0219 8.0219 8.5747 8.5747 8.6021 8.6021 11.7634 11.7634 11.8345 11.8345 13.3282 13.3282 16.8579 16.8579 k = 0.2805-0.2460-0.1615 ( 3333 PWs) bands (ev): -16.0787 -16.0787 -15.6910 -15.6910 -12.8791 -12.8791 -12.8001 -12.8001 -12.7692 -12.7692 -12.6773 -12.6773 -2.2328 -2.2328 -2.1350 -2.1350 -0.9133 -0.9133 -0.6223 -0.6223 -0.4809 -0.4809 -0.3476 -0.3476 -0.1415 -0.1415 0.9549 0.9549 2.9231 2.9231 2.9778 2.9778 3.2625 3.2625 3.3134 3.3134 3.8077 3.8077 4.1346 4.1346 4.3168 4.3168 4.7633 4.7633 4.8923 4.8923 5.2133 5.2133 6.8284 6.8284 6.9446 6.9446 6.9790 6.9790 6.9929 6.9929 7.1016 7.1016 7.2416 7.2416 7.9549 7.9549 8.0339 8.0339 8.5609 8.5609 8.5890 8.5890 11.7862 11.7862 11.8347 11.8347 13.4167 13.4167 16.7654 16.7654 k = 0.2927-0.2567-0.1686 ( 3336 PWs) bands (ev): -16.0652 -16.0652 -15.6955 -15.6955 -12.8841 -12.8841 -12.8000 -12.8000 -12.7801 -12.7801 -12.6830 -12.6830 -2.2100 -2.2100 -2.1183 -2.1183 -0.9072 -0.9072 -0.5938 -0.5938 -0.4807 -0.4807 -0.3332 -0.3332 -0.1203 -0.1203 0.9226 0.9226 2.9062 2.9062 2.9209 2.9209 3.2643 3.2643 3.2901 3.2901 3.8075 3.8075 4.1431 4.1431 4.3294 4.3294 4.7281 4.7281 4.8960 4.8960 5.2078 5.2078 6.8264 6.8264 6.9485 6.9485 6.9797 6.9797 6.9998 6.9998 7.1014 7.1014 7.2395 7.2395 7.9660 7.9660 8.0462 8.0462 8.5468 8.5468 8.5757 8.5757 11.8077 11.8077 11.8356 11.8356 13.5060 13.5060 16.6717 16.6717 k = 0.3049-0.2674-0.1756 ( 3337 PWs) bands (ev): -16.0514 -16.0514 -15.7004 -15.7004 -12.8890 -12.8890 -12.8013 -12.8013 -12.7893 -12.7893 -12.6887 -12.6887 -2.1877 -2.1877 -2.1018 -2.1018 -0.9017 -0.9017 -0.5625 -0.5625 -0.4814 -0.4814 -0.3187 -0.3187 -0.0995 -0.0995 0.8901 0.8901 2.8638 2.8638 2.8892 2.8892 3.2628 3.2628 3.2695 3.2695 3.8091 3.8091 4.1504 4.1504 4.3400 4.3400 4.6939 4.6939 4.9004 4.9004 5.2031 5.2031 6.8247 6.8247 6.9514 6.9514 6.9811 6.9811 7.0063 7.0063 7.1021 7.1021 7.2382 7.2382 7.9779 7.9779 8.0589 8.0589 8.5325 8.5325 8.5623 8.5623 11.8279 11.8279 11.8372 11.8372 13.5960 13.5960 16.5773 16.5773 k = 0.3171-0.2780-0.1826 ( 3335 PWs) bands (ev): -16.0375 -16.0375 -15.7056 -15.7056 -12.8937 -12.8937 -12.8073 -12.8073 -12.7934 -12.7934 -12.6943 -12.6943 -2.1659 -2.1659 -2.0856 -2.0856 -0.8961 -0.8961 -0.5288 -0.5288 -0.4829 -0.4829 -0.3043 -0.3043 -0.0793 -0.0793 0.8572 0.8572 2.8110 2.8110 2.8681 2.8681 3.2460 3.2460 3.2638 3.2638 3.8126 3.8126 4.1565 4.1565 4.3484 4.3484 4.6610 4.6610 4.9058 4.9058 5.1991 5.1991 6.8235 6.8235 6.9528 6.9528 6.9833 6.9833 7.0119 7.0119 7.1038 7.1038 7.2377 7.2377 7.9907 7.9907 8.0718 8.0718 8.5180 8.5180 8.5486 8.5486 11.8393 11.8393 11.8467 11.8467 13.6864 13.6864 16.4822 16.4822 k = 0.3293-0.2887-0.1896 ( 3335 PWs) bands (ev): -16.0234 -16.0234 -15.7112 -15.7112 -12.8982 -12.8982 -12.8167 -12.8167 -12.7938 -12.7938 -12.6999 -12.6999 -2.1450 -2.1450 -2.0699 -2.0699 -0.8899 -0.8899 -0.4936 -0.4936 -0.4856 -0.4856 -0.2899 -0.2899 -0.0596 -0.0596 0.8240 0.8240 2.7608 2.7608 2.8451 2.8451 3.2269 3.2269 3.2604 3.2604 3.8181 3.8181 4.1609 4.1609 4.3549 4.3549 4.6294 4.6294 4.9120 4.9120 5.1955 5.1955 6.8229 6.8229 6.9527 6.9527 6.9862 6.9862 7.0164 7.0164 7.1068 7.1068 7.2381 7.2381 8.0044 8.0044 8.0849 8.0849 8.5034 8.5034 8.5345 8.5345 11.8422 11.8422 11.8637 11.8637 13.7773 13.7773 16.3866 16.3866 k = 0.3415-0.2994-0.1966 ( 3333 PWs) bands (ev): -16.0093 -16.0093 -15.7172 -15.7172 -12.9024 -12.9024 -12.8268 -12.8268 -12.7931 -12.7931 -12.7054 -12.7054 -2.1248 -2.1248 -2.0549 -2.0549 -0.8828 -0.8828 -0.4896 -0.4896 -0.4571 -0.4571 -0.2755 -0.2755 -0.0405 -0.0405 0.7902 0.7902 2.7139 2.7139 2.8203 2.8203 3.2093 3.2093 3.2557 3.2557 3.8255 3.8255 4.1636 4.1636 4.3596 4.3596 4.5994 4.5994 4.9192 4.9192 5.1921 5.1921 6.8227 6.8227 6.9511 6.9511 6.9896 6.9896 7.0198 7.0198 7.1115 7.1115 7.2391 7.2391 8.0188 8.0188 8.0982 8.0982 8.4886 8.4886 8.5201 8.5201 11.8458 11.8458 11.8792 11.8792 13.8684 13.8684 16.2908 16.2908 k = 0.3537-0.3101-0.2037 ( 3329 PWs) bands (ev): -15.9951 -15.9951 -15.7236 -15.7236 -12.9063 -12.9063 -12.8368 -12.8368 -12.7919 -12.7919 -12.7108 -12.7108 -2.1056 -2.1056 -2.0408 -2.0408 -0.8744 -0.8744 -0.4949 -0.4949 -0.4201 -0.4201 -0.2612 -0.2612 -0.0219 -0.0219 0.7557 0.7557 2.6707 2.6707 2.7940 2.7940 3.1934 3.1934 3.2498 3.2498 3.8348 3.8348 4.1644 4.1644 4.3628 4.3628 4.5710 4.5710 4.9275 4.9275 5.1887 5.1887 6.8232 6.8232 6.9481 6.9481 6.9932 6.9932 7.0222 7.0222 7.1178 7.1178 7.2408 7.2408 8.0340 8.0340 8.1115 8.1115 8.4738 8.4738 8.5053 8.5053 11.8501 11.8501 11.8928 11.8928 13.9597 13.9597 16.1949 16.1949 k = 0.3659-0.3208-0.2107 ( 3327 PWs) bands (ev): -15.9808 -15.9808 -15.7304 -15.7304 -12.9099 -12.9099 -12.8464 -12.8464 -12.7906 -12.7906 -12.7160 -12.7160 -2.0874 -2.0874 -2.0276 -2.0276 -0.8646 -0.8646 -0.5018 -0.5018 -0.3829 -0.3829 -0.2470 -0.2470 -0.0036 -0.0036 0.7205 0.7205 2.6315 2.6315 2.7665 2.7665 3.1794 3.1794 3.2428 3.2428 3.8456 3.8456 4.1631 4.1631 4.3647 4.3647 4.5444 4.5444 4.9369 4.9369 5.1850 5.1850 6.8241 6.8241 6.9440 6.9440 6.9968 6.9968 7.0236 7.0236 7.1255 7.1255 7.2429 7.2429 8.0499 8.0499 8.1250 8.1250 8.4589 8.4589 8.4901 8.4901 11.8549 11.8549 11.9047 11.9047 14.0511 14.0511 16.0989 16.0989 k = 0.3780-0.3315-0.2177 ( 3327 PWs) bands (ev): -15.9666 -15.9666 -15.7376 -15.7376 -12.9132 -12.9132 -12.8557 -12.8557 -12.7890 -12.7890 -12.7212 -12.7212 -2.0704 -2.0704 -2.0155 -2.0155 -0.8533 -0.8533 -0.5102 -0.5102 -0.3461 -0.3461 -0.2330 -0.2330 0.0146 0.0146 0.6844 0.6844 2.5967 2.5967 2.7383 2.7383 3.1673 3.1673 3.2348 3.2348 3.8581 3.8581 4.1596 4.1596 4.3656 4.3656 4.5197 4.5197 4.9474 4.9474 5.1808 5.1808 6.8256 6.8256 6.9389 6.9389 7.0002 7.0002 7.0244 7.0244 7.1344 7.1344 7.2451 7.2451 8.0666 8.0666 8.1384 8.1384 8.4440 8.4440 8.4745 8.4745 11.8603 11.8603 11.9147 11.9147 14.1426 14.1426 16.0030 16.0030 k = 0.3902-0.3422-0.2247 ( 3325 PWs) bands (ev): -15.9525 -15.9525 -15.7453 -15.7453 -12.9160 -12.9160 -12.8645 -12.8645 -12.7873 -12.7873 -12.7262 -12.7262 -2.0545 -2.0545 -2.0045 -2.0045 -0.8405 -0.8405 -0.5202 -0.5202 -0.3103 -0.3103 -0.2193 -0.2193 0.0330 0.0330 0.6475 0.6475 2.5664 2.5664 2.7096 2.7096 3.1571 3.1571 3.2261 3.2261 3.8719 3.8719 4.1541 4.1541 4.3658 4.3658 4.4969 4.4969 4.9589 4.9589 5.1758 5.1758 6.8276 6.8276 6.9329 6.9329 7.0034 7.0034 7.0248 7.0248 7.1441 7.1441 7.2472 7.2472 8.0840 8.0840 8.1519 8.1519 8.4291 8.4291 8.4584 8.4584 11.8662 11.8662 11.9230 11.9230 14.2341 14.2341 15.9073 15.9073 k = 0.4024-0.3529-0.2318 ( 3324 PWs) bands (ev): -15.9385 -15.9385 -15.7534 -15.7534 -12.9183 -12.9183 -12.8727 -12.8727 -12.7854 -12.7854 -12.7311 -12.7311 -2.0398 -2.0398 -1.9949 -1.9949 -0.8262 -0.8262 -0.5318 -0.5318 -0.2762 -0.2762 -0.2060 -0.2060 0.0521 0.0521 0.6096 0.6096 2.5408 2.5408 2.6811 2.6811 3.1488 3.1488 3.2168 3.2168 3.8870 3.8870 4.1466 4.1466 4.3656 4.3656 4.4761 4.4761 4.9714 4.9714 5.1700 5.1700 6.8302 6.8302 6.9263 6.9263 7.0064 7.0064 7.0249 7.0249 7.1545 7.1545 7.2490 7.2490 8.1020 8.1020 8.1653 8.1653 8.4142 8.4142 8.4419 8.4419 11.8725 11.8725 11.9294 11.9294 14.3256 14.3256 15.8118 15.8118 k = 0.4146-0.3636-0.2388 ( 3324 PWs) bands (ev): -15.9246 -15.9246 -15.7620 -15.7620 -12.9201 -12.9201 -12.8804 -12.8804 -12.7834 -12.7834 -12.7358 -12.7358 -2.0264 -2.0264 -1.9867 -1.9867 -0.8103 -0.8103 -0.5451 -0.5451 -0.2447 -0.2447 -0.1932 -0.1932 0.0725 0.0725 0.5708 0.5708 2.5200 2.5200 2.6530 2.6530 3.1424 3.1424 3.2071 3.2071 3.9031 3.9031 4.1370 4.1370 4.3652 4.3652 4.4572 4.4572 4.9847 4.9847 5.1632 5.1632 6.8334 6.8334 6.9193 6.9193 7.0091 7.0091 7.0248 7.0248 7.1652 7.1652 7.2502 7.2502 8.1204 8.1204 8.1786 8.1786 8.3995 8.3995 8.4250 8.4250 11.8792 11.8792 11.9340 11.9340 14.4171 14.4171 15.7166 15.7166 k = 0.4268-0.3743-0.2458 ( 3328 PWs) bands (ev): -15.9109 -15.9109 -15.7711 -15.7711 -12.9214 -12.9214 -12.8875 -12.8875 -12.7811 -12.7811 -12.7403 -12.7403 -2.0142 -2.0142 -1.9799 -1.9799 -0.7932 -0.7932 -0.5599 -0.5599 -0.2165 -0.2165 -0.1812 -0.1812 0.0949 0.0949 0.5313 0.5313 2.5040 2.5040 2.6258 2.6258 3.1379 3.1379 3.1973 3.1973 3.9201 3.9201 4.1257 4.1257 4.3649 4.3649 4.4403 4.4403 4.9986 4.9986 5.1553 5.1553 6.8370 6.8370 6.9119 6.9119 7.0114 7.0114 7.0245 7.0245 7.1759 7.1759 7.2507 7.2507 8.1392 8.1392 8.1916 8.1916 8.3849 8.3849 8.4079 8.4079 11.8861 11.8861 11.9369 11.9369 14.5087 14.5087 15.6218 15.6218 k = 0.4390-0.3850-0.2528 ( 3324 PWs) bands (ev): -15.8974 -15.8974 -15.7805 -15.7805 -12.9222 -12.9222 -12.8940 -12.8940 -12.7787 -12.7787 -12.7447 -12.7447 -2.0035 -2.0035 -1.9746 -1.9746 -0.7748 -0.7748 -0.5761 -0.5761 -0.1924 -0.1924 -0.1702 -0.1702 0.1199 0.1199 0.4910 0.4910 2.4928 2.4928 2.5999 2.5999 3.1352 3.1352 3.1876 3.1876 3.9378 3.9378 4.1127 4.1127 4.3650 4.3650 4.4254 4.4254 5.0131 5.0131 5.1463 5.1463 6.8412 6.8412 6.9045 6.9045 7.0136 7.0136 7.0242 7.0242 7.1866 7.1866 7.2503 7.2503 8.1582 8.1582 8.2042 8.2042 8.3708 8.3708 8.3908 8.3908 11.8931 11.8931 11.9383 11.9383 14.6003 14.6003 15.5273 15.5273 k = 0.4512-0.3957-0.2599 ( 3326 PWs) bands (ev): -15.8842 -15.8842 -15.7904 -15.7904 -12.9223 -12.9223 -12.8998 -12.8998 -12.7761 -12.7761 -12.7489 -12.7489 -1.9941 -1.9941 -1.9708 -1.9708 -0.7555 -0.7555 -0.5936 -0.5936 -0.1729 -0.1729 -0.1604 -0.1604 0.1479 0.1479 0.4502 0.4502 2.4863 2.4863 2.5757 2.5757 3.1343 3.1343 3.1780 3.1780 3.9560 3.9560 4.0984 4.0984 4.3656 4.3656 4.4124 4.4124 5.0279 5.0279 5.1363 5.1363 6.8458 6.8458 6.8970 6.8970 7.0154 7.0154 7.0238 7.0238 7.1969 7.1969 7.2487 7.2487 8.1770 8.1770 8.2162 8.2162 8.3571 8.3571 8.3739 8.3739 11.9001 11.9001 11.9381 11.9381 14.6920 14.6920 15.4332 15.4332 k = 0.4634-0.4064-0.2669 ( 3319 PWs) bands (ev): -15.8712 -15.8712 -15.8008 -15.8008 -12.9218 -12.9218 -12.9050 -12.9050 -12.7733 -12.7733 -12.7529 -12.7529 -1.9861 -1.9861 -1.9685 -1.9685 -0.7354 -0.7354 -0.6123 -0.6123 -0.1583 -0.1583 -0.1521 -0.1521 0.1790 0.1790 0.4092 0.4092 2.4843 2.4843 2.5535 2.5535 3.1351 3.1351 3.1690 3.1690 3.9746 3.9746 4.0827 4.0827 4.3671 4.3671 4.4013 4.4013 5.0428 5.0428 5.1252 5.1252 6.8509 6.8509 6.8896 6.8896 7.0171 7.0171 7.0233 7.0233 7.2067 7.2067 7.2461 7.2461 8.1953 8.1953 8.2269 8.2269 8.3445 8.3445 8.3579 8.3579 11.9070 11.9070 11.9366 11.9366 14.7838 14.7838 15.3394 15.3394 k = 0.4756-0.4171-0.2739 ( 3322 PWs) bands (ev): -15.8586 -15.8586 -15.8116 -15.8116 -12.9207 -12.9207 -12.9095 -12.9095 -12.7704 -12.7704 -12.7568 -12.7568 -1.9795 -1.9795 -1.9677 -1.9677 -0.7148 -0.7148 -0.6319 -0.6319 -0.1483 -0.1483 -0.1457 -0.1457 0.2130 0.2130 0.3682 0.3682 2.4866 2.4866 2.5339 2.5339 3.1375 3.1375 3.1607 3.1607 3.9933 3.9933 4.0661 4.0661 4.3695 4.3695 4.3918 4.3918 5.0577 5.0577 5.1131 5.1131 6.8564 6.8564 6.8824 6.8824 7.0186 7.0186 7.0226 7.0226 7.2157 7.2157 7.2422 7.2422 8.2121 8.2121 8.2352 8.2352 8.3338 8.3338 8.3436 8.3436 11.9135 11.9135 11.9338 11.9338 14.8757 14.8757 15.2460 15.2460 k = 0.4878-0.4278-0.2809 ( 3319 PWs) bands (ev): -15.8463 -15.8463 -15.8227 -15.8227 -12.9189 -12.9189 -12.9133 -12.9133 -12.7673 -12.7673 -12.7605 -12.7605 -1.9743 -1.9743 -1.9684 -1.9684 -0.6938 -0.6938 -0.6521 -0.6521 -0.1425 -0.1425 -0.1417 -0.1417 0.2494 0.2494 0.3276 0.3276 2.4931 2.4931 2.5170 2.5170 3.1414 3.1414 3.1532 3.1532 4.0120 4.0120 4.0486 4.0486 4.3730 4.3730 4.3841 4.3841 5.0724 5.0724 5.1003 5.1003 6.8624 6.8624 6.8754 6.8754 7.0198 7.0198 7.0218 7.0218 7.2239 7.2239 7.2372 7.2372 8.2265 8.2265 8.2389 8.2389 8.3270 8.3270 8.3325 8.3325 11.9197 11.9197 11.9300 11.9300 14.9679 14.9679 15.1530 15.1530 k = 0.5000-0.4385-0.2879 ( 3320 PWs) bands (ev): -15.8343 -15.8343 -15.8343 -15.8343 -12.9165 -12.9165 -12.9165 -12.9165 -12.7640 -12.7640 -12.7640 -12.7640 -1.9706 -1.9706 -1.9706 -1.9706 -0.6729 -0.6729 -0.6729 -0.6729 -0.1405 -0.1405 -0.1405 -0.1405 0.2878 0.2878 0.2878 0.2878 2.5033 2.5033 2.5033 2.5033 3.1467 3.1467 3.1467 3.1467 4.0305 4.0305 4.0305 4.0305 4.3778 4.3778 4.3778 4.3778 5.0866 5.0866 5.0866 5.0866 6.8687 6.8687 6.8688 6.8688 7.0208 7.0208 7.0210 7.0210 7.2310 7.2310 7.2311 7.2311 8.2360 8.2360 8.2361 8.2361 8.3264 8.3264 8.3265 8.3265 11.9252 11.9252 11.9252 11.9252 15.0603 15.0603 15.0603 15.0603 k = 0.5000-0.4385-0.2879 ( 3320 PWs) bands (ev): -15.8343 -15.8343 -15.8343 -15.8343 -12.9165 -12.9165 -12.9165 -12.9165 -12.7640 -12.7640 -12.7640 -12.7640 -1.9706 -1.9706 -1.9706 -1.9706 -0.6729 -0.6729 -0.6729 -0.6729 -0.1405 -0.1405 -0.1405 -0.1405 0.2878 0.2878 0.2878 0.2878 2.5033 2.5033 2.5033 2.5033 3.1467 3.1467 3.1467 3.1467 4.0305 4.0305 4.0305 4.0305 4.3778 4.3778 4.3778 4.3778 5.0866 5.0866 5.0866 5.0866 6.8687 6.8687 6.8688 6.8688 7.0208 7.0208 7.0210 7.0210 7.2310 7.2310 7.2311 7.2311 8.2360 8.2360 8.2361 8.2361 8.3264 8.3264 8.3265 8.3265 11.9252 11.9252 11.9252 11.9252 15.0603 15.0603 15.0603 15.0603 k = 0.5000-0.4289-0.3025 ( 3320 PWs) bands (ev): -15.8342 -15.8342 -15.8342 -15.8342 -12.9166 -12.9166 -12.9166 -12.9166 -12.7640 -12.7640 -12.7640 -12.7640 -1.9697 -1.9697 -1.9697 -1.9697 -0.6734 -0.6734 -0.6734 -0.6734 -0.1409 -0.1409 -0.1409 -0.1409 0.2882 0.2882 0.2884 0.2884 2.5031 2.5031 2.5035 2.5035 3.1457 3.1457 3.1461 3.1461 4.0284 4.0284 4.0292 4.0292 4.3791 4.3791 4.3803 4.3803 5.0871 5.0871 5.0872 5.0872 6.8676 6.8676 6.8696 6.8696 7.0181 7.0181 7.0227 7.0227 7.2279 7.2279 7.2347 7.2347 8.2294 8.2294 8.2370 8.2370 8.3252 8.3252 8.3324 8.3324 11.9260 11.9260 11.9261 11.9261 15.0609 15.0609 15.0612 15.0612 k = 0.5000-0.4193-0.3171 ( 3320 PWs) bands (ev): -15.8340 -15.8340 -15.8340 -15.8340 -12.9171 -12.9171 -12.9170 -12.9170 -12.7641 -12.7641 -12.7641 -12.7641 -1.9669 -1.9669 -1.9668 -1.9668 -0.6749 -0.6749 -0.6748 -0.6748 -0.1423 -0.1423 -0.1421 -0.1421 0.2894 0.2894 0.2899 0.2899 2.5029 2.5029 2.5039 2.5039 3.1433 3.1433 3.1439 3.1439 4.0232 4.0232 4.0247 4.0247 4.3840 4.3840 4.3864 4.3864 5.0888 5.0888 5.0890 5.0890 6.8662 6.8662 6.8701 6.8701 7.0143 7.0143 7.0234 7.0234 7.2251 7.2251 7.2386 7.2386 8.2186 8.2186 8.2318 8.2318 8.3291 8.3291 8.3414 8.3414 11.9286 11.9286 11.9288 11.9288 15.0630 15.0630 15.0636 15.0636 k = 0.5000-0.4098-0.3316 ( 3324 PWs) bands (ev): -15.8335 -15.8335 -15.8335 -15.8335 -12.9179 -12.9179 -12.9178 -12.9178 -12.7643 -12.7643 -12.7643 -12.7643 -1.9622 -1.9622 -1.9621 -1.9621 -0.6774 -0.6774 -0.6773 -0.6773 -0.1444 -0.1444 -0.1443 -0.1443 0.2916 0.2916 0.2923 0.2923 2.5028 2.5028 2.5042 2.5042 3.1393 3.1393 3.1402 3.1402 4.0149 4.0149 4.0170 4.0170 4.3924 4.3924 4.3956 4.3956 5.0916 5.0916 5.0919 5.0919 6.8645 6.8645 6.8704 6.8704 7.0096 7.0096 7.0231 7.0231 7.2227 7.2227 7.2428 7.2428 8.2054 8.2054 8.2218 8.2219 8.3368 8.3368 8.3519 8.3519 11.9329 11.9329 11.9331 11.9331 15.0666 15.0666 15.0674 15.0674 k = 0.5000-0.4002-0.3462 ( 3334 PWs) bands (ev): -15.8329 -15.8329 -15.8329 -15.8329 -12.9190 -12.9190 -12.9188 -12.9188 -12.7645 -12.7645 -12.7645 -12.7645 -1.9558 -1.9558 -1.9556 -1.9556 -0.6808 -0.6808 -0.6807 -0.6807 -0.1474 -0.1474 -0.1472 -0.1472 0.2947 0.2947 0.2956 0.2956 2.5027 2.5027 2.5045 2.5045 3.1341 3.1341 3.1353 3.1353 4.0042 4.0042 4.0067 4.0067 4.4036 4.4036 4.4076 4.4076 5.0954 5.0954 5.0957 5.0957 6.8624 6.8624 6.8703 6.8703 7.0042 7.0042 7.0217 7.0217 7.2208 7.2208 7.2471 7.2471 8.1907 8.1907 8.2089 8.2089 8.3466 8.3466 8.3630 8.3630 11.9388 11.9388 11.9391 11.9391 15.0715 15.0715 15.0727 15.0727 k = 0.5000-0.3907-0.3607 ( 3322 PWs) bands (ev): -15.8322 -15.8322 -15.8322 -15.8322 -12.9203 -12.9203 -12.9202 -12.9202 -12.7647 -12.7647 -12.7647 -12.7647 -1.9476 -1.9476 -1.9473 -1.9473 -0.6851 -0.6851 -0.6850 -0.6850 -0.1512 -0.1512 -0.1509 -0.1509 0.2987 0.2987 0.2998 0.2998 2.5025 2.5025 2.5047 2.5047 3.1278 3.1278 3.1293 3.1293 3.9914 3.9914 3.9941 3.9941 4.4172 4.4172 4.4219 4.4219 5.1003 5.1003 5.1006 5.1006 6.8602 6.8602 6.8699 6.8699 6.9982 6.9982 7.0194 7.0194 7.2195 7.2195 7.2515 7.2515 8.1752 8.1752 8.1943 8.1943 8.3574 8.3574 8.3742 8.3742 11.9462 11.9462 11.9466 11.9466 15.0780 15.0780 15.0794 15.0794 k = 0.5000-0.3811-0.3753 ( 3324 PWs) bands (ev): -15.8313 -15.8313 -15.8313 -15.8313 -12.9220 -12.9220 -12.9219 -12.9219 -12.7650 -12.7650 -12.7650 -12.7650 -1.9378 -1.9378 -1.9375 -1.9375 -0.6903 -0.6903 -0.6902 -0.6902 -0.1558 -0.1558 -0.1555 -0.1555 0.3036 0.3036 0.3049 0.3049 2.5020 2.5020 2.5046 2.5046 3.1207 3.1207 3.1225 3.1225 3.9769 3.9769 3.9796 3.9796 4.4326 4.4326 4.4377 4.4377 5.1060 5.1060 5.1063 5.1063 6.8576 6.8576 6.8692 6.8692 6.9916 6.9916 7.0163 7.0163 7.2185 7.2185 7.2561 7.2561 8.1592 8.1592 8.1785 8.1785 8.3684 8.3684 8.3851 8.3851 11.9551 11.9551 11.9556 11.9556 15.0858 15.0858 15.0875 15.0875 k = 0.5000-0.3715-0.3899 ( 3322 PWs) bands (ev): -15.8302 -15.8302 -15.8302 -15.8302 -12.9240 -12.9240 -12.9238 -12.9238 -12.7652 -12.7652 -12.7652 -12.7652 -1.9264 -1.9264 -1.9261 -1.9261 -0.6962 -0.6962 -0.6961 -0.6961 -0.1611 -0.1611 -0.1607 -0.1607 0.3093 0.3093 0.3108 0.3108 2.5013 2.5013 2.5042 2.5042 3.1131 3.1131 3.1151 3.1151 3.9611 3.9611 3.9637 3.9637 4.4494 4.4494 4.4548 4.4548 5.1125 5.1125 5.1128 5.1128 6.8547 6.8547 6.8681 6.8681 6.9847 6.9847 7.0124 7.0124 7.2180 7.2180 7.2606 7.2606 8.1430 8.1430 8.1622 8.1622 8.3793 8.3793 8.3956 8.3956 11.9653 11.9653 11.9659 11.9659 15.0951 15.0951 15.0969 15.0969 k = 0.5000-0.3620-0.4044 ( 3330 PWs) bands (ev): -15.8291 -15.8291 -15.8291 -15.8291 -12.9264 -12.9264 -12.9261 -12.9261 -12.7653 -12.7653 -12.7653 -12.7653 -1.9137 -1.9137 -1.9133 -1.9133 -0.7029 -0.7029 -0.7028 -0.7028 -0.1671 -0.1671 -0.1666 -0.1666 0.3159 0.3159 0.3176 0.3176 2.5001 2.5001 2.5033 2.5033 3.1053 3.1053 3.1076 3.1076 3.9442 3.9442 3.9466 3.9466 4.4670 4.4670 4.4725 4.4725 5.1197 5.1197 5.1199 5.1199 6.8513 6.8513 6.8665 6.8665 6.9775 6.9775 7.0080 7.0080 7.2179 7.2179 7.2651 7.2651 8.1267 8.1267 8.1457 8.1457 8.3899 8.3899 8.4055 8.4055 11.9767 11.9767 11.9773 11.9773 15.1056 15.1056 15.1077 15.1077 k = 0.5000-0.3524-0.4190 ( 3328 PWs) bands (ev): -15.8278 -15.8278 -15.8278 -15.8278 -12.9290 -12.9290 -12.9287 -12.9287 -12.7654 -12.7654 -12.7654 -12.7654 -1.8997 -1.8997 -1.8993 -1.8993 -0.7101 -0.7101 -0.7100 -0.7100 -0.1737 -0.1737 -0.1732 -0.1732 0.3232 0.3232 0.3251 0.3251 2.4983 2.4983 2.5018 2.5018 3.0976 3.0976 3.1003 3.1003 3.9264 3.9264 3.9286 3.9286 4.4851 4.4851 4.4906 4.4906 5.1274 5.1274 5.1275 5.1275 6.8477 6.8477 6.8646 6.8646 6.9702 6.9702 7.0033 7.0033 7.2181 7.2181 7.2696 7.2696 8.1107 8.1107 8.1292 8.1292 8.4000 8.4000 8.4148 8.4148 11.9890 11.9890 11.9897 11.9897 15.1175 15.1175 15.1198 15.1198 k = 0.5000-0.3429-0.4335 ( 3328 PWs) bands (ev): -15.8264 -15.8264 -15.8264 -15.8264 -12.9319 -12.9319 -12.9316 -12.9316 -12.7654 -12.7654 -12.7654 -12.7654 -1.8847 -1.8847 -1.8843 -1.8843 -0.7177 -0.7177 -0.7176 -0.7176 -0.1809 -0.1809 -0.1803 -0.1803 0.3313 0.3313 0.3334 0.3334 2.4959 2.4959 2.4996 2.4996 3.0905 3.0905 3.0934 3.0934 3.9081 3.9081 3.9099 3.9099 4.5031 4.5031 4.5085 4.5085 5.1354 5.1354 5.1356 5.1356 6.8437 6.8437 6.8621 6.8621 6.9630 6.9630 6.9984 6.9984 7.2186 7.2186 7.2740 7.2740 8.0951 8.0951 8.1129 8.1129 8.4096 8.4096 8.4234 8.4234 12.0022 12.0022 12.0029 12.0029 15.1307 15.1307 15.1332 15.1332 k = 0.5000-0.3333-0.4481 ( 3324 PWs) bands (ev): -15.8250 -15.8250 -15.8250 -15.8250 -12.9351 -12.9351 -12.9348 -12.9348 -12.7653 -12.7653 -12.7652 -12.7652 -1.8689 -1.8689 -1.8685 -1.8685 -0.7257 -0.7257 -0.7256 -0.7256 -0.1885 -0.1885 -0.1879 -0.1879 0.3401 0.3401 0.3423 0.3423 2.4926 2.4926 2.4964 2.4964 3.0841 3.0841 3.0874 3.0874 3.8894 3.8894 3.8907 3.8907 4.5209 4.5209 4.5261 4.5261 5.1436 5.1436 5.1441 5.1441 6.8393 6.8393 6.8591 6.8591 6.9560 6.9560 6.9936 6.9936 7.2194 7.2194 7.2783 7.2783 8.0800 8.0800 8.0971 8.0971 8.4187 8.4187 8.4314 8.4314 12.0160 12.0160 12.0167 12.0167 15.1451 15.1451 15.1477 15.1477 k = 0.5000-0.3237-0.4626 ( 3328 PWs) bands (ev): -15.8235 -15.8235 -15.8235 -15.8235 -12.9385 -12.9385 -12.9383 -12.9383 -12.7650 -12.7650 -12.7649 -12.7649 -1.8525 -1.8525 -1.8520 -1.8520 -0.7339 -0.7339 -0.7338 -0.7338 -0.1966 -0.1966 -0.1960 -0.1960 0.3495 0.3495 0.3519 0.3519 2.4883 2.4883 2.4923 2.4923 3.0789 3.0789 3.0825 3.0825 3.8704 3.8704 3.8713 3.8713 4.5380 4.5380 4.5430 4.5430 5.1519 5.1519 5.1526 5.1526 6.8345 6.8345 6.8555 6.8555 6.9492 6.9492 6.9889 6.9889 7.2204 7.2204 7.2826 7.2826 8.0655 8.0655 8.0819 8.0819 8.4271 8.4271 8.4387 8.4387 12.0302 12.0302 12.0310 12.0310 15.1607 15.1607 15.1635 15.1635 k = 0.5000-0.3142-0.4772 ( 3326 PWs) bands (ev): -15.8220 -15.8220 -15.8219 -15.8219 -12.9422 -12.9422 -12.9419 -12.9419 -12.7645 -12.7645 -12.7644 -12.7644 -1.8358 -1.8358 -1.8353 -1.8353 -0.7421 -0.7421 -0.7420 -0.7420 -0.2051 -0.2051 -0.2044 -0.2044 0.3595 0.3595 0.3621 0.3621 2.4831 2.4831 2.4871 2.4871 3.0749 3.0749 3.0790 3.0790 3.8513 3.8513 3.8518 3.8518 4.5541 4.5541 4.5589 4.5589 5.1602 5.1602 5.1612 5.1612 6.8295 6.8295 6.8515 6.8515 6.9429 6.9429 6.9847 6.9847 7.2216 7.2216 7.2867 7.2867 8.0518 8.0518 8.0674 8.0674 8.4348 8.4348 8.4452 8.4452 12.0447 12.0447 12.0455 12.0455 15.1774 15.1774 15.1804 15.1804 k = 0.5000-0.3046-0.4918 ( 3316 PWs) bands (ev): -15.8204 -15.8204 -15.8204 -15.8204 -12.9461 -12.9461 -12.9458 -12.9458 -12.7638 -12.7638 -12.7637 -12.7637 -1.8190 -1.8190 -1.8186 -1.8186 -0.7500 -0.7500 -0.7500 -0.7500 -0.2138 -0.2138 -0.2131 -0.2131 0.3700 0.3700 0.3727 0.3727 2.4769 2.4769 2.4808 2.4808 3.0725 3.0725 3.0770 3.0770 3.8322 3.8322 3.8323 3.8323 4.5691 4.5691 4.5735 4.5735 5.1683 5.1683 5.1697 5.1697 6.8243 6.8243 6.8470 6.8470 6.9372 6.9372 6.9809 6.9809 7.2229 7.2229 7.2908 7.2908 8.0391 8.0391 8.0537 8.0537 8.4419 8.4419 8.4511 8.4511 12.0592 12.0592 12.0599 12.0599 15.1953 15.1953 15.1984 15.1984 k = 0.5000-0.2951-0.5063 ( 3316 PWs) bands (ev): -15.8189 -15.8189 -15.8189 -15.8189 -12.9501 -12.9501 -12.9498 -12.9498 -12.7630 -12.7630 -12.7628 -12.7628 -1.8026 -1.8026 -1.8021 -1.8021 -0.7575 -0.7575 -0.7575 -0.7575 -0.2228 -0.2228 -0.2220 -0.2220 0.3810 0.3810 0.3838 0.3838 2.4696 2.4696 2.4735 2.4735 3.0718 3.0718 3.0767 3.0767 3.8130 3.8130 3.8134 3.8134 4.5826 4.5826 4.5867 4.5867 5.1762 5.1762 5.1779 5.1779 6.8189 6.8189 6.8420 6.8420 6.9319 6.9319 6.9777 6.9777 7.2245 7.2245 7.2948 7.2948 8.0273 8.0273 8.0410 8.0410 8.4482 8.4482 8.4562 8.4562 12.0734 12.0734 12.0742 12.0742 15.2144 15.2144 15.2176 15.2176 k = 0.5000-0.2855-0.5209 ( 3312 PWs) bands (ev): -15.8174 -15.8174 -15.8174 -15.8174 -12.9542 -12.9542 -12.9539 -12.9539 -12.7619 -12.7619 -12.7618 -12.7618 -1.7868 -1.7868 -1.7863 -1.7863 -0.7644 -0.7644 -0.7644 -0.7644 -0.2318 -0.2318 -0.2310 -0.2310 0.3922 0.3922 0.3952 0.3952 2.4615 2.4615 2.4652 2.4652 3.0728 3.0728 3.0782 3.0782 3.7941 3.7941 3.7949 3.7949 4.5945 4.5945 4.5982 4.5982 5.1837 5.1837 5.1857 5.1857 6.8133 6.8133 6.8366 6.8366 6.9273 6.9273 6.9751 6.9751 7.2261 7.2261 7.2987 7.2987 8.0166 8.0166 8.0294 8.0294 8.4539 8.4539 8.4606 8.4606 12.0873 12.0873 12.0880 12.0880 15.2345 15.2345 15.2378 15.2378 k = 0.5000-0.2759-0.5354 ( 3312 PWs) bands (ev): -15.8160 -15.8160 -15.8159 -15.8159 -12.9584 -12.9584 -12.9581 -12.9581 -12.7607 -12.7607 -12.7605 -12.7605 -1.7719 -1.7719 -1.7715 -1.7715 -0.7704 -0.7704 -0.7704 -0.7704 -0.2409 -0.2409 -0.2401 -0.2401 0.4037 0.4037 0.4068 0.4068 2.4526 2.4526 2.4561 2.4561 3.0755 3.0755 3.0815 3.0815 3.7757 3.7757 3.7769 3.7769 4.6045 4.6045 4.6079 4.6079 5.1908 5.1908 5.1931 5.1931 6.8076 6.8076 6.8309 6.8309 6.9234 6.9234 6.9733 6.9733 7.2278 7.2278 7.3025 7.3025 8.0070 8.0070 8.0190 8.0190 8.4588 8.4588 8.4643 8.4643 12.1005 12.1005 12.1012 12.1012 15.2556 15.2556 15.2590 15.2590 k = 0.5000-0.2664-0.5500 ( 3318 PWs) bands (ev): -15.8146 -15.8146 -15.8146 -15.8146 -12.9626 -12.9626 -12.9622 -12.9622 -12.7593 -12.7593 -12.7591 -12.7591 -1.7585 -1.7585 -1.7581 -1.7581 -0.7753 -0.7753 -0.7753 -0.7753 -0.2500 -0.2500 -0.2492 -0.2492 0.4153 0.4153 0.4186 0.4186 2.4431 2.4431 2.4464 2.4464 3.0800 3.0800 3.0864 3.0864 3.7580 3.7580 3.7596 3.7596 4.6127 4.6127 4.6156 4.6156 5.1972 5.1972 5.1999 5.1999 6.8019 6.8019 6.8249 6.8249 6.9202 6.9202 6.9721 6.9721 7.2296 7.2296 7.3062 7.3062 7.9987 7.9987 8.0097 8.0097 8.4630 8.4630 8.4673 8.4673 12.1129 12.1129 12.1136 12.1136 15.2779 15.2779 15.2813 15.2813 k = 0.5000-0.2568-0.5645 ( 3324 PWs) bands (ev): -15.8134 -15.8134 -15.8134 -15.8134 -12.9667 -12.9667 -12.9663 -12.9663 -12.7576 -12.7576 -12.7574 -12.7574 -1.7467 -1.7467 -1.7464 -1.7464 -0.7789 -0.7789 -0.7788 -0.7788 -0.2589 -0.2589 -0.2580 -0.2580 0.4269 0.4269 0.4303 0.4303 2.4332 2.4332 2.4362 2.4362 3.0861 3.0861 3.0931 3.0931 3.7410 3.7410 3.7430 3.7430 4.6188 4.6188 4.6212 4.6212 5.2031 5.2031 5.2060 5.2060 6.7964 6.7964 6.8189 6.8189 6.9178 6.9178 6.9717 6.9717 7.2315 7.2315 7.3098 7.3098 7.9916 7.9916 8.0018 8.0018 8.4665 8.4665 8.4695 8.4695 12.1243 12.1243 12.1249 12.1249 15.3011 15.3011 15.3046 15.3046 k = 0.5000-0.2472-0.5791 ( 3324 PWs) bands (ev): -15.8123 -15.8123 -15.8123 -15.8123 -12.9707 -12.9707 -12.9703 -12.9703 -12.7558 -12.7558 -12.7556 -12.7556 -1.7370 -1.7370 -1.7368 -1.7368 -0.7810 -0.7810 -0.7808 -0.7808 -0.2675 -0.2675 -0.2667 -0.2667 0.4384 0.4384 0.4419 0.4419 2.4232 2.4232 2.4260 2.4260 3.0937 3.0937 3.1012 3.1012 3.7250 3.7250 3.7274 3.7274 4.6227 4.6227 4.6247 4.6247 5.2083 5.2083 5.2114 5.2114 6.7910 6.7910 6.8128 6.8128 6.9162 6.9162 6.9721 6.9721 7.2334 7.2334 7.3133 7.3133 7.9857 7.9857 7.9952 7.9952 8.4694 8.4694 8.4711 8.4711 12.1344 12.1344 12.1351 12.1351 15.3254 15.3254 15.3288 15.3288 k = 0.5000-0.2377-0.5937 ( 3320 PWs) bands (ev): -15.8114 -15.8114 -15.8114 -15.8114 -12.9745 -12.9745 -12.9741 -12.9741 -12.7539 -12.7539 -12.7536 -12.7536 -1.7296 -1.7296 -1.7295 -1.7295 -0.7813 -0.7813 -0.7810 -0.7810 -0.2759 -0.2759 -0.2750 -0.2750 0.4496 0.4496 0.4532 0.4532 2.4134 2.4134 2.4159 2.4159 3.1026 3.1026 3.1107 3.1107 3.7101 3.7101 3.7129 3.7129 4.6246 4.6246 4.6261 4.6261 5.2127 5.2127 5.2160 5.2160 6.7858 6.7858 6.8069 6.8069 6.9154 6.9154 6.9731 6.9731 7.2354 7.2354 7.3166 7.3166 7.9812 7.9812 7.9899 7.9899 8.4715 8.4715 8.4720 8.4720 12.1432 12.1432 12.1438 12.1438 15.3506 15.3506 15.3541 15.3541 k = 0.5000-0.2281-0.6082 ( 3318 PWs) bands (ev): -15.8106 -15.8106 -15.8106 -15.8106 -12.9781 -12.9781 -12.9777 -12.9777 -12.7517 -12.7517 -12.7514 -12.7514 -1.7249 -1.7249 -1.7249 -1.7249 -0.7798 -0.7798 -0.7795 -0.7795 -0.2838 -0.2838 -0.2829 -0.2829 0.4604 0.4604 0.4641 0.4641 2.4040 2.4040 2.4062 2.4062 3.1127 3.1127 3.1213 3.1213 3.6965 3.6965 3.6996 3.6996 4.6243 4.6243 4.6254 4.6254 5.2163 5.2163 5.2197 5.2197 6.7809 6.7809 6.8011 6.8011 6.9153 6.9153 6.9748 6.9748 7.2372 7.2372 7.3198 7.3198 7.9780 7.9780 7.9860 7.9860 8.4723 8.4723 8.4730 8.4730 12.1505 12.1505 12.1510 12.1510 15.3768 15.3768 15.3802 15.3802 k = 0.5000-0.2186-0.6228 ( 3318 PWs) bands (ev): -15.8101 -15.8101 -15.8101 -15.8101 -12.9814 -12.9814 -12.9810 -12.9810 -12.7495 -12.7495 -12.7491 -12.7491 -1.7231 -1.7231 -1.7230 -1.7230 -0.7765 -0.7765 -0.7762 -0.7762 -0.2911 -0.2911 -0.2903 -0.2903 0.4706 0.4706 0.4744 0.4744 2.3954 2.3954 2.3972 2.3972 3.1238 3.1238 3.1329 3.1329 3.6843 3.6843 3.6877 3.6877 4.6220 4.6220 4.6227 4.6227 5.2191 5.2191 5.2225 5.2225 6.7763 6.7763 6.7956 6.7956 6.9161 6.9161 6.9770 6.9770 7.2391 7.2391 7.3228 7.3228 7.9760 7.9760 7.9834 7.9834 8.4719 8.4719 8.4738 8.4738 12.1560 12.1560 12.1565 12.1565 15.4038 15.4038 15.4072 15.4072 k = 0.5000-0.2090-0.6373 ( 3314 PWs) bands (ev): -15.8098 -15.8098 -15.8098 -15.8098 -12.9843 -12.9843 -12.9839 -12.9839 -12.7470 -12.7470 -12.7467 -12.7467 -1.7243 -1.7243 -1.7241 -1.7241 -0.7714 -0.7714 -0.7710 -0.7710 -0.2978 -0.2978 -0.2970 -0.2970 0.4800 0.4800 0.4839 0.4839 2.3878 2.3878 2.3893 2.3893 3.1357 3.1357 3.1453 3.1453 3.6737 3.6737 3.6773 3.6773 4.6178 4.6178 4.6180 4.6180 5.2209 5.2209 5.2243 5.2243 6.7720 6.7720 6.7905 6.7905 6.9175 6.9175 6.9798 6.9798 7.2408 7.2408 7.3256 7.3256 7.9752 7.9752 7.9822 7.9822 8.4710 8.4710 8.4740 8.4740 12.1598 12.1598 12.1602 12.1602 15.4316 15.4316 15.4348 15.4348 k = 0.5000-0.1994-0.6519 ( 3318 PWs) bands (ev): -15.8097 -15.8097 -15.8097 -15.8097 -12.9869 -12.9869 -12.9865 -12.9865 -12.7445 -12.7445 -12.7442 -12.7442 -1.7285 -1.7285 -1.7282 -1.7282 -0.7646 -0.7646 -0.7642 -0.7642 -0.3038 -0.3038 -0.3031 -0.3031 0.4886 0.4886 0.4926 0.4926 2.3815 2.3815 2.3827 2.3827 3.1481 3.1481 3.1583 3.1583 3.6647 3.6647 3.6687 3.6687 4.6115 4.6115 4.6117 4.6117 5.2217 5.2217 5.2250 5.2250 6.7681 6.7681 6.7857 6.7857 6.9197 6.9197 6.9830 6.9830 7.2423 7.2423 7.3281 7.3281 7.9756 7.9756 7.9821 7.9821 8.4694 8.4694 8.4736 8.4736 12.1615 12.1615 12.1619 12.1619 15.4599 15.4599 15.4630 15.4630 k = 0.5000-0.1899-0.6664 ( 3312 PWs) bands (ev): -15.8099 -15.8099 -15.8099 -15.8099 -12.9890 -12.9890 -12.9886 -12.9886 -12.7419 -12.7419 -12.7415 -12.7415 -1.7357 -1.7357 -1.7354 -1.7354 -0.7563 -0.7563 -0.7558 -0.7558 -0.3090 -0.3090 -0.3082 -0.3082 0.4962 0.4962 0.5002 0.5002 2.3768 2.3768 2.3776 2.3776 3.1609 3.1609 3.1715 3.1715 3.6577 3.6577 3.6618 3.6618 4.6034 4.6034 4.6040 4.6040 5.2214 5.2214 5.2247 5.2247 6.7646 6.7646 6.7815 6.7815 6.9226 6.9226 6.9868 6.9868 7.2437 7.2437 7.3304 7.3304 7.9771 7.9771 7.9833 7.9833 8.4673 8.4673 8.4726 8.4726 12.1613 12.1613 12.1616 12.1616 15.4885 15.4885 15.4914 15.4914 k = 0.5000-0.1803-0.6810 ( 3312 PWs) bands (ev): -15.8104 -15.8104 -15.8104 -15.8104 -12.9906 -12.9906 -12.9902 -12.9902 -12.7392 -12.7392 -12.7387 -12.7387 -1.7459 -1.7459 -1.7454 -1.7454 -0.7468 -0.7468 -0.7463 -0.7463 -0.3132 -0.3132 -0.3125 -0.3125 0.5025 0.5025 0.5066 0.5066 2.3740 2.3740 2.3745 2.3745 3.1739 3.1739 3.1849 3.1849 3.6526 3.6526 3.6570 3.6570 4.5938 4.5938 4.5949 4.5949 5.2200 5.2200 5.2231 5.2231 6.7616 6.7616 6.7778 6.7778 6.9261 6.9261 6.9908 6.9908 7.2448 7.2448 7.3323 7.3323 7.9798 7.9798 7.9857 7.9857 8.4648 8.4648 8.4711 8.4711 12.1589 12.1589 12.1591 12.1591 15.5168 15.5168 15.5196 15.5196 k = 0.5000-0.1708-0.6956 ( 3314 PWs) bands (ev): -15.8112 -15.8112 -15.8112 -15.8112 -12.9917 -12.9917 -12.9913 -12.9913 -12.7363 -12.7363 -12.7359 -12.7359 -1.7589 -1.7589 -1.7583 -1.7583 -0.7364 -0.7364 -0.7358 -0.7358 -0.3165 -0.3165 -0.3157 -0.3157 0.5076 0.5076 0.5118 0.5118 2.3732 2.3732 2.3734 2.3734 3.1868 3.1868 3.1983 3.1983 3.6496 3.6496 3.6543 3.6543 4.5831 4.5831 4.5845 4.5845 5.2175 5.2175 5.2203 5.2203 6.7590 6.7590 6.7746 6.7746 6.9301 6.9301 6.9951 6.9951 7.2456 7.2456 7.3339 7.3339 7.9834 7.9834 7.9891 7.9891 8.4617 8.4617 8.4691 8.4691 12.1544 12.1544 12.1545 12.1545 15.5443 15.5443 15.5468 15.5468 k = 0.5000-0.1612-0.7101 ( 3314 PWs) bands (ev): -15.8123 -15.8123 -15.8123 -15.8123 -12.9922 -12.9922 -12.9918 -12.9918 -12.7335 -12.7335 -12.7330 -12.7330 -1.7744 -1.7744 -1.7737 -1.7737 -0.7254 -0.7254 -0.7248 -0.7248 -0.3186 -0.3186 -0.3179 -0.3179 0.5113 0.5113 0.5155 0.5155 2.3746 2.3746 2.3748 2.3748 3.1995 3.1995 3.2113 3.2113 3.6488 3.6488 3.6538 3.6538 4.5714 4.5714 4.5732 4.5732 5.2138 5.2138 5.2163 5.2163 6.7570 6.7570 6.7721 6.7721 6.9346 6.9346 6.9997 6.9997 7.2461 7.2461 7.3350 7.3350 7.9880 7.9880 7.9936 7.9936 8.4583 8.4583 8.4667 8.4667 12.1476 12.1476 12.1476 12.1476 15.5699 15.5699 15.5720 15.5720 k = 0.5000-0.1516-0.7247 ( 3314 PWs) bands (ev): -15.8137 -15.8137 -15.8137 -15.8137 -12.9921 -12.9921 -12.9916 -12.9916 -12.7305 -12.7305 -12.7301 -12.7301 -1.7924 -1.7924 -1.7916 -1.7916 -0.7141 -0.7141 -0.7135 -0.7135 -0.3196 -0.3196 -0.3189 -0.3189 0.5135 0.5135 0.5177 0.5177 2.3782 2.3782 2.3787 2.3787 3.2117 3.2117 3.2239 3.2239 3.6504 3.6504 3.6557 3.6557 4.5591 4.5591 4.5612 4.5612 5.2088 5.2088 5.2110 5.2110 6.7554 6.7554 6.7702 6.7702 6.9395 6.9395 7.0044 7.0044 7.2461 7.2461 7.3357 7.3357 7.9934 7.9934 7.9989 7.9989 8.4545 8.4545 8.4639 8.4639 12.1385 12.1385 12.1387 12.1387 15.5923 15.5923 15.5940 15.5940 k = 0.7844-0.0228-0.4271 ( 3314 PWs) bands (ev): -15.8137 -15.8137 -15.8137 -15.8137 -12.9921 -12.9921 -12.9916 -12.9916 -12.7305 -12.7305 -12.7301 -12.7301 -1.7924 -1.7924 -1.7916 -1.7916 -0.7141 -0.7141 -0.7135 -0.7135 -0.3196 -0.3196 -0.3189 -0.3189 0.5135 0.5135 0.5177 0.5177 2.3782 2.3782 2.3787 2.3787 3.2117 3.2117 3.2239 3.2239 3.6504 3.6504 3.6557 3.6557 4.5591 4.5591 4.5612 4.5612 5.2088 5.2088 5.2110 5.2110 6.7554 6.7554 6.7702 6.7702 6.9395 6.9395 7.0044 7.0044 7.2461 7.2461 7.3357 7.3357 7.9934 7.9934 7.9989 7.9989 8.4545 8.4545 8.4639 8.4639 12.1385 12.1385 12.1387 12.1387 15.5923 15.5923 15.5940 15.5940 k = 0.7771-0.0164-0.4123 ( 3308 PWs) bands (ev): -15.8155 -15.8155 -15.8155 -15.8155 -12.9913 -12.9913 -12.9909 -12.9909 -12.7275 -12.7275 -12.7271 -12.7271 -1.8129 -1.8129 -1.8120 -1.8120 -0.7026 -0.7026 -0.7020 -0.7020 -0.3195 -0.3195 -0.3188 -0.3188 0.5141 0.5141 0.5184 0.5184 2.3845 2.3845 2.3854 2.3854 3.2236 3.2236 3.2360 3.2360 3.6545 3.6545 3.6600 3.6600 4.5462 4.5462 4.5486 4.5486 5.2025 5.2025 5.2043 5.2043 6.7543 6.7543 6.7689 6.7689 6.9448 6.9448 7.0093 7.0093 7.2458 7.2458 7.3359 7.3359 7.9997 7.9997 8.0053 8.0053 8.4503 8.4503 8.4608 8.4608 12.1271 12.1271 12.1273 12.1273 15.6099 15.6099 15.6111 15.6111 k = 0.7698-0.0100-0.3976 ( 3306 PWs) bands (ev): -15.8176 -15.8176 -15.8176 -15.8176 -12.9899 -12.9899 -12.9895 -12.9895 -12.7245 -12.7245 -12.7240 -12.7240 -1.8354 -1.8354 -1.8344 -1.8344 -0.6915 -0.6915 -0.6909 -0.6909 -0.3182 -0.3182 -0.3176 -0.3176 0.5132 0.5132 0.5175 0.5175 2.3936 2.3936 2.3947 2.3947 3.2347 3.2347 3.2473 3.2473 3.6610 3.6610 3.6668 3.6668 4.5331 4.5331 4.5359 4.5359 5.1948 5.1948 5.1962 5.1962 6.7538 6.7538 6.7683 6.7683 6.9505 6.9505 7.0143 7.0143 7.2449 7.2449 7.3356 7.3356 8.0067 8.0067 8.0123 8.0123 8.4459 8.4459 8.4573 8.4573 12.1133 12.1133 12.1136 12.1136 15.6205 15.6205 15.6211 15.6211 k = 0.7625-0.0036-0.3828 ( 3308 PWs) bands (ev): -15.8201 -15.8201 -15.8200 -15.8200 -12.9879 -12.9879 -12.9874 -12.9874 -12.7214 -12.7214 -12.7209 -12.7209 -1.8597 -1.8597 -1.8586 -1.8586 -0.6809 -0.6809 -0.6804 -0.6804 -0.3159 -0.3159 -0.3153 -0.3153 0.5107 0.5107 0.5150 0.5150 2.4054 2.4054 2.4069 2.4069 3.2449 3.2449 3.2577 3.2577 3.6700 3.6700 3.6762 3.6762 4.5203 4.5203 4.5233 4.5233 5.1857 5.1857 5.1867 5.1867 6.7537 6.7537 6.7684 6.7684 6.9564 6.9564 7.0193 7.0193 7.2435 7.2435 7.3347 7.3347 8.0143 8.0143 8.0201 8.0201 8.4412 8.4412 8.4535 8.4535 12.0973 12.0973 12.0978 12.0978 15.6228 15.6228 15.6228 15.6228 k = 0.7552 0.0028-0.3680 ( 3306 PWs) bands (ev): -15.8229 -15.8229 -15.8228 -15.8228 -12.9851 -12.9851 -12.9846 -12.9846 -12.7184 -12.7184 -12.7179 -12.7179 -1.8856 -1.8856 -1.8844 -1.8844 -0.6710 -0.6710 -0.6705 -0.6705 -0.3127 -0.3127 -0.3121 -0.3121 0.5067 0.5067 0.5110 0.5110 2.4199 2.4199 2.4217 2.4217 3.2542 3.2542 3.2671 3.2671 3.6815 3.6815 3.6880 3.6880 4.5079 4.5079 4.5111 4.5111 5.1753 5.1753 5.1758 5.1758 6.7543 6.7543 6.7691 6.7691 6.9624 6.9624 7.0243 7.0243 7.2415 7.2415 7.3332 7.3332 8.0225 8.0225 8.0284 8.0284 8.4364 8.4364 8.4496 8.4496 12.0791 12.0791 12.0797 12.0797 15.6161 15.6161 15.6166 15.6166 k = 0.7479 0.0092-0.3533 ( 3306 PWs) bands (ev): -15.8260 -15.8260 -15.8259 -15.8259 -12.9816 -12.9816 -12.9811 -12.9811 -12.7153 -12.7153 -12.7148 -12.7148 -1.9128 -1.9128 -1.9116 -1.9116 -0.6619 -0.6619 -0.6614 -0.6614 -0.3088 -0.3088 -0.3081 -0.3081 0.5013 0.5013 0.5056 0.5056 2.4371 2.4371 2.4392 2.4392 3.2625 3.2625 3.2755 3.2755 3.6954 3.6954 3.7022 3.7022 4.4961 4.4961 4.4996 4.4996 5.1636 5.1636 5.1636 5.1636 6.7553 6.7553 6.7705 6.7705 6.9685 6.9685 7.0293 7.0293 7.2390 7.2390 7.3311 7.3311 8.0310 8.0310 8.0371 8.0371 8.4314 8.4314 8.4456 8.4456 12.0589 12.0589 12.0596 12.0596 15.6020 15.6020 15.6028 15.6028 k = 0.7406 0.0156-0.3385 ( 3308 PWs) bands (ev): -15.8294 -15.8294 -15.8294 -15.8294 -12.9775 -12.9775 -12.9770 -12.9770 -12.7123 -12.7123 -12.7118 -12.7118 -1.9412 -1.9412 -1.9399 -1.9399 -0.6536 -0.6536 -0.6532 -0.6532 -0.3043 -0.3043 -0.3037 -0.3037 0.4947 0.4947 0.4990 0.4990 2.4569 2.4569 2.4593 2.4593 3.2698 3.2698 3.2828 3.2828 3.7116 3.7116 3.7187 3.7187 4.4854 4.4854 4.4891 4.4891 5.1500 5.1500 5.1505 5.1505 6.7569 6.7569 6.7725 6.7725 6.9747 6.9747 7.0341 7.0341 7.2359 7.2359 7.3285 7.3285 8.0400 8.0400 8.0462 8.0462 8.4264 8.4264 8.4414 8.4414 12.0366 12.0366 12.0375 12.0375 15.5818 15.5818 15.5829 15.5829 k = 0.7333 0.0220-0.3237 ( 3310 PWs) bands (ev): -15.8332 -15.8332 -15.8331 -15.8331 -12.9726 -12.9726 -12.9721 -12.9721 -12.7093 -12.7093 -12.7088 -12.7088 -1.9706 -1.9706 -1.9693 -1.9693 -0.6461 -0.6461 -0.6458 -0.6458 -0.2997 -0.2997 -0.2991 -0.2991 0.4870 0.4870 0.4912 0.4912 2.4791 2.4791 2.4817 2.4817 3.2760 3.2760 3.2890 3.2890 3.7299 3.7299 3.7374 3.7374 4.4759 4.4759 4.4797 4.4797 5.1351 5.1351 5.1362 5.1362 6.7590 6.7590 6.7752 6.7752 6.9808 6.9808 7.0389 7.0389 7.2322 7.2322 7.3252 7.3252 8.0492 8.0492 8.0556 8.0556 8.4214 8.4214 8.4372 8.4372 12.0125 12.0125 12.0134 12.0134 15.5570 15.5570 15.5582 15.5582 k = 0.7260 0.0284-0.3090 ( 3312 PWs) bands (ev): -15.8372 -15.8372 -15.8371 -15.8371 -12.9672 -12.9672 -12.9666 -12.9666 -12.7064 -12.7064 -12.7058 -12.7058 -2.0008 -2.0008 -1.9994 -1.9994 -0.6394 -0.6394 -0.6390 -0.6390 -0.2951 -0.2951 -0.2945 -0.2945 0.4784 0.4784 0.4827 0.4827 2.5035 2.5035 2.5064 2.5064 3.2813 3.2813 3.2941 3.2941 3.7502 3.7502 3.7581 3.7581 4.4677 4.4677 4.4716 4.4716 5.1191 5.1191 5.1206 5.1206 6.7616 6.7616 6.7785 6.7785 6.9868 6.9868 7.0435 7.0435 7.2280 7.2280 7.3214 7.3214 8.0585 8.0585 8.0652 8.0652 8.4164 8.4164 8.4329 8.4329 11.9866 11.9866 11.9877 11.9877 15.5285 15.5285 15.5297 15.5297 k = 0.7187 0.0347-0.2942 ( 3306 PWs) bands (ev): -15.8416 -15.8416 -15.8415 -15.8415 -12.9610 -12.9610 -12.9605 -12.9605 -12.7035 -12.7035 -12.7030 -12.7030 -2.0317 -2.0317 -2.0302 -2.0302 -0.6332 -0.6332 -0.6329 -0.6329 -0.2909 -0.2909 -0.2903 -0.2903 0.4693 0.4693 0.4735 0.4735 2.5299 2.5299 2.5330 2.5330 3.2855 3.2855 3.2982 3.2982 3.7725 3.7725 3.7807 3.7807 4.4610 4.4610 4.4650 4.4650 5.1019 5.1019 5.1039 5.1039 6.7647 6.7647 6.7823 6.7823 6.9928 6.9928 7.0479 7.0479 7.2233 7.2233 7.3170 7.3170 8.0681 8.0681 8.0749 8.0749 8.4115 8.4115 8.4288 8.4288 11.9591 11.9591 11.9603 11.9603 15.4971 15.4971 15.4984 15.4984 k = 0.7114 0.0411-0.2794 ( 3306 PWs) bands (ev): -15.8461 -15.8461 -15.8460 -15.8460 -12.9543 -12.9543 -12.9537 -12.9537 -12.7007 -12.7007 -12.7001 -12.7001 -2.0630 -2.0630 -2.0615 -2.0615 -0.6276 -0.6276 -0.6274 -0.6274 -0.2873 -0.2873 -0.2868 -0.2868 0.4597 0.4597 0.4638 0.4638 2.5580 2.5580 2.5614 2.5614 3.2887 3.2887 3.3012 3.3012 3.7965 3.7965 3.8050 3.8050 4.4560 4.4560 4.4600 4.4600 5.0836 5.0836 5.0862 5.0862 6.7683 6.7683 6.7868 6.7868 6.9986 6.9986 7.0522 7.0522 7.2181 7.2181 7.3121 7.3121 8.0777 8.0777 8.0847 8.0847 8.4066 8.4066 8.4246 8.4246 11.9300 11.9300 11.9314 11.9314 15.4635 15.4635 15.4647 15.4647 k = 0.7042 0.0475-0.2647 ( 3310 PWs) bands (ev): -15.8510 -15.8510 -15.8508 -15.8508 -12.9469 -12.9469 -12.9464 -12.9464 -12.6979 -12.6979 -12.6974 -12.6974 -2.0947 -2.0947 -2.0932 -2.0932 -0.6224 -0.6224 -0.6222 -0.6222 -0.2846 -0.2846 -0.2841 -0.2841 0.4499 0.4499 0.4540 0.4540 2.5877 2.5877 2.5912 2.5912 3.2910 3.2910 3.3033 3.3033 3.8221 3.8221 3.8309 3.8309 4.4526 4.4526 4.4566 4.4566 5.0644 5.0644 5.0676 5.0676 6.7724 6.7724 6.7918 6.7918 7.0041 7.0041 7.0561 7.0561 7.2123 7.2123 7.3067 7.3067 8.0872 8.0872 8.0945 8.0945 8.4019 8.4019 8.4204 8.4204 11.8997 11.8997 11.9012 11.9012 15.4278 15.4278 15.4290 15.4290 k = 0.6969 0.0539-0.2499 ( 3306 PWs) bands (ev): -15.8560 -15.8560 -15.8559 -15.8559 -12.9391 -12.9391 -12.9385 -12.9385 -12.6953 -12.6953 -12.6947 -12.6947 -2.1266 -2.1266 -2.1250 -2.1250 -0.6175 -0.6175 -0.6173 -0.6173 -0.2831 -0.2831 -0.2826 -0.2826 0.4402 0.4402 0.4442 0.4442 2.6186 2.6186 2.6223 2.6223 3.2924 3.2924 3.3044 3.3044 3.8492 3.8492 3.8582 3.8582 4.4510 4.4510 4.4548 4.4548 5.0445 5.0445 5.0482 5.0482 6.7770 6.7770 6.7973 6.7973 7.0094 7.0094 7.0599 7.0599 7.2062 7.2062 7.3009 7.3009 8.0968 8.0968 8.1043 8.1043 8.3972 8.3972 8.4163 8.4163 11.8682 11.8682 11.8698 11.8698 15.3905 15.3905 15.3916 15.3916 k = 0.6896 0.0603-0.2351 ( 3306 PWs) bands (ev): -15.8612 -15.8612 -15.8611 -15.8611 -12.9307 -12.9307 -12.9302 -12.9302 -12.6927 -12.6927 -12.6922 -12.6922 -2.1586 -2.1586 -2.1570 -2.1570 -0.6128 -0.6128 -0.6127 -0.6127 -0.2828 -0.2828 -0.2823 -0.2823 0.4307 0.4307 0.4347 0.4347 2.6505 2.6505 2.6543 2.6543 3.2929 3.2929 3.3046 3.3046 3.8777 3.8777 3.8869 3.8869 4.4509 4.4509 4.4547 4.4547 5.0240 5.0240 5.0282 5.0282 6.7820 6.7820 6.8033 6.8033 7.0144 7.0144 7.0634 7.0634 7.1997 7.1997 7.2947 7.2947 8.1064 8.1064 8.1140 8.1140 8.3927 8.3927 8.4123 8.4123 11.8357 11.8357 11.8374 11.8374 15.3518 15.3518 15.3528 15.3528 k = 0.6823 0.0667-0.2204 ( 3304 PWs) bands (ev): -15.8665 -15.8665 -15.8664 -15.8664 -12.9219 -12.9219 -12.9213 -12.9213 -12.6903 -12.6903 -12.6898 -12.6898 -2.1906 -2.1906 -2.1889 -2.1889 -0.6082 -0.6082 -0.6082 -0.6082 -0.2839 -0.2839 -0.2835 -0.2835 0.4217 0.4217 0.4256 0.4256 2.6831 2.6831 2.6870 2.6870 3.2926 3.2926 3.3040 3.3040 3.9074 3.9074 3.9168 3.9168 4.4523 4.4523 4.4559 4.4559 5.0031 5.0031 5.0078 5.0078 6.7875 6.7875 6.8098 6.8098 7.0190 7.0190 7.0666 7.0666 7.1929 7.1929 7.2882 7.2882 8.1158 8.1158 8.1236 8.1236 8.3883 8.3883 8.4082 8.4082 11.8023 11.8023 11.8042 11.8042 15.3119 15.3119 15.3127 15.3127 k = 0.6750 0.0731-0.2056 ( 3306 PWs) bands (ev): -15.8720 -15.8720 -15.8719 -15.8719 -12.9126 -12.9126 -12.9121 -12.9121 -12.6880 -12.6880 -12.6874 -12.6874 -2.2224 -2.2224 -2.2207 -2.2207 -0.6037 -0.6037 -0.6037 -0.6037 -0.2865 -0.2865 -0.2861 -0.2861 0.4133 0.4133 0.4171 0.4171 2.7161 2.7161 2.7201 2.7201 3.2915 3.2915 3.3025 3.3025 3.9381 3.9381 3.9477 3.9477 4.4550 4.4550 4.4585 4.4585 4.9820 4.9820 4.9872 4.9872 6.7934 6.7934 6.8167 6.8167 7.0232 7.0232 7.0694 7.0694 7.1859 7.1859 7.2813 7.2813 8.1252 8.1252 8.1330 8.1330 8.3840 8.3840 8.4042 8.4042 11.7683 11.7683 11.7703 11.7703 15.2709 15.2709 15.2716 15.2716 k = 0.6677 0.0795-0.1908 ( 3308 PWs) bands (ev): -15.8776 -15.8776 -15.8775 -15.8775 -12.9030 -12.9030 -12.9025 -12.9025 -12.6858 -12.6858 -12.6853 -12.6853 -2.2539 -2.2539 -2.2522 -2.2522 -0.5993 -0.5993 -0.5993 -0.5993 -0.2907 -0.2907 -0.2902 -0.2902 0.4056 0.4056 0.4093 0.4093 2.7494 2.7494 2.7533 2.7533 3.2898 3.2898 3.3004 3.3004 3.9697 3.9697 3.9794 3.9794 4.4588 4.4588 4.4621 4.4621 4.9611 4.9611 4.9668 4.9668 6.7997 6.7997 6.8240 6.8240 7.0270 7.0270 7.0719 7.0719 7.1788 7.1788 7.2743 7.2743 8.1344 8.1344 8.1424 8.1424 8.3797 8.3797 8.4002 8.4002 11.7338 11.7338 11.7360 11.7360 15.2291 15.2291 15.2297 15.2297 k = 0.6604 0.0859-0.1761 ( 3310 PWs) bands (ev): -15.8832 -15.8832 -15.8831 -15.8831 -12.8931 -12.8931 -12.8926 -12.8926 -12.6837 -12.6837 -12.6832 -12.6832 -2.2850 -2.2850 -2.2834 -2.2834 -0.5948 -0.5948 -0.5948 -0.5948 -0.2962 -0.2962 -0.2958 -0.2958 0.3986 0.3986 0.4022 0.4022 2.7826 2.7826 2.7865 2.7865 3.2874 3.2874 3.2977 3.2977 4.0020 4.0020 4.0118 4.0118 4.4633 4.4633 4.4665 4.4665 4.9406 4.9406 4.9467 4.9467 6.8065 6.8065 6.8318 6.8318 7.0302 7.0302 7.0739 7.0739 7.1716 7.1716 7.2671 7.2671 8.1435 8.1435 8.1515 8.1515 8.3756 8.3756 8.3962 8.3962 11.6990 11.6990 11.7013 11.7013 15.1866 15.1866 15.1871 15.1871 k = 0.6531 0.0923-0.1613 ( 3312 PWs) bands (ev): -15.8889 -15.8889 -15.8888 -15.8888 -12.8829 -12.8829 -12.8824 -12.8824 -12.6818 -12.6818 -12.6813 -12.6813 -2.3156 -2.3156 -2.3140 -2.3140 -0.5903 -0.5903 -0.5902 -0.5902 -0.3032 -0.3032 -0.3028 -0.3028 0.3925 0.3925 0.3960 0.3960 2.8156 2.8156 2.8195 2.8195 3.2846 3.2846 3.2945 3.2945 4.0347 4.0347 4.0446 4.0446 4.4684 4.4684 4.4715 4.4715 4.9208 4.9208 4.9273 4.9273 6.8137 6.8137 6.8399 6.8399 7.0330 7.0330 7.0754 7.0754 7.1644 7.1644 7.2598 7.2598 8.1525 8.1525 8.1606 8.1606 8.3715 8.3715 8.3921 8.3921 11.6642 11.6642 11.6665 11.6665 15.1436 15.1436 15.1440 15.1440 k = 0.6458 0.0987-0.1465 ( 3312 PWs) bands (ev): -15.8945 -15.8945 -15.8944 -15.8944 -12.8725 -12.8725 -12.8720 -12.8720 -12.6801 -12.6801 -12.6796 -12.6796 -2.3457 -2.3457 -2.3440 -2.3440 -0.5857 -0.5857 -0.5856 -0.5856 -0.3114 -0.3114 -0.3110 -0.3110 0.3871 0.3871 0.3905 0.3905 2.8482 2.8482 2.8520 2.8520 3.2814 3.2814 3.2909 3.2909 4.0674 4.0674 4.0775 4.0775 4.4736 4.4736 4.4766 4.4766 4.9023 4.9023 4.9091 4.9091 6.8213 6.8213 6.8483 6.8483 7.0353 7.0353 7.0765 7.0765 7.1574 7.1574 7.2525 7.2525 8.1613 8.1613 8.1694 8.1694 8.3675 8.3675 8.3880 8.3880 11.6293 11.6293 11.6318 11.6318 15.1004 15.1004 15.1007 15.1007 k = 0.6385 0.1051-0.1318 ( 3314 PWs) bands (ev): -15.9002 -15.9002 -15.9000 -15.9000 -12.8620 -12.8620 -12.8615 -12.8615 -12.6785 -12.6785 -12.6781 -12.6781 -2.3750 -2.3750 -2.3734 -2.3734 -0.5810 -0.5810 -0.5810 -0.5810 -0.3207 -0.3207 -0.3203 -0.3203 0.3826 0.3826 0.3858 0.3858 2.8801 2.8801 2.8838 2.8838 3.2780 3.2780 3.2870 3.2870 4.0999 4.0999 4.1100 4.1100 4.4787 4.4787 4.4818 4.4818 4.8852 4.8852 4.8923 4.8923 6.8292 6.8292 6.8571 6.8571 7.0370 7.0370 7.0769 7.0769 7.1507 7.1507 7.2452 7.2452 8.1700 8.1700 8.1781 8.1781 8.3634 8.3634 8.3838 8.3838 11.5948 11.5948 11.5973 11.5973 15.0572 15.0572 15.0574 15.0574 k = 0.6312 0.1115-0.1170 ( 3322 PWs) bands (ev): -15.9057 -15.9057 -15.9056 -15.9056 -12.8514 -12.8514 -12.8510 -12.8510 -12.6772 -12.6772 -12.6767 -12.6767 -2.4035 -2.4035 -2.4019 -2.4019 -0.5763 -0.5763 -0.5762 -0.5762 -0.3310 -0.3310 -0.3306 -0.3306 0.3787 0.3787 0.3818 0.3818 2.9114 2.9114 2.9149 2.9149 3.2743 3.2743 3.2829 3.2829 4.1316 4.1316 4.1418 4.1418 4.4836 4.4836 4.4868 4.4868 4.8701 4.8701 4.8773 4.8773 6.8374 6.8374 6.8660 6.8660 7.0381 7.0381 7.0766 7.0766 7.1444 7.1444 7.2379 7.2379 8.1785 8.1785 8.1866 8.1866 8.3594 8.3594 8.3795 8.3795 11.5607 11.5607 11.5633 11.5633 15.0141 15.0141 15.0142 15.0142 k = 0.6240 0.1179-0.1022 ( 3326 PWs) bands (ev): -15.9112 -15.9112 -15.9111 -15.9111 -12.8408 -12.8408 -12.8404 -12.8404 -12.6760 -12.6760 -12.6756 -12.6756 -2.4311 -2.4311 -2.4296 -2.4296 -0.5715 -0.5715 -0.5715 -0.5715 -0.3420 -0.3420 -0.3416 -0.3416 0.3756 0.3756 0.3785 0.3785 2.9418 2.9418 2.9452 2.9452 3.2706 3.2706 3.2787 3.2787 4.1618 4.1618 4.1722 4.1722 4.4883 4.4883 4.4917 4.4917 4.8573 4.8573 4.8645 4.8645 6.8460 6.8460 6.8752 6.8752 7.0386 7.0386 7.0756 7.0756 7.1386 7.1386 7.2308 7.2308 8.1870 8.1870 8.1950 8.1950 8.3555 8.3555 8.3751 8.3751 11.5272 11.5272 11.5298 11.5298 14.9714 14.9714 14.9714 14.9714 k = 0.6167 0.1243-0.0875 ( 3328 PWs) bands (ev): -15.9165 -15.9165 -15.9164 -15.9164 -12.8302 -12.8302 -12.8298 -12.8298 -12.6750 -12.6750 -12.6746 -12.6746 -2.4577 -2.4577 -2.4562 -2.4562 -0.5667 -0.5667 -0.5666 -0.5666 -0.3536 -0.3536 -0.3532 -0.3532 0.3730 0.3730 0.3758 0.3758 2.9712 2.9712 2.9744 2.9744 3.2668 3.2668 3.2745 3.2745 4.1899 4.1899 4.2002 4.2002 4.4931 4.4931 4.4967 4.4967 4.8469 4.8469 4.8540 4.8540 6.8549 6.8549 6.8845 6.8845 7.0387 7.0387 7.0739 7.0739 7.1335 7.1335 7.2238 7.2238 8.1952 8.1952 8.2031 8.2031 8.3515 8.3515 8.3707 8.3707 11.4945 11.4945 11.4971 11.4971 14.9293 14.9293 14.9293 14.9293 k = 0.6094 0.1307-0.0727 ( 3330 PWs) bands (ev): -15.9217 -15.9217 -15.9216 -15.9216 -12.8197 -12.8197 -12.8193 -12.8193 -12.6743 -12.6743 -12.6739 -12.6739 -2.4832 -2.4832 -2.4818 -2.4818 -0.5619 -0.5619 -0.5618 -0.5618 -0.3655 -0.3655 -0.3651 -0.3651 0.3710 0.3710 0.3736 0.3736 2.9995 2.9995 3.0025 3.0025 3.2632 3.2632 3.2703 3.2703 4.2147 4.2147 4.2250 4.2250 4.4987 4.4987 4.5026 4.5026 4.8391 4.8391 4.8459 4.8459 6.8640 6.8640 6.8939 6.8939 7.0382 7.0382 7.0713 7.0713 7.1291 7.1291 7.2169 7.2169 8.2033 8.2033 8.2110 8.2110 8.3475 8.3475 8.3660 8.3660 11.4627 11.4627 11.4654 11.4654 14.8880 14.8880 14.8882 14.8882 k = 0.6021 0.1370-0.0579 ( 3324 PWs) bands (ev): -15.9266 -15.9266 -15.9265 -15.9265 -12.8094 -12.8094 -12.8090 -12.8090 -12.6737 -12.6737 -12.6734 -12.6734 -2.5075 -2.5075 -2.5062 -2.5062 -0.5571 -0.5571 -0.5570 -0.5570 -0.3776 -0.3776 -0.3772 -0.3772 0.3694 0.3694 0.3719 0.3719 3.0266 3.0266 3.0294 3.0294 3.2597 3.2597 3.2663 3.2663 4.2353 4.2353 4.2453 4.2453 4.5060 4.5060 4.5102 4.5102 4.8337 4.8337 4.8400 4.8400 6.8734 6.8734 6.9035 6.9035 7.0372 7.0372 7.0680 7.0680 7.1255 7.1255 7.2103 7.2103 8.2113 8.2113 8.2188 8.2188 8.3436 8.3436 8.3614 8.3614 11.4321 11.4321 11.4347 11.4347 14.8480 14.8480 14.8481 14.8481 k = 0.5948 0.1434-0.0432 ( 3322 PWs) bands (ev): -15.9314 -15.9314 -15.9313 -15.9313 -12.7992 -12.7992 -12.7988 -12.7988 -12.6735 -12.6735 -12.6731 -12.6731 -2.5306 -2.5306 -2.5293 -2.5293 -0.5523 -0.5523 -0.5522 -0.5522 -0.3896 -0.3896 -0.3893 -0.3893 0.3682 0.3682 0.3705 0.3705 3.0524 3.0524 3.0550 3.0550 3.2563 3.2563 3.2625 3.2625 4.2507 4.2507 4.2602 4.2602 4.5163 4.5163 4.5205 4.5205 4.8303 4.8303 4.8362 4.8362 6.8828 6.8828 6.9129 6.9129 7.0358 7.0358 7.0640 7.0640 7.1226 7.1226 7.2038 7.2038 8.2191 8.2191 8.2263 8.2263 8.3397 8.3397 8.3567 8.3567 11.4028 11.4028 11.4054 11.4054 14.8093 14.8093 14.8095 14.8095 k = 0.5875 0.1498-0.0284 ( 3322 PWs) bands (ev): -15.9359 -15.9359 -15.9358 -15.9358 -12.7892 -12.7892 -12.7889 -12.7889 -12.6735 -12.6735 -12.6731 -12.6731 -2.5523 -2.5523 -2.5511 -2.5511 -0.5476 -0.5476 -0.5475 -0.5475 -0.4016 -0.4016 -0.4012 -0.4012 0.3672 0.3672 0.3694 0.3694 3.0770 3.0770 3.0793 3.0793 3.2532 3.2532 3.2590 3.2590 4.2603 4.2603 4.2689 4.2689 4.5301 4.5301 4.5341 4.5341 4.8286 4.8286 4.8340 4.8340 6.8924 6.8924 6.9222 6.9222 7.0340 7.0340 7.0595 7.0595 7.1204 7.1204 7.1975 7.1975 8.2267 8.2267 8.2336 8.2336 8.3358 8.3358 8.3519 8.3519 11.3750 11.3750 11.3775 11.3775 14.7723 14.7723 14.7725 14.7725 k = 0.5802 0.1562-0.0136 ( 3312 PWs) bands (ev): -15.9402 -15.9402 -15.9401 -15.9401 -12.7796 -12.7796 -12.7792 -12.7792 -12.6737 -12.6737 -12.6734 -12.6734 -2.5726 -2.5726 -2.5714 -2.5714 -0.5429 -0.5429 -0.5429 -0.5429 -0.4131 -0.4131 -0.4128 -0.4128 0.3666 0.3666 0.3685 0.3685 3.1001 3.1001 3.1022 3.1022 3.2504 3.2504 3.2557 3.2557 4.2642 4.2642 4.2719 4.2719 4.5476 4.5476 4.5512 4.5512 4.8281 4.8281 4.8329 4.8329 6.9020 6.9020 6.9313 6.9313 7.0319 7.0319 7.0546 7.0546 7.1189 7.1189 7.1914 7.1914 8.2341 8.2341 8.2406 8.2406 8.3320 8.3320 8.3470 8.3470 11.3488 11.3488 11.3512 11.3512 14.7371 14.7371 14.7374 14.7374 k = 0.5729 0.1626 0.0011 ( 3316 PWs) bands (ev): -15.9441 -15.9441 -15.9441 -15.9441 -12.7702 -12.7702 -12.7699 -12.7699 -12.6743 -12.6743 -12.6740 -12.6740 -2.5914 -2.5914 -2.5903 -2.5903 -0.5384 -0.5384 -0.5384 -0.5384 -0.4243 -0.4243 -0.4240 -0.4240 0.3661 0.3661 0.3679 0.3679 3.1216 3.1216 3.1235 3.1235 3.2479 3.2479 3.2526 3.2526 4.2633 4.2633 4.2698 4.2698 4.5681 4.5681 4.5713 4.5713 4.8283 4.8283 4.8325 4.8325 6.9116 6.9116 6.9401 6.9401 7.0295 7.0295 7.0495 7.0495 7.1177 7.1177 7.1854 7.1854 8.2411 8.2411 8.2473 8.2473 8.3282 8.3282 8.3422 8.3422 11.3243 11.3243 11.3266 11.3266 14.7041 14.7041 14.7044 14.7044 k = 0.5656 0.1690 0.0159 ( 3316 PWs) bands (ev): -15.9478 -15.9478 -15.9477 -15.9477 -12.7612 -12.7612 -12.7609 -12.7609 -12.6752 -12.6752 -12.6749 -12.6749 -2.6086 -2.6086 -2.6076 -2.6076 -0.5341 -0.5341 -0.5340 -0.5340 -0.4349 -0.4349 -0.4346 -0.4346 0.3658 0.3658 0.3674 0.3674 3.1416 3.1416 3.1432 3.1432 3.2457 3.2457 3.2499 3.2499 4.2587 4.2587 4.2641 4.2641 4.5908 4.5908 4.5934 4.5934 4.8286 4.8286 4.8322 4.8322 6.9210 6.9210 6.9485 6.9485 7.0268 7.0268 7.0443 7.0443 7.1171 7.1171 7.1796 7.1796 8.2479 8.2479 8.2536 8.2536 8.3246 8.3246 8.3374 8.3374 11.3018 11.3018 11.3039 11.3039 14.6735 14.6735 14.6738 14.6738 k = 0.5583 0.1754 0.0307 ( 3308 PWs) bands (ev): -15.9511 -15.9511 -15.9511 -15.9511 -12.7526 -12.7526 -12.7523 -12.7523 -12.6764 -12.6764 -12.6762 -12.6762 -2.6241 -2.6241 -2.6232 -2.6232 -0.5298 -0.5298 -0.5298 -0.5298 -0.4448 -0.4448 -0.4446 -0.4446 0.3656 0.3656 0.3670 0.3670 3.1599 3.1599 3.1613 3.1613 3.2438 3.2438 3.2475 3.2475 4.2515 4.2515 4.2560 4.2560 4.6146 4.6146 4.6169 4.6169 4.8285 4.8285 4.8316 4.8316 6.9303 6.9303 6.9564 6.9564 7.0241 7.0241 7.0391 7.0391 7.1170 7.1170 7.1739 7.1739 8.2544 8.2544 8.2596 8.2596 8.3211 8.3211 8.3326 8.3326 11.2812 11.2812 11.2832 11.2832 14.6454 14.6454 14.6457 14.6457 k = 0.5510 0.1818 0.0454 ( 3316 PWs) bands (ev): -15.9541 -15.9541 -15.9540 -15.9540 -12.7444 -12.7444 -12.7442 -12.7442 -12.6779 -12.6779 -12.6777 -12.6777 -2.6380 -2.6380 -2.6372 -2.6372 -0.5258 -0.5258 -0.5258 -0.5258 -0.4541 -0.4541 -0.4539 -0.4539 0.3654 0.3654 0.3667 0.3667 3.1764 3.1764 3.1776 3.1776 3.2421 3.2421 3.2454 3.2454 4.2430 4.2430 4.2466 4.2466 4.6388 4.6388 4.6407 4.6407 4.8277 4.8277 4.8303 4.8303 6.9393 6.9393 6.9637 6.9637 7.0212 7.0212 7.0339 7.0339 7.1172 7.1172 7.1683 7.1683 8.2606 8.2606 8.2652 8.2652 8.3176 8.3176 8.3279 8.3279 11.2628 11.2628 11.2646 11.2646 14.6201 14.6201 14.6204 14.6204 k = 0.5437 0.1882 0.0602 ( 3318 PWs) bands (ev): -15.9567 -15.9567 -15.9567 -15.9567 -12.7366 -12.7366 -12.7365 -12.7365 -12.6798 -12.6798 -12.6797 -12.6797 -2.6501 -2.6501 -2.6494 -2.6494 -0.5219 -0.5219 -0.5219 -0.5219 -0.4626 -0.4626 -0.4624 -0.4624 0.3654 0.3654 0.3665 0.3665 3.1911 3.1911 3.1920 3.1920 3.2408 3.2408 3.2435 3.2435 4.2339 4.2339 4.2368 4.2368 4.6626 4.6626 4.6642 4.6642 4.8259 4.8259 4.8279 4.8279 6.9480 6.9480 6.9703 6.9703 7.0184 7.0184 7.0287 7.0287 7.1180 7.1180 7.1629 7.1629 8.2664 8.2664 8.2704 8.2704 8.3143 8.3143 8.3233 8.3233 11.2467 11.2467 11.2482 11.2482 14.5978 14.5978 14.5980 14.5980 k = 0.5365 0.1946 0.0750 ( 3326 PWs) bands (ev): -15.9589 -15.9589 -15.9589 -15.9589 -12.7293 -12.7293 -12.7292 -12.7292 -12.6821 -12.6821 -12.6820 -12.6820 -2.6604 -2.6604 -2.6599 -2.6599 -0.5181 -0.5181 -0.5181 -0.5181 -0.4703 -0.4703 -0.4702 -0.4702 0.3654 0.3654 0.3663 0.3663 3.2037 3.2037 3.2044 3.2044 3.2397 3.2397 3.2419 3.2419 4.2251 4.2251 4.2273 4.2273 4.6857 4.6857 4.6870 4.6870 4.8227 4.8227 4.8243 4.8243 6.9563 6.9563 6.9761 6.9761 7.0156 7.0156 7.0237 7.0237 7.1192 7.1192 7.1575 7.1575 8.2719 8.2719 8.2752 8.2752 8.3112 8.3112 8.3188 8.3188 11.2328 11.2328 11.2342 11.2342 14.5786 14.5786 14.5788 14.5788 k = 0.5292 0.2010 0.0897 ( 3330 PWs) bands (ev): -15.9608 -15.9608 -15.9608 -15.9608 -12.7225 -12.7225 -12.7224 -12.7224 -12.6848 -12.6848 -12.6847 -12.6847 -2.6689 -2.6689 -2.6685 -2.6685 -0.5144 -0.5144 -0.5144 -0.5144 -0.4773 -0.4773 -0.4772 -0.4772 0.3654 0.3654 0.3661 0.3661 3.2143 3.2143 3.2148 3.2148 3.2388 3.2388 3.2405 3.2405 4.2172 4.2172 4.2188 4.2188 4.7075 4.7075 4.7085 4.7085 4.8179 4.8179 4.8191 4.8191 6.9642 6.9642 6.9812 6.9812 7.0129 7.0129 7.0187 7.0187 7.1211 7.1211 7.1523 7.1523 8.2770 8.2770 8.2795 8.2795 8.3082 8.3082 8.3144 8.3144 11.2215 11.2215 11.2225 11.2225 14.5627 14.5627 14.5629 14.5629 k = 0.5219 0.2074 0.1045 ( 3334 PWs) bands (ev): -15.9622 -15.9622 -15.9622 -15.9622 -12.7161 -12.7161 -12.7160 -12.7160 -12.6879 -12.6879 -12.6878 -12.6878 -2.6755 -2.6755 -2.6752 -2.6752 -0.5107 -0.5107 -0.5107 -0.5107 -0.4835 -0.4835 -0.4834 -0.4834 0.3654 0.3654 0.3660 0.3660 3.2228 3.2228 3.2230 3.2230 3.2382 3.2382 3.2394 3.2394 4.2105 4.2105 4.2117 4.2117 4.7277 4.7277 4.7285 4.7285 4.8114 4.8114 4.8122 4.8122 6.9714 6.9714 6.9853 6.9853 7.0103 7.0103 7.0140 7.0140 7.1234 7.1234 7.1472 7.1472 8.2817 8.2817 8.2835 8.2835 8.3053 8.3053 8.3103 8.3103 11.2126 11.2126 11.2134 11.2134 14.5502 14.5502 14.5504 14.5504 k = 0.5146 0.2138 0.1193 ( 3334 PWs) bands (ev): -15.9633 -15.9633 -15.9633 -15.9633 -12.7103 -12.7103 -12.7102 -12.7102 -12.6915 -12.6915 -12.6914 -12.6914 -2.6803 -2.6803 -2.6801 -2.6801 -0.5070 -0.5070 -0.5070 -0.5070 -0.4890 -0.4890 -0.4890 -0.4890 0.3655 0.3655 0.3659 0.3659 3.2291 3.2291 3.2292 3.2292 3.2376 3.2376 3.2383 3.2383 4.2056 4.2056 4.2064 4.2064 4.7461 4.7461 4.7467 4.7467 4.8031 4.8031 4.8035 4.8035 6.9781 6.9781 6.9882 6.9882 7.0080 7.0080 7.0097 7.0097 7.1264 7.1264 7.1424 7.1424 8.2860 8.2860 8.2869 8.2869 8.3027 8.3027 8.3062 8.3062 11.2062 11.2062 11.2067 11.2067 14.5412 14.5412 14.5413 14.5413 k = 0.5073 0.2202 0.1340 ( 3334 PWs) bands (ev): -15.9639 -15.9639 -15.9639 -15.9639 -12.7049 -12.7049 -12.7048 -12.7048 -12.6954 -12.6954 -12.6954 -12.6954 -2.6831 -2.6831 -2.6830 -2.6830 -0.5033 -0.5033 -0.5033 -0.5033 -0.4939 -0.4939 -0.4938 -0.4938 0.3656 0.3656 0.3658 0.3658 3.2333 3.2333 3.2333 3.2333 3.2370 3.2370 3.2372 3.2372 4.2026 4.2026 4.2030 4.2030 4.7621 4.7621 4.7625 4.7625 4.7933 4.7933 4.7935 4.7935 6.9838 6.9838 6.9894 6.9894 7.0062 7.0062 7.0065 7.0065 7.1298 7.1298 7.1379 7.1379 8.2895 8.2895 8.2897 8.2897 8.3007 8.3007 8.3027 8.3027 11.2024 11.2024 11.2027 11.2027 14.5358 14.5358 14.5359 14.5359 k = 0.5000 0.2266 0.1488 ( 3326 PWs) bands (ev): -15.9641 -15.9641 -15.9641 -15.9641 -12.7006 -12.7006 -12.7006 -12.7006 -12.6992 -12.6992 -12.6992 -12.6992 -2.6840 -2.6840 -2.6840 -2.6840 -0.5006 -0.5006 -0.5006 -0.5006 -0.4969 -0.4969 -0.4969 -0.4969 0.3657 0.3657 0.3657 0.3657 3.2356 3.2356 3.2356 3.2356 3.2360 3.2360 3.2360 3.2360 4.2018 4.2018 4.2018 4.2018 4.7716 4.7716 4.7716 4.7716 4.7861 4.7861 4.7861 4.7861 6.9879 6.9879 6.9880 6.9880 7.0053 7.0053 7.0054 7.0054 7.1336 7.1336 7.1337 7.1337 8.2910 8.2910 8.2911 8.2911 8.3004 8.3004 8.3005 8.3005 11.2013 11.2013 11.2013 11.2013 14.5340 14.5340 14.5340 14.5340 k = 0.5000 0.2266 0.1488 ( 3326 PWs) bands (ev): -15.9641 -15.9641 -15.9641 -15.9641 -12.7006 -12.7006 -12.7006 -12.7006 -12.6992 -12.6992 -12.6992 -12.6992 -2.6840 -2.6840 -2.6840 -2.6840 -0.5006 -0.5006 -0.5006 -0.5006 -0.4969 -0.4969 -0.4969 -0.4969 0.3657 0.3657 0.3657 0.3657 3.2356 3.2356 3.2356 3.2356 3.2360 3.2360 3.2360 3.2360 4.2018 4.2018 4.2018 4.2018 4.7716 4.7716 4.7716 4.7716 4.7861 4.7861 4.7861 4.7861 6.9879 6.9879 6.9880 6.9880 7.0053 7.0053 7.0054 7.0054 7.1336 7.1336 7.1337 7.1337 8.2910 8.2910 8.2911 8.2911 8.3004 8.3004 8.3005 8.3005 11.2013 11.2013 11.2013 11.2013 14.5340 14.5340 14.5340 14.5340 k = 0.4844 0.2195 0.1441 ( 3335 PWs) bands (ev): -15.9789 -15.9789 -15.9493 -15.9493 -12.7057 -12.7057 -12.7044 -12.7044 -12.6954 -12.6954 -12.6940 -12.6940 -2.6855 -2.6855 -2.6818 -2.6818 -0.5035 -0.5035 -0.5000 -0.5000 -0.4979 -0.4979 -0.4941 -0.4941 0.2998 0.2998 0.4308 0.4308 3.2169 3.2169 3.2170 3.2170 3.2546 3.2546 3.2555 3.2555 4.1755 4.1755 4.2281 4.2281 4.7421 4.7421 4.7567 4.7567 4.8012 4.8012 4.8156 4.8156 6.9856 6.9856 6.9896 6.9896 7.0011 7.0011 7.0093 7.0093 7.1331 7.1331 7.1346 7.1346 8.2696 8.2696 8.2776 8.2776 8.3126 8.3126 8.3235 8.3235 11.1783 11.1783 11.2255 11.2255 14.4343 14.4343 14.6341 14.6341 k = 0.4688 0.2124 0.1395 ( 3338 PWs) bands (ev): -15.9935 -15.9935 -15.9345 -15.9345 -12.7108 -12.7108 -12.7095 -12.7095 -12.6903 -12.6903 -12.6888 -12.6888 -2.6864 -2.6864 -2.6788 -2.6788 -0.5065 -0.5065 -0.5032 -0.5032 -0.4955 -0.4955 -0.4915 -0.4915 0.2334 0.2334 0.4950 0.4950 3.1984 3.1984 3.1990 3.1990 3.2742 3.2742 3.2756 3.2756 4.1495 4.1495 4.2546 4.2546 4.7127 4.7127 4.7273 4.7273 4.8308 4.8308 4.8451 4.8451 6.9828 6.9828 6.9905 6.9905 6.9964 6.9964 7.0129 7.0129 7.1330 7.1330 7.1359 7.1359 8.2485 8.2485 8.2550 8.2550 8.3345 8.3345 8.3468 8.3468 11.1567 11.1567 11.2510 11.2510 14.3349 14.3349 14.7343 14.7343 k = 0.4531 0.2053 0.1348 ( 3338 PWs) bands (ev): -16.0081 -16.0081 -15.9197 -15.9197 -12.7159 -12.7159 -12.7147 -12.7147 -12.6852 -12.6852 -12.6837 -12.6837 -2.6865 -2.6865 -2.6750 -2.6750 -0.5098 -0.5098 -0.5067 -0.5067 -0.4933 -0.4933 -0.4891 -0.4891 0.1666 0.1666 0.5582 0.5582 3.1806 3.1806 3.1817 3.1817 3.2943 3.2943 3.2963 3.2963 4.1236 4.1236 4.2811 4.2811 4.6835 4.6835 4.6982 4.6982 4.8604 4.8604 4.8746 4.8746 6.9795 6.9795 6.9908 6.9908 6.9915 6.9915 7.0161 7.0161 7.1333 7.1333 7.1376 7.1376 8.2277 8.2277 8.2328 8.2328 8.3564 8.3564 8.3700 8.3700 11.1367 11.1367 11.2776 11.2776 14.2359 14.2359 14.8347 14.8347 k = 0.4375 0.1982 0.1302 ( 3344 PWs) bands (ev): -16.0225 -16.0225 -15.9049 -15.9049 -12.7209 -12.7209 -12.7197 -12.7197 -12.6800 -12.6800 -12.6785 -12.6785 -2.6861 -2.6861 -2.6703 -2.6703 -0.5132 -0.5132 -0.5103 -0.5103 -0.4913 -0.4913 -0.4869 -0.4869 0.0994 0.0994 0.6202 0.6202 3.1634 3.1634 3.1649 3.1649 3.3149 3.3149 3.3174 3.3174 4.0980 4.0980 4.3077 4.3077 4.6544 4.6544 4.6691 4.6691 4.8899 4.8899 4.9041 4.9041 6.9757 6.9757 6.9863 6.9863 6.9903 6.9903 7.0190 7.0190 7.1339 7.1339 7.1396 7.1396 8.2074 8.2074 8.2109 8.2109 8.3784 8.3784 8.3933 8.3933 11.1184 11.1184 11.3050 11.3050 14.1374 14.1374 14.9352 14.9352 k = 0.4219 0.1912 0.1255 ( 3356 PWs) bands (ev): -16.0367 -16.0367 -15.8903 -15.8903 -12.7259 -12.7259 -12.7247 -12.7247 -12.6750 -12.6750 -12.6734 -12.6734 -2.6850 -2.6850 -2.6649 -2.6649 -0.5168 -0.5168 -0.5140 -0.5140 -0.4896 -0.4896 -0.4850 -0.4850 0.0321 0.0321 0.6809 0.6809 3.1468 3.1468 3.1488 3.1488 3.3359 3.3359 3.3389 3.3389 4.0725 4.0725 4.3344 4.3344 4.6256 4.6256 4.6403 4.6403 4.9193 4.9193 4.9334 4.9334 6.9717 6.9717 6.9809 6.9809 6.9890 6.9890 7.0215 7.0215 7.1349 7.1349 7.1419 7.1419 8.1874 8.1874 8.1895 8.1895 8.4004 8.4004 8.4166 8.4166 11.1018 11.1018 11.3331 11.3331 14.0394 14.0394 15.0354 15.0354 k = 0.4062 0.1841 0.1209 ( 3368 PWs) bands (ev): -16.0507 -16.0507 -15.8758 -15.8758 -12.7308 -12.7308 -12.7297 -12.7297 -12.6700 -12.6700 -12.6683 -12.6683 -2.6834 -2.6834 -2.6586 -2.6586 -0.5204 -0.5204 -0.5179 -0.5179 -0.4881 -0.4881 -0.4834 -0.4834 -0.0351 -0.0351 0.7401 0.7401 3.1309 3.1309 3.1333 3.1333 3.3573 3.3573 3.3608 3.3608 4.0474 4.0474 4.3611 4.3611 4.5969 4.5969 4.6117 4.6117 4.9486 4.9486 4.9625 4.9625 6.9672 6.9672 6.9751 6.9751 6.9871 6.9871 7.0237 7.0237 7.1360 7.1360 7.1446 7.1446 8.1680 8.1680 8.1684 8.1684 8.4222 8.4222 8.4397 8.4397 11.0872 11.0872 11.3619 11.3619 13.9421 13.9421 15.1356 15.1356 k = 0.3906 0.1770 0.1162 ( 3356 PWs) bands (ev): -16.0644 -16.0644 -15.8615 -15.8615 -12.7356 -12.7356 -12.7345 -12.7345 -12.6650 -12.6650 -12.6633 -12.6633 -2.6813 -2.6813 -2.6515 -2.6515 -0.5242 -0.5242 -0.5218 -0.5218 -0.4869 -0.4869 -0.4820 -0.4820 -0.1022 -0.1022 0.7978 0.7978 3.1157 3.1157 3.1185 3.1185 3.3790 3.3790 3.3832 3.3832 4.0226 4.0226 4.3879 4.3879 4.5686 4.5686 4.5834 4.5834 4.9776 4.9776 4.9915 4.9915 6.9627 6.9627 6.9693 6.9693 6.9845 6.9845 7.0256 7.0256 7.1373 7.1373 7.1479 7.1479 8.1481 8.1481 8.1492 8.1492 8.4441 8.4441 8.4628 8.4628 11.0746 11.0746 11.3911 11.3911 13.8455 13.8455 15.2355 15.2355 k = 0.3750 0.1699 0.1116 ( 3362 PWs) bands (ev): -16.0779 -16.0779 -15.8473 -15.8473 -12.7403 -12.7403 -12.7393 -12.7393 -12.6601 -12.6601 -12.6584 -12.6584 -2.6787 -2.6787 -2.6435 -2.6435 -0.5281 -0.5281 -0.5259 -0.5259 -0.4859 -0.4859 -0.4808 -0.4808 -0.1690 -0.1690 0.8537 0.8537 3.1011 3.1011 3.1044 3.1044 3.4011 3.4011 3.4058 3.4058 3.9982 3.9982 4.4146 4.4146 4.5405 4.5405 4.5554 4.5554 5.0064 5.0064 5.0201 5.0201 6.9580 6.9580 6.9631 6.9631 6.9811 6.9811 7.0271 7.0271 7.1385 7.1385 7.1514 7.1514 8.1283 8.1283 8.1309 8.1309 8.4656 8.4656 8.4855 8.4855 11.0640 11.0640 11.4207 11.4207 13.7497 13.7497 15.3350 15.3350 k = 0.3594 0.1628 0.1069 ( 3362 PWs) bands (ev): -16.0911 -16.0911 -15.8334 -15.8334 -12.7449 -12.7449 -12.7439 -12.7439 -12.6553 -12.6553 -12.6535 -12.6535 -2.6757 -2.6757 -2.6347 -2.6347 -0.5320 -0.5320 -0.5300 -0.5300 -0.4851 -0.4851 -0.4799 -0.4799 -0.2353 -0.2353 0.9078 0.9078 3.0873 3.0873 3.0909 3.0909 3.4234 3.4234 3.4287 3.4287 3.9742 3.9742 4.4413 4.4413 4.5128 4.5128 4.5276 4.5276 5.0348 5.0348 5.0484 5.0484 6.9532 6.9532 6.9567 6.9567 6.9772 6.9772 7.0283 7.0283 7.1397 7.1397 7.1554 7.1554 8.1091 8.1091 8.1133 8.1133 8.4870 8.4870 8.5079 8.5079 11.0556 11.0556 11.4504 11.4504 13.6548 13.6548 15.4339 15.4339 k = 0.3438 0.1558 0.1023 ( 3362 PWs) bands (ev): -16.1039 -16.1039 -15.8198 -15.8198 -12.7494 -12.7494 -12.7484 -12.7484 -12.6506 -12.6506 -12.6488 -12.6488 -2.6723 -2.6723 -2.6250 -2.6250 -0.5360 -0.5360 -0.5342 -0.5342 -0.4846 -0.4846 -0.4792 -0.4792 -0.3011 -0.3011 0.9599 0.9599 3.0741 3.0741 3.0782 3.0782 3.4460 3.4460 3.4518 3.4518 3.9507 3.9507 4.4679 4.4679 4.4855 4.4855 4.5002 4.5002 5.0629 5.0629 5.0763 5.0763 6.9482 6.9482 6.9501 6.9501 6.9728 6.9728 7.0292 7.0292 7.1408 7.1408 7.1597 7.1597 8.0906 8.0906 8.0964 8.0964 8.5079 8.5079 8.5300 8.5300 11.0495 11.0495 11.4802 11.4802 13.5608 13.5608 15.5321 15.5321 k = 0.3281 0.1487 0.0976 ( 3353 PWs) bands (ev): -16.1163 -16.1163 -15.8065 -15.8065 -12.7537 -12.7537 -12.7528 -12.7528 -12.6460 -12.6460 -12.6442 -12.6442 -2.6687 -2.6687 -2.6145 -2.6145 -0.5400 -0.5400 -0.5383 -0.5383 -0.4842 -0.4842 -0.4787 -0.4787 -0.3660 -0.3660 1.0100 1.0100 3.0616 3.0616 3.0661 3.0661 3.4688 3.4688 3.4752 3.4752 3.9278 3.9278 4.4582 4.4582 4.4731 4.4731 4.4947 4.4947 5.0905 5.0905 5.1038 5.1038 6.9432 6.9432 6.9434 6.9434 6.9681 6.9681 7.0299 7.0299 7.1418 7.1418 7.1643 7.1643 8.0728 8.0728 8.0802 8.0802 8.5286 8.5286 8.5516 8.5516 11.0456 11.0456 11.5098 11.5098 13.4678 13.4678 15.6294 15.6294 k = 0.3125 0.1416 0.0930 ( 3353 PWs) bands (ev): -16.1284 -16.1284 -15.7936 -15.7936 -12.7579 -12.7579 -12.7571 -12.7571 -12.6416 -12.6416 -12.6397 -12.6397 -2.6647 -2.6647 -2.6032 -2.6032 -0.5440 -0.5440 -0.5425 -0.5425 -0.4841 -0.4841 -0.4785 -0.4785 -0.4301 -0.4301 1.0579 1.0579 3.0499 3.0499 3.0546 3.0546 3.4917 3.4917 3.4987 3.4987 3.9054 3.9054 4.4315 4.4315 4.4464 4.4464 4.5210 4.5210 5.1175 5.1175 5.1307 5.1307 6.9366 6.9366 6.9381 6.9381 6.9628 6.9628 7.0302 7.0302 7.1425 7.1425 7.1692 7.1692 8.0558 8.0558 8.0647 8.0647 8.5487 8.5487 8.5728 8.5728 11.0440 11.0440 11.5392 11.5392 13.3759 13.3759 15.7257 15.7257 k = 0.2969 0.1345 0.0883 ( 3341 PWs) bands (ev): -16.1400 -16.1400 -15.7810 -15.7810 -12.7620 -12.7620 -12.7612 -12.7612 -12.6372 -12.6372 -12.6353 -12.6353 -2.6605 -2.6605 -2.5911 -2.5911 -0.5479 -0.5479 -0.5467 -0.5467 -0.4930 -0.4930 -0.4842 -0.4842 -0.4784 -0.4784 1.1036 1.1036 3.0388 3.0388 3.0439 3.0439 3.5148 3.5148 3.5224 3.5224 3.8836 3.8836 4.4052 4.4052 4.4200 4.4200 4.5472 4.5472 5.1440 5.1440 5.1570 5.1570 6.9297 6.9297 6.9329 6.9329 6.9574 6.9574 7.0303 7.0303 7.1432 7.1432 7.1742 7.1742 8.0396 8.0396 8.0500 8.0500 8.5683 8.5683 8.5933 8.5933 11.0448 11.0448 11.5682 11.5682 13.2853 13.2853 15.8207 15.8207 k = 0.2812 0.1274 0.0837 ( 3338 PWs) bands (ev): -16.1512 -16.1512 -15.7688 -15.7688 -12.7659 -12.7659 -12.7652 -12.7652 -12.6330 -12.6330 -12.6311 -12.6311 -2.6562 -2.6562 -2.5782 -2.5782 -0.5570 -0.5570 -0.5518 -0.5518 -0.5486 -0.5486 -0.4844 -0.4844 -0.4785 -0.4785 1.1470 1.1470 3.0284 3.0284 3.0338 3.0338 3.5379 3.5379 3.5461 3.5461 3.8625 3.8625 4.3792 4.3792 4.3939 4.3939 4.5731 4.5731 5.1698 5.1698 5.1827 5.1827 6.9228 6.9228 6.9277 6.9277 6.9517 6.9517 7.0300 7.0300 7.1435 7.1435 7.1794 7.1794 8.0241 8.0241 8.0359 8.0359 8.5873 8.5873 8.6132 8.6132 11.0480 11.0480 11.5967 11.5967 13.1960 13.1960 15.9142 15.9142 k = 0.2656 0.1204 0.0790 ( 3335 PWs) bands (ev): -16.1619 -16.1619 -15.7571 -15.7571 -12.7697 -12.7697 -12.7690 -12.7690 -12.6290 -12.6290 -12.6270 -12.6270 -2.6517 -2.6517 -2.5646 -2.5646 -0.6158 -0.6158 -0.5557 -0.5557 -0.5543 -0.5543 -0.4848 -0.4848 -0.4788 -0.4788 1.1881 1.1881 3.0186 3.0186 3.0243 3.0243 3.5612 3.5612 3.5699 3.5699 3.8422 3.8422 4.3535 4.3535 4.3682 4.3682 4.5986 4.5986 5.1948 5.1948 5.2076 5.2076 6.9158 6.9158 6.9225 6.9225 6.9459 6.9459 7.0296 7.0296 7.1437 7.1437 7.1846 7.1846 8.0094 8.0094 8.0227 8.0227 8.6057 8.6057 8.6325 8.6325 11.0536 11.0536 11.6245 11.6245 13.1082 13.1082 16.0059 16.0059 k = 0.2500 0.1133 0.0744 ( 3344 PWs) bands (ev): -16.1722 -16.1722 -15.7459 -15.7459 -12.7733 -12.7733 -12.7726 -12.7726 -12.6252 -12.6252 -12.6231 -12.6231 -2.6472 -2.6472 -2.5504 -2.5504 -0.6747 -0.6747 -0.5594 -0.5594 -0.5583 -0.5583 -0.4853 -0.4853 -0.4792 -0.4792 1.2267 1.2267 3.0095 3.0095 3.0155 3.0155 3.5844 3.5844 3.5937 3.5937 3.8227 3.8227 4.3282 4.3282 4.3428 4.3428 4.6237 4.6237 5.2191 5.2191 5.2317 5.2317 6.9088 6.9088 6.9172 6.9172 6.9399 6.9399 7.0289 7.0289 7.1437 7.1437 7.1896 7.1896 7.9956 7.9956 8.0102 8.0102 8.6233 8.6233 8.6509 8.6509 11.0616 11.0616 11.6514 11.6514 13.0219 13.0219 16.0957 16.0957 k = 0.2344 0.1062 0.0697 ( 3344 PWs) bands (ev): -16.1819 -16.1819 -15.7351 -15.7351 -12.7767 -12.7767 -12.7761 -12.7761 -12.6215 -12.6215 -12.6194 -12.6194 -2.6426 -2.6426 -2.5357 -2.5357 -0.7320 -0.7320 -0.5630 -0.5630 -0.5621 -0.5621 -0.4860 -0.4860 -0.4797 -0.4797 1.2630 1.2630 3.0011 3.0011 3.0073 3.0073 3.6076 3.6076 3.6175 3.6175 3.8040 3.8040 4.3033 4.3033 4.3178 4.3178 4.6482 4.6482 5.2424 5.2424 5.2549 5.2549 6.9019 6.9019 6.9120 6.9120 6.9339 6.9339 7.0281 7.0281 7.1435 7.1435 7.1947 7.1947 7.9826 7.9826 7.9985 7.9985 8.6402 8.6402 8.6686 8.6686 11.0718 11.0718 11.6775 11.6775 12.9374 12.9374 16.1832 16.1832 k = 0.2188 0.0991 0.0651 ( 3338 PWs) bands (ev): -16.1911 -16.1911 -15.7250 -15.7250 -12.7800 -12.7800 -12.7793 -12.7793 -12.6180 -12.6180 -12.6159 -12.6159 -2.6381 -2.6381 -2.5205 -2.5205 -0.7874 -0.7874 -0.5665 -0.5665 -0.5657 -0.5657 -0.4867 -0.4867 -0.4804 -0.4804 1.2967 1.2967 2.9933 2.9933 2.9998 2.9998 3.6307 3.6307 3.6412 3.6412 3.7863 3.7863 4.2787 4.2787 4.2931 4.2931 4.6720 4.6720 5.2648 5.2648 5.2771 5.2771 6.8951 6.8951 6.9071 6.9071 6.9280 6.9280 7.0271 7.0271 7.1432 7.1432 7.1996 7.1996 7.9705 7.9705 7.9877 7.9877 8.6563 8.6563 8.6854 8.6854 11.0844 11.0844 11.7025 11.7025 12.8548 12.8548 16.2682 16.2682 k = 0.2031 0.0920 0.0604 ( 3326 PWs) bands (ev): -16.1997 -16.1997 -15.7153 -15.7153 -12.7830 -12.7830 -12.7824 -12.7824 -12.6147 -12.6147 -12.6126 -12.6126 -2.6336 -2.6336 -2.5049 -2.5049 -0.8407 -0.8407 -0.5698 -0.5698 -0.5691 -0.5691 -0.4876 -0.4876 -0.4811 -0.4811 1.3281 1.3281 2.9861 2.9861 2.9929 2.9929 3.6538 3.6538 3.6649 3.6649 3.7695 3.7695 4.2545 4.2545 4.2687 4.2687 4.6951 4.6951 5.2861 5.2861 5.2983 5.2983 6.8887 6.8887 6.9021 6.9021 6.9223 6.9223 7.0261 7.0261 7.1428 7.1428 7.2044 7.2044 7.9592 7.9592 7.9776 7.9776 8.6715 8.6715 8.7013 8.7013 11.0992 11.0992 11.7264 11.7264 12.7744 12.7744 16.3503 16.3503 k = 0.1875 0.0850 0.0558 ( 3332 PWs) bands (ev): -16.2078 -16.2078 -15.7063 -15.7063 -12.7858 -12.7858 -12.7852 -12.7852 -12.6116 -12.6116 -12.6094 -12.6094 -2.6293 -2.6293 -2.4891 -2.4891 -0.8918 -0.8918 -0.5729 -0.5729 -0.5724 -0.5724 -0.4884 -0.4884 -0.4819 -0.4819 1.3570 1.3570 2.9795 2.9795 2.9865 2.9865 3.6768 3.6768 3.6885 3.6885 3.7539 3.7539 4.2306 4.2306 4.2447 4.2447 4.7172 4.7172 5.3062 5.3062 5.3184 5.3184 6.8822 6.8822 6.8972 6.8972 6.9166 6.9166 7.0249 7.0249 7.1422 7.1422 7.2088 7.2088 7.9488 7.9488 7.9683 7.9683 8.6857 8.6857 8.7162 8.7162 11.1160 11.1160 11.7490 11.7490 12.6963 12.6963 16.4291 16.4291 k = 0.1719 0.0779 0.0511 ( 3335 PWs) bands (ev): -16.2153 -16.2153 -15.6979 -15.6979 -12.7885 -12.7885 -12.7879 -12.7879 -12.6087 -12.6087 -12.6065 -12.6065 -2.6251 -2.6251 -2.4732 -2.4732 -0.9404 -0.9404 -0.5759 -0.5759 -0.5754 -0.5754 -0.4893 -0.4893 -0.4827 -0.4827 1.3834 1.3834 2.9735 2.9735 2.9807 2.9807 3.6994 3.6994 3.7120 3.7120 3.7394 3.7394 4.2070 4.2070 4.2209 4.2209 4.7383 4.7383 5.3252 5.3252 5.3372 5.3372 6.8760 6.8760 6.8925 6.8925 6.9112 6.9112 7.0237 7.0237 7.1415 7.1415 7.2131 7.2131 7.9392 7.9392 7.9598 7.9598 8.6990 8.6990 8.7301 8.7301 11.1347 11.1347 11.7702 11.7702 12.6207 12.6207 16.5044 16.5044 k = 0.1562 0.0708 0.0465 ( 3344 PWs) bands (ev): -16.2222 -16.2222 -15.6902 -15.6902 -12.7909 -12.7909 -12.7904 -12.7904 -12.6061 -12.6061 -12.6039 -12.6039 -2.6212 -2.6212 -2.4574 -2.4574 -0.9863 -0.9863 -0.5786 -0.5786 -0.5783 -0.5783 -0.4902 -0.4902 -0.4835 -0.4835 1.4073 1.4073 2.9681 2.9681 2.9754 2.9754 3.7193 3.7193 3.7287 3.7287 3.7353 3.7353 4.1838 4.1838 4.1974 4.1974 4.7582 4.7582 5.3428 5.3428 5.3547 5.3547 6.8701 6.8701 6.8879 6.8879 6.9060 6.9060 7.0224 7.0224 7.1408 7.1408 7.2170 7.2170 7.9305 7.9305 7.9520 7.9520 8.7113 8.7113 8.7429 8.7429 11.1551 11.1551 11.7899 11.7899 12.5481 12.5481 16.5756 16.5756 k = 0.1406 0.0637 0.0418 ( 3338 PWs) bands (ev): -16.2284 -16.2284 -15.6831 -15.6831 -12.7931 -12.7931 -12.7926 -12.7926 -12.6037 -12.6037 -12.6014 -12.6014 -2.6174 -2.6174 -2.4419 -2.4419 -1.0291 -1.0291 -0.5811 -0.5811 -0.5809 -0.5809 -0.4911 -0.4911 -0.4843 -0.4843 1.4289 1.4289 2.9632 2.9632 2.9707 2.9707 3.7122 3.7122 3.7459 3.7459 3.7585 3.7585 4.1608 4.1608 4.1742 4.1742 4.7767 4.7767 5.3591 5.3591 5.3709 5.3709 6.8646 6.8646 6.8836 6.8836 6.9012 6.9012 7.0212 7.0212 7.1401 7.1401 7.2208 7.2208 7.9227 7.9227 7.9451 7.9451 8.7225 8.7225 8.7547 8.7547 11.1769 11.1769 11.8080 11.8080 12.4788 12.4788 16.6425 16.6425 k = 0.1250 0.0566 0.0372 ( 3345 PWs) bands (ev): -16.2341 -16.2341 -15.6767 -15.6767 -12.7951 -12.7951 -12.7946 -12.7946 -12.6015 -12.6015 -12.5992 -12.5992 -2.6140 -2.6140 -2.4270 -2.4270 -1.0687 -1.0687 -0.5834 -0.5834 -0.5833 -0.5833 -0.4920 -0.4920 -0.4851 -0.4851 1.4481 1.4481 2.9589 2.9589 2.9666 2.9666 3.7013 3.7013 3.7680 3.7680 3.7816 3.7816 4.1382 4.1382 4.1513 4.1513 4.7937 4.7937 5.3738 5.3738 5.3856 5.3856 6.8594 6.8594 6.8796 6.8796 6.8967 6.8967 7.0200 7.0200 7.1393 7.1393 7.2242 7.2242 7.9157 7.9157 7.9388 7.9388 8.7327 8.7327 8.7652 8.7652 11.1997 11.1997 11.8245 11.8245 12.4132 12.4132 16.7044 16.7044 k = 0.1094 0.0496 0.0325 ( 3339 PWs) bands (ev): -16.2391 -16.2391 -15.6711 -15.6711 -12.7969 -12.7969 -12.7964 -12.7964 -12.5995 -12.5995 -12.5973 -12.5973 -2.6109 -2.6109 -2.4128 -2.4128 -1.1048 -1.1048 -0.5855 -0.5855 -0.5854 -0.5854 -0.4928 -0.4928 -0.4859 -0.4859 1.4649 1.4649 2.9552 2.9552 2.9630 2.9630 3.6913 3.6913 3.7900 3.7900 3.8044 3.8044 4.1160 4.1160 4.1286 4.1286 4.8091 4.8091 5.3871 5.3871 5.3988 5.3988 6.8548 6.8548 6.8759 6.8759 6.8927 6.8927 7.0189 7.0189 7.1386 7.1386 7.2273 7.2273 7.9096 7.9096 7.9334 7.9334 8.7417 8.7417 8.7747 8.7747 11.2232 11.2232 11.8392 11.8392 12.3518 12.3518 16.7611 16.7611 k = 0.0938 0.0425 0.0279 ( 3333 PWs) bands (ev): -16.2435 -16.2435 -15.6661 -15.6661 -12.7984 -12.7984 -12.7979 -12.7979 -12.5978 -12.5978 -12.5956 -12.5956 -2.6081 -2.6081 -2.3997 -2.3997 -1.1369 -1.1369 -0.5873 -0.5873 -0.5872 -0.5872 -0.4935 -0.4935 -0.4866 -0.4866 1.4795 1.4795 2.9520 2.9520 2.9598 2.9598 3.6826 3.6826 3.8118 3.8118 3.8270 3.8270 4.0941 4.0941 4.1062 4.1062 4.8228 4.8228 5.3987 5.3987 5.4103 5.4103 6.8507 6.8507 6.8727 6.8727 6.8893 6.8893 7.0179 7.0179 7.1380 7.1380 7.2300 7.2300 7.9043 7.9043 7.9287 7.9287 8.7496 8.7496 8.7829 8.7829 11.2466 11.2466 11.8521 11.8521 12.2955 12.2955 16.8118 16.8118 k = 0.0781 0.0354 0.0232 ( 3339 PWs) bands (ev): -16.2472 -16.2472 -15.6619 -15.6619 -12.7997 -12.7997 -12.7992 -12.7992 -12.5964 -12.5964 -12.5941 -12.5941 -2.6057 -2.6057 -2.3880 -2.3880 -1.1648 -1.1648 -0.5888 -0.5888 -0.5888 -0.5888 -0.4942 -0.4942 -0.4872 -0.4872 1.4917 1.4917 2.9492 2.9492 2.9572 2.9572 3.6752 3.6752 3.8332 3.8332 3.8492 3.8492 4.0727 4.0727 4.0841 4.0841 4.8346 4.8346 5.4087 5.4087 5.4202 5.4202 6.8470 6.8470 6.8698 6.8698 6.8862 6.8862 7.0169 7.0169 7.1374 7.1374 7.2323 7.2323 7.8998 7.8998 7.9248 7.9248 8.7563 8.7563 8.7899 8.7899 11.2692 11.2692 11.8631 11.8631 12.2448 12.2448 16.8560 16.8560 k = 0.0625 0.0283 0.0186 ( 3324 PWs) bands (ev): -16.2502 -16.2502 -15.6584 -15.6584 -12.8008 -12.8008 -12.8003 -12.8003 -12.5952 -12.5952 -12.5929 -12.5929 -2.6038 -2.6038 -2.3778 -2.3778 -1.1882 -1.1882 -0.5901 -0.5901 -0.5901 -0.5901 -0.4947 -0.4947 -0.4877 -0.4877 1.5016 1.5016 2.9470 2.9470 2.9551 2.9551 3.6691 3.6691 3.8539 3.8539 3.8711 3.8711 4.0519 4.0519 4.0625 4.0625 4.8444 4.8444 5.4170 5.4170 5.4284 5.4284 6.8441 6.8441 6.8674 6.8674 6.8837 6.8837 7.0162 7.0162 7.1368 7.1368 7.2344 7.2344 7.8962 7.8962 7.9216 7.9216 8.7619 8.7619 8.7957 8.7957 11.2901 11.2901 11.8723 11.8723 12.2010 12.2010 16.8933 16.8933 k = 0.0469 0.0212 0.0139 ( 3324 PWs) bands (ev): -16.2526 -16.2526 -15.6557 -15.6557 -12.8016 -12.8016 -12.8012 -12.8012 -12.5943 -12.5943 -12.5920 -12.5920 -2.6022 -2.6022 -2.3696 -2.3696 -1.2068 -1.2068 -0.5912 -0.5912 -0.5911 -0.5911 -0.4952 -0.4952 -0.4881 -0.4881 1.5094 1.5094 2.9453 2.9453 2.9534 2.9534 3.6643 3.6643 3.8736 3.8736 3.8922 3.8922 4.0322 4.0322 4.0415 4.0415 4.8521 4.8521 5.4234 5.4234 5.4349 5.4349 6.8417 6.8417 6.8654 6.8654 6.8817 6.8817 7.0156 7.0156 7.1364 7.1364 7.2359 7.2359 7.8934 7.8934 7.9191 7.9191 8.7662 8.7662 8.8002 8.8002 11.3081 11.3081 11.8794 11.8794 12.1650 12.1650 16.9229 16.9229 k = 0.0312 0.0142 0.0093 ( 3336 PWs) bands (ev): -16.2543 -16.2543 -15.6538 -15.6538 -12.8022 -12.8022 -12.8018 -12.8018 -12.5936 -12.5936 -12.5913 -12.5913 -2.6011 -2.6011 -2.3635 -2.3635 -1.2202 -1.2202 -0.5919 -0.5919 -0.5918 -0.5918 -0.4955 -0.4955 -0.4884 -0.4884 1.5149 1.5149 2.9441 2.9441 2.9522 2.9522 3.6609 3.6609 3.8914 3.8914 3.9120 3.9120 4.0145 4.0145 4.0219 4.0219 4.8577 4.8577 5.4281 5.4281 5.4395 5.4395 6.8399 6.8399 6.8640 6.8640 6.8802 6.8802 7.0151 7.0151 7.1361 7.1361 7.2370 7.2370 7.8913 7.8913 7.9173 7.9173 8.7692 8.7692 8.8034 8.8034 11.3222 11.3222 11.8845 11.8845 12.1381 12.1381 16.9446 16.9446 k = 0.0156 0.0071 0.0046 ( 3336 PWs) bands (ev): -16.2553 -16.2553 -15.6526 -15.6526 -12.8026 -12.8026 -12.8022 -12.8022 -12.5932 -12.5932 -12.5909 -12.5909 -2.6004 -2.6004 -2.3598 -2.3598 -1.2284 -1.2284 -0.5923 -0.5923 -0.5922 -0.5922 -0.4957 -0.4957 -0.4886 -0.4886 1.5181 1.5181 2.9433 2.9433 2.9515 2.9515 3.6588 3.6588 3.9051 3.9051 3.9283 3.9283 4.0008 4.0008 4.0056 4.0056 4.8610 4.8610 5.4309 5.4309 5.4423 5.4423 6.8389 6.8389 6.8631 6.8631 6.8794 6.8794 7.0148 7.0148 7.1359 7.1359 7.2376 7.2376 7.8901 7.8901 7.9162 7.9162 8.7711 8.7711 8.8053 8.8053 11.3312 11.3312 11.8876 11.8876 12.1214 12.1214 16.9577 16.9577 k = 0.0000 0.0000 0.0000 ( 3345 PWs) bands (ev): -16.2556 -16.2556 -15.6522 -15.6522 -12.8027 -12.8027 -12.8023 -12.8023 -12.5931 -12.5931 -12.5908 -12.5908 -2.6002 -2.6002 -2.3586 -2.3586 -1.2311 -1.2311 -0.5925 -0.5925 -0.5923 -0.5923 -0.4958 -0.4958 -0.4887 -0.4887 1.5192 1.5192 2.9430 2.9430 2.9513 2.9513 3.6581 3.6581 3.9106 3.9106 3.9356 3.9356 3.9953 3.9953 3.9983 3.9983 4.8622 4.8622 5.4318 5.4318 5.4432 5.4432 6.8385 6.8385 6.8628 6.8628 6.8791 6.8791 7.0147 7.0147 7.1358 7.1358 7.2378 7.2378 7.8896 7.8896 7.9158 7.9158 8.7717 8.7717 8.8059 8.8059 11.3343 11.3343 11.8886 11.8886 12.1157 12.1157 16.9621 16.9621 k = 0.0000 0.0000 0.0000 ( 3345 PWs) bands (ev): -16.2556 -16.2556 -15.6522 -15.6522 -12.8027 -12.8027 -12.8023 -12.8023 -12.5931 -12.5931 -12.5908 -12.5908 -2.6002 -2.6002 -2.3586 -2.3586 -1.2311 -1.2311 -0.5925 -0.5925 -0.5923 -0.5923 -0.4958 -0.4958 -0.4887 -0.4887 1.5192 1.5192 2.9430 2.9430 2.9513 2.9513 3.6581 3.6581 3.9106 3.9106 3.9356 3.9356 3.9953 3.9953 3.9983 3.9983 4.8622 4.8622 5.4318 5.4318 5.4432 5.4432 6.8385 6.8385 6.8628 6.8628 6.8791 6.8791 7.0147 7.0147 7.1358 7.1358 7.2378 7.2378 7.8896 7.8896 7.9158 7.9158 8.7717 8.7717 8.8059 8.8059 11.3343 11.3343 11.8886 11.8886 12.1157 12.1157 16.9621 16.9621 k = 0.0073-0.0064-0.0148 ( 3337 PWs) bands (ev): -16.2552 -16.2552 -15.6522 -15.6522 -12.8028 -12.8028 -12.8024 -12.8024 -12.5935 -12.5935 -12.5911 -12.5911 -2.5992 -2.5992 -2.3580 -2.3580 -1.2303 -1.2303 -0.5933 -0.5933 -0.5917 -0.5917 -0.4952 -0.4952 -0.4881 -0.4881 1.5173 1.5173 2.9440 2.9440 2.9524 2.9524 3.6584 3.6584 3.9089 3.9089 3.9336 3.9336 3.9959 3.9959 3.9989 3.9989 4.8623 4.8623 5.4302 5.4302 5.4417 5.4417 6.8386 6.8386 6.8630 6.8630 6.8794 6.8794 7.0146 7.0146 7.1357 7.1357 7.2382 7.2382 7.8896 7.8896 7.9158 7.9158 8.7711 8.7711 8.8053 8.8053 11.3360 11.3360 11.8884 11.8884 12.1187 12.1187 16.9650 16.9650 k = 0.0146-0.0128-0.0296 ( 3329 PWs) bands (ev): -16.2541 -16.2541 -15.6523 -15.6523 -12.8032 -12.8032 -12.8027 -12.8027 -12.5946 -12.5946 -12.5919 -12.5919 -2.5962 -2.5962 -2.3564 -2.3564 -1.2276 -1.2276 -0.5960 -0.5960 -0.5898 -0.5898 -0.4940 -0.4940 -0.4861 -0.4861 1.5116 1.5116 2.9462 2.9462 2.9563 2.9563 3.6592 3.6592 3.9030 3.9030 3.9287 3.9287 3.9959 3.9959 4.0018 4.0018 4.8626 4.8626 5.4253 5.4253 5.4374 5.4374 6.8389 6.8389 6.8638 6.8638 6.8802 6.8802 7.0142 7.0142 7.1354 7.1354 7.2392 7.2392 7.8895 7.8895 7.9158 7.9158 8.7693 8.7693 8.8034 8.8034 11.3411 11.3411 11.8878 11.8878 12.1277 12.1277 16.9737 16.9737 k = 0.0219-0.0192-0.0444 ( 3331 PWs) bands (ev): -16.2522 -16.2522 -15.6525 -15.6525 -12.8038 -12.8038 -12.8031 -12.8031 -12.5970 -12.5970 -12.5929 -12.5929 -2.5913 -2.5913 -2.3536 -2.3536 -1.2233 -1.2233 -0.6005 -0.6005 -0.5865 -0.5865 -0.4926 -0.4926 -0.4821 -0.4821 1.5022 1.5022 2.9483 2.9483 2.9639 2.9639 3.6600 3.6600 3.8917 3.8917 3.9236 3.9236 3.9943 3.9943 4.0072 4.0072 4.8631 4.8631 5.4164 5.4164 5.4312 5.4312 6.8393 6.8393 6.8650 6.8650 6.8817 6.8817 7.0135 7.0135 7.1348 7.1348 7.2407 7.2407 7.8892 7.8892 7.9157 7.9157 8.7663 8.7663 8.8003 8.8003 11.3496 11.3496 11.8868 11.8868 12.1427 12.1427 16.9881 16.9881 k = 0.0292-0.0256-0.0592 ( 3327 PWs) bands (ev): -16.2495 -16.2495 -15.6526 -15.6526 -12.8047 -12.8047 -12.8036 -12.8036 -12.6004 -12.6004 -12.5940 -12.5940 -2.5844 -2.5844 -2.3498 -2.3498 -1.2172 -1.2172 -0.6065 -0.6065 -0.5819 -0.5819 -0.4913 -0.4913 -0.4759 -0.4759 1.4893 1.4893 2.9504 2.9504 2.9751 2.9751 3.6605 3.6605 3.8744 3.8744 3.9205 3.9205 3.9910 3.9910 4.0142 4.0142 4.8638 4.8638 5.4033 5.4033 5.4236 5.4236 6.8397 6.8397 6.8665 6.8665 6.8837 6.8837 7.0126 7.0126 7.1340 7.1340 7.2429 7.2429 7.8888 7.8888 7.9156 7.9156 8.7621 8.7621 8.7959 8.7959 11.3614 11.3614 11.8855 11.8855 12.1634 12.1634 17.0082 17.0082 k = 0.0365-0.0320-0.0739 ( 3331 PWs) bands (ev): -16.2461 -16.2461 -15.6529 -15.6529 -12.8059 -12.8059 -12.8043 -12.8043 -12.6049 -12.6049 -12.5954 -12.5954 -2.5756 -2.5756 -2.3449 -2.3449 -1.2094 -1.2094 -0.6140 -0.6140 -0.5760 -0.5760 -0.4902 -0.4902 -0.4676 -0.4676 1.4732 1.4732 2.9528 2.9528 2.9893 2.9893 3.6598 3.6598 3.8518 3.8518 3.9200 3.9200 3.9857 3.9857 4.0223 4.0223 4.8647 4.8647 5.3862 5.3862 5.4146 5.4146 6.8402 6.8402 6.8684 6.8684 6.8863 6.8863 7.0114 7.0114 7.1329 7.1329 7.2457 7.2457 7.8882 7.8882 7.9156 7.9156 8.7567 8.7567 8.7904 8.7904 11.3762 11.3762 11.8839 11.8839 12.1900 12.1900 17.0337 17.0337 k = 0.0438-0.0384-0.0887 ( 3339 PWs) bands (ev): -16.2420 -16.2420 -15.6533 -15.6533 -12.8073 -12.8073 -12.8052 -12.8052 -12.6104 -12.6104 -12.5970 -12.5970 -2.5649 -2.5649 -2.3389 -2.3389 -1.2000 -1.2000 -0.6227 -0.6227 -0.5689 -0.5689 -0.4893 -0.4893 -0.4575 -0.4575 1.4543 1.4543 2.9554 2.9554 3.0059 3.0059 3.6572 3.6572 3.8246 3.8246 3.9223 3.9223 3.9784 3.9784 4.0315 4.0315 4.8657 4.8657 5.3656 5.3656 5.4043 5.4043 6.8405 6.8405 6.8704 6.8704 6.8895 6.8895 7.0099 7.0099 7.1314 7.1314 7.2488 7.2488 7.8876 7.8876 7.9159 7.9159 8.7502 8.7502 8.7839 8.7839 11.3939 11.3939 11.8820 11.8820 12.2221 12.2221 17.0644 17.0644 k = 0.0511-0.0448-0.1035 ( 3341 PWs) bands (ev): -16.2371 -16.2371 -15.6537 -15.6537 -12.8090 -12.8090 -12.8061 -12.8061 -12.6169 -12.6169 -12.5989 -12.5989 -2.5524 -2.5524 -2.3319 -2.3319 -1.1889 -1.1889 -0.6326 -0.6326 -0.5606 -0.5606 -0.4883 -0.4883 -0.4455 -0.4455 1.4328 1.4328 2.9584 2.9584 3.0245 3.0245 3.6521 3.6521 3.7931 3.7931 3.9279 3.9279 3.9690 3.9690 4.0417 4.0417 4.8668 4.8668 5.3419 5.3419 5.3928 5.3928 6.8409 6.8409 6.8726 6.8726 6.8933 6.8933 7.0082 7.0082 7.1297 7.1297 7.2523 7.2523 7.8869 7.8869 7.9166 7.9166 8.7426 8.7426 8.7766 8.7766 11.4144 11.4144 11.8800 11.8800 12.2596 12.2596 17.1003 17.1003 k = 0.0584-0.0512-0.1183 ( 3341 PWs) bands (ev): -16.2316 -16.2316 -15.6542 -15.6542 -12.8108 -12.8108 -12.8073 -12.8073 -12.6243 -12.6243 -12.6010 -12.6010 -2.5381 -2.5381 -2.3239 -2.3239 -1.1763 -1.1763 -0.6434 -0.6434 -0.5511 -0.5511 -0.4875 -0.4875 -0.4319 -0.4319 1.4091 1.4091 2.9616 2.9616 3.0445 3.0445 3.6438 3.6438 3.7578 3.7578 3.9367 3.9367 3.9579 3.9579 4.0530 4.0530 4.8680 4.8680 5.3156 5.3156 5.3802 5.3802 6.8411 6.8411 6.8749 6.8749 6.8975 6.8975 7.0064 7.0064 7.1276 7.1276 7.2560 7.2560 7.8860 7.8860 7.9179 7.9179 8.7338 8.7338 8.7687 8.7687 11.4373 11.4373 11.8778 11.8778 12.3022 12.3022 17.1408 17.1408 k = 0.0657-0.0576-0.1331 ( 3345 PWs) bands (ev): -16.2253 -16.2253 -15.6548 -15.6548 -12.8128 -12.8128 -12.8086 -12.8086 -12.6325 -12.6325 -12.6034 -12.6034 -2.5221 -2.5221 -2.3149 -2.3149 -1.1622 -1.1622 -0.6548 -0.6548 -0.5405 -0.5405 -0.4867 -0.4867 -0.4167 -0.4167 1.3836 1.3836 2.9651 2.9651 3.0655 3.0655 3.6323 3.6323 3.7189 3.7189 3.9420 3.9420 3.9519 3.9519 4.0654 4.0654 4.8692 4.8692 5.2871 5.2871 5.3669 5.3669 6.8411 6.8411 6.8771 6.8771 6.9023 6.9023 7.0044 7.0044 7.1251 7.1251 7.2599 7.2599 7.8848 7.8848 7.9199 7.9199 8.7237 8.7237 8.7603 8.7603 11.4623 11.4623 11.8756 11.8756 12.3499 12.3499 17.1857 17.1857 k = 0.0730-0.0640-0.1479 ( 3337 PWs) bands (ev): -16.2183 -16.2183 -15.6555 -15.6555 -12.8149 -12.8149 -12.8101 -12.8101 -12.6415 -12.6415 -12.6060 -12.6060 -2.5044 -2.5044 -2.3049 -2.3049 -1.1467 -1.1467 -0.6667 -0.6667 -0.5289 -0.5289 -0.4860 -0.4860 -0.4001 -0.4001 1.3566 1.3566 2.9688 2.9688 3.0871 3.0871 3.6173 3.6173 3.6765 3.6765 3.9284 3.9284 3.9662 3.9662 4.0791 4.0791 4.8703 4.8703 5.2566 5.2566 5.3529 5.3529 6.8409 6.8409 6.8792 6.8792 6.9074 6.9074 7.0025 7.0025 7.1223 7.1223 7.2638 7.2638 7.8836 7.8836 7.9230 7.9230 8.7125 8.7125 8.7517 8.7517 11.4892 11.4892 11.8734 11.8734 12.4022 12.4022 17.2346 17.2346 k = 0.0803-0.0704-0.1627 ( 3329 PWs) bands (ev): -16.2107 -16.2107 -15.6563 -15.6563 -12.8172 -12.8172 -12.8118 -12.8118 -12.6513 -12.6513 -12.6089 -12.6089 -2.4851 -2.4851 -2.2940 -2.2940 -1.1299 -1.1299 -0.6788 -0.6788 -0.5163 -0.5163 -0.4854 -0.4854 -0.3822 -0.3822 1.3284 1.3284 2.9726 2.9726 3.1087 3.1087 3.5985 3.5985 3.6315 3.6315 3.9121 3.9121 3.9843 3.9843 4.0942 4.0942 4.8712 4.8712 5.2247 5.2247 5.3388 5.3388 6.8404 6.8404 6.8811 6.8811 6.9129 6.9129 7.0006 7.0006 7.1192 7.1192 7.2676 7.2676 7.8820 7.8820 7.9271 7.9271 8.7001 8.7001 8.7431 8.7431 11.5177 11.5177 11.8715 11.8715 12.4590 12.4590 17.2869 17.2869 k = 0.0876-0.0768-0.1775 ( 3327 PWs) bands (ev): -16.2025 -16.2025 -15.6573 -15.6573 -12.8195 -12.8195 -12.8136 -12.8136 -12.6618 -12.6618 -12.6120 -12.6120 -2.4643 -2.4643 -2.2823 -2.2823 -1.1121 -1.1121 -0.6908 -0.6908 -0.5028 -0.5028 -0.4850 -0.4850 -0.3630 -0.3630 1.2993 1.2993 2.9764 2.9764 3.1299 3.1299 3.5713 3.5713 3.5889 3.5889 3.8943 3.8943 4.0046 4.0046 4.1108 4.1108 4.8720 4.8720 5.1915 5.1915 5.3246 5.3246 6.8396 6.8396 6.8827 6.8827 6.9186 6.9186 6.9989 6.9989 7.1158 7.1158 7.2712 7.2712 7.8802 7.8802 7.9324 7.9324 8.6864 8.6864 8.7346 8.7346 11.5475 11.5475 11.8698 11.8698 12.5199 12.5199 17.3418 17.3418 k = 0.0949-0.0832-0.1923 ( 3327 PWs) bands (ev): -16.1937 -16.1937 -15.6584 -15.6584 -12.8218 -12.8218 -12.8156 -12.8156 -12.6730 -12.6730 -12.6153 -12.6153 -2.4421 -2.4421 -2.2696 -2.2696 -1.0934 -1.0934 -0.7023 -0.7023 -0.4886 -0.4886 -0.4846 -0.4846 -0.3428 -0.3428 1.2695 1.2695 2.9801 2.9801 3.1503 3.1503 3.5248 3.5248 3.5601 3.5601 3.8754 3.8754 4.0264 4.0264 4.1288 4.1288 4.8724 4.8724 5.1575 5.1575 5.3109 5.3109 6.8385 6.8385 6.8839 6.8839 6.9244 6.9244 6.9975 6.9975 7.1122 7.1122 7.2745 7.2745 7.8782 7.8782 7.9389 7.9389 8.6715 8.6715 8.7262 8.7262 11.5781 11.5781 11.8687 11.8687 12.5848 12.5848 17.3977 17.3977 k = 0.1022-0.0897-0.2071 ( 3333 PWs) bands (ev): -16.1843 -16.1843 -15.6596 -15.6596 -12.8241 -12.8241 -12.8178 -12.8178 -12.6847 -12.6847 -12.6188 -12.6188 -2.4186 -2.4186 -2.2562 -2.2562 -1.0741 -1.0741 -0.7129 -0.7129 -0.4844 -0.4844 -0.4738 -0.4738 -0.3217 -0.3217 1.2394 1.2394 2.9837 2.9837 3.1695 3.1695 3.4707 3.4707 3.5338 3.5338 3.8558 3.8558 4.0494 4.0494 4.1483 4.1483 4.8724 4.8724 5.1230 5.1230 5.2979 5.2979 6.8370 6.8370 6.8845 6.8845 6.9302 6.9302 6.9964 6.9964 7.1083 7.1083 7.2773 7.2773 7.8759 7.8759 7.9468 7.9468 8.6555 8.6555 8.7182 8.7182 11.6093 11.6093 11.8682 11.8682 12.6533 12.6533 17.4501 17.4501 k = 0.1095-0.0961-0.2218 ( 3333 PWs) bands (ev): -16.1743 -16.1743 -15.6611 -15.6611 -12.8264 -12.8264 -12.8202 -12.8202 -12.6969 -12.6969 -12.6225 -12.6225 -2.3938 -2.3938 -2.2419 -2.2419 -1.0548 -1.0548 -0.7219 -0.7219 -0.4843 -0.4843 -0.4584 -0.4584 -0.2998 -0.2998 1.2091 1.2091 2.9869 2.9869 3.1873 3.1873 3.4136 3.4136 3.5061 3.5061 3.8356 3.8356 4.0730 4.0730 4.1690 4.1690 4.8721 4.8721 5.0881 5.0881 5.2859 5.2859 6.8351 6.8351 6.8847 6.8847 6.9361 6.9361 6.9959 6.9959 7.1043 7.1043 7.2797 7.2797 7.8736 7.8736 7.9561 7.9561 8.6385 8.6385 8.7105 8.7105 11.6406 11.6406 11.8686 11.8686 12.7250 12.7250 17.4702 17.4704 k = 0.1168-0.1025-0.2366 ( 3333 PWs) bands (ev): -16.1638 -16.1638 -15.6627 -15.6627 -12.8286 -12.8286 -12.8229 -12.8229 -12.7096 -12.7096 -12.6264 -12.6264 -2.3679 -2.3679 -2.2269 -2.2269 -1.0359 -1.0359 -0.7288 -0.7288 -0.4843 -0.4843 -0.4428 -0.4428 -0.2773 -0.2773 1.1788 1.1788 2.9898 2.9898 3.2033 3.2033 3.3541 3.3541 3.4768 3.4768 3.8153 3.8153 4.0969 4.0969 4.1906 4.1906 4.8713 4.8713 5.0531 5.0531 5.2753 5.2753 6.8328 6.8328 6.8845 6.8845 6.9419 6.9419 6.9959 6.9959 7.1004 7.1004 7.2815 7.2815 7.8712 7.8712 7.9667 7.9667 8.6205 8.6205 8.7032 8.7032 11.6715 11.6715 11.8701 11.8701 12.7998 12.7998 17.4053 17.4054 k = 0.1241-0.1089-0.2514 ( 3329 PWs) bands (ev): -16.1529 -16.1529 -15.6644 -15.6644 -12.8307 -12.8307 -12.8257 -12.8257 -12.7227 -12.7227 -12.6305 -12.6305 -2.3409 -2.3409 -2.2112 -2.2112 -1.0182 -1.0182 -0.7327 -0.7327 -0.4845 -0.4845 -0.4269 -0.4269 -0.2545 -0.2545 1.1487 1.1487 2.9921 2.9921 3.2174 3.2174 3.2930 3.2930 3.4458 3.4458 3.7950 3.7950 4.1207 4.1207 4.2129 4.2129 4.8703 4.8703 5.0183 5.0183 5.2663 5.2663 6.8301 6.8301 6.8837 6.8837 6.9474 6.9474 6.9965 6.9965 7.0964 7.0964 7.2828 7.2828 7.8688 7.8688 7.9786 7.9786 8.6018 8.6018 8.6962 8.6962 11.7015 11.7015 11.8733 11.8733 12.8774 12.8774 17.3285 17.3285 k = 0.1314-0.1153-0.2662 ( 3331 PWs) bands (ev): -16.1414 -16.1414 -15.6664 -15.6664 -12.8326 -12.8326 -12.8287 -12.8287 -12.7361 -12.7361 -12.6347 -12.6347 -2.3131 -2.3131 -2.1948 -2.1948 -1.0026 -1.0026 -0.7326 -0.7326 -0.4848 -0.4848 -0.4111 -0.4111 -0.2314 -0.2314 1.1190 1.1190 2.9937 2.9937 3.2259 3.2259 3.2342 3.2342 3.4134 3.4134 3.7752 3.7752 4.1440 4.1440 4.2358 4.2358 4.8690 4.8690 4.9838 4.9838 5.2592 5.2592 6.8270 6.8270 6.8826 6.8826 6.9526 6.9526 6.9976 6.9976 7.0926 7.0926 7.2836 7.2836 7.8664 7.8664 7.9917 7.9917 8.5824 8.5824 8.6895 8.6895 11.7298 11.7298 11.8787 11.8787 12.9575 12.9575 17.2506 17.2506 k = 0.1387-0.1217-0.2810 ( 3333 PWs) bands (ev): -16.1296 -16.1296 -15.6686 -15.6686 -12.8344 -12.8344 -12.8319 -12.8319 -12.7497 -12.7497 -12.6390 -12.6390 -2.2844 -2.2844 -2.1778 -2.1778 -0.9899 -0.9899 -0.7275 -0.7275 -0.4853 -0.4853 -0.3955 -0.3955 -0.2083 -0.2083 1.0897 1.0897 2.9944 2.9944 3.1666 3.1666 3.2402 3.2402 3.3796 3.3796 3.7560 3.7560 4.1660 4.1660 4.2591 4.2591 4.8677 4.8677 4.9499 4.9499 5.2541 5.2541 6.8236 6.8236 6.8812 6.8812 6.9571 6.9571 6.9994 6.9994 7.0888 7.0888 7.2840 7.2840 7.8640 7.8640 8.0060 8.0060 8.5624 8.5624 8.6833 8.6833 11.7556 11.7556 11.8869 11.8869 13.0397 13.0397 17.1725 17.1725 k = 0.1460-0.1281-0.2958 ( 3333 PWs) bands (ev): -16.1174 -16.1174 -15.6711 -15.6711 -12.8360 -12.8360 -12.8353 -12.8353 -12.7635 -12.7635 -12.6434 -12.6434 -2.2552 -2.2552 -2.1601 -2.1601 -0.9807 -0.9807 -0.7168 -0.7168 -0.4859 -0.4859 -0.3803 -0.3803 -0.1855 -0.1855 1.0610 1.0610 2.9941 2.9941 3.1032 3.1032 3.2481 3.2481 3.3447 3.3447 3.7377 3.7377 4.1856 4.1856 4.2831 4.2831 4.8665 4.8665 4.9167 4.9167 5.2512 5.2512 6.8199 6.8199 6.8796 6.8796 6.9610 6.9610 7.0019 7.0019 7.0853 7.0853 7.2840 7.2840 7.8618 7.8618 8.0214 8.0214 8.5418 8.5418 8.6773 8.6773 11.7782 11.7782 11.8987 11.8987 13.1239 13.1239 17.0947 17.0947 k = 0.1534-0.1345-0.3106 ( 3329 PWs) bands (ev): -16.1049 -16.1049 -15.6737 -15.6737 -12.8392 -12.8392 -12.8370 -12.8370 -12.7773 -12.7773 -12.6480 -12.6480 -2.2254 -2.2254 -2.1418 -2.1418 -0.9751 -0.9751 -0.7003 -0.7003 -0.4867 -0.4867 -0.3658 -0.3658 -0.1632 -0.1632 1.0330 1.0330 2.9911 2.9911 3.0414 3.0414 3.2537 3.2537 3.3090 3.3090 3.7207 3.7207 4.2019 4.2019 4.3084 4.3084 4.8651 4.8651 4.8849 4.8849 5.2504 5.2504 6.8163 6.8163 6.8778 6.8778 6.9638 6.9638 7.0050 7.0050 7.0820 7.0820 7.2838 7.2838 7.8597 7.8597 8.0377 8.0377 8.5207 8.5207 8.6716 8.6716 11.7969 11.7969 11.9143 11.9143 13.2099 13.2099 17.0173 17.0173 k = 0.1607-0.1409-0.3254 ( 3329 PWs) bands (ev): -16.0921 -16.0921 -15.6766 -15.6766 -12.8431 -12.8431 -12.8380 -12.8380 -12.7912 -12.7912 -12.6526 -12.6526 -2.1954 -2.1954 -2.1228 -2.1228 -0.9728 -0.9728 -0.6783 -0.6783 -0.4876 -0.4876 -0.3521 -0.3521 -0.1415 -0.1415 1.0058 1.0058 2.9665 2.9665 3.0009 3.0009 3.2549 3.2549 3.2748 3.2748 3.7051 3.7051 4.2138 4.2138 4.3350 4.3350 4.8500 4.8500 4.8685 4.8685 5.2517 5.2517 6.8125 6.8125 6.8758 6.8758 6.9656 6.9656 7.0087 7.0087 7.0790 7.0790 7.2836 7.2836 7.8578 7.8578 8.0549 8.0549 8.4993 8.4993 8.6662 8.6662 11.8122 11.8122 11.9332 11.9332 13.2972 13.2972 16.9406 16.9406 k = 0.1680-0.1473-0.3402 ( 3329 PWs) bands (ev): -16.0790 -16.0790 -15.6798 -15.6798 -12.8473 -12.8473 -12.8387 -12.8387 -12.8049 -12.8049 -12.6573 -12.6573 -2.1653 -2.1653 -2.1031 -2.1031 -0.9730 -0.9730 -0.6515 -0.6515 -0.4887 -0.4887 -0.3397 -0.3397 -0.1209 -0.1209 0.9793 0.9793 2.9085 2.9085 2.9939 2.9939 3.2302 3.2302 3.2639 3.2639 3.6910 3.6910 4.2210 4.2210 4.3631 4.3631 4.8203 4.8203 4.8686 4.8686 5.2549 5.2549 6.8088 6.8088 6.8738 6.8738 6.9663 6.9663 7.0129 7.0129 7.0762 7.0762 7.2833 7.2833 7.8562 7.8562 8.0728 8.0728 8.4775 8.4775 8.6609 8.6609 11.8250 11.8250 11.9546 11.9546 13.3858 13.3858 16.8647 16.8647 k = 0.1753-0.1537-0.3549 ( 3331 PWs) bands (ev): -16.0657 -16.0657 -15.6832 -15.6832 -12.8516 -12.8516 -12.8391 -12.8391 -12.8185 -12.8185 -12.6620 -12.6620 -2.1356 -2.1356 -2.0826 -2.0826 -0.9749 -0.9749 -0.6206 -0.6206 -0.4899 -0.4899 -0.3286 -0.3286 -0.1014 -0.1014 0.9537 0.9537 2.8482 2.8482 2.9900 2.9900 3.1924 3.1924 3.2636 3.2636 3.6786 3.6786 4.2232 4.2232 4.3923 4.3923 4.7909 4.7909 4.8706 4.8706 5.2600 5.2600 6.8054 6.8054 6.8715 6.8715 6.9661 6.9661 7.0173 7.0173 7.0738 7.0738 7.2833 7.2833 7.8548 7.8548 8.0914 8.0914 8.4554 8.4554 8.6558 8.6558 11.8363 11.8363 11.9772 11.9772 13.4755 13.4755 16.7898 16.7898 k = 0.1826-0.1601-0.3697 ( 3333 PWs) bands (ev): -16.0523 -16.0523 -15.6869 -15.6869 -12.8563 -12.8563 -12.8396 -12.8396 -12.8313 -12.8313 -12.6668 -12.6668 -2.1065 -2.1065 -2.0609 -2.0609 -0.9778 -0.9778 -0.5863 -0.5863 -0.4912 -0.4912 -0.3192 -0.3192 -0.0833 -0.0833 0.9289 0.9289 2.7893 2.7893 2.9860 2.9860 3.1532 3.1532 3.2627 3.2627 3.6678 3.6678 4.2207 4.2207 4.4223 4.4223 4.7626 4.7626 4.8740 4.8740 5.2666 5.2666 6.8022 6.8022 6.8692 6.8692 6.9650 6.9650 7.0215 7.0215 7.0719 7.0719 7.2836 7.2836 7.8537 7.8537 8.1104 8.1104 8.4332 8.4332 8.6508 8.6508 11.8470 11.8470 12.0000 12.0000 13.5659 13.5659 16.7162 16.7162 k = 0.1899-0.1665-0.3845 ( 3331 PWs) bands (ev): -16.0387 -16.0387 -15.6908 -15.6908 -12.8611 -12.8611 -12.8465 -12.8465 -12.8371 -12.8371 -12.6716 -12.6716 -2.0787 -2.0787 -2.0378 -2.0378 -0.9811 -0.9811 -0.5494 -0.5494 -0.4927 -0.4927 -0.3117 -0.3117 -0.0670 -0.0670 0.9051 0.9051 2.7328 2.7328 2.9818 2.9818 3.1133 3.1133 3.2605 3.2605 3.6586 3.6586 4.2138 4.2138 4.4525 4.4525 4.7356 4.7356 4.8785 4.8785 5.2745 5.2745 6.7994 6.7994 6.8668 6.8668 6.9632 6.9632 7.0249 7.0249 7.0709 7.0709 7.2844 7.2844 7.8530 7.8530 8.1299 8.1299 8.4108 8.4108 8.6457 8.6457 11.8576 11.8576 12.0223 12.0223 13.6569 13.6569 16.6439 16.6439 k = 0.1972-0.1729-0.3993 ( 3331 PWs) bands (ev): -16.0251 -16.0251 -15.6950 -15.6950 -12.8662 -12.8662 -12.8588 -12.8588 -12.8366 -12.8366 -12.6764 -12.6764 -2.0527 -2.0527 -2.0130 -2.0130 -0.9843 -0.9843 -0.5102 -0.5102 -0.4941 -0.4941 -0.3063 -0.3063 -0.0525 -0.0525 0.8821 0.8821 2.6791 2.6791 2.9775 2.9775 3.0728 3.0728 3.2573 3.2573 3.6510 3.6510 4.2030 4.2030 4.4823 4.4823 4.7100 4.7100 4.8844 4.8844 5.2834 5.2834 6.7971 6.7971 6.8643 6.8643 6.9608 6.9608 7.0269 7.0269 7.0712 7.0712 7.2858 7.2858 7.8527 7.8527 8.1496 8.1496 8.3882 8.3882 8.6406 8.6406 11.8685 11.8685 12.0438 12.0438 13.7483 13.7483 16.5733 16.5733 k = 0.2045-0.1793-0.4141 ( 3323 PWs) bands (ev): -16.0114 -16.0114 -15.6995 -15.6995 -12.8717 -12.8717 -12.8709 -12.8709 -12.8353 -12.8353 -12.6812 -12.6812 -2.0284 -2.0284 -1.9865 -1.9865 -0.9871 -0.9871 -0.4960 -0.4960 -0.4687 -0.4687 -0.3034 -0.3034 -0.0401 -0.0401 0.8601 0.8601 2.6288 2.6288 2.9734 2.9734 3.0321 3.0321 3.2530 3.2530 3.6448 3.6448 4.1889 4.1889 4.5111 4.5111 4.6860 4.6860 4.8916 4.8916 5.2929 5.2929 6.7952 6.7952 6.8616 6.8616 6.9580 6.9580 7.0272 7.0272 7.0734 7.0734 7.2877 7.2877 7.8528 7.8528 8.1695 8.1695 8.3657 8.3657 8.6354 8.6354 11.8800 11.8800 12.0639 12.0639 13.8400 13.8400 16.5044 16.5044 k = 0.2118-0.1857-0.4289 ( 3323 PWs) bands (ev): -15.9978 -15.9978 -15.7042 -15.7042 -12.8830 -12.8830 -12.8771 -12.8771 -12.8335 -12.8335 -12.6860 -12.6860 -2.0057 -2.0057 -1.9590 -1.9590 -0.9893 -0.9893 -0.4977 -0.4977 -0.4259 -0.4259 -0.3031 -0.3031 -0.0299 -0.0299 0.8389 0.8389 2.5823 2.5823 2.9696 2.9696 2.9911 2.9911 3.2479 3.2479 3.6397 3.6397 4.1718 4.1718 4.5386 4.5386 4.6637 4.6637 4.9002 4.9002 5.3026 5.3026 6.7937 6.7937 6.8587 6.8587 6.9548 6.9548 7.0256 7.0256 7.0773 7.0773 7.2902 7.2902 7.8534 7.8534 8.1894 8.1894 8.3432 8.3432 8.6299 8.6299 11.8923 11.8923 12.0826 12.0826 13.9316 13.9316 16.4375 16.4375 k = 0.2191-0.1921-0.4437 ( 3331 PWs) bands (ev): -15.9842 -15.9842 -15.7092 -15.7092 -12.8944 -12.8944 -12.8828 -12.8828 -12.8312 -12.8312 -12.6907 -12.6907 -1.9841 -1.9841 -1.9310 -1.9310 -0.9905 -0.9905 -0.4994 -0.4994 -0.3817 -0.3817 -0.3056 -0.3056 -0.0221 -0.0221 0.8185 0.8185 2.5398 2.5398 2.9500 2.9500 2.9667 2.9667 3.2420 3.2420 3.6356 3.6356 4.1523 4.1523 4.5642 4.5642 4.6432 4.6432 4.9104 4.9104 5.3121 5.3121 6.7925 6.7925 6.8557 6.8557 6.9513 6.9513 7.0224 7.0224 7.0827 7.0827 7.2932 7.2932 7.8543 7.8543 8.2092 8.2092 8.3206 8.3206 8.6242 8.6242 11.9053 11.9053 12.0995 12.0995 14.0232 14.0232 16.3728 16.3728 k = 0.2264-0.1985-0.4585 ( 3323 PWs) bands (ev): -15.9708 -15.9708 -15.7144 -15.7144 -12.9052 -12.9052 -12.8888 -12.8888 -12.8284 -12.8284 -12.6954 -12.6954 -1.9632 -1.9632 -1.9032 -1.9032 -0.9908 -0.9908 -0.5012 -0.5012 -0.3364 -0.3364 -0.3108 -0.3108 -0.0167 -0.0167 0.7989 0.7989 2.5019 2.5019 2.9090 2.9090 2.9646 2.9646 3.2355 3.2355 3.6323 3.6323 4.1309 4.1309 4.5874 4.5874 4.6245 4.6245 4.9224 4.9224 5.3211 5.3211 6.7919 6.7919 6.8525 6.8525 6.9478 6.9478 7.0183 7.0183 7.0893 7.0893 7.2967 7.2967 7.8559 7.8559 8.2288 8.2288 8.2984 8.2984 8.6181 8.6181 11.9191 11.9191 12.1148 12.1148 14.1145 14.1145 16.3105 16.3105 k = 0.2337-0.2049-0.4733 ( 3321 PWs) bands (ev): -15.9575 -15.9575 -15.7199 -15.7199 -12.9153 -12.9153 -12.8949 -12.8949 -12.8252 -12.8252 -12.7001 -12.7001 -1.9429 -1.9429 -1.8761 -1.8761 -0.9899 -0.9899 -0.5030 -0.5030 -0.3198 -0.3198 -0.2895 -0.2895 -0.0137 -0.0137 0.7801 0.7801 2.4685 2.4685 2.8681 2.8681 2.9638 2.9638 3.2285 3.2285 3.6296 3.6296 4.1079 4.1079 4.6065 4.6065 4.6090 4.6090 4.9364 4.9364 5.3290 5.3290 6.7915 6.7915 6.8492 6.8492 6.9440 6.9440 7.0137 7.0137 7.0966 7.0966 7.3005 7.3005 7.8580 7.8580 8.2476 8.2476 8.2769 8.2769 8.6116 8.6116 11.9338 11.9338 12.1281 12.1281 14.2053 14.2053 16.2507 16.2507 k = 0.2410-0.2113-0.4880 ( 3321 PWs) bands (ev): -15.9444 -15.9444 -15.7256 -15.7256 -12.9248 -12.9248 -12.9012 -12.9012 -12.8214 -12.8214 -12.7047 -12.7047 -1.9231 -1.9231 -1.8499 -1.8499 -0.9877 -0.9877 -0.5047 -0.5047 -0.3311 -0.3311 -0.2424 -0.2424 -0.0130 -0.0130 0.7620 0.7620 2.4398 2.4398 2.8274 2.8274 2.9645 2.9645 3.2211 3.2211 3.6273 3.6273 4.0837 4.0837 4.5927 4.5927 4.6255 4.6255 4.9523 4.9523 5.3356 5.3356 6.7913 6.7913 6.8456 6.8456 6.9402 6.9402 7.0089 7.0089 7.1045 7.1045 7.3045 7.3045 7.8606 7.8606 8.2508 8.2508 8.2710 8.2710 8.6046 8.6046 11.9492 11.9492 12.1397 12.1397 14.2955 14.2955 16.1935 16.1935 k = 0.2483-0.2177-0.5028 ( 3328 PWs) bands (ev): -15.9316 -15.9316 -15.7315 -15.7315 -12.9336 -12.9336 -12.9077 -12.9077 -12.8173 -12.8173 -12.7092 -12.7092 -1.9037 -1.9037 -1.8249 -1.8249 -0.9843 -0.9843 -0.5063 -0.5063 -0.3455 -0.3455 -0.1945 -0.1945 -0.0146 -0.0146 0.7445 0.7445 2.4159 2.4159 2.7872 2.7872 2.9667 2.9667 3.2135 3.2135 3.6251 3.6251 4.0586 4.0586 4.5799 4.5799 4.6400 4.6400 4.9702 4.9702 5.3406 5.3406 6.7914 6.7914 6.8418 6.8418 6.9363 6.9363 7.0043 7.0043 7.1128 7.1128 7.3087 7.3087 7.8638 7.8638 8.2304 8.2304 8.2885 8.2885 8.5971 8.5971 11.9653 11.9653 12.1493 12.1493 14.3850 14.3850 16.1392 16.1392 k = 0.2556-0.2241-0.5176 ( 3332 PWs) bands (ev): -15.9190 -15.9190 -15.7376 -15.7376 -12.9416 -12.9416 -12.9143 -12.9143 -12.8126 -12.8126 -12.7137 -12.7137 -1.8848 -1.8848 -1.8016 -1.8016 -0.9796 -0.9796 -0.5078 -0.5078 -0.3628 -0.3628 -0.1462 -0.1462 -0.0182 -0.0182 0.7276 0.7276 2.3966 2.3966 2.7474 2.7474 2.9708 2.9708 3.2057 3.2057 3.6230 3.6230 4.0330 4.0330 4.5690 4.5690 4.6516 4.6516 4.9898 4.9898 5.3436 5.3436 6.7916 6.7916 6.8378 6.8378 6.9324 6.9324 7.0001 7.0001 7.1214 7.1214 7.3128 7.3128 7.8677 7.8677 8.2090 8.2090 8.3070 8.3070 8.5890 8.5890 11.9820 11.9820 12.1572 12.1572 14.4735 14.4735 16.0879 16.0879 k = 0.2629-0.2305-0.5324 ( 3324 PWs) bands (ev): -15.9068 -15.9068 -15.7439 -15.7439 -12.9487 -12.9487 -12.9210 -12.9210 -12.8076 -12.8076 -12.7180 -12.7180 -1.8664 -1.8664 -1.7801 -1.7801 -0.9734 -0.9734 -0.5092 -0.5092 -0.3827 -0.3827 -0.0976 -0.0976 -0.0238 -0.0238 0.7112 0.7112 2.3819 2.3819 2.7083 2.7083 2.9768 2.9768 3.1979 3.1979 3.6209 3.6209 4.0071 4.0071 4.5600 4.5600 4.6607 4.6607 5.0109 5.0109 5.3444 5.3444 6.7919 6.7919 6.8337 6.8337 6.9286 6.9286 6.9965 6.9965 7.1305 7.1305 7.3169 7.3169 7.8723 7.8723 8.1876 8.1876 8.3253 8.3253 8.5803 8.5803 11.9992 11.9992 12.1632 12.1632 14.5609 14.5609 16.0396 16.0396 k = 0.2702-0.2369-0.5472 ( 3328 PWs) bands (ev): -15.8949 -15.8949 -15.7503 -15.7503 -12.9551 -12.9551 -12.9278 -12.9278 -12.8022 -12.8022 -12.7223 -12.7223 -1.8486 -1.8486 -1.7607 -1.7607 -0.9659 -0.9659 -0.5103 -0.5103 -0.4049 -0.4049 -0.0489 -0.0489 -0.0308 -0.0308 0.6953 0.6953 2.3714 2.3714 2.6699 2.6699 2.9848 2.9848 3.1900 3.1900 3.6187 3.6187 3.9810 3.9810 4.5530 4.5530 4.6674 4.6674 5.0332 5.0332 5.3427 5.3427 6.7921 6.7921 6.8294 6.8294 6.9248 6.9248 6.9937 6.9937 7.1396 7.1396 7.3207 7.3207 7.8775 7.8775 8.1666 8.1666 8.3432 8.3432 8.5709 8.5709 12.0168 12.0168 12.1676 12.1676 14.6470 14.6470 15.9946 15.9946 k = 0.2775-0.2433-0.5620 ( 3328 PWs) bands (ev): -15.8833 -15.8833 -15.7569 -15.7569 -12.9606 -12.9606 -12.9347 -12.9347 -12.7963 -12.7963 -12.7265 -12.7265 -1.8313 -1.8313 -1.7438 -1.7438 -0.9570 -0.9570 -0.5113 -0.5113 -0.4291 -0.4291 -0.0394 -0.0394 -0.0002 -0.0002 0.6797 0.6797 2.3648 2.3648 2.6323 2.6323 2.9947 2.9947 3.1823 3.1823 3.6164 3.6164 3.9551 3.9551 4.5477 4.5477 4.6721 4.6721 5.0562 5.0562 5.3384 5.3384 6.7922 6.7922 6.8249 6.8249 6.9211 6.9211 6.9917 6.9917 7.1490 7.1490 7.3241 7.3241 7.8836 7.8836 8.1459 8.1459 8.3607 8.3607 8.5609 8.5609 12.0345 12.0345 12.1704 12.1704 14.7315 14.7315 15.9528 15.9528 k = 0.2848-0.2497-0.5768 ( 3326 PWs) bands (ev): -15.8722 -15.8722 -15.7637 -15.7637 -12.9653 -12.9653 -12.9417 -12.9417 -12.7902 -12.7902 -12.7306 -12.7306 -1.8148 -1.8148 -1.7296 -1.7296 -0.9468 -0.9468 -0.5120 -0.5120 -0.4547 -0.4547 -0.0489 -0.0489 0.0482 0.0482 0.6644 0.6644 2.3618 2.3618 2.5958 2.5958 3.0066 3.0066 3.1748 3.1748 3.6139 3.6139 3.9296 3.9296 4.5441 4.5441 4.6753 4.6753 5.0797 5.0797 5.3314 5.3314 6.7921 6.7921 6.8203 6.8203 6.9176 6.9176 6.9906 6.9906 7.1584 7.1584 7.3272 7.3272 7.8903 7.8903 8.1256 8.1256 8.3778 8.3778 8.5502 8.5502 12.0523 12.0523 12.1718 12.1718 14.8143 14.8143 15.9144 15.9144 k = 0.2921-0.2561-0.5916 ( 3330 PWs) bands (ev): -15.8616 -15.8616 -15.7705 -15.7705 -12.9691 -12.9691 -12.9487 -12.9487 -12.7837 -12.7837 -12.7346 -12.7346 -1.7989 -1.7989 -1.7183 -1.7183 -0.9352 -0.9352 -0.5126 -0.5126 -0.4813 -0.4813 -0.0592 -0.0592 0.0960 0.0960 0.6494 0.6494 2.3620 2.3620 2.5603 2.5603 3.0204 3.0204 3.1675 3.1675 3.6114 3.6114 3.9045 3.9045 4.5420 4.5420 4.6773 4.6773 5.1032 5.1032 5.3217 5.3217 6.7917 6.7917 6.8157 6.8157 6.9142 6.9142 6.9904 6.9904 7.1678 7.1678 7.3299 7.3299 7.8978 7.8978 8.1058 8.1058 8.3943 8.3943 8.5389 8.5389 12.0699 12.0699 12.1719 12.1719 14.8949 14.8949 15.8793 15.8793 k = 0.2994-0.2626-0.6064 ( 3326 PWs) bands (ev): -15.8513 -15.8513 -15.7774 -15.7774 -12.9721 -12.9721 -12.9558 -12.9558 -12.7769 -12.7769 -12.7386 -12.7386 -1.7838 -1.7838 -1.7103 -1.7103 -0.9222 -0.9222 -0.5139 -0.5139 -0.5073 -0.5073 -0.0698 -0.0698 0.1432 0.1432 0.6346 0.6346 2.3649 2.3649 2.5262 2.5262 3.0359 3.0359 3.1606 3.1606 3.6089 3.6089 3.8801 3.8801 4.5414 4.5414 4.6782 4.6782 5.1265 5.1265 5.3093 5.3093 6.7908 6.7908 6.8112 6.8112 6.9110 6.9110 6.9911 6.9911 7.1772 7.1772 7.3321 7.3321 7.9061 7.9061 8.0866 8.0866 8.4102 8.4102 8.5271 8.5271 12.0870 12.0870 12.1711 12.1711 14.9728 14.9728 15.8477 15.8477 k = 0.3067-0.2690-0.6212 ( 3328 PWs) bands (ev): -15.8416 -15.8416 -15.7844 -15.7844 -12.9742 -12.9742 -12.9628 -12.9628 -12.7698 -12.7698 -12.7424 -12.7424 -1.7696 -1.7696 -1.7057 -1.7057 -0.9080 -0.9080 -0.5364 -0.5364 -0.5119 -0.5119 -0.0806 -0.0806 0.1894 0.1894 0.6199 0.6199 2.3702 2.3702 2.4934 2.4934 3.0531 3.0531 3.1541 3.1541 3.6065 3.6065 3.8564 3.8564 4.5420 4.5420 4.6784 4.6784 5.1494 5.1494 5.2943 5.2943 6.7889 6.7889 6.8072 6.8072 6.9080 6.9080 6.9925 6.9925 7.1864 7.1864 7.3339 7.3339 7.9152 7.9152 8.0680 8.0680 8.4254 8.4254 8.5149 8.5149 12.1032 12.1032 12.1698 12.1698 15.0476 15.0476 15.8195 15.8195 k = 0.3140-0.2754-0.6359 ( 3328 PWs) bands (ev): -15.8323 -15.8323 -15.7913 -15.7913 -12.9755 -12.9755 -12.9698 -12.9698 -12.7626 -12.7626 -12.7461 -12.7461 -1.7564 -1.7564 -1.7047 -1.7047 -0.8926 -0.8926 -0.5632 -0.5632 -0.5114 -0.5114 -0.0911 -0.0911 0.2345 0.2345 0.6053 0.6053 2.3773 2.3773 2.4621 2.4621 3.0718 3.0718 3.1481 3.1481 3.6043 3.6043 3.8336 3.8336 4.5437 4.5437 4.6780 4.6780 5.1713 5.1713 5.2772 5.2772 6.7858 6.7858 6.8041 6.8041 6.9052 6.9052 6.9945 6.9945 7.1954 7.1954 7.3352 7.3352 7.9248 7.9248 8.0502 8.0502 8.4395 8.4395 8.5028 8.5028 12.1175 12.1175 12.1688 12.1688 15.1182 15.1182 15.7947 15.7947 k = 0.3213-0.2818-0.6507 ( 3322 PWs) bands (ev): -15.8236 -15.8236 -15.7983 -15.7983 -12.9768 -12.9768 -12.9760 -12.9760 -12.7552 -12.7552 -12.7497 -12.7497 -1.7441 -1.7441 -1.7073 -1.7073 -0.8759 -0.8759 -0.5893 -0.5893 -0.5105 -0.5105 -0.1012 -0.1012 0.2782 0.2782 0.5908 0.5908 2.3859 2.3859 2.4326 2.4326 3.0918 3.0918 3.1427 3.1427 3.6024 3.6024 3.8118 3.8118 4.5463 4.5463 4.6773 4.6773 5.1910 5.1910 5.2592 5.2592 6.7813 6.7813 6.8020 6.8020 6.9027 6.9027 6.9970 6.9970 7.2041 7.2041 7.3362 7.3362 7.9349 7.9349 8.0336 8.0336 8.4511 8.4511 8.4923 8.4923 12.1282 12.1282 12.1699 12.1699 15.1836 15.1836 15.7732 15.7732 k = 0.3286-0.2882-0.6655 ( 3314 PWs) bands (ev): -15.8153 -15.8153 -15.8053 -15.8053 -12.9836 -12.9836 -12.9758 -12.9758 -12.7532 -12.7532 -12.7476 -12.7476 -1.7331 -1.7331 -1.7135 -1.7135 -0.8582 -0.8582 -0.6142 -0.6142 -0.5091 -0.5091 -0.1104 -0.1104 0.3202 0.3202 0.5764 0.5764 2.3955 2.3955 2.4049 2.4049 3.1126 3.1126 3.1382 3.1382 3.6009 3.6009 3.7910 3.7910 4.5496 4.5496 4.6763 4.6763 5.2030 5.2030 5.2459 5.2459 6.7756 6.7756 6.8005 6.8005 6.9002 6.9002 6.9998 6.9998 7.2124 7.2124 7.3368 7.3368 7.9448 7.9448 8.0186 8.0186 8.4552 8.4552 8.4884 8.4884 12.1331 12.1331 12.1755 12.1755 15.2421 15.2421 15.7550 15.7550 k = 0.3359-0.2946-0.6803 ( 3314 PWs) bands (ev): -15.8122 -15.8122 -15.8075 -15.8075 -12.9904 -12.9904 -12.9748 -12.9748 -12.7566 -12.7566 -12.7400 -12.7400 -1.7265 -1.7265 -1.7200 -1.7200 -0.8394 -0.8394 -0.6378 -0.6378 -0.5073 -0.5073 -0.1187 -0.1187 0.3604 0.3604 0.5620 0.5620 2.3789 2.3789 2.4060 2.4060 3.1295 3.1295 3.1393 3.1393 3.5998 3.5998 3.7714 3.7714 4.5535 4.5535 4.6751 4.6751 5.1936 5.1936 5.2510 5.2510 6.7691 6.7691 6.7995 6.7995 6.8979 6.8979 7.0027 7.0027 7.2201 7.2201 7.3373 7.3373 7.9528 7.9528 8.0070 8.0070 8.4480 8.4480 8.4950 8.4950 12.1325 12.1325 12.1851 12.1851 15.2913 15.2913 15.7400 15.7400 k = 0.3432-0.3010-0.6951 ( 3320 PWs) bands (ev): -15.8191 -15.8191 -15.8003 -15.8003 -12.9970 -12.9970 -12.9731 -12.9731 -12.7598 -12.7598 -12.7323 -12.7323 -1.7381 -1.7381 -1.7128 -1.7128 -0.8197 -0.8197 -0.6598 -0.6598 -0.5051 -0.5051 -0.1258 -0.1258 0.3983 0.3983 0.5476 0.5476 2.3551 2.3551 2.4167 2.4167 3.1285 3.1285 3.1596 3.1596 3.5994 3.5994 3.7531 3.7531 4.5578 4.5578 4.6738 4.6738 5.1703 5.1703 5.2675 5.2675 6.7621 6.7621 6.7987 6.7987 6.8955 6.8955 7.0053 7.0053 7.2272 7.2272 7.3375 7.3375 7.9549 7.9549 8.0026 8.0026 8.4356 8.4356 8.5061 8.5061 12.1287 12.1287 12.1966 12.1966 15.3288 15.3288 15.7281 15.7281 k = 0.3505-0.3074-0.7099 ( 3320 PWs) bands (ev): -15.8258 -15.8258 -15.7935 -15.7935 -13.0036 -13.0036 -12.9708 -12.9708 -12.7630 -12.7630 -12.7246 -12.7246 -1.7547 -1.7547 -1.7051 -1.7051 -0.7991 -0.7991 -0.6801 -0.6801 -0.5025 -0.5025 -0.1316 -0.1316 0.4339 0.4339 0.5332 0.5332 2.3335 2.3335 2.4276 2.4276 3.1259 3.1259 3.1829 3.1829 3.5996 3.5996 3.7359 3.7359 4.5625 4.5625 4.6726 4.6726 5.1423 5.1423 5.2860 5.2860 6.7546 6.7546 6.7980 6.7980 6.8932 6.8932 7.0076 7.0076 7.2336 7.2336 7.3378 7.3378 7.9489 7.9489 8.0080 8.0080 8.4216 8.4216 8.5183 8.5183 12.1233 12.1233 12.2083 12.2083 15.3528 15.3528 15.7190 15.7190 k = 0.3578-0.3138-0.7247 ( 3318 PWs) bands (ev): -15.8324 -15.8324 -15.7872 -15.7872 -13.0099 -13.0099 -12.9680 -12.9680 -12.7660 -12.7660 -12.7169 -12.7169 -1.7743 -1.7743 -1.6984 -1.6984 -0.7778 -0.7778 -0.6987 -0.6987 -0.4995 -0.4995 -0.1360 -0.1360 0.4669 0.4669 0.5190 0.5190 2.3142 2.3142 2.4383 2.4383 3.1239 3.1239 3.2069 3.2069 3.6004 3.6004 3.7201 3.7201 4.5674 4.5674 4.6713 4.6713 5.1120 5.1120 5.3048 5.3048 6.7468 6.7468 6.7974 6.7974 6.8910 6.8910 7.0094 7.0094 7.2393 7.2393 7.3382 7.3382 7.9381 7.9381 8.0196 8.0196 8.4071 8.4071 8.5306 8.5306 12.1172 12.1172 12.2195 12.2195 15.3631 15.3631 15.7127 15.7127 k = 0.6422-0.0872-0.5759 ( 3318 PWs) bands (ev): -15.8324 -15.8324 -15.7872 -15.7872 -13.0099 -13.0099 -12.9680 -12.9680 -12.7660 -12.7660 -12.7169 -12.7169 -1.7743 -1.7743 -1.6984 -1.6984 -0.7778 -0.7778 -0.6987 -0.6987 -0.4995 -0.4995 -0.1360 -0.1360 0.4669 0.4669 0.5190 0.5190 2.3142 2.3142 2.4383 2.4383 3.1239 3.1239 3.2069 3.2069 3.6004 3.6004 3.7201 3.7201 4.5674 4.5674 4.6713 4.6713 5.1120 5.1120 5.3048 5.3048 6.7468 6.7468 6.7974 6.7974 6.8910 6.8910 7.0094 7.0094 7.2393 7.2393 7.3382 7.3382 7.9381 7.9381 8.0196 8.0196 8.4071 8.4071 8.5306 8.5306 12.1172 12.1172 12.2194 12.2194 15.3631 15.3631 15.7127 15.7127 k = 0.6351-0.0715-0.5759 ( 3318 PWs) bands (ev): -15.8387 -15.8387 -15.7816 -15.7816 -13.0159 -13.0159 -12.9647 -12.9647 -12.7689 -12.7689 -12.7095 -12.7095 -1.7957 -1.7957 -1.6930 -1.6930 -0.7565 -0.7565 -0.7152 -0.7152 -0.4963 -0.4963 -0.1389 -0.1389 0.4959 0.4959 0.5055 0.5055 2.2975 2.2975 2.4484 2.4484 3.1226 3.1226 3.2304 3.2304 3.6019 3.6019 3.7060 3.7060 4.5722 4.5722 4.6701 4.6701 5.0808 5.0808 5.3227 5.3227 6.7390 6.7390 6.7968 6.7968 6.8887 6.8887 7.0105 7.0105 7.2441 7.2441 7.3386 7.3386 7.9262 7.9262 8.0336 8.0336 8.3930 8.3930 8.5423 8.5423 12.1109 12.1109 12.2295 12.2295 15.3620 15.3620 15.7090 15.7090 k = 0.6280-0.0558-0.5759 ( 3316 PWs) bands (ev): -15.8449 -15.8449 -15.7763 -15.7763 -13.0217 -13.0217 -12.9610 -12.9610 -12.7716 -12.7716 -12.7023 -12.7023 -1.8190 -1.8190 -1.6887 -1.6887 -0.7350 -0.7350 -0.7298 -0.7298 -0.4926 -0.4926 -0.1404 -0.1404 0.4912 0.4912 0.5232 0.5232 2.2831 2.2831 2.4580 2.4580 3.1221 3.1221 3.2540 3.2540 3.6039 3.6039 3.6930 3.6930 4.5771 4.5771 4.6689 4.6689 5.0484 5.0484 5.3403 5.3403 6.7310 6.7310 6.7963 6.7963 6.8865 6.8865 7.0107 7.0107 7.2481 7.2481 7.3393 7.3393 7.9140 7.9140 8.0491 8.0491 8.3792 8.3792 8.5537 8.5537 12.1046 12.1046 12.2386 12.2386 15.3525 15.3525 15.7075 15.7075 k = 0.6209-0.0402-0.5759 ( 3316 PWs) bands (ev): -15.8508 -15.8508 -15.7716 -15.7716 -13.0274 -13.0274 -12.9570 -12.9570 -12.7742 -12.7742 -12.6952 -12.6952 -1.8439 -1.8439 -1.6855 -1.6855 -0.7437 -0.7437 -0.7125 -0.7125 -0.4887 -0.4887 -0.1406 -0.1406 0.4777 0.4777 0.5469 0.5469 2.2709 2.2709 2.4670 2.4670 3.1224 3.1224 3.2775 3.2775 3.6066 3.6066 3.6814 3.6814 4.5819 4.5819 4.6678 4.6678 5.0152 5.0152 5.3574 5.3574 6.7230 6.7230 6.7957 6.7957 6.8841 6.8841 7.0101 7.0101 7.2512 7.2512 7.3401 7.3401 7.9021 7.9021 8.0655 8.0655 8.3657 8.3657 8.5647 8.5647 12.0983 12.0983 12.2466 12.2466 15.3373 15.3373 15.7080 15.7080 k = 0.6137-0.0245-0.5759 ( 3320 PWs) bands (ev): -15.8565 -15.8565 -15.7672 -15.7672 -13.0327 -13.0327 -12.9526 -12.9526 -12.7766 -12.7766 -12.6883 -12.6883 -1.8697 -1.8697 -1.6833 -1.6833 -0.7557 -0.7557 -0.6901 -0.6901 -0.4844 -0.4844 -0.1397 -0.1397 0.4644 0.4644 0.5676 0.5676 2.2609 2.2609 2.4753 2.4753 3.1236 3.1236 3.3007 3.3007 3.6097 3.6097 3.6709 3.6709 4.5866 4.5866 4.6668 4.6668 4.9814 4.9814 5.3739 5.3739 6.7148 6.7148 6.7951 6.7951 6.8816 6.8816 7.0086 7.0086 7.2535 7.2535 7.3411 7.3411 7.8906 7.8906 8.0823 8.0823 8.3528 8.3528 8.5753 8.5753 12.0922 12.0922 12.2536 12.2536 15.3186 15.3186 15.7103 15.7103 k = 0.6066-0.0088-0.5759 ( 3320 PWs) bands (ev): -15.8620 -15.8620 -15.7632 -15.7632 -13.0379 -13.0379 -12.9481 -12.9481 -12.7789 -12.7789 -12.6817 -12.6817 -1.8961 -1.8961 -1.6820 -1.6820 -0.7665 -0.7665 -0.6678 -0.6678 -0.4799 -0.4799 -0.1377 -0.1377 0.4514 0.4514 0.5853 0.5853 2.2530 2.2530 2.4829 2.4829 3.1255 3.1255 3.3234 3.3234 3.6133 3.6133 3.6616 3.6616 4.5913 4.5913 4.6658 4.6658 4.9473 4.9473 5.3900 5.3900 6.7067 6.7067 6.7946 6.7946 6.8790 6.8790 7.0063 7.0063 7.2550 7.2550 7.3422 7.3422 7.8797 7.8797 8.0995 8.0995 8.3408 8.3408 8.5854 8.5854 12.0864 12.0864 12.2595 12.2595 15.2977 15.2977 15.7140 15.7140 k = 0.5995 0.0069-0.5759 ( 3318 PWs) bands (ev): -15.8672 -15.8672 -15.7596 -15.7596 -13.0428 -13.0428 -12.9434 -12.9434 -12.7811 -12.7811 -12.6753 -12.6753 -1.9227 -1.9227 -1.6816 -1.6816 -0.7761 -0.7761 -0.6455 -0.6455 -0.4752 -0.4752 -0.1347 -0.1347 0.4387 0.4387 0.6001 0.6001 2.2470 2.2470 2.4897 2.4897 3.1284 3.1284 3.3456 3.3456 3.6171 3.6171 3.6535 3.6535 4.5957 4.5957 4.6648 4.6648 4.9132 4.9132 5.4054 5.4054 6.6987 6.6987 6.7940 6.7940 6.8763 6.8763 7.0032 7.0032 7.2557 7.2557 7.3433 7.3433 7.8694 7.8694 8.1168 8.1168 8.3295 8.3295 8.5950 8.5950 12.0809 12.0809 12.2644 12.2644 15.2758 15.2758 15.7191 15.7191 k = 0.5924 0.0226-0.5759 ( 3310 PWs) bands (ev): -15.8722 -15.8722 -15.7563 -15.7563 -13.0474 -13.0474 -12.9386 -12.9386 -12.7832 -12.7832 -12.6692 -12.6692 -1.9491 -1.9491 -1.6820 -1.6820 -0.7846 -0.7846 -0.6235 -0.6235 -0.4703 -0.4703 -0.1311 -0.1311 0.4265 0.4265 0.6121 0.6121 2.2428 2.2428 2.4958 2.4958 3.1320 3.1320 3.3670 3.3670 3.6211 3.6211 3.6465 3.6465 4.6000 4.6000 4.6639 4.6639 4.8794 4.8794 5.4204 5.4204 6.6908 6.6908 6.7935 6.7935 6.8735 6.8735 6.9997 6.9997 7.2558 7.2558 7.3445 7.3445 7.8598 7.8598 8.1340 8.1340 8.3192 8.3192 8.6042 8.6042 12.0759 12.0759 12.2682 12.2682 15.2535 15.2535 15.7252 15.7252 k = 0.5853 0.0383-0.5759 ( 3314 PWs) bands (ev): -15.8768 -15.8768 -15.7534 -15.7534 -13.0517 -13.0517 -12.9339 -12.9339 -12.7851 -12.7851 -12.6634 -12.6634 -1.9749 -1.9749 -1.6831 -1.6831 -0.7921 -0.7921 -0.6020 -0.6020 -0.4654 -0.4654 -0.1268 -0.1268 0.4147 0.4147 0.6214 0.6214 2.2402 2.2402 2.5011 2.5011 3.1363 3.1363 3.3877 3.3877 3.6249 3.6249 3.6406 3.6406 4.6041 4.6041 4.6629 4.6629 4.8463 4.8463 5.4347 5.4347 6.6831 6.6831 6.7929 6.7929 6.8706 6.8706 6.9955 6.9955 7.2551 7.2551 7.3456 7.3456 7.8507 7.8507 8.1508 8.1508 8.3099 8.3099 8.6127 8.6127 12.0714 12.0714 12.2711 12.2711 15.2314 15.2314 15.7321 15.7321 k = 0.5782 0.0540-0.5759 ( 3306 PWs) bands (ev): -15.8812 -15.8812 -15.7508 -15.7508 -13.0558 -13.0558 -12.9292 -12.9292 -12.7869 -12.7869 -12.6580 -12.6580 -1.9997 -1.9997 -1.6847 -1.6847 -0.7986 -0.7986 -0.5811 -0.5811 -0.4604 -0.4604 -0.1221 -0.1221 0.4037 0.4037 0.6281 0.6281 2.2391 2.2391 2.5057 2.5057 3.1413 3.1413 3.4074 3.4074 3.6283 3.6283 3.6361 3.6361 4.6080 4.6080 4.6620 4.6620 4.8141 4.8141 5.4483 5.4483 6.6757 6.6757 6.7923 6.7923 6.8677 6.8677 6.9910 6.9910 7.2538 7.2538 7.3467 7.3467 7.8424 7.8424 8.1672 8.1672 8.3018 8.3018 8.6207 8.6207 12.0674 12.0674 12.2732 12.2732 15.2100 15.2100 15.7395 15.7395 k = 0.5711 0.0697-0.5759 ( 3302 PWs) bands (ev): -15.8852 -15.8852 -15.7485 -15.7485 -13.0595 -13.0595 -12.9246 -12.9246 -12.7885 -12.7885 -12.6530 -12.6530 -2.0233 -2.0233 -1.6867 -1.6867 -0.8042 -0.8042 -0.5611 -0.5611 -0.4554 -0.4554 -0.1172 -0.1172 0.3933 0.3933 0.6327 0.6327 2.2390 2.2390 2.5097 2.5097 3.1468 3.1468 3.4260 3.4260 3.6289 3.6289 3.6351 3.6351 4.6116 4.6116 4.6611 4.6611 4.7831 4.7831 5.4612 5.4612 6.6687 6.6687 6.7916 6.7916 6.8647 6.8647 6.9865 6.9865 7.2521 7.2521 7.3477 7.3477 7.8348 7.8348 8.1828 8.1828 8.2947 8.2947 8.6281 8.6281 12.0638 12.0638 12.2746 12.2746 15.1895 15.1895 15.7473 15.7473 k = 0.5640 0.0854-0.5759 ( 3300 PWs) bands (ev): -15.8889 -15.8889 -15.7465 -15.7465 -13.0629 -13.0629 -12.9203 -12.9203 -12.7900 -12.7900 -12.6484 -12.6484 -2.0454 -2.0454 -1.6890 -1.6890 -0.8091 -0.8091 -0.5422 -0.5422 -0.4506 -0.4506 -0.1123 -0.1123 0.3837 0.3837 0.6353 0.6353 2.2398 2.2398 2.5131 2.5131 3.1528 3.1528 3.4435 3.4435 3.6264 3.6264 3.6375 3.6375 4.6150 4.6150 4.6601 4.6601 4.7537 4.7537 5.4733 5.4733 6.6620 6.6620 6.7909 6.7909 6.8617 6.8617 6.9819 6.9819 7.2499 7.2499 7.3485 7.3485 7.8279 7.8279 8.1974 8.1974 8.2887 8.2887 8.6349 8.6349 12.0608 12.0608 12.2753 12.2753 15.1702 15.1702 15.7551 15.7551 k = 0.5569 0.1010-0.5759 ( 3292 PWs) bands (ev): -15.8923 -15.8923 -15.7447 -15.7447 -13.0659 -13.0659 -12.9162 -12.9162 -12.7913 -12.7913 -12.6443 -12.6443 -2.0658 -2.0658 -1.6915 -1.6915 -0.8132 -0.8132 -0.5245 -0.5245 -0.4460 -0.4460 -0.1074 -0.1074 0.3749 0.3749 0.6363 0.6363 2.2413 2.2413 2.5159 2.5159 3.1589 3.1589 3.4598 3.4598 3.6240 3.6240 3.6404 3.6404 4.6182 4.6182 4.6590 4.6590 4.7265 4.7265 5.4845 5.4845 6.6559 6.6559 6.7902 6.7902 6.8587 6.8587 6.9776 6.9776 7.2474 7.2474 7.3493 7.3493 7.8217 7.8217 8.2110 8.2110 8.2838 8.2838 8.6410 8.6410 12.0582 12.0582 12.2754 12.2754 15.1525 15.1525 15.7627 15.7627 k = 0.5498 0.1167-0.5759 ( 3292 PWs) bands (ev): -15.8952 -15.8952 -15.7432 -15.7432 -13.0687 -13.0687 -12.9124 -12.9124 -12.7925 -12.7925 -12.6405 -12.6405 -2.0843 -2.0843 -1.6941 -1.6941 -0.8166 -0.8166 -0.5083 -0.5083 -0.4417 -0.4417 -0.1028 -0.1028 0.3671 0.3671 0.6360 0.6360 2.2432 2.2432 2.5182 2.5182 3.1651 3.1651 3.4747 3.4747 3.6219 3.6219 3.6428 3.6428 4.6210 4.6210 4.6575 4.6575 4.7018 4.7018 5.4947 5.4947 6.6502 6.6502 6.7894 6.7894 6.8559 6.8559 6.9735 6.9735 7.2447 7.2447 7.3500 7.3500 7.8163 7.8163 8.2230 8.2230 8.2800 8.2800 8.6464 8.6464 12.0560 12.0560 12.2752 12.2752 15.1363 15.1363 15.7700 15.7700 k = 0.5427 0.1324-0.5759 ( 3292 PWs) bands (ev): -15.8979 -15.8979 -15.7419 -15.7419 -13.0710 -13.0710 -12.9091 -12.9091 -12.7935 -12.7935 -12.6373 -12.6373 -2.1006 -2.1006 -1.6966 -1.6966 -0.8195 -0.8195 -0.4937 -0.4937 -0.4379 -0.4379 -0.0985 -0.0985 0.3603 0.3603 0.6349 0.6349 2.2453 2.2453 2.5201 2.5201 3.1710 3.1710 3.4880 3.4880 3.6204 3.6204 3.6448 3.6448 4.6235 4.6235 4.6546 4.6546 4.6811 4.6811 5.5039 5.5039 6.6452 6.6452 6.7886 6.7886 6.8533 6.8533 6.9698 6.9698 7.2420 7.2420 7.3505 7.3505 7.8114 7.8114 8.2333 8.2333 8.2774 8.2774 8.6512 8.6512 12.0543 12.0543 12.2747 12.2747 15.1220 15.1220 15.7767 15.7767 k = 0.5355 0.1481-0.5759 ( 3290 PWs) bands (ev): -15.9001 -15.9001 -15.7409 -15.7409 -13.0731 -13.0731 -12.9061 -12.9061 -12.7944 -12.7944 -12.6345 -12.6345 -2.1147 -2.1147 -1.6988 -1.6988 -0.8218 -0.8218 -0.4810 -0.4810 -0.4344 -0.4344 -0.0947 -0.0947 0.3545 0.3545 0.6332 0.6332 2.2474 2.2474 2.5216 2.5216 3.1766 3.1766 3.4997 3.4997 3.6192 3.6192 3.6464 3.6464 4.6256 4.6256 4.6474 4.6474 4.6677 4.6677 5.5118 5.5118 6.6409 6.6409 6.7878 6.7878 6.8509 6.8509 6.9666 6.9666 7.2395 7.2395 7.3510 7.3510 7.8074 7.8074 8.2416 8.2416 8.2760 8.2760 8.6553 8.6553 12.0529 12.0529 12.2740 12.2740 15.1096 15.1096 15.7827 15.7827 k = 0.5284 0.1638-0.5759 ( 3294 PWs) bands (ev): -15.9019 -15.9019 -15.7400 -15.7400 -13.0747 -13.0747 -12.9037 -12.9037 -12.7951 -12.7951 -12.6322 -12.6322 -2.1264 -2.1264 -1.7008 -1.7008 -0.8236 -0.8236 -0.4703 -0.4703 -0.4316 -0.4316 -0.0914 -0.0914 0.3497 0.3497 0.6313 0.6313 2.2493 2.2493 2.5227 2.5227 3.1815 3.1815 3.5096 3.5096 3.6184 3.6184 3.6475 3.6475 4.6273 4.6273 4.6352 4.6352 4.6626 4.6626 5.5185 5.5185 6.6372 6.6372 6.7870 6.7870 6.8489 6.8489 6.9639 6.9639 7.2371 7.2371 7.3513 7.3513 7.8041 7.8041 8.2477 8.2477 8.2760 8.2760 8.6586 8.6586 12.0519 12.0519 12.2733 12.2733 15.0994 15.0994 15.7878 15.7878 k = 0.5213 0.1795-0.5759 ( 3296 PWs) bands (ev): -15.9033 -15.9033 -15.7394 -15.7394 -13.0760 -13.0760 -12.9017 -12.9017 -12.7957 -12.7957 -12.6304 -12.6304 -2.1356 -2.1356 -1.7025 -1.7025 -0.8250 -0.8250 -0.4617 -0.4617 -0.4293 -0.4293 -0.0888 -0.0888 0.3460 0.3460 0.6294 0.6294 2.2509 2.2509 2.5236 2.5236 3.1856 3.1856 3.5176 3.5176 3.6179 3.6179 3.6481 3.6481 4.6227 4.6227 4.6292 4.6292 4.6608 4.6608 5.5238 5.5238 6.6343 6.6343 6.7863 6.7863 6.8472 6.8472 6.9618 6.9618 7.2352 7.2352 7.3516 7.3516 7.8015 7.8015 8.2514 8.2514 8.2771 8.2771 8.6612 8.6612 12.0511 12.0511 12.2726 12.2726 15.0913 15.0913 15.7919 15.7919 k = 0.5142 0.1952-0.5759 ( 3290 PWs) bands (ev): -15.9043 -15.9043 -15.7389 -15.7389 -13.0770 -13.0770 -12.9003 -12.9003 -12.7961 -12.7961 -12.6292 -12.6292 -2.1422 -2.1422 -1.7037 -1.7037 -0.8260 -0.8260 -0.4554 -0.4554 -0.4278 -0.4278 -0.0869 -0.0869 0.3434 0.3434 0.6279 0.6279 2.2522 2.2522 2.5241 2.5241 3.1887 3.1887 3.5234 3.5234 3.6176 3.6176 3.6485 3.6485 4.6136 4.6136 4.6301 4.6301 4.6600 4.6600 5.5276 5.5276 6.6322 6.6322 6.7859 6.7859 6.8461 6.8461 6.9603 6.9603 7.2337 7.2337 7.3518 7.3518 7.7996 7.7996 8.2534 8.2534 8.2787 8.2787 8.6631 8.6631 12.0506 12.0506 12.2721 12.2721 15.0855 15.0855 15.7949 15.7949 k = 0.5071 0.2109-0.5759 ( 3290 PWs) bands (ev): -15.9050 -15.9050 -15.7386 -15.7386 -13.0775 -13.0775 -12.8994 -12.8994 -12.7963 -12.7963 -12.6284 -12.6284 -2.1462 -2.1462 -1.7045 -1.7045 -0.8265 -0.8265 -0.4516 -0.4516 -0.4268 -0.4268 -0.0857 -0.0857 0.3418 0.3418 0.6269 0.6269 2.2530 2.2530 2.5245 2.5245 3.1905 3.1905 3.5270 3.5270 3.6174 3.6174 3.6487 3.6487 4.6080 4.6080 4.6307 4.6307 4.6595 4.6595 5.5299 5.5299 6.6310 6.6310 6.7855 6.7855 6.8453 6.8453 6.9594 6.9594 7.2328 7.2328 7.3519 7.3519 7.7985 7.7985 8.2543 8.2543 8.2800 8.2800 8.6643 8.6643 12.0503 12.0503 12.2718 12.2718 15.0819 15.0819 15.7967 15.7967 k = 0.5000 0.2266-0.5759 ( 3292 PWs) bands (ev): -15.9052 -15.9052 -15.7385 -15.7385 -13.0777 -13.0777 -12.8991 -12.8991 -12.7964 -12.7964 -12.6281 -12.6281 -2.1475 -2.1475 -1.7047 -1.7047 -0.8267 -0.8267 -0.4503 -0.4503 -0.4265 -0.4265 -0.0854 -0.0854 0.3413 0.3413 0.6265 0.6265 2.2532 2.2532 2.5246 2.5246 3.1912 3.1912 3.5282 3.5282 3.6174 3.6174 3.6488 3.6488 4.6060 4.6060 4.6309 4.6309 4.6594 4.6594 5.5307 5.5307 6.6306 6.6306 6.7854 6.7854 6.8451 6.8451 6.9591 6.9591 7.2325 7.2325 7.3519 7.3519 7.7982 7.7982 8.2545 8.2545 8.2804 8.2804 8.6646 8.6646 12.0502 12.0502 12.2716 12.2716 15.0808 15.0808 15.7973 15.7973 k = 0.5000 0.2266-0.5759 ( 3292 PWs) bands (ev): -15.9052 -15.9052 -15.7385 -15.7385 -13.0777 -13.0777 -12.8991 -12.8991 -12.7964 -12.7964 -12.6281 -12.6281 -2.1475 -2.1475 -1.7047 -1.7047 -0.8267 -0.8267 -0.4503 -0.4503 -0.4265 -0.4265 -0.0854 -0.0854 0.3413 0.3413 0.6265 0.6265 2.2532 2.2532 2.5246 2.5246 3.1912 3.1912 3.5282 3.5282 3.6174 3.6174 3.6488 3.6488 4.6060 4.6060 4.6309 4.6309 4.6594 4.6594 5.5307 5.5307 6.6306 6.6306 6.7854 6.7854 6.8451 6.8451 6.9591 6.9591 7.2325 7.2325 7.3519 7.3519 7.7982 7.7982 8.2545 8.2545 8.2804 8.2804 8.6646 8.6646 12.0502 12.0502 12.2716 12.2716 15.0808 15.0808 15.7973 15.7973 k = 0.5109 0.2315-0.5644 ( 3292 PWs) bands (ev): -15.9050 -15.9050 -15.7388 -15.7388 -13.0776 -13.0776 -12.8990 -12.8990 -12.7964 -12.7964 -12.6283 -12.6283 -2.1477 -2.1477 -1.7055 -1.7055 -0.8264 -0.8264 -0.4500 -0.4500 -0.4255 -0.4255 -0.0864 -0.0864 0.3411 0.3411 0.6261 0.6261 2.2541 2.2541 2.5246 2.5246 3.1915 3.1915 3.5278 3.5278 3.6112 3.6112 3.6561 3.6561 4.5896 4.5896 4.6411 4.6411 4.6650 4.6650 5.5293 5.5293 6.6310 6.6310 6.7858 6.7858 6.8454 6.8454 6.9593 6.9593 7.2325 7.2325 7.3521 7.3521 7.7987 7.7987 8.2546 8.2546 8.2805 8.2805 8.6641 8.6641 12.0497 12.0497 12.2704 12.2704 15.0827 15.0827 15.7977 15.7977 k = 0.5219 0.2365-0.5530 ( 3293 PWs) bands (ev): -15.9044 -15.9044 -15.7398 -15.7398 -13.0770 -13.0770 -12.8985 -12.8985 -12.7964 -12.7964 -12.6286 -12.6286 -2.1484 -2.1484 -1.7077 -1.7077 -0.8253 -0.8253 -0.4491 -0.4491 -0.4225 -0.4225 -0.0897 -0.0897 0.3407 0.3407 0.6249 0.6249 2.2566 2.2566 2.5247 2.5247 3.1926 3.1926 3.5265 3.5265 3.5997 3.5997 3.6711 3.6711 4.5636 4.5636 4.6463 4.6463 4.6838 4.6838 5.5251 5.5251 6.6324 6.6324 6.7870 6.7870 6.8463 6.8463 6.9598 6.9598 7.2327 7.2327 7.3527 7.3527 7.8002 7.8002 8.2549 8.2549 8.2805 8.2805 8.6626 8.6626 12.0480 12.0480 12.2668 12.2668 15.0884 15.0884 15.7988 15.7988 k = 0.5328 0.2414-0.5416 ( 3296 PWs) bands (ev): -15.9035 -15.9035 -15.7413 -15.7413 -13.0762 -13.0762 -12.8976 -12.8976 -12.7963 -12.7963 -12.6293 -12.6293 -2.1495 -2.1495 -1.7113 -1.7113 -0.8235 -0.8235 -0.4476 -0.4476 -0.4176 -0.4176 -0.0950 -0.0950 0.3400 0.3400 0.6228 0.6228 2.2608 2.2608 2.5249 2.5249 3.1944 3.1944 3.5244 3.5244 3.5878 3.5878 3.6887 3.6887 4.5364 4.5364 4.6466 4.6466 4.7075 4.7075 5.5182 5.5182 6.6347 6.6347 6.7889 6.7889 6.8479 6.8479 6.9607 6.9607 7.2328 7.2328 7.3537 7.3537 7.8028 7.8028 8.2553 8.2553 8.2807 8.2807 8.6601 8.6601 12.0452 12.0452 12.2608 12.2608 15.0979 15.0979 15.8007 15.8007 k = 0.5437 0.2464-0.5301 ( 3301 PWs) bands (ev): -15.9023 -15.9023 -15.7435 -15.7435 -13.0750 -13.0750 -12.8964 -12.8964 -12.7962 -12.7962 -12.6301 -12.6301 -2.1510 -2.1510 -1.7164 -1.7164 -0.8210 -0.8210 -0.4456 -0.4456 -0.4107 -0.4107 -0.1023 -0.1023 0.3390 0.3390 0.6198 0.6198 2.2666 2.2666 2.5252 2.5252 3.1969 3.1969 3.5214 3.5214 3.5766 3.5766 3.7079 3.7079 4.5091 4.5091 4.6454 4.6454 4.7317 4.7317 5.5086 5.5086 6.6379 6.6379 6.7916 6.7916 6.8501 6.8501 6.9620 6.9620 7.2330 7.2330 7.3549 7.3549 7.8065 7.8065 8.2558 8.2558 8.2809 8.2809 8.6566 8.6566 12.0414 12.0414 12.2525 12.2525 15.1112 15.1112 15.8034 15.8034 k = 0.5547 0.2513-0.5187 ( 3305 PWs) bands (ev): -15.9007 -15.9007 -15.7462 -15.7462 -13.0735 -13.0735 -12.8949 -12.8949 -12.7961 -12.7961 -12.6312 -12.6312 -2.1529 -2.1529 -1.7228 -1.7228 -0.8178 -0.8178 -0.4432 -0.4432 -0.4021 -0.4021 -0.1115 -0.1115 0.3379 0.3379 0.6158 0.6158 2.2740 2.2740 2.5256 2.5256 3.2000 3.2000 3.5175 3.5175 3.5666 3.5666 3.7283 3.7283 4.4823 4.4823 4.6434 4.6434 4.7553 4.7553 5.4966 5.4966 6.6418 6.6418 6.7949 6.7949 6.8529 6.8529 6.9636 6.9636 7.2332 7.2332 7.3563 7.3563 7.8113 7.8113 8.2564 8.2564 8.2813 8.2813 8.6522 8.6522 12.0365 12.0365 12.2420 12.2420 15.1281 15.1281 15.8071 15.8071 k = 0.5656 0.2563-0.5072 ( 3311 PWs) bands (ev): -15.8987 -15.8987 -15.7495 -15.7495 -13.0717 -13.0717 -12.8930 -12.8930 -12.7960 -12.7960 -12.6326 -12.6326 -2.1551 -2.1551 -1.7305 -1.7305 -0.8139 -0.8139 -0.4405 -0.4405 -0.3919 -0.3919 -0.1224 -0.1224 0.3367 0.3367 0.6109 0.6109 2.2829 2.2829 2.5262 2.5262 3.2036 3.2036 3.5126 3.5126 3.5578 3.5578 3.7498 3.7498 4.4562 4.4562 4.6406 4.6406 4.7779 4.7779 5.4823 5.4823 6.6465 6.6465 6.7987 6.7987 6.8562 6.8562 6.9657 6.9657 7.2334 7.2334 7.3578 7.3578 7.8173 7.8173 8.2570 8.2570 8.2820 8.2820 8.6467 8.6467 12.0305 12.0305 12.2294 12.2294 15.1486 15.1486 15.8059 15.8059 k = 0.5766 0.2612-0.4958 ( 3306 PWs) bands (ev): -15.8964 -15.8964 -15.7535 -15.7535 -13.0695 -13.0695 -12.8908 -12.8908 -12.7958 -12.7958 -12.6342 -12.6342 -2.1577 -2.1577 -1.7394 -1.7394 -0.8092 -0.8092 -0.4375 -0.4375 -0.3802 -0.3802 -0.1349 -0.1349 0.3354 0.3354 0.6048 0.6048 2.2933 2.2933 2.5269 2.5269 3.2079 3.2079 3.5067 3.5067 3.5504 3.5504 3.7722 3.7722 4.4313 4.4313 4.6370 4.6370 4.7994 4.7994 5.4659 5.4659 6.6518 6.6518 6.8031 6.8031 6.8601 6.8601 6.9681 6.9681 7.2336 7.2336 7.3592 7.3592 7.8247 7.8247 8.2575 8.2575 8.2831 8.2831 8.6402 8.6402 12.0236 12.0236 12.2149 12.2149 15.1725 15.1725 15.7827 15.7827 k = 0.5875 0.2662-0.4843 ( 3304 PWs) bands (ev): -15.8937 -15.8937 -15.7580 -15.7580 -13.0670 -13.0670 -12.8883 -12.8883 -12.7956 -12.7956 -12.6361 -12.6361 -2.1606 -2.1606 -1.7494 -1.7494 -0.8038 -0.8038 -0.4345 -0.4345 -0.3672 -0.3672 -0.1488 -0.1488 0.3342 0.3342 0.5976 0.5976 2.3050 2.3050 2.5279 2.5279 3.2126 3.2126 3.4997 3.4997 3.5445 3.5445 3.7954 3.7954 4.4077 4.4077 4.6327 4.6327 4.8197 4.8197 5.4477 5.4477 6.6578 6.6578 6.8079 6.8079 6.8646 6.8646 6.9709 6.9709 7.2336 7.2336 7.3604 7.3604 7.8335 7.8335 8.2578 8.2578 8.2847 8.2847 8.6327 8.6327 12.0158 12.0158 12.1987 12.1987 15.1997 15.1997 15.7553 15.7553 k = 0.5984 0.2712-0.4729 ( 3306 PWs) bands (ev): -15.8907 -15.8907 -15.7630 -15.7630 -13.0643 -13.0643 -12.8855 -12.8855 -12.7953 -12.7953 -12.6381 -12.6381 -2.1638 -2.1638 -1.7605 -1.7605 -0.7978 -0.7978 -0.4315 -0.4315 -0.3532 -0.3532 -0.1637 -0.1637 0.3332 0.3332 0.5891 0.5891 2.3180 2.3180 2.5291 2.5291 3.2177 3.2177 3.4917 3.4917 3.5402 3.5402 3.8194 3.8194 4.3857 4.3857 4.6273 4.6273 4.8388 4.8388 5.4278 5.4278 6.6642 6.6642 6.8129 6.8129 6.8696 6.8696 6.9741 6.9741 7.2334 7.2334 7.3611 7.3611 7.8436 7.8436 8.2579 8.2579 8.2869 8.2869 8.6243 8.6243 12.0071 12.0071 12.1810 12.1810 15.2301 15.2301 15.7236 15.7236 k = 0.6094 0.2761-0.4614 ( 3306 PWs) bands (ev): -15.8874 -15.8874 -15.7686 -15.7686 -13.0612 -13.0612 -12.8823 -12.8823 -12.7950 -12.7950 -12.6404 -12.6404 -2.1672 -2.1672 -1.7725 -1.7725 -0.7910 -0.7910 -0.4289 -0.4289 -0.3383 -0.3383 -0.1795 -0.1795 0.3326 0.3326 0.5793 0.5793 2.3321 2.3321 2.5306 2.5306 3.2230 3.2230 3.4825 3.4825 3.5375 3.5375 3.8442 3.8442 4.3656 4.3656 4.6210 4.6210 4.8568 4.8568 5.4066 5.4066 6.6711 6.6711 6.8182 6.8182 6.8751 6.8751 6.9777 6.9777 7.2330 7.2330 7.3612 7.3612 7.8551 7.8551 8.2578 8.2578 8.2898 8.2898 8.6148 8.6148 11.9975 11.9975 12.1619 12.1619 15.2635 15.2635 15.6876 15.6876 k = 0.6203 0.2811-0.4500 ( 3305 PWs) bands (ev): -15.8838 -15.8838 -15.7748 -15.7748 -13.0578 -13.0578 -12.8789 -12.8789 -12.7947 -12.7947 -12.6430 -12.6430 -2.1707 -2.1707 -1.7853 -1.7853 -0.7836 -0.7836 -0.4269 -0.4269 -0.3229 -0.3229 -0.1958 -0.1958 0.3325 0.3325 0.5681 0.5681 2.3474 2.3474 2.5325 2.5325 3.2285 3.2285 3.4723 3.4723 3.5366 3.5366 3.8697 3.8697 4.3476 4.3476 4.6136 4.6136 4.8738 4.8738 5.3842 5.3842 6.6783 6.6783 6.8235 6.8235 6.8810 6.8810 6.9817 6.9817 7.2324 7.2324 7.3607 7.3607 7.8679 7.8679 8.2574 8.2574 8.2933 8.2933 8.6043 8.6043 11.9872 11.9872 12.1417 12.1417 15.2997 15.2997 15.6472 15.6472 k = 0.6312 0.2860-0.4386 ( 3307 PWs) bands (ev): -15.8798 -15.8798 -15.7814 -15.7814 -13.0541 -13.0541 -12.8751 -12.8751 -12.7943 -12.7943 -12.6457 -12.6457 -2.1744 -2.1744 -1.7989 -1.7989 -0.7755 -0.7755 -0.4257 -0.4257 -0.3072 -0.3072 -0.2122 -0.2122 0.3331 0.3331 0.5555 0.5555 2.3636 2.3636 2.5348 2.5348 3.2341 3.2341 3.4610 3.4610 3.5375 3.5375 3.8958 3.8958 4.3316 4.3316 4.6050 4.6050 4.8897 4.8897 5.3608 5.3608 6.6858 6.6858 6.8288 6.8288 6.8874 6.8874 6.9861 6.9861 7.2316 7.2316 7.3594 7.3594 7.8821 7.8821 8.2569 8.2569 8.2975 8.2975 8.5928 8.5928 11.9762 11.9762 12.1205 12.1205 15.3385 15.3385 15.6024 15.6024 k = 0.6422 0.2910-0.4271 ( 3311 PWs) bands (ev): -15.8756 -15.8756 -15.7885 -15.7885 -13.0502 -13.0502 -12.8711 -12.8711 -12.7938 -12.7938 -12.6487 -12.6487 -2.1783 -2.1783 -1.8131 -1.8131 -0.7668 -0.7668 -0.4258 -0.4258 -0.2917 -0.2917 -0.2284 -0.2284 0.3348 0.3348 0.5414 0.5414 2.3807 2.3807 2.5375 2.5375 3.2397 3.2397 3.4489 3.4489 3.5403 3.5403 3.9225 3.9225 4.3177 4.3177 4.5951 4.5951 4.9047 4.9047 5.3366 5.3366 6.6936 6.6936 6.8341 6.8341 6.8940 6.8940 6.9909 6.9909 7.2304 7.2304 7.3572 7.3572 7.8974 7.8974 8.2563 8.2563 8.3023 8.3023 8.5803 8.5803 11.9647 11.9647 12.0987 12.0987 15.3797 15.3797 15.5534 15.5534 k = 0.6422 0.2910-0.4271 ( 3311 PWs) bands (ev): -15.8756 -15.8756 -15.7885 -15.7885 -13.0502 -13.0502 -12.8711 -12.8711 -12.7938 -12.7938 -12.6487 -12.6487 -2.1783 -2.1783 -1.8131 -1.8131 -0.7668 -0.7668 -0.4258 -0.4258 -0.2917 -0.2917 -0.2284 -0.2284 0.3348 0.3348 0.5414 0.5414 2.3807 2.3807 2.5375 2.5375 3.2397 3.2397 3.4489 3.4489 3.5403 3.5403 3.9225 3.9225 4.3177 4.3177 4.5951 4.5951 4.9047 4.9047 5.3366 5.3366 6.6936 6.6936 6.8341 6.8341 6.8940 6.8940 6.9909 6.9909 7.2304 7.2304 7.3572 7.3572 7.8974 7.8974 8.2563 8.2563 8.3023 8.3023 8.5803 8.5803 11.9647 11.9647 12.0987 12.0987 15.3797 15.3797 15.5534 15.5534 k = 0.6380 0.2891-0.4102 ( 3317 PWs) bands (ev): -15.8742 -15.8742 -15.7953 -15.7953 -13.0457 -13.0457 -12.8684 -12.8684 -12.7900 -12.7900 -12.6488 -12.6488 -2.1903 -2.1903 -1.8367 -1.8367 -0.7558 -0.7558 -0.4312 -0.4312 -0.2929 -0.2929 -0.2284 -0.2284 0.3430 0.3430 0.5280 0.5280 2.4082 2.4082 2.5433 2.5433 3.2513 3.2513 3.4443 3.4443 3.5566 3.5566 3.9264 3.9264 4.3037 4.3037 4.5966 4.5966 4.9129 4.9129 5.3109 5.3109 6.6961 6.6961 6.8374 6.8374 6.9008 6.9008 6.9930 6.9930 7.2310 7.2310 7.3563 7.3563 7.9093 7.9093 8.2541 8.2541 8.3043 8.3043 8.5716 8.5716 11.9484 11.9484 12.0754 12.0754 15.4269 15.4269 15.5237 15.5237 k = 0.6338 0.2872-0.3932 ( 3319 PWs) bands (ev): -15.8735 -15.8735 -15.8022 -15.8022 -13.0401 -13.0401 -12.8655 -12.8655 -12.7860 -12.7860 -12.6489 -12.6489 -2.2033 -2.2033 -1.8631 -1.8631 -0.7453 -0.7453 -0.4370 -0.4370 -0.2952 -0.2952 -0.2278 -0.2278 0.3499 0.3499 0.5147 0.5147 2.4383 2.4383 2.5522 2.5522 3.2608 3.2608 3.4390 3.4390 3.5764 3.5764 3.9326 3.9326 4.2920 4.2920 4.5990 4.5990 4.9193 4.9193 5.2829 5.2829 6.6996 6.6996 6.8407 6.8407 6.9082 6.9082 6.9955 6.9955 7.2310 7.2310 7.3544 7.3544 7.9222 7.9222 8.2520 8.2520 8.3060 8.3060 8.5622 8.5622 11.9301 11.9301 12.0502 12.0502 15.4582 15.4582 15.4943 15.4943 k = 0.6296 0.2853-0.3763 ( 3321 PWs) bands (ev): -15.8734 -15.8734 -15.8092 -15.8092 -13.0335 -13.0335 -12.8622 -12.8622 -12.7817 -12.7817 -12.6489 -12.6489 -2.2172 -2.2172 -1.8922 -1.8922 -0.7353 -0.7353 -0.4427 -0.4427 -0.2984 -0.2984 -0.2271 -0.2271 0.3556 0.3556 0.5017 0.5017 2.4705 2.4705 2.5642 2.5642 3.2681 3.2681 3.4329 3.4329 3.5998 3.5998 3.9410 3.9410 4.2827 4.2827 4.6021 4.6021 4.9239 4.9239 5.2529 5.2529 6.7040 6.7040 6.8440 6.8440 6.9159 6.9159 6.9983 6.9983 7.2304 7.2304 7.3515 7.3515 7.9360 7.9360 8.2502 8.2502 8.3074 8.3074 8.5524 8.5524 11.9098 11.9098 12.0231 12.0231 15.4641 15.4641 15.4717 15.4717 k = 0.6255 0.2834-0.3594 ( 3326 PWs) bands (ev): -15.8739 -15.8739 -15.8163 -15.8163 -13.0259 -13.0259 -12.8588 -12.8588 -12.7772 -12.7772 -12.6488 -12.6488 -2.2320 -2.2320 -1.9237 -1.9237 -0.7258 -0.7258 -0.4482 -0.4482 -0.3025 -0.3025 -0.2265 -0.2265 0.3602 0.3602 0.4889 0.4889 2.5046 2.5046 2.5790 2.5790 3.2733 3.2733 3.4261 3.4261 3.6267 3.6267 3.9514 3.9514 4.2759 4.2759 4.6060 4.6060 4.9267 4.9267 5.2211 5.2211 6.7091 6.7091 6.8473 6.8473 6.9239 6.9239 7.0015 7.0015 7.2290 7.2290 7.3477 7.3477 7.9505 7.9505 8.2487 8.2487 8.3084 8.3084 8.5422 8.5422 11.8877 11.8877 11.9942 11.9942 15.4346 15.4346 15.4671 15.4671 k = 0.6213 0.2815-0.3424 ( 3322 PWs) bands (ev): -15.8749 -15.8749 -15.8235 -15.8235 -13.0174 -13.0174 -12.8550 -12.8550 -12.7725 -12.7725 -12.6488 -12.6488 -2.2476 -2.2476 -1.9570 -1.9570 -0.7167 -0.7167 -0.4535 -0.4535 -0.3075 -0.3075 -0.2263 -0.2263 0.3638 0.3638 0.4765 0.4765 2.5402 2.5402 2.5966 2.5966 3.2765 3.2765 3.4187 3.4187 3.6569 3.6569 3.9638 3.9638 4.2717 4.2717 4.6106 4.6106 4.9278 4.9278 5.1878 5.1878 6.7151 6.7151 6.8508 6.8508 6.9320 6.9320 7.0051 7.0051 7.2270 7.2270 7.3429 7.3429 7.9656 7.9656 8.2474 8.2474 8.3093 8.3093 8.5317 8.5317 11.8639 11.8639 11.9637 11.9637 15.4040 15.4040 15.4500 15.4500 k = 0.6171 0.2796-0.3255 ( 3314 PWs) bands (ev): -15.8765 -15.8765 -15.8308 -15.8308 -13.0081 -13.0081 -12.8511 -12.8511 -12.7677 -12.7677 -12.6487 -12.6487 -2.2639 -2.2639 -1.9920 -1.9920 -0.7079 -0.7079 -0.4583 -0.4583 -0.3132 -0.3132 -0.2267 -0.2267 0.3664 0.3664 0.4645 0.4645 2.5768 2.5768 2.6166 2.6166 3.2781 3.2781 3.4106 3.4106 3.6899 3.6899 3.9781 3.9781 4.2698 4.2698 4.6158 4.6158 4.9274 4.9274 5.1533 5.1533 6.7217 6.7217 6.8544 6.8544 6.9400 6.9400 7.0091 7.0091 7.2242 7.2242 7.3374 7.3374 7.9811 7.9811 8.2463 8.2463 8.3099 8.3099 8.5209 8.5209 11.8386 11.8386 11.9319 11.9319 15.3726 15.3726 15.4240 15.4240 k = 0.6129 0.2777-0.3085 ( 3312 PWs) bands (ev): -15.8786 -15.8786 -15.8381 -15.8381 -12.9980 -12.9980 -12.8469 -12.8469 -12.7626 -12.7626 -12.6486 -12.6486 -2.2810 -2.2810 -2.0282 -2.0282 -0.6996 -0.6996 -0.4626 -0.4626 -0.3197 -0.3197 -0.2281 -0.2281 0.3682 0.3682 0.4531 0.4531 2.6142 2.6142 2.6389 2.6389 3.2782 3.2782 3.4020 3.4020 3.7255 3.7255 3.9940 3.9940 4.2703 4.2703 4.6215 4.6215 4.9255 4.9255 5.1179 5.1179 6.7291 6.7291 6.8583 6.8583 6.9476 6.9476 7.0135 7.0135 7.2207 7.2207 7.3311 7.3311 7.9969 7.9969 8.2455 8.2455 8.3103 8.3103 8.5100 8.5100 11.8118 11.8118 11.8988 11.8988 15.3401 15.3401 15.3920 15.3920 k = 0.6087 0.2758-0.2916 ( 3312 PWs) bands (ev): -15.8811 -15.8811 -15.8454 -15.8454 -12.9871 -12.9871 -12.8425 -12.8425 -12.7575 -12.7575 -12.6486 -12.6486 -2.2987 -2.2987 -2.0654 -2.0654 -0.6914 -0.6914 -0.4663 -0.4663 -0.3270 -0.3270 -0.2304 -0.2304 0.3694 0.3694 0.4424 0.4424 2.6518 2.6518 2.6633 2.6633 3.2773 3.2773 3.3930 3.3930 3.7632 3.7632 4.0116 4.0116 4.2729 4.2729 4.6277 4.6277 4.9223 4.9223 5.0818 5.0818 6.7370 6.7370 6.8624 6.8624 6.9549 6.9549 7.0183 7.0183 7.2164 7.2164 7.3240 7.3240 8.0129 8.0129 8.2450 8.2450 8.3106 8.3106 8.4991 8.4991 11.7839 11.7839 11.8646 11.8646 15.3064 15.3064 15.3559 15.3559 k = 0.6045 0.2739-0.2747 ( 3310 PWs) bands (ev): -15.8840 -15.8840 -15.8527 -15.8527 -12.9756 -12.9756 -12.8379 -12.8379 -12.7523 -12.7523 -12.6486 -12.6486 -2.3171 -2.3171 -2.1031 -2.1031 -0.6835 -0.6835 -0.4696 -0.4696 -0.3349 -0.3349 -0.2340 -0.2340 0.3700 0.3700 0.4323 0.4323 2.6871 2.6871 2.6918 2.6918 3.2754 3.2754 3.3836 3.3836 3.8027 3.8027 4.0307 4.0307 4.2775 4.2775 4.6342 4.6342 4.9181 4.9181 5.0452 5.0452 6.7454 6.7454 6.8668 6.8668 6.9617 6.9617 7.0236 7.0236 7.2114 7.2114 7.3164 7.3164 8.0288 8.0288 8.2448 8.2448 8.3108 8.3108 8.4882 8.4882 11.7549 11.7549 11.8295 11.8295 15.2715 15.2715 15.3170 15.3170 k = 0.6004 0.2720-0.2577 ( 3314 PWs) bands (ev): -15.8872 -15.8872 -15.8599 -15.8599 -12.9636 -12.9636 -12.8331 -12.8331 -12.7470 -12.7470 -12.6487 -12.6487 -2.3359 -2.3359 -2.1412 -2.1412 -0.6757 -0.6757 -0.4722 -0.4722 -0.3435 -0.3435 -0.2388 -0.2388 0.3703 0.3703 0.4231 0.4231 2.7156 2.7156 2.7283 2.7283 3.2729 3.2729 3.3740 3.3740 3.8436 3.8436 4.0512 4.0512 4.2835 4.2835 4.6410 4.6410 4.9129 4.9129 5.0085 5.0085 6.7543 6.7543 6.8714 6.8714 6.9679 6.9679 7.0291 7.0291 7.2057 7.2057 7.3082 7.3082 8.0447 8.0447 8.2448 8.2448 8.3109 8.3109 8.4775 8.4775 11.7250 11.7250 11.7937 11.7937 15.2354 15.2354 15.2761 15.2761 k = 0.5962 0.2701-0.2408 ( 3310 PWs) bands (ev): -15.8908 -15.8908 -15.8671 -15.8671 -12.9511 -12.9511 -12.8281 -12.8281 -12.7417 -12.7417 -12.6488 -12.6488 -2.3552 -2.3552 -2.1793 -2.1793 -0.6679 -0.6679 -0.4744 -0.4744 -0.3527 -0.3527 -0.2448 -0.2448 0.3702 0.3702 0.4146 0.4146 2.7441 2.7441 2.7655 2.7655 3.2698 3.2698 3.3643 3.3643 3.8856 3.8856 4.0731 4.0731 4.2908 4.2908 4.6480 4.6480 4.9072 4.9072 4.9719 4.9719 6.7637 6.7637 6.8763 6.8763 6.9736 6.9736 7.0348 7.0348 7.1994 7.1994 7.2996 7.2996 8.0605 8.0605 8.2451 8.2451 8.3110 8.3110 8.4669 8.4669 11.6945 11.6945 11.7574 11.7574 15.1981 15.1981 15.2338 15.2338 k = 0.5920 0.2682-0.2239 ( 3308 PWs) bands (ev): -15.8947 -15.8947 -15.8742 -15.8742 -12.9382 -12.9382 -12.8229 -12.8229 -12.7364 -12.7364 -12.6490 -12.6490 -2.3749 -2.3749 -2.2171 -2.2171 -0.6602 -0.6602 -0.4761 -0.4761 -0.3624 -0.3624 -0.2522 -0.2522 0.3698 0.3698 0.4070 0.4070 2.7735 2.7735 2.8021 2.8021 3.2664 3.2664 3.3547 3.3547 3.9282 3.9282 4.0962 4.0962 4.2988 4.2988 4.6553 4.6553 4.9008 4.9008 4.9359 4.9359 6.7736 6.7736 6.8816 6.8816 6.9787 6.9787 7.0406 7.0406 7.1925 7.1925 7.2906 7.2906 8.0760 8.0760 8.2457 8.2457 8.3111 8.3111 8.4564 8.4564 11.6636 11.6636 11.7208 11.7208 15.1599 15.1599 15.1905 15.1905 k = 0.5878 0.2663-0.2069 ( 3313 PWs) bands (ev): -15.8987 -15.8987 -15.8812 -15.8812 -12.9250 -12.9250 -12.8176 -12.8176 -12.7312 -12.7312 -12.6494 -12.6494 -2.3948 -2.3948 -2.2545 -2.2545 -0.6524 -0.6524 -0.4774 -0.4774 -0.3725 -0.3725 -0.2608 -0.2608 0.3694 0.3694 0.4002 0.4002 2.8033 2.8033 2.8378 2.8378 3.2628 3.2628 3.3451 3.3451 3.9709 3.9709 4.1206 4.1206 4.3070 4.3070 4.6628 4.6628 4.8915 4.8915 4.9033 4.9033 6.7837 6.7837 6.8870 6.8870 6.9834 6.9834 7.0463 7.0463 7.1851 7.1851 7.2813 7.2813 8.0911 8.0911 8.2465 8.2465 8.3112 8.3112 8.4463 8.4463 11.6323 11.6323 11.6841 11.6841 15.1207 15.1207 15.1466 15.1466 k = 0.5836 0.2645-0.1900 ( 3319 PWs) bands (ev): -15.9030 -15.9030 -15.8880 -15.8880 -12.9116 -12.9116 -12.8122 -12.8122 -12.7260 -12.7260 -12.6498 -12.6498 -2.4149 -2.4149 -2.2912 -2.2912 -0.6445 -0.6445 -0.4783 -0.4783 -0.3830 -0.3830 -0.2706 -0.2706 0.3688 0.3688 0.3943 0.3943 2.8335 2.8335 2.8725 2.8725 3.2591 3.2591 3.3358 3.3358 4.0133 4.0133 4.1464 4.1464 4.3148 4.3148 4.6706 4.6706 4.8628 4.8628 4.8912 4.8912 6.7941 6.7941 6.8928 6.8928 6.9876 6.9876 7.0518 7.0518 7.1773 7.1773 7.2718 7.2718 8.1059 8.1059 8.2475 8.2475 8.3112 8.3112 8.4363 8.4363 11.6009 11.6009 11.6475 11.6475 15.0809 15.0809 15.1024 15.1024 k = 0.5795 0.2626-0.1730 ( 3319 PWs) bands (ev): -15.9073 -15.9073 -15.8947 -15.8947 -12.8980 -12.8980 -12.8066 -12.8066 -12.7210 -12.7210 -12.6504 -12.6504 -2.4350 -2.4350 -2.3269 -2.3269 -0.6366 -0.6366 -0.4788 -0.4788 -0.3937 -0.3937 -0.2814 -0.2814 0.3683 0.3683 0.3892 0.3892 2.8638 2.8638 2.9060 2.9060 3.2554 3.2554 3.3268 3.3268 4.0545 4.0545 4.1737 4.1737 4.3217 4.3217 4.6788 4.6788 4.8297 4.8297 4.8854 4.8854 6.8049 6.8049 6.8987 6.8987 6.9914 6.9914 7.0569 7.0569 7.1693 7.1693 7.2623 7.2623 8.1204 8.1204 8.2488 8.2488 8.3114 8.3114 8.4267 8.4267 11.5696 11.5696 11.6111 11.6111 15.0407 15.0407 15.0582 15.0582 k = 0.5753 0.2607-0.1561 ( 3319 PWs) bands (ev): -15.9118 -15.9118 -15.9011 -15.9011 -12.8844 -12.8844 -12.8010 -12.8010 -12.7161 -12.7161 -12.6512 -12.6512 -2.4551 -2.4551 -2.3616 -2.3616 -0.6285 -0.6285 -0.4791 -0.4791 -0.4045 -0.4045 -0.2932 -0.2932 0.3677 0.3677 0.3847 0.3847 2.8940 2.8940 2.9383 2.9383 3.2517 3.2517 3.3181 3.3181 4.0937 4.0937 4.2031 4.2031 4.3270 4.3270 4.6875 4.6875 4.7977 4.7977 4.8805 4.8805 6.8159 6.8159 6.9049 6.9049 6.9948 6.9948 7.0614 7.0614 7.1612 7.1612 7.2528 7.2528 8.1344 8.1344 8.2503 8.2503 8.3115 8.3115 8.4172 8.4172 11.5386 11.5386 11.5752 11.5752 15.0002 15.0002 15.0143 15.0143 k = 0.5711 0.2588-0.1392 ( 3320 PWs) bands (ev): -15.9162 -15.9162 -15.9074 -15.9074 -12.8708 -12.8708 -12.7952 -12.7952 -12.7114 -12.7114 -12.6521 -12.6521 -2.4751 -2.4751 -2.3950 -2.3950 -0.6204 -0.6204 -0.4791 -0.4791 -0.4154 -0.4154 -0.3058 -0.3058 0.3672 0.3672 0.3810 0.3810 2.9238 2.9238 2.9692 2.9692 3.2482 3.2482 3.3099 3.3099 4.1296 4.1296 4.2348 4.2348 4.3302 4.3302 4.6969 4.6969 4.7676 4.7676 4.8764 4.8764 6.8270 6.8270 6.9111 6.9111 6.9979 6.9979 7.0652 7.0652 7.1532 7.1532 7.2434 7.2434 8.1479 8.1479 8.2519 8.2519 8.3117 8.3117 8.4081 8.4081 11.5080 11.5080 11.5400 11.5400 14.9598 14.9598 14.9709 14.9709 k = 0.5669 0.2569-0.1222 ( 3321 PWs) bands (ev): -15.9207 -15.9207 -15.9134 -15.9134 -12.8572 -12.8572 -12.7894 -12.7894 -12.7070 -12.7070 -12.6532 -12.6532 -2.4948 -2.4948 -2.4270 -2.4270 -0.6122 -0.6122 -0.4790 -0.4790 -0.4261 -0.4261 -0.3191 -0.3191 0.3668 0.3668 0.3779 0.3779 2.9532 2.9532 2.9986 2.9986 3.2449 3.2449 3.3021 3.3021 4.1614 4.1614 4.2693 4.2693 4.3311 4.3311 4.7070 4.7070 4.7401 4.7401 4.8731 4.8731 6.8383 6.8383 6.9174 6.9174 7.0007 7.0007 7.0680 7.0680 7.1455 7.1455 7.2342 7.2342 8.1610 8.1610 8.2537 8.2537 8.3119 8.3119 8.3992 8.3992 11.4780 11.4780 11.5056 11.5056 14.9197 14.9197 14.9283 14.9283 k = 0.5627 0.2550-0.1053 ( 3321 PWs) bands (ev): -15.9251 -15.9251 -15.9192 -15.9192 -12.8438 -12.8438 -12.7835 -12.7835 -12.7029 -12.7029 -12.6545 -12.6545 -2.5141 -2.5141 -2.4575 -2.4575 -0.6039 -0.6039 -0.4788 -0.4788 -0.4366 -0.4366 -0.3328 -0.3328 0.3664 0.3664 0.3753 0.3753 2.9818 2.9818 3.0265 3.0265 3.2418 3.2418 3.2948 3.2948 4.1884 4.1884 4.3062 4.3062 4.3295 4.3295 4.7134 4.7134 4.7201 4.7201 4.8703 4.8703 6.8497 6.8497 6.9238 6.9238 7.0032 7.0032 7.0697 7.0697 7.1384 7.1384 7.2253 7.2253 8.1736 8.1736 8.2557 8.2557 8.3121 8.3121 8.3906 8.3906 11.4488 11.4488 11.4723 11.4723 14.8802 14.8802 14.8868 14.8868 k = 0.5585 0.2531-0.0883 ( 3325 PWs) bands (ev): -15.9295 -15.9295 -15.9247 -15.9247 -12.8307 -12.8307 -12.7776 -12.7776 -12.6990 -12.6990 -12.6560 -12.6560 -2.5329 -2.5329 -2.4863 -2.4863 -0.5956 -0.5956 -0.4786 -0.4786 -0.4467 -0.4467 -0.3469 -0.3469 0.3661 0.3661 0.3732 0.3732 3.0095 3.0095 3.0529 3.0529 3.2390 3.2390 3.2880 3.2880 4.2104 4.2104 4.3246 4.3246 4.3458 4.3458 4.6939 4.6939 4.7302 4.7302 4.8681 4.8681 6.8611 6.8611 6.9301 6.9301 7.0055 7.0055 7.0699 7.0699 7.1321 7.1321 7.2167 7.2167 8.1857 8.1857 8.2578 8.2578 8.3123 8.3123 8.3823 8.3823 11.4205 11.4205 11.4403 11.4403 14.8416 14.8416 14.8465 14.8465 k = 0.5544 0.2512-0.0714 ( 3317 PWs) bands (ev): -15.9337 -15.9337 -15.9299 -15.9299 -12.8178 -12.8178 -12.7716 -12.7716 -12.6956 -12.6956 -12.6576 -12.6576 -2.5511 -2.5511 -2.5133 -2.5133 -0.5873 -0.5873 -0.4784 -0.4784 -0.4563 -0.4563 -0.3611 -0.3611 0.3658 0.3658 0.3715 0.3715 3.0362 3.0362 3.0777 3.0777 3.2365 3.2365 3.2818 3.2818 4.2276 4.2276 4.3180 4.3180 4.3856 4.3856 4.6772 4.6772 4.7422 4.7422 4.8661 4.8661 6.8726 6.8726 6.9364 6.9364 7.0074 7.0074 7.0687 7.0687 7.1269 7.1269 7.2086 7.2086 8.1973 8.1973 8.2600 8.2600 8.3125 8.3125 8.3743 8.3743 11.3933 11.3933 11.4096 11.4096 14.8041 14.8041 14.8077 14.8077 k = 0.5502 0.2493-0.0545 ( 3321 PWs) bands (ev): -15.9377 -15.9377 -15.9348 -15.9348 -12.8053 -12.8053 -12.7657 -12.7657 -12.6925 -12.6925 -12.6595 -12.6595 -2.5686 -2.5686 -2.5386 -2.5386 -0.5790 -0.5790 -0.4784 -0.4784 -0.4653 -0.4653 -0.3753 -0.3753 0.3657 0.3657 0.3701 0.3701 3.0617 3.0617 3.1010 3.1010 3.2344 3.2344 3.2760 3.2760 4.2398 4.2398 4.3092 4.3092 4.4257 4.4257 4.6653 4.6653 4.7544 4.7544 4.8641 4.8641 6.8839 6.8839 6.9425 6.9425 7.0091 7.0091 7.0659 7.0659 7.1230 7.1230 7.2008 7.2008 8.2083 8.2083 8.2622 8.2622 8.3125 8.3125 8.3665 8.3665 11.3673 11.3673 11.3806 11.3806 14.7681 14.7681 14.7706 14.7706 k = 0.5460 0.2474-0.0375 ( 3317 PWs) bands (ev): -15.9416 -15.9416 -15.9393 -15.9393 -12.7933 -12.7933 -12.7597 -12.7597 -12.6899 -12.6899 -12.6617 -12.6617 -2.5852 -2.5852 -2.5619 -2.5619 -0.5708 -0.5708 -0.4789 -0.4789 -0.4731 -0.4731 -0.3893 -0.3893 0.3655 0.3655 0.3691 0.3691 3.0860 3.0860 3.1226 3.1226 3.2326 3.2326 3.2707 3.2707 4.2473 4.2473 4.2987 4.2987 4.4655 4.4655 4.6584 4.6584 4.7664 4.7664 4.8619 4.8619 6.8952 6.8952 6.9484 6.9484 7.0105 7.0105 7.0617 7.0617 7.1202 7.1202 7.1936 7.1936 8.2188 8.2188 8.2645 8.2645 8.3125 8.3125 8.3589 8.3589 11.3428 11.3428 11.3533 11.3533 14.7338 14.7338 14.7356 14.7356 k = 0.5418 0.2455-0.0206 ( 3312 PWs) bands (ev): -15.9452 -15.9452 -15.9435 -15.9435 -12.7817 -12.7817 -12.7538 -12.7538 -12.6878 -12.6878 -12.6640 -12.6640 -2.6009 -2.6009 -2.5832 -2.5832 -0.5628 -0.5628 -0.4826 -0.4826 -0.4772 -0.4772 -0.4031 -0.4031 0.3654 0.3654 0.3682 0.3682 3.1088 3.1088 3.1426 3.1426 3.2313 3.2313 3.2659 3.2659 4.2503 4.2503 4.2871 4.2871 4.5044 4.5044 4.6567 4.6567 4.7776 4.7776 4.8593 4.8593 6.9062 6.9062 6.9542 6.9542 7.0116 7.0116 7.0565 7.0565 7.1184 7.1184 7.1867 7.1867 8.2287 8.2287 8.2668 8.2668 8.3123 8.3123 8.3517 8.3517 11.3197 11.3197 11.3280 11.3280 14.7015 14.7015 14.7027 14.7027 k = 0.5376 0.2436-0.0037 ( 3314 PWs) bands (ev): -15.9486 -15.9486 -15.9474 -15.9474 -12.7706 -12.7706 -12.7479 -12.7479 -12.6862 -12.6862 -12.6666 -12.6666 -2.6156 -2.6156 -2.6026 -2.6026 -0.5549 -0.5549 -0.4888 -0.4888 -0.4781 -0.4781 -0.4164 -0.4164 0.3654 0.3654 0.3676 0.3676 3.1302 3.1302 3.1609 3.1609 3.2303 3.2303 3.2615 3.2615 4.2493 4.2493 4.2747 4.2747 4.5420 4.5420 4.6597 4.6597 4.7878 4.7878 4.8560 4.8560 6.9169 6.9169 6.9596 6.9596 7.0124 7.0124 7.0507 7.0507 7.1174 7.1174 7.1803 7.1803 8.2380 8.2380 8.2692 8.2692 8.3119 8.3119 8.3448 8.3448 11.2984 11.2984 11.3046 11.3046 14.6714 14.6714 14.6722 14.6722 k = 0.5335 0.2417 0.0133 ( 3312 PWs) bands (ev): -15.9517 -15.9517 -15.9508 -15.9508 -12.7601 -12.7601 -12.7421 -12.7421 -12.6851 -12.6851 -12.6694 -12.6694 -2.6291 -2.6291 -2.6199 -2.6199 -0.5473 -0.5473 -0.4944 -0.4944 -0.4789 -0.4789 -0.4291 -0.4291 0.3653 0.3653 0.3671 0.3671 3.1498 3.1498 3.1774 3.1774 3.2296 3.2296 3.2574 3.2574 4.2452 4.2452 4.2621 4.2621 4.5779 4.5779 4.6668 4.6668 4.7964 4.7964 4.8520 4.8520 6.9273 6.9273 6.9648 6.9648 7.0129 7.0129 7.0445 7.0445 7.1171 7.1171 7.1742 7.1742 8.2468 8.2468 8.2716 8.2716 8.3114 8.3114 8.3382 8.3382 11.2788 11.2788 11.2834 11.2834 14.6438 14.6438 14.6444 14.6444 k = 0.5293 0.2398 0.0302 ( 3316 PWs) bands (ev): -15.9545 -15.9545 -15.9539 -15.9539 -12.7502 -12.7502 -12.7364 -12.7364 -12.6847 -12.6847 -12.6724 -12.6724 -2.6413 -2.6413 -2.6351 -2.6351 -0.5399 -0.5399 -0.4990 -0.4990 -0.4799 -0.4799 -0.4411 -0.4411 0.3653 0.3653 0.3668 0.3668 3.1677 3.1677 3.1920 3.1920 3.2293 3.2293 3.2538 3.2538 4.2390 4.2390 4.2499 4.2499 4.6119 4.6119 4.6770 4.6770 4.8033 4.8033 4.8470 4.8470 6.9373 6.9373 6.9697 6.9697 7.0129 7.0129 7.0381 7.0381 7.1173 7.1173 7.1684 7.1684 8.2548 8.2548 8.2741 8.2741 8.3106 8.3106 8.3319 8.3319 11.2612 11.2612 11.2645 11.2645 14.6189 14.6189 14.6193 14.6193 k = 0.5251 0.2379 0.0472 ( 3317 PWs) bands (ev): -15.9570 -15.9570 -15.9566 -15.9566 -12.7409 -12.7409 -12.7308 -12.7308 -12.6848 -12.6848 -12.6757 -12.6757 -2.6522 -2.6522 -2.6482 -2.6482 -0.5328 -0.5328 -0.5026 -0.5026 -0.4813 -0.4813 -0.4524 -0.4524 0.3653 0.3653 0.3665 0.3665 3.1838 3.1838 3.2047 3.2047 3.2294 3.2294 3.2504 3.2504 4.2316 4.2316 4.2384 4.2384 4.6436 4.6436 4.6896 4.6896 4.8080 4.8080 4.8409 4.8409 6.9468 6.9468 6.9743 6.9743 7.0126 7.0126 7.0319 7.0319 7.1181 7.1181 7.1628 7.1628 8.2623 8.2623 8.2766 8.2766 8.3096 8.3096 8.3260 8.3260 11.2456 11.2456 11.2480 11.2480 14.5969 14.5969 14.5972 14.5972 k = 0.5209 0.2360 0.0641 ( 3321 PWs) bands (ev): -15.9591 -15.9591 -15.9589 -15.9589 -12.7323 -12.7323 -12.7253 -12.7253 -12.6856 -12.6856 -12.6792 -12.6792 -2.6616 -2.6616 -2.6593 -2.6593 -0.5261 -0.5261 -0.5050 -0.5050 -0.4831 -0.4831 -0.4627 -0.4627 0.3653 0.3653 0.3663 0.3663 3.1979 3.1979 3.2154 3.2154 3.2298 3.2298 3.2474 3.2474 4.2239 4.2239 4.2280 4.2280 4.6730 4.6730 4.7037 4.7037 4.8103 4.8103 4.8337 4.8337 6.9557 6.9557 6.9785 6.9785 7.0119 7.0119 7.0258 7.0258 7.1193 7.1193 7.1574 7.1574 8.2692 8.2692 8.2793 8.2793 8.3082 8.3082 8.3205 8.3205 11.2322 11.2322 11.2339 11.2339 14.5780 14.5780 14.5783 14.5783 k = 0.5167 0.2341 0.0810 ( 3325 PWs) bands (ev): -15.9609 -15.9609 -15.9608 -15.9608 -12.7244 -12.7244 -12.7199 -12.7199 -12.6871 -12.6871 -12.6829 -12.6829 -2.6695 -2.6695 -2.6683 -2.6683 -0.5198 -0.5198 -0.5062 -0.5062 -0.4852 -0.4852 -0.4721 -0.4721 0.3654 0.3654 0.3661 0.3661 3.2100 3.2100 3.2240 3.2240 3.2305 3.2305 3.2446 3.2446 4.2166 4.2166 4.2190 4.2190 4.6997 4.6997 4.7187 4.7187 4.8100 4.8100 4.8253 4.8253 6.9639 6.9639 6.9823 6.9823 7.0108 7.0108 7.0200 7.0200 7.1211 7.1211 7.1522 7.1522 8.2754 8.2754 8.2819 8.2819 8.3066 8.3066 8.3153 8.3153 11.2211 11.2211 11.2223 11.2223 14.5623 14.5623 14.5625 14.5625 k = 0.5125 0.2322 0.0980 ( 3330 PWs) bands (ev): -15.9623 -15.9623 -15.9622 -15.9622 -12.7172 -12.7172 -12.7147 -12.7147 -12.6892 -12.6892 -12.6868 -12.6868 -2.6758 -2.6758 -2.6752 -2.6752 -0.5139 -0.5139 -0.5063 -0.5063 -0.4878 -0.4878 -0.4804 -0.4804 0.3654 0.3654 0.3660 0.3660 3.2199 3.2199 3.2303 3.2303 3.2315 3.2315 3.2421 3.2421 4.2103 4.2103 4.2117 4.2117 4.7236 4.7236 4.7339 4.7339 4.8069 4.8069 4.8158 4.8158 6.9714 6.9714 6.9857 6.9857 7.0093 7.0093 7.0146 7.0146 7.1235 7.1235 7.1472 7.1472 8.2809 8.2809 8.2847 8.2847 8.3047 8.3047 8.3106 8.3106 11.2124 11.2124 11.2132 11.2132 14.5500 14.5500 14.5501 14.5501 k = 0.5084 0.2303 0.1149 ( 3334 PWs) bands (ev): -15.9633 -15.9633 -15.9633 -15.9633 -12.7107 -12.7107 -12.7096 -12.7096 -12.6920 -12.6920 -12.6910 -12.6910 -2.6804 -2.6804 -2.6801 -2.6801 -0.5085 -0.5085 -0.5051 -0.5051 -0.4909 -0.4909 -0.4876 -0.4876 0.3655 0.3655 0.3659 0.3659 3.2275 3.2275 3.2326 3.2326 3.2346 3.2346 3.2397 3.2397 4.2056 4.2056 4.2063 4.2063 4.7445 4.7445 4.7489 4.7489 4.8011 4.8011 4.8051 4.8051 6.9781 6.9781 6.9883 6.9883 7.0077 7.0077 7.0099 7.0099 7.1264 7.1264 7.1424 7.1424 8.2857 8.2857 8.2874 8.2874 8.3025 8.3025 8.3063 8.3063 11.2061 11.2061 11.2067 11.2067 14.5411 14.5411 14.5412 14.5412 k = 0.5042 0.2285 0.1318 ( 3334 PWs) bands (ev): -15.9639 -15.9639 -15.9639 -15.9639 -12.7050 -12.7050 -12.7047 -12.7047 -12.6956 -12.6956 -12.6953 -12.6953 -2.6831 -2.6831 -2.6830 -2.6830 -0.5036 -0.5036 -0.5029 -0.5029 -0.4943 -0.4943 -0.4935 -0.4935 0.3656 0.3656 0.3658 0.3658 3.2328 3.2328 3.2341 3.2341 3.2363 3.2363 3.2376 3.2376 4.2026 4.2026 4.2030 4.2030 4.7619 4.7619 4.7629 4.7629 4.7929 4.7929 4.7938 4.7938 6.9838 6.9838 6.9894 6.9894 7.0061 7.0061 7.0065 7.0065 7.1298 7.1298 7.1379 7.1379 8.2894 8.2894 8.2898 8.2898 8.3007 8.3007 8.3027 8.3027 11.2024 11.2024 11.2027 11.2027 14.5358 14.5358 14.5358 14.5358 k = 0.5000 0.2266 0.1488 ( 3326 PWs) bands (ev): -15.9641 -15.9641 -15.9641 -15.9641 -12.7006 -12.7006 -12.7006 -12.7006 -12.6992 -12.6992 -12.6992 -12.6992 -2.6840 -2.6840 -2.6840 -2.6840 -0.5006 -0.5006 -0.5006 -0.5006 -0.4969 -0.4969 -0.4969 -0.4969 0.3657 0.3657 0.3657 0.3657 3.2356 3.2356 3.2356 3.2356 3.2360 3.2360 3.2360 3.2360 4.2018 4.2018 4.2018 4.2018 4.7716 4.7716 4.7716 4.7716 4.7861 4.7861 4.7861 4.7861 6.9879 6.9879 6.9880 6.9880 7.0053 7.0053 7.0054 7.0054 7.1336 7.1336 7.1337 7.1337 8.2910 8.2910 8.2911 8.2911 8.3004 8.3004 8.3005 8.3005 11.2013 11.2013 11.2013 11.2013 14.5340 14.5340 14.5340 14.5340 k = 0.5000-0.4385-0.2879 ( 3320 PWs) bands (ev): -15.8343 -15.8343 -15.8343 -15.8343 -12.9165 -12.9165 -12.9165 -12.9165 -12.7640 -12.7640 -12.7640 -12.7640 -1.9706 -1.9706 -1.9706 -1.9706 -0.6729 -0.6729 -0.6729 -0.6729 -0.1405 -0.1405 -0.1405 -0.1405 0.2878 0.2878 0.2878 0.2878 2.5033 2.5033 2.5033 2.5033 3.1467 3.1467 3.1467 3.1467 4.0305 4.0305 4.0305 4.0305 4.3778 4.3778 4.3778 4.3778 5.0866 5.0866 5.0866 5.0866 6.8687 6.8687 6.8688 6.8688 7.0208 7.0208 7.0210 7.0210 7.2310 7.2310 7.2311 7.2311 8.2360 8.2360 8.2361 8.2361 8.3264 8.3264 8.3265 8.3265 11.9252 11.9252 11.9252 11.9252 15.0603 15.0603 15.0603 15.0603 k = 0.5124-0.4286-0.2815 ( 3315 PWs) bands (ev): -15.8353 -15.8353 -15.8333 -15.8333 -12.9241 -12.9241 -12.9089 -12.9089 -12.7697 -12.7697 -12.7581 -12.7581 -1.9820 -1.9820 -1.9593 -1.9593 -0.6839 -0.6839 -0.6610 -0.6610 -0.1573 -0.1573 -0.1239 -0.1239 0.2717 0.2717 0.3041 0.3041 2.4951 2.4951 2.5112 2.5112 3.1378 3.1378 3.1565 3.1565 3.9994 3.9994 4.0616 4.0616 4.3748 4.3748 4.3795 4.3795 5.0806 5.0806 5.0929 5.0929 6.8648 6.8648 6.8721 6.8721 7.0145 7.0145 7.0270 7.0270 7.2251 7.2251 7.2375 7.2375 8.2197 8.2197 8.2519 8.2519 8.3223 8.3223 8.3309 8.3309 11.9238 11.9238 11.9272 11.9272 15.0605 15.0605 15.0623 15.0623 k = 0.5247-0.4188-0.2750 ( 3319 PWs) bands (ev): -15.8362 -15.8362 -15.8323 -15.8323 -12.9317 -12.9317 -12.9015 -12.9015 -12.7755 -12.7755 -12.7523 -12.7523 -1.9934 -1.9934 -1.9481 -1.9481 -0.6940 -0.6940 -0.6483 -0.6483 -0.1742 -0.1742 -0.1078 -0.1078 0.2558 0.2558 0.3202 0.3202 2.4869 2.4869 2.5190 2.5190 3.1300 3.1300 3.1670 3.1670 3.9682 3.9682 4.0924 4.0924 4.3702 4.3702 4.3798 4.3798 5.0748 5.0748 5.0997 5.0997 6.8604 6.8604 6.8750 6.8750 7.0077 7.0077 7.0325 7.0325 7.2193 7.2193 7.2440 7.2440 8.2029 8.2029 8.2667 8.2667 8.3185 8.3185 8.3360 8.3360 11.9230 11.9230 11.9299 11.9299 15.0627 15.0627 15.0663 15.0663 k = 0.5371-0.4089-0.2685 ( 3317 PWs) bands (ev): -15.8372 -15.8372 -15.8312 -15.8312 -12.9394 -12.9394 -12.8942 -12.8942 -12.7812 -12.7812 -12.7465 -12.7465 -2.0048 -2.0048 -1.9371 -1.9371 -0.7034 -0.7034 -0.6348 -0.6348 -0.1909 -0.1909 -0.0927 -0.0927 0.2407 0.2407 0.3361 0.3361 2.4787 2.4787 2.5263 2.5263 3.1233 3.1233 3.1783 3.1783 3.9371 3.9371 4.1228 4.1228 4.3639 4.3639 4.3791 4.3791 5.0691 5.0691 5.1070 5.1070 6.8554 6.8554 6.8773 6.8773 7.0007 7.0007 7.0375 7.0375 7.2140 7.2140 7.2507 7.2507 8.1860 8.1860 8.2800 8.2800 8.3152 8.3152 8.3421 8.3421 11.9228 11.9228 11.9332 11.9332 15.0669 15.0669 15.0724 15.0724 k = 0.5495-0.3991-0.2621 ( 3315 PWs) bands (ev): -15.8381 -15.8381 -15.8300 -15.8300 -12.9470 -12.9470 -12.8870 -12.8870 -12.7869 -12.7869 -12.7407 -12.7407 -2.0161 -2.0161 -1.9262 -1.9262 -0.7119 -0.7119 -0.6204 -0.6204 -0.2073 -0.2073 -0.0789 -0.0789 0.2267 0.2267 0.3517 0.3517 2.4705 2.4705 2.5332 2.5332 3.1178 3.1178 3.1903 3.1903 3.9062 3.9062 4.1528 4.1528 4.3558 4.3558 4.3776 4.3776 5.0634 5.0634 5.1149 5.1149 6.8499 6.8499 6.8790 6.8790 6.9936 6.9936 7.0417 7.0417 7.2092 7.2092 7.2575 7.2575 8.1689 8.1689 8.2907 8.2907 8.3127 8.3127 8.3496 8.3496 11.9230 11.9230 11.9372 11.9372 15.0731 15.0731 15.0806 15.0806 k = 0.5618-0.3892-0.2556 ( 3314 PWs) bands (ev): -15.8391 -15.8391 -15.8288 -15.8288 -12.9546 -12.9546 -12.8799 -12.8799 -12.7924 -12.7924 -12.7350 -12.7350 -2.0273 -2.0273 -1.9157 -1.9157 -0.7195 -0.7195 -0.6053 -0.6053 -0.2233 -0.2233 -0.0671 -0.0671 0.2145 0.2145 0.3667 0.3667 2.4625 2.4625 2.5395 2.5395 3.1136 3.1136 3.2028 3.2028 3.8756 3.8756 4.1821 4.1821 4.3458 4.3458 4.3755 4.3755 5.0576 5.0576 5.1234 5.1234 6.8439 6.8439 6.8803 6.8803 6.9864 6.9864 7.0452 7.0452 7.2051 7.2051 7.2642 7.2642 8.1518 8.1518 8.2969 8.2969 8.3126 8.3126 8.3590 8.3590 11.9237 11.9237 11.9419 11.9419 15.0813 15.0813 15.0908 15.0908 k = 0.5742-0.3794-0.2491 ( 3313 PWs) bands (ev): -15.8401 -15.8401 -15.8275 -15.8275 -12.9622 -12.9622 -12.8730 -12.8730 -12.7980 -12.7980 -12.7293 -12.7293 -2.0384 -2.0384 -1.9054 -1.9054 -0.7264 -0.7264 -0.5895 -0.5895 -0.2388 -0.2388 -0.0579 -0.0579 0.2045 0.2045 0.3813 0.3813 2.4547 2.4547 2.5451 2.5451 3.1109 3.1109 3.2158 3.2158 3.8454 3.8454 4.2106 4.2106 4.3339 4.3339 4.3732 4.3732 5.0517 5.0517 5.1327 5.1327 6.8374 6.8374 6.8810 6.8810 6.9792 6.9792 7.0476 7.0476 7.2018 7.2018 7.2710 7.2710 8.1348 8.1348 8.2975 8.2975 8.3157 8.3157 8.3702 8.3702 11.9249 11.9249 11.9474 11.9474 15.0913 15.0913 15.1030 15.1030 k = 0.5865-0.3695-0.2427 ( 3315 PWs) bands (ev): -15.8411 -15.8411 -15.8261 -15.8261 -12.9696 -12.9696 -12.8664 -12.8664 -12.8034 -12.8034 -12.7236 -12.7236 -2.0493 -2.0493 -1.8954 -1.8954 -0.7325 -0.7325 -0.5730 -0.5730 -0.2537 -0.2537 -0.0522 -0.0522 0.1977 0.1977 0.3953 0.3953 2.4471 2.4471 2.5499 2.5499 3.1097 3.1097 3.2292 3.2292 3.8157 3.8157 4.2378 4.2378 4.3201 4.3201 4.3709 4.3709 5.0454 5.0454 5.1427 5.1427 6.8305 6.8305 6.8811 6.8811 6.9720 6.9720 7.0491 7.0491 7.1993 7.1993 7.2776 7.2776 8.1179 8.1179 8.2953 8.2953 8.3195 8.3195 8.3830 8.3830 11.9263 11.9263 11.9535 11.9535 15.1031 15.1031 15.1173 15.1173 k = 0.5989-0.3597-0.2362 ( 3309 PWs) bands (ev): -15.8423 -15.8423 -15.8245 -15.8245 -12.9769 -12.9769 -12.8599 -12.8599 -12.8087 -12.8087 -12.7180 -12.7180 -2.0600 -2.0600 -1.8859 -1.8859 -0.7379 -0.7379 -0.5558 -0.5558 -0.2678 -0.2678 -0.0505 -0.0505 0.1945 0.1945 0.4087 0.4087 2.4397 2.4397 2.5539 2.5539 3.1101 3.1101 3.2430 3.2430 3.7867 3.7867 4.2633 4.2633 4.3045 4.3045 4.3694 4.3694 5.0388 5.0388 5.1533 5.1533 6.8232 6.8232 6.8807 6.8807 6.9650 6.9650 7.0496 7.0496 7.1978 7.1978 7.2842 7.2842 8.1012 8.1012 8.2923 8.2923 8.3227 8.3227 8.3967 8.3967 11.9281 11.9281 11.9602 11.9602 15.1168 15.1168 15.1335 15.1335 k = 0.6113-0.3498-0.2297 ( 3309 PWs) bands (ev): -15.8434 -15.8434 -15.8229 -15.8229 -12.9841 -12.9841 -12.8536 -12.8536 -12.8139 -12.8139 -12.7125 -12.7125 -2.0705 -2.0705 -1.8768 -1.8768 -0.7426 -0.7426 -0.5382 -0.5382 -0.2812 -0.2812 -0.0531 -0.0531 0.1953 0.1953 0.4214 0.4214 2.4327 2.4327 2.5569 2.5569 3.1121 3.1121 3.2570 3.2570 3.7583 3.7583 4.2841 4.2841 4.2889 4.2889 4.3699 4.3699 5.0319 5.0319 5.1647 5.1647 6.8154 6.8154 6.8798 6.8798 6.9581 6.9581 7.0491 7.0491 7.1971 7.1971 7.2907 7.2907 8.0847 8.0847 8.2891 8.2891 8.3250 8.3250 8.4109 8.4109 11.9302 11.9302 11.9676 11.9676 15.1320 15.1320 15.1516 15.1516 k = 0.6236-0.3400-0.2233 ( 3309 PWs) bands (ev): -15.8447 -15.8447 -15.8212 -15.8212 -12.9910 -12.9910 -12.8476 -12.8476 -12.8190 -12.8190 -12.7070 -12.7070 -2.0807 -2.0807 -1.8681 -1.8681 -0.7467 -0.7467 -0.5202 -0.5202 -0.2936 -0.2936 -0.0599 -0.0599 0.1998 0.1998 0.4335 0.4335 2.4260 2.4260 2.5590 2.5590 3.1159 3.1159 3.2713 3.2713 3.7309 3.7309 4.2674 4.2674 4.3041 4.3041 4.3742 4.3742 5.0245 5.0245 5.1766 5.1766 6.8073 6.8073 6.8784 6.8784 6.9514 6.9514 7.0475 7.0475 7.1973 7.1973 7.2970 7.2970 8.0684 8.0684 8.2859 8.2859 8.3265 8.3265 8.4253 8.4253 11.9325 11.9325 11.9756 11.9756 15.1489 15.1489 15.1715 15.1715 k = 0.6360-0.3301-0.2168 ( 3307 PWs) bands (ev): -15.8461 -15.8461 -15.8194 -15.8194 -12.9977 -12.9977 -12.8418 -12.8418 -12.8240 -12.8240 -12.7017 -12.7017 -2.0906 -2.0906 -1.8600 -1.8600 -0.7501 -0.7501 -0.5019 -0.5019 -0.3050 -0.3050 -0.0704 -0.0704 0.2074 0.2074 0.4449 0.4449 2.4197 2.4197 2.5601 2.5601 3.1213 3.1213 3.2857 3.2857 3.7044 3.7044 4.2466 4.2466 4.3151 4.3151 4.3847 4.3847 5.0168 5.0168 5.1890 5.1890 6.7988 6.7988 6.8765 6.8765 6.9451 6.9451 7.0451 7.0451 7.1983 7.1983 7.3031 7.3031 8.0525 8.0525 8.2827 8.2827 8.3274 8.3274 8.4397 8.4397 11.9350 11.9350 11.9841 11.9841 15.1672 15.1672 15.1931 15.1931 k = 0.6484-0.3203-0.2103 ( 3307 PWs) bands (ev): -15.8476 -15.8476 -15.8175 -15.8175 -13.0042 -13.0042 -12.8363 -12.8363 -12.8288 -12.8288 -12.6965 -12.6965 -2.1002 -2.1002 -1.8524 -1.8524 -0.7530 -0.7530 -0.4837 -0.4837 -0.3151 -0.3151 -0.0839 -0.0839 0.2175 0.2175 0.4556 0.4556 2.4138 2.4138 2.5603 2.5603 3.1284 3.1284 3.3003 3.3003 3.6790 3.6790 4.2241 4.2241 4.3196 4.3196 4.4008 4.4008 5.0088 5.0088 5.2019 5.2019 6.7901 6.7901 6.8741 6.8741 6.9391 6.9391 7.0419 7.0419 7.1999 7.1999 7.3090 7.3090 8.0369 8.0369 8.2796 8.2796 8.3276 8.3276 8.4540 8.4540 11.9375 11.9375 11.9931 11.9931 15.1868 15.1868 15.2164 15.2164 k = 0.6607-0.3104-0.2038 ( 3311 PWs) bands (ev): -15.8493 -15.8493 -15.8154 -15.8154 -13.0104 -13.0104 -12.8338 -12.8338 -12.8308 -12.8308 -12.6914 -12.6914 -2.1094 -2.1094 -1.8454 -1.8454 -0.7553 -0.7553 -0.4659 -0.4659 -0.3236 -0.3236 -0.0996 -0.0996 0.2292 0.2292 0.4658 0.4658 2.4083 2.4083 2.5597 2.5597 3.1369 3.1369 3.3149 3.3149 3.6549 3.6549 4.2003 4.2003 4.3204 4.3204 4.4200 4.4200 5.0003 5.0003 5.2151 5.2151 6.7811 6.7811 6.8713 6.8713 6.9334 6.9334 7.0381 7.0381 7.2020 7.2020 7.3147 7.3147 8.0216 8.0216 8.2767 8.2767 8.3273 8.3273 8.4679 8.4679 11.9402 11.9402 12.0024 12.0024 15.2075 15.2075 15.2413 15.2413 k = 0.6731-0.3006-0.1974 ( 3315 PWs) bands (ev): -15.8511 -15.8511 -15.8133 -15.8133 -13.0163 -13.0163 -12.8382 -12.8382 -12.8259 -12.8259 -12.6864 -12.6864 -2.1183 -2.1183 -1.8391 -1.8391 -0.7573 -0.7573 -0.4492 -0.4492 -0.3299 -0.3299 -0.1170 -0.1170 0.2419 0.2419 0.4753 0.4753 2.4033 2.4033 2.5582 2.5582 3.1468 3.1468 3.3295 3.3295 3.6321 3.6321 4.1753 4.1753 4.3194 4.3194 4.4404 4.4404 4.9915 4.9915 5.2284 5.2284 6.7720 6.7720 6.8680 6.8680 6.9281 6.9281 7.0338 7.0338 7.2046 7.2046 7.3202 7.3202 8.0067 8.0067 8.2738 8.2738 8.3266 8.3266 8.4814 8.4814 11.9429 11.9429 12.0121 12.0121 15.2293 15.2293 15.2676 15.2676 k = 0.6854-0.2907-0.1909 ( 3319 PWs) bands (ev): -15.8530 -15.8530 -15.8110 -15.8110 -13.0218 -13.0218 -12.8426 -12.8426 -12.8212 -12.8212 -12.6816 -12.6816 -2.1267 -2.1267 -1.8334 -1.8334 -0.7588 -0.7588 -0.4345 -0.4345 -0.3331 -0.3331 -0.1356 -0.1356 0.2551 0.2551 0.4842 0.4842 2.3987 2.3987 2.5562 2.5562 3.1579 3.1579 3.3440 3.3440 3.6111 3.6111 4.1492 4.1492 4.3178 4.3178 4.4608 4.4608 4.9823 4.9823 5.2419 5.2419 6.7627 6.7627 6.8645 6.8645 6.9232 6.9232 7.0291 7.0291 7.2074 7.2074 7.3255 7.3255 7.9923 7.9923 8.2711 8.2711 8.3253 8.3253 8.4946 8.4946 11.9456 11.9456 12.0221 12.0221 15.2518 15.2518 15.2954 15.2954 k = 0.6978-0.2809-0.1844 ( 3317 PWs) bands (ev): -15.8552 -15.8552 -15.8086 -15.8086 -13.0269 -13.0269 -12.8468 -12.8468 -12.8168 -12.8168 -12.6769 -12.6769 -2.1348 -2.1348 -1.8284 -1.8284 -0.7601 -0.7601 -0.4233 -0.4233 -0.3320 -0.3320 -0.1549 -0.1549 0.2682 0.2682 0.4926 0.4926 2.3945 2.3945 2.5536 2.5536 3.1698 3.1698 3.3584 3.3584 3.5918 3.5918 4.1222 4.1222 4.3160 4.3160 4.4808 4.4808 4.9730 4.9730 5.2553 5.2553 6.7535 6.7535 6.8607 6.8607 6.9186 6.9186 7.0243 7.0243 7.2105 7.2105 7.3305 7.3305 7.9784 7.9784 8.2686 8.2686 8.3237 8.3237 8.5073 8.5073 11.9483 11.9483 12.0322 12.0322 15.2747 15.2747 15.3244 15.3244 k = 0.7102-0.2710-0.1780 ( 3321 PWs) bands (ev): -15.8575 -15.8575 -15.8060 -15.8060 -13.0316 -13.0316 -12.8508 -12.8508 -12.8126 -12.8126 -12.6723 -12.6723 -2.1424 -2.1424 -1.8240 -1.8240 -0.7611 -0.7611 -0.4165 -0.4165 -0.3256 -0.3256 -0.1747 -0.1747 0.2810 0.2810 0.5004 0.5004 2.3909 2.3909 2.5507 2.5507 3.1823 3.1823 3.3725 3.3725 3.5747 3.5747 4.0945 4.0945 4.3145 4.3145 4.5000 4.5000 4.9634 4.9634 5.2685 5.2685 6.7442 6.7442 6.8567 6.8567 6.9144 6.9144 7.0192 7.0192 7.2136 7.2136 7.3352 7.3352 7.9650 7.9650 8.2662 8.2662 8.3217 8.3217 8.5194 8.5194 11.9510 11.9510 12.0423 12.0423 15.2976 15.2976 15.3545 15.3545 k = 0.7225-0.2612-0.1715 ( 3317 PWs) bands (ev): -15.8600 -15.8600 -15.8034 -15.8034 -13.0359 -13.0359 -12.8547 -12.8547 -12.8088 -12.8088 -12.6679 -12.6679 -2.1496 -2.1496 -1.8204 -1.8204 -0.7619 -0.7619 -0.4141 -0.4141 -0.3143 -0.3143 -0.1947 -0.1947 0.2930 0.2930 0.5079 0.5079 2.3878 2.3878 2.5477 2.5477 3.1949 3.1949 3.3864 3.3864 3.5601 3.5601 4.0662 4.0662 4.3134 4.3134 4.5184 4.5184 4.9537 4.9537 5.2814 5.2814 6.7350 6.7350 6.8527 6.8527 6.9104 6.9104 7.0142 7.0142 7.2168 7.2168 7.3397 7.3397 7.9522 7.9522 8.2641 8.2641 8.3193 8.3193 8.5311 8.5311 11.9536 11.9536 12.0524 12.0524 15.3200 15.3200 15.3857 15.3857 k = 0.7349-0.2513-0.1650 ( 3314 PWs) bands (ev): -15.8627 -15.8627 -15.8006 -15.8006 -13.0398 -13.0398 -12.8584 -12.8584 -12.8052 -12.8052 -12.6637 -12.6637 -2.1563 -2.1563 -1.8175 -1.8175 -0.7627 -0.7627 -0.4146 -0.4146 -0.2994 -0.2994 -0.2147 -0.2147 0.3041 0.3041 0.5150 0.5150 2.3853 2.3853 2.5448 2.5448 3.2071 3.2071 3.3999 3.3999 3.5484 3.5484 4.0376 4.0376 4.3129 4.3129 4.5358 4.5358 4.9439 4.9439 5.2938 5.2938 6.7261 6.7261 6.8487 6.8487 6.9067 6.9067 7.0092 7.0092 7.2199 7.2199 7.3439 7.3439 7.9400 7.9400 8.2621 8.2621 8.3165 8.3165 8.5421 8.5421 11.9561 11.9561 12.0623 12.0623 15.3409 15.3409 15.4178 15.4178 k = 0.7473-0.2415-0.1586 ( 3311 PWs) bands (ev): -15.8656 -15.8656 -15.7978 -15.7978 -13.0432 -13.0432 -12.8619 -12.8619 -12.8019 -12.8019 -12.6597 -12.6597 -2.1625 -2.1625 -1.8153 -1.8153 -0.7635 -0.7635 -0.4167 -0.4167 -0.2826 -0.2826 -0.2345 -0.2345 0.3141 0.3141 0.5218 0.5218 2.3832 2.3832 2.5421 2.5421 3.2182 3.2182 3.4130 3.4130 3.5401 3.5401 4.0087 4.0087 4.3130 4.3130 4.5522 4.5522 4.9340 4.9340 5.3057 5.3057 6.7173 6.7173 6.8448 6.8448 6.9033 6.9033 7.0043 7.0043 7.2229 7.2229 7.3477 7.3477 7.9283 7.9283 8.2604 8.2604 8.3134 8.3134 8.5526 8.5526 11.9584 11.9584 12.0720 12.0720 15.3593 15.3593 15.4508 15.4508 k = 0.7596-0.2316-0.1521 ( 3305 PWs) bands (ev): -15.8687 -15.8687 -15.7948 -15.7948 -13.0460 -13.0460 -12.8652 -12.8652 -12.7989 -12.7989 -12.6559 -12.6559 -2.1683 -2.1683 -1.8139 -1.8139 -0.7644 -0.7644 -0.4196 -0.4196 -0.2654 -0.2654 -0.2533 -0.2533 0.3226 0.3226 0.5284 0.5284 2.3818 2.3818 2.5399 2.5399 3.2277 3.2277 3.4256 3.4256 3.5356 3.5356 3.9798 3.9798 4.3138 4.3138 4.5675 4.5675 4.9242 4.9242 5.3169 5.3169 6.7090 6.7090 6.8410 6.8410 6.9000 6.9000 6.9996 6.9996 7.2256 7.2256 7.3512 7.3512 7.9174 7.9174 8.2588 8.2588 8.3100 8.3100 8.5625 8.5625 11.9607 11.9607 12.0814 12.0814 15.3734 15.3734 15.4844 15.4844 k = 0.7720-0.2218-0.1456 ( 3311 PWs) bands (ev): -15.8720 -15.8720 -15.7917 -15.7917 -13.0484 -13.0484 -12.8682 -12.8682 -12.7962 -12.7962 -12.6522 -12.6522 -2.1735 -2.1735 -1.8131 -1.8131 -0.7654 -0.7654 -0.4227 -0.4227 -0.2735 -0.2735 -0.2461 -0.2461 0.3295 0.3295 0.5349 0.5349 2.3810 2.3810 2.5383 2.5383 3.2350 3.2350 3.4375 3.4375 3.5356 3.5356 3.9510 3.9510 4.3154 4.3154 4.5818 4.5818 4.9144 4.9144 5.3272 5.3272 6.7010 6.7010 6.8374 6.8374 6.8969 6.8969 6.9951 6.9951 7.2281 7.2281 7.3544 7.3544 7.9071 7.9071 8.2574 8.2574 8.3063 8.3063 8.5717 8.5717 11.9627 11.9627 12.0903 12.0903 15.3811 15.3811 15.5187 15.5187 k = 0.7844-0.2119-0.1392 ( 3311 PWs) bands (ev): -15.8756 -15.8756 -15.7885 -15.7885 -13.0502 -13.0502 -12.8711 -12.8711 -12.7938 -12.7938 -12.6487 -12.6487 -2.1783 -2.1783 -1.8131 -1.8131 -0.7668 -0.7668 -0.4258 -0.4258 -0.2917 -0.2917 -0.2284 -0.2284 0.3348 0.3348 0.5414 0.5414 2.3807 2.3807 2.5375 2.5375 3.2397 3.2397 3.4489 3.4489 3.5403 3.5403 3.9225 3.9225 4.3177 4.3177 4.5951 4.5951 4.9047 4.9047 5.3366 5.3366 6.6936 6.6936 6.8341 6.8341 6.8940 6.8940 6.9909 6.9909 7.2304 7.2304 7.3572 7.3572 7.8974 7.8974 8.2563 8.2563 8.3023 8.3023 8.5803 8.5803 11.9647 11.9647 12.0987 12.0987 15.3797 15.3797 15.5534 15.5534 Writing output data file NiCO3.save init_run : 0.35s CPU 0.58s WALL ( 1 calls) electrons : 266.58s CPU 270.67s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 266.57s CPU 270.66s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.08s WALL ( 290 calls) cegterg : 248.24s CPU 251.11s WALL ( 424 calls) Called by sum_band: Called by *egterg: h_psi : 128.50s CPU 130.24s WALL ( 7082 calls) s_psi : 6.68s CPU 6.51s WALL ( 7082 calls) g_psi : 0.24s CPU 0.24s WALL ( 6368 calls) cdiaghg : 106.45s CPU 107.96s WALL ( 6658 calls) cegterg:over : 8.81s CPU 8.98s WALL ( 6368 calls) cegterg:upda : 7.22s CPU 7.24s WALL ( 6368 calls) cegterg:last : 3.50s CPU 3.44s WALL ( 1004 calls) cdiaghg:chol : 6.14s CPU 6.28s WALL ( 6658 calls) cdiaghg:inve : 4.59s CPU 4.70s WALL ( 6658 calls) cdiaghg:para : 8.36s CPU 8.38s WALL ( 13316 calls) Called by h_psi: h_psi:vloc : 111.91s CPU 113.57s WALL ( 7082 calls) h_psi:vnl : 16.30s CPU 16.42s WALL ( 7082 calls) add_vuspsi : 8.28s CPU 8.34s WALL ( 7082 calls) General routines calbec : 8.00s CPU 8.05s WALL ( 7082 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 103.91s CPU 105.59s WALL ( 1045508 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.25s WALL ( 580 calls) Parallel routines fft_scatter : 34.43s CPU 35.06s WALL ( 1045531 calls) PWSCF : 4m44.60s CPU 5m18.79s WALL This run was terminated on: 17:25:32 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=