Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:29:31 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: ./CaP3.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 65 43 12 2301 1259 189 Max 66 44 13 2306 1276 190 Sum 2351 1579 447 82887 45629 6815 bravais-lattice index = 14 lattice parameter (alat) = 10.5636 a.u. unit-cell volume = 1082.6514 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.563568 celldm(2)= 1.005009 celldm(3)= 1.013417 celldm(4)= 0.342676 celldm(5)= 0.182407 celldm(6)= 0.262526 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.263841 0.969758 0.000000 ) a(3) = ( 0.184854 0.309604 0.947094 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.272069 -0.106242 ) b(2) = ( 0.000000 1.031185 -0.337093 ) b(3) = ( 0.000000 0.000000 1.055861 ) PseudoPot. # 1 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef 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 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ca 10.00 40.07800 Ca( 1.00) P 5.00 30.97380 P( 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= 252 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.5000000 -0.1360344 -0.0531208), wk = 0.0039683 k( 2) = ( 0.4833333 -0.1314999 -0.0513501), wk = 0.0039683 k( 3) = ( 0.4666667 -0.1269655 -0.0495794), wk = 0.0039683 k( 4) = ( 0.4500000 -0.1224310 -0.0478087), wk = 0.0039683 k( 5) = ( 0.4333333 -0.1178965 -0.0460380), wk = 0.0039683 k( 6) = ( 0.4166667 -0.1133620 -0.0442673), wk = 0.0039683 k( 7) = ( 0.4000000 -0.1088275 -0.0424967), wk = 0.0039683 k( 8) = ( 0.3833333 -0.1042931 -0.0407260), wk = 0.0039683 k( 9) = ( 0.3666667 -0.0997586 -0.0389553), wk = 0.0039683 k( 10) = ( 0.3500000 -0.0952241 -0.0371846), wk = 0.0039683 k( 11) = ( 0.3333333 -0.0906896 -0.0354139), wk = 0.0039683 k( 12) = ( 0.3166667 -0.0861551 -0.0336432), wk = 0.0039683 k( 13) = ( 0.3000000 -0.0816207 -0.0318725), wk = 0.0039683 k( 14) = ( 0.2833333 -0.0770862 -0.0301018), wk = 0.0039683 k( 15) = ( 0.2666667 -0.0725517 -0.0283311), wk = 0.0039683 k( 16) = ( 0.2500000 -0.0680172 -0.0265604), wk = 0.0039683 k( 17) = ( 0.2333333 -0.0634827 -0.0247897), wk = 0.0039683 k( 18) = ( 0.2166667 -0.0589483 -0.0230190), wk = 0.0039683 k( 19) = ( 0.2000000 -0.0544138 -0.0212483), wk = 0.0039683 k( 20) = ( 0.1833333 -0.0498793 -0.0194776), wk = 0.0039683 k( 21) = ( 0.1666667 -0.0453448 -0.0177069), wk = 0.0039683 k( 22) = ( 0.1500000 -0.0408103 -0.0159362), wk = 0.0039683 k( 23) = ( 0.1333333 -0.0362758 -0.0141655), wk = 0.0039683 k( 24) = ( 0.1166667 -0.0317414 -0.0123949), wk = 0.0039683 k( 25) = ( 0.1000000 -0.0272069 -0.0106242), wk = 0.0039683 k( 26) = ( 0.0833333 -0.0226724 -0.0088535), wk = 0.0039683 k( 27) = ( 0.0666667 -0.0181379 -0.0070828), wk = 0.0039683 k( 28) = ( 0.0500000 -0.0136034 -0.0053121), wk = 0.0039683 k( 29) = ( 0.0333333 -0.0090690 -0.0035414), wk = 0.0039683 k( 30) = ( 0.0166667 -0.0045345 -0.0017707), wk = 0.0039683 k( 31) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 33) = ( 0.0000000 0.0166320 -0.0054370), wk = 0.0039683 k( 34) = ( 0.0000000 0.0332640 -0.0108740), wk = 0.0039683 k( 35) = ( 0.0000000 0.0498960 -0.0163110), wk = 0.0039683 k( 36) = ( 0.0000000 0.0665281 -0.0217479), wk = 0.0039683 k( 37) = ( 0.0000000 0.0831601 -0.0271849), wk = 0.0039683 k( 38) = ( 0.0000000 0.0997921 -0.0326219), wk = 0.0039683 k( 39) = ( 0.0000000 0.1164241 -0.0380589), wk = 0.0039683 k( 40) = ( 0.0000000 0.1330561 -0.0434959), wk = 0.0039683 k( 41) = ( 0.0000000 0.1496881 -0.0489329), wk = 0.0039683 k( 42) = ( 0.0000000 0.1663201 -0.0543698), wk = 0.0039683 k( 43) = ( 0.0000000 0.1829522 -0.0598068), wk = 0.0039683 k( 44) = ( 0.0000000 0.1995842 -0.0652438), wk = 0.0039683 k( 45) = ( 0.0000000 0.2162162 -0.0706808), wk = 0.0039683 k( 46) = ( 0.0000000 0.2328482 -0.0761178), wk = 0.0039683 k( 47) = ( 0.0000000 0.2494802 -0.0815548), wk = 0.0039683 k( 48) = ( 0.0000000 0.2661122 -0.0869918), wk = 0.0039683 k( 49) = ( 0.0000000 0.2827443 -0.0924287), wk = 0.0039683 k( 50) = ( 0.0000000 0.2993763 -0.0978657), wk = 0.0039683 k( 51) = ( 0.0000000 0.3160083 -0.1033027), wk = 0.0039683 k( 52) = ( 0.0000000 0.3326403 -0.1087397), wk = 0.0039683 k( 53) = ( 0.0000000 0.3492723 -0.1141767), wk = 0.0039683 k( 54) = ( 0.0000000 0.3659043 -0.1196137), wk = 0.0039683 k( 55) = ( 0.0000000 0.3825363 -0.1250507), wk = 0.0039683 k( 56) = ( 0.0000000 0.3991684 -0.1304876), wk = 0.0039683 k( 57) = ( 0.0000000 0.4158004 -0.1359246), wk = 0.0039683 k( 58) = ( 0.0000000 0.4324324 -0.1413616), wk = 0.0039683 k( 59) = ( 0.0000000 0.4490644 -0.1467986), wk = 0.0039683 k( 60) = ( 0.0000000 0.4656964 -0.1522356), wk = 0.0039683 k( 61) = ( 0.0000000 0.4823284 -0.1576726), wk = 0.0039683 k( 62) = ( 0.0000000 0.4989604 -0.1631096), wk = 0.0039683 k( 63) = ( 0.0000000 0.5155925 -0.1685465), wk = 0.0039683 k( 64) = ( 0.5000000 0.3795580 -0.2216674), wk = 0.0039683 k( 65) = ( 0.4868421 0.3695697 -0.2158340), wk = 0.0039683 k( 66) = ( 0.4736842 0.3595813 -0.2100006), wk = 0.0039683 k( 67) = ( 0.4605263 0.3495929 -0.2041673), wk = 0.0039683 k( 68) = ( 0.4473684 0.3396046 -0.1983339), wk = 0.0039683 k( 69) = ( 0.4342105 0.3296162 -0.1925006), wk = 0.0039683 k( 70) = ( 0.4210526 0.3196278 -0.1866672), wk = 0.0039683 k( 71) = ( 0.4078947 0.3096394 -0.1808339), wk = 0.0039683 k( 72) = ( 0.3947368 0.2996511 -0.1750005), wk = 0.0039683 k( 73) = ( 0.3815789 0.2896627 -0.1691672), wk = 0.0039683 k( 74) = ( 0.3684211 0.2796743 -0.1633338), wk = 0.0039683 k( 75) = ( 0.3552632 0.2696860 -0.1575005), wk = 0.0039683 k( 76) = ( 0.3421053 0.2596976 -0.1516671), wk = 0.0039683 k( 77) = ( 0.3289474 0.2497092 -0.1458338), wk = 0.0039683 k( 78) = ( 0.3157895 0.2397209 -0.1400004), wk = 0.0039683 k( 79) = ( 0.3026316 0.2297325 -0.1341671), wk = 0.0039683 k( 80) = ( 0.2894737 0.2197441 -0.1283337), wk = 0.0039683 k( 81) = ( 0.2763158 0.2097558 -0.1225004), wk = 0.0039683 k( 82) = ( 0.2631579 0.1997674 -0.1166670), wk = 0.0039683 k( 83) = ( 0.2500000 0.1897790 -0.1108337), wk = 0.0039683 k( 84) = ( 0.2368421 0.1797907 -0.1050003), wk = 0.0039683 k( 85) = ( 0.2236842 0.1698023 -0.0991670), wk = 0.0039683 k( 86) = ( 0.2105263 0.1598139 -0.0933336), wk = 0.0039683 k( 87) = ( 0.1973684 0.1498255 -0.0875003), wk = 0.0039683 k( 88) = ( 0.1842105 0.1398372 -0.0816669), wk = 0.0039683 k( 89) = ( 0.1710526 0.1298488 -0.0758336), wk = 0.0039683 k( 90) = ( 0.1578947 0.1198604 -0.0700002), wk = 0.0039683 k( 91) = ( 0.1447368 0.1098721 -0.0641669), wk = 0.0039683 k( 92) = ( 0.1315790 0.0998837 -0.0583335), wk = 0.0039683 k( 93) = ( 0.1184210 0.0898953 -0.0525002), wk = 0.0039683 k( 94) = ( 0.1052632 0.0799070 -0.0466668), wk = 0.0039683 k( 95) = ( 0.0921053 0.0699186 -0.0408335), wk = 0.0039683 k( 96) = ( 0.0789474 0.0599302 -0.0350001), wk = 0.0039683 k( 97) = ( 0.0657895 0.0499418 -0.0291668), wk = 0.0039683 k( 98) = ( 0.0526316 0.0399535 -0.0233334), wk = 0.0039683 k( 99) = ( 0.0394737 0.0299651 -0.0175001), wk = 0.0039683 k( 100) = ( 0.0263158 0.0199767 -0.0116667), wk = 0.0039683 k( 101) = ( 0.0131579 0.0099884 -0.0058333), wk = 0.0039683 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 104) = ( 0.0000000 0.0000000 0.0175977), wk = 0.0039683 k( 105) = ( 0.0000000 0.0000000 0.0351954), wk = 0.0039683 k( 106) = ( 0.0000000 0.0000000 0.0527930), wk = 0.0039683 k( 107) = ( 0.0000000 0.0000000 0.0703907), wk = 0.0039683 k( 108) = ( 0.0000000 0.0000000 0.0879884), wk = 0.0039683 k( 109) = ( 0.0000000 0.0000000 0.1055861), wk = 0.0039683 k( 110) = ( 0.0000000 0.0000000 0.1231838), wk = 0.0039683 k( 111) = ( 0.0000000 0.0000000 0.1407815), wk = 0.0039683 k( 112) = ( 0.0000000 0.0000000 0.1583791), wk = 0.0039683 k( 113) = ( 0.0000000 0.0000000 0.1759768), wk = 0.0039683 k( 114) = ( 0.0000000 0.0000000 0.1935745), wk = 0.0039683 k( 115) = ( 0.0000000 0.0000000 0.2111722), wk = 0.0039683 k( 116) = ( 0.0000000 0.0000000 0.2287699), wk = 0.0039683 k( 117) = ( 0.0000000 0.0000000 0.2463675), wk = 0.0039683 k( 118) = ( 0.0000000 0.0000000 0.2639652), wk = 0.0039683 k( 119) = ( 0.0000000 0.0000000 0.2815629), wk = 0.0039683 k( 120) = ( 0.0000000 0.0000000 0.2991606), wk = 0.0039683 k( 121) = ( 0.0000000 0.0000000 0.3167583), wk = 0.0039683 k( 122) = ( 0.0000000 0.0000000 0.3343560), wk = 0.0039683 k( 123) = ( 0.0000000 0.0000000 0.3519536), wk = 0.0039683 k( 124) = ( 0.0000000 0.0000000 0.3695513), wk = 0.0039683 k( 125) = ( 0.0000000 0.0000000 0.3871490), wk = 0.0039683 k( 126) = ( 0.0000000 0.0000000 0.4047467), wk = 0.0039683 k( 127) = ( 0.0000000 0.0000000 0.4223444), wk = 0.0039683 k( 128) = ( 0.0000000 0.0000000 0.4399421), wk = 0.0039683 k( 129) = ( 0.0000000 0.0000000 0.4575397), wk = 0.0039683 k( 130) = ( 0.0000000 0.0000000 0.4751374), wk = 0.0039683 k( 131) = ( 0.0000000 0.0000000 0.4927351), wk = 0.0039683 k( 132) = ( 0.0000000 0.0000000 0.5103328), wk = 0.0039683 k( 133) = ( 0.0000000 0.0000000 0.5279305), wk = 0.0039683 k( 134) = ( 0.5000000 -0.1360344 0.4748097), wk = 0.0039683 k( 135) = ( 0.4875000 -0.1326336 0.4629394), wk = 0.0039683 k( 136) = ( 0.4750000 -0.1292327 0.4510692), wk = 0.0039683 k( 137) = ( 0.4625000 -0.1258318 0.4391989), wk = 0.0039683 k( 138) = ( 0.4500000 -0.1224310 0.4273287), wk = 0.0039683 k( 139) = ( 0.4375000 -0.1190301 0.4154584), wk = 0.0039683 k( 140) = ( 0.4250000 -0.1156293 0.4035882), wk = 0.0039683 k( 141) = ( 0.4125000 -0.1122284 0.3917180), wk = 0.0039683 k( 142) = ( 0.4000000 -0.1088275 0.3798477), wk = 0.0039683 k( 143) = ( 0.3875000 -0.1054267 0.3679775), wk = 0.0039683 k( 144) = ( 0.3750000 -0.1020258 0.3561072), wk = 0.0039683 k( 145) = ( 0.3625000 -0.0986250 0.3442370), wk = 0.0039683 k( 146) = ( 0.3500000 -0.0952241 0.3323668), wk = 0.0039683 k( 147) = ( 0.3375000 -0.0918232 0.3204965), wk = 0.0039683 k( 148) = ( 0.3250000 -0.0884224 0.3086263), wk = 0.0039683 k( 149) = ( 0.3125000 -0.0850215 0.2967560), wk = 0.0039683 k( 150) = ( 0.3000000 -0.0816207 0.2848858), wk = 0.0039683 k( 151) = ( 0.2875000 -0.0782198 0.2730156), wk = 0.0039683 k( 152) = ( 0.2750000 -0.0748189 0.2611453), wk = 0.0039683 k( 153) = ( 0.2625000 -0.0714181 0.2492751), wk = 0.0039683 k( 154) = ( 0.2500000 -0.0680172 0.2374048), wk = 0.0039683 k( 155) = ( 0.2375000 -0.0646164 0.2255346), wk = 0.0039683 k( 156) = ( 0.2250000 -0.0612155 0.2136643), wk = 0.0039683 k( 157) = ( 0.2125000 -0.0578146 0.2017941), wk = 0.0039683 k( 158) = ( 0.2000000 -0.0544138 0.1899239), wk = 0.0039683 k( 159) = ( 0.1875000 -0.0510129 0.1780536), wk = 0.0039683 k( 160) = ( 0.1750000 -0.0476120 0.1661834), wk = 0.0039683 k( 161) = ( 0.1625000 -0.0442112 0.1543131), wk = 0.0039683 k( 162) = ( 0.1500000 -0.0408103 0.1424429), wk = 0.0039683 k( 163) = ( 0.1375000 -0.0374095 0.1305727), wk = 0.0039683 k( 164) = ( 0.1250000 -0.0340086 0.1187024), wk = 0.0039683 k( 165) = ( 0.1125000 -0.0306077 0.1068322), wk = 0.0039683 k( 166) = ( 0.1000000 -0.0272069 0.0949619), wk = 0.0039683 k( 167) = ( 0.0875000 -0.0238060 0.0830917), wk = 0.0039683 k( 168) = ( 0.0750000 -0.0204052 0.0712214), wk = 0.0039683 k( 169) = ( 0.0625000 -0.0170043 0.0593512), wk = 0.0039683 k( 170) = ( 0.0500000 -0.0136034 0.0474810), wk = 0.0039683 k( 171) = ( 0.0375000 -0.0102026 0.0356107), wk = 0.0039683 k( 172) = ( 0.0250000 -0.0068017 0.0237405), wk = 0.0039683 k( 173) = ( 0.0125000 -0.0034009 0.0118702), wk = 0.0039683 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 176) = ( 0.0000000 0.0143220 0.0099829), wk = 0.0039683 k( 177) = ( 0.0000000 0.0286440 0.0199658), wk = 0.0039683 k( 178) = ( 0.0000000 0.0429660 0.0299487), wk = 0.0039683 k( 179) = ( 0.0000000 0.0572881 0.0399316), wk = 0.0039683 k( 180) = ( 0.0000000 0.0716101 0.0499144), wk = 0.0039683 k( 181) = ( 0.0000000 0.0859321 0.0598973), wk = 0.0039683 k( 182) = ( 0.0000000 0.1002541 0.0698802), wk = 0.0039683 k( 183) = ( 0.0000000 0.1145761 0.0798631), wk = 0.0039683 k( 184) = ( 0.0000000 0.1288981 0.0898460), wk = 0.0039683 k( 185) = ( 0.0000000 0.1432201 0.0998289), wk = 0.0039683 k( 186) = ( 0.0000000 0.1575421 0.1098118), wk = 0.0039683 k( 187) = ( 0.0000000 0.1718642 0.1197946), wk = 0.0039683 k( 188) = ( 0.0000000 0.1861862 0.1297775), wk = 0.0039683 k( 189) = ( 0.0000000 0.2005082 0.1397604), wk = 0.0039683 k( 190) = ( 0.0000000 0.2148302 0.1497433), wk = 0.0039683 k( 191) = ( 0.0000000 0.2291522 0.1597262), wk = 0.0039683 k( 192) = ( 0.0000000 0.2434742 0.1697091), wk = 0.0039683 k( 193) = ( 0.0000000 0.2577962 0.1796920), wk = 0.0039683 k( 194) = ( 0.0000000 0.2721182 0.1896749), wk = 0.0039683 k( 195) = ( 0.0000000 0.2864403 0.1996577), wk = 0.0039683 k( 196) = ( 0.0000000 0.3007623 0.2096406), wk = 0.0039683 k( 197) = ( 0.0000000 0.3150843 0.2196235), wk = 0.0039683 k( 198) = ( 0.0000000 0.3294063 0.2296064), wk = 0.0039683 k( 199) = ( 0.0000000 0.3437283 0.2395893), wk = 0.0039683 k( 200) = ( 0.0000000 0.3580503 0.2495722), wk = 0.0039683 k( 201) = ( 0.0000000 0.3723723 0.2595551), wk = 0.0039683 k( 202) = ( 0.0000000 0.3866943 0.2695379), wk = 0.0039683 k( 203) = ( 0.0000000 0.4010164 0.2795208), wk = 0.0039683 k( 204) = ( 0.0000000 0.4153384 0.2895037), wk = 0.0039683 k( 205) = ( 0.0000000 0.4296604 0.2994866), wk = 0.0039683 k( 206) = ( 0.0000000 0.4439824 0.3094695), wk = 0.0039683 k( 207) = ( 0.0000000 0.4583044 0.3194524), wk = 0.0039683 k( 208) = ( 0.0000000 0.4726264 0.3294353), wk = 0.0039683 k( 209) = ( 0.0000000 0.4869484 0.3394182), wk = 0.0039683 k( 210) = ( 0.0000000 0.5012704 0.3494010), wk = 0.0039683 k( 211) = ( 0.0000000 0.5155925 0.3593839), wk = 0.0039683 k( 212) = ( 0.5000000 0.3795580 0.3062631), wk = 0.0039683 k( 213) = ( 0.4875000 0.3700691 0.2986065), wk = 0.0039683 k( 214) = ( 0.4750000 0.3605801 0.2909500), wk = 0.0039683 k( 215) = ( 0.4625000 0.3510912 0.2832934), wk = 0.0039683 k( 216) = ( 0.4500000 0.3416022 0.2756368), wk = 0.0039683 k( 217) = ( 0.4375000 0.3321133 0.2679802), wk = 0.0039683 k( 218) = ( 0.4250000 0.3226243 0.2603236), wk = 0.0039683 k( 219) = ( 0.4125000 0.3131354 0.2526671), wk = 0.0039683 k( 220) = ( 0.4000000 0.3036464 0.2450105), wk = 0.0039683 k( 221) = ( 0.3875000 0.2941575 0.2373539), wk = 0.0039683 k( 222) = ( 0.3750000 0.2846685 0.2296973), wk = 0.0039683 k( 223) = ( 0.3625000 0.2751796 0.2220408), wk = 0.0039683 k( 224) = ( 0.3500000 0.2656906 0.2143842), wk = 0.0039683 k( 225) = ( 0.3375000 0.2562017 0.2067276), wk = 0.0039683 k( 226) = ( 0.3250000 0.2467127 0.1990710), wk = 0.0039683 k( 227) = ( 0.3125000 0.2372238 0.1914144), wk = 0.0039683 k( 228) = ( 0.3000000 0.2277348 0.1837579), wk = 0.0039683 k( 229) = ( 0.2875000 0.2182459 0.1761013), wk = 0.0039683 k( 230) = ( 0.2750000 0.2087569 0.1684447), wk = 0.0039683 k( 231) = ( 0.2625000 0.1992680 0.1607881), wk = 0.0039683 k( 232) = ( 0.2500000 0.1897790 0.1531316), wk = 0.0039683 k( 233) = ( 0.2375000 0.1802901 0.1454750), wk = 0.0039683 k( 234) = ( 0.2250000 0.1708011 0.1378184), wk = 0.0039683 k( 235) = ( 0.2125000 0.1613122 0.1301618), wk = 0.0039683 k( 236) = ( 0.2000000 0.1518232 0.1225052), wk = 0.0039683 k( 237) = ( 0.1875000 0.1423343 0.1148487), wk = 0.0039683 k( 238) = ( 0.1750000 0.1328453 0.1071921), wk = 0.0039683 k( 239) = ( 0.1625000 0.1233564 0.0995355), wk = 0.0039683 k( 240) = ( 0.1500000 0.1138674 0.0918789), wk = 0.0039683 k( 241) = ( 0.1375000 0.1043785 0.0842224), wk = 0.0039683 k( 242) = ( 0.1250000 0.0948895 0.0765658), wk = 0.0039683 k( 243) = ( 0.1125000 0.0854006 0.0689092), wk = 0.0039683 k( 244) = ( 0.1000000 0.0759116 0.0612526), wk = 0.0039683 k( 245) = ( 0.0875000 0.0664227 0.0535960), wk = 0.0039683 k( 246) = ( 0.0750000 0.0569337 0.0459395), wk = 0.0039683 k( 247) = ( 0.0625000 0.0474448 0.0382829), wk = 0.0039683 k( 248) = ( 0.0500000 0.0379558 0.0306263), wk = 0.0039683 k( 249) = ( 0.0375000 0.0284669 0.0229697), wk = 0.0039683 k( 250) = ( 0.0250000 0.0189779 0.0153132), wk = 0.0039683 k( 251) = ( 0.0125000 0.0094890 0.0076566), wk = 0.0039683 k( 252) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 cryst. coord. k( 1) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0039683 k( 2) = ( 0.4833333 0.0000000 -0.0000000), wk = 0.0039683 k( 3) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0039683 k( 4) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0039683 k( 5) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0039683 k( 6) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0039683 k( 7) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0039683 k( 8) = ( 0.3833333 -0.0000000 0.0000000), wk = 0.0039683 k( 9) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0039683 k( 10) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0039683 k( 11) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0039683 k( 12) = ( 0.3166667 0.0000000 0.0000000), wk = 0.0039683 k( 13) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0039683 k( 14) = ( 0.2833333 0.0000000 0.0000000), wk = 0.0039683 k( 15) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0039683 k( 16) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0039683 k( 17) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0039683 k( 18) = ( 0.2166667 0.0000000 0.0000000), wk = 0.0039683 k( 19) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0039683 k( 20) = ( 0.1833333 0.0000000 0.0000000), wk = 0.0039683 k( 21) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0039683 k( 22) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0039683 k( 23) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0039683 k( 24) = ( 0.1166667 -0.0000000 0.0000000), wk = 0.0039683 k( 25) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0039683 k( 26) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0039683 k( 27) = ( 0.0666667 -0.0000000 0.0000000), wk = 0.0039683 k( 28) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0039683 k( 29) = ( 0.0333333 -0.0000000 0.0000000), wk = 0.0039683 k( 30) = ( 0.0166667 0.0000000 0.0000000), wk = 0.0039683 k( 31) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 33) = ( 0.0000000 0.0161290 -0.0000000), wk = 0.0039683 k( 34) = ( 0.0000000 0.0322581 -0.0000000), wk = 0.0039683 k( 35) = ( 0.0000000 0.0483871 -0.0000000), wk = 0.0039683 k( 36) = ( 0.0000000 0.0645161 -0.0000000), wk = 0.0039683 k( 37) = ( 0.0000000 0.0806452 0.0000000), wk = 0.0039683 k( 38) = ( 0.0000000 0.0967742 0.0000000), wk = 0.0039683 k( 39) = ( 0.0000000 0.1129032 -0.0000000), wk = 0.0039683 k( 40) = ( 0.0000000 0.1290323 -0.0000000), wk = 0.0039683 k( 41) = ( 0.0000000 0.1451613 -0.0000000), wk = 0.0039683 k( 42) = ( 0.0000000 0.1612903 0.0000000), wk = 0.0039683 k( 43) = ( 0.0000000 0.1774194 -0.0000000), wk = 0.0039683 k( 44) = ( 0.0000000 0.1935484 -0.0000000), wk = 0.0039683 k( 45) = ( 0.0000000 0.2096774 -0.0000000), wk = 0.0039683 k( 46) = ( 0.0000000 0.2258064 0.0000000), wk = 0.0039683 k( 47) = ( 0.0000000 0.2419355 -0.0000000), wk = 0.0039683 k( 48) = ( 0.0000000 0.2580645 -0.0000000), wk = 0.0039683 k( 49) = ( 0.0000000 0.2741936 -0.0000000), wk = 0.0039683 k( 50) = ( 0.0000000 0.2903226 -0.0000000), wk = 0.0039683 k( 51) = ( 0.0000000 0.3064516 -0.0000000), wk = 0.0039683 k( 52) = ( 0.0000000 0.3225807 0.0000000), wk = 0.0039683 k( 53) = ( 0.0000000 0.3387097 0.0000000), wk = 0.0039683 k( 54) = ( 0.0000000 0.3548387 -0.0000000), wk = 0.0039683 k( 55) = ( 0.0000000 0.3709677 0.0000000), wk = 0.0039683 k( 56) = ( 0.0000000 0.3870968 -0.0000000), wk = 0.0039683 k( 57) = ( 0.0000000 0.4032258 -0.0000000), wk = 0.0039683 k( 58) = ( 0.0000000 0.4193548 -0.0000000), wk = 0.0039683 k( 59) = ( 0.0000000 0.4354839 0.0000000), wk = 0.0039683 k( 60) = ( 0.0000000 0.4516129 0.0000000), wk = 0.0039683 k( 61) = ( 0.0000000 0.4677419 -0.0000000), wk = 0.0039683 k( 62) = ( 0.0000000 0.4838710 -0.0000000), wk = 0.0039683 k( 63) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039683 k( 64) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039683 k( 65) = ( 0.4868421 0.4868421 -0.0000000), wk = 0.0039683 k( 66) = ( 0.4736842 0.4736842 0.0000000), wk = 0.0039683 k( 67) = ( 0.4605263 0.4605263 -0.0000000), wk = 0.0039683 k( 68) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0039683 k( 69) = ( 0.4342105 0.4342105 0.0000000), wk = 0.0039683 k( 70) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0039683 k( 71) = ( 0.4078947 0.4078947 0.0000000), wk = 0.0039683 k( 72) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0039683 k( 73) = ( 0.3815789 0.3815789 0.0000000), wk = 0.0039683 k( 74) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0039683 k( 75) = ( 0.3552632 0.3552632 -0.0000000), wk = 0.0039683 k( 76) = ( 0.3421053 0.3421053 0.0000000), wk = 0.0039683 k( 77) = ( 0.3289474 0.3289474 0.0000000), wk = 0.0039683 k( 78) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0039683 k( 79) = ( 0.3026316 0.3026316 0.0000000), wk = 0.0039683 k( 80) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0039683 k( 81) = ( 0.2763158 0.2763158 -0.0000000), wk = 0.0039683 k( 82) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0039683 k( 83) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0039683 k( 84) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0039683 k( 85) = ( 0.2236842 0.2236842 -0.0000000), wk = 0.0039683 k( 86) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0039683 k( 87) = ( 0.1973684 0.1973684 -0.0000000), wk = 0.0039683 k( 88) = ( 0.1842105 0.1842105 0.0000000), wk = 0.0039683 k( 89) = ( 0.1710526 0.1710526 0.0000000), wk = 0.0039683 k( 90) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0039683 k( 91) = ( 0.1447368 0.1447368 0.0000000), wk = 0.0039683 k( 92) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0039683 k( 93) = ( 0.1184210 0.1184210 0.0000000), wk = 0.0039683 k( 94) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0039683 k( 95) = ( 0.0921053 0.0921053 -0.0000000), wk = 0.0039683 k( 96) = ( 0.0789474 0.0789474 0.0000000), wk = 0.0039683 k( 97) = ( 0.0657895 0.0657895 0.0000000), wk = 0.0039683 k( 98) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0039683 k( 99) = ( 0.0394737 0.0394737 0.0000000), wk = 0.0039683 k( 100) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0039683 k( 101) = ( 0.0131579 0.0131579 0.0000000), wk = 0.0039683 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 104) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0039683 k( 105) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0039683 k( 106) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0039683 k( 107) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0039683 k( 108) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0039683 k( 109) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0039683 k( 110) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0039683 k( 111) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0039683 k( 112) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0039683 k( 113) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0039683 k( 114) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0039683 k( 115) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0039683 k( 116) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0039683 k( 117) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0039683 k( 118) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0039683 k( 119) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0039683 k( 120) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0039683 k( 121) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0039683 k( 122) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0039683 k( 123) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0039683 k( 124) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0039683 k( 125) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0039683 k( 126) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0039683 k( 127) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0039683 k( 128) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0039683 k( 129) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0039683 k( 130) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0039683 k( 131) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0039683 k( 132) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0039683 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039683 k( 134) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039683 k( 135) = ( 0.4875000 0.0000000 0.4875000), wk = 0.0039683 k( 136) = ( 0.4750000 0.0000000 0.4750000), wk = 0.0039683 k( 137) = ( 0.4625000 -0.0000000 0.4625000), wk = 0.0039683 k( 138) = ( 0.4500000 0.0000000 0.4500000), wk = 0.0039683 k( 139) = ( 0.4375000 0.0000000 0.4375000), wk = 0.0039683 k( 140) = ( 0.4250000 -0.0000000 0.4250000), wk = 0.0039683 k( 141) = ( 0.4125000 0.0000000 0.4125000), wk = 0.0039683 k( 142) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0039683 k( 143) = ( 0.3875000 0.0000000 0.3875000), wk = 0.0039683 k( 144) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0039683 k( 145) = ( 0.3625000 0.0000000 0.3625000), wk = 0.0039683 k( 146) = ( 0.3500000 -0.0000000 0.3500000), wk = 0.0039683 k( 147) = ( 0.3375000 0.0000000 0.3375000), wk = 0.0039683 k( 148) = ( 0.3250000 0.0000000 0.3250000), wk = 0.0039683 k( 149) = ( 0.3125000 0.0000000 0.3125000), wk = 0.0039683 k( 150) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0039683 k( 151) = ( 0.2875000 -0.0000000 0.2875000), wk = 0.0039683 k( 152) = ( 0.2750000 0.0000000 0.2750000), wk = 0.0039683 k( 153) = ( 0.2625000 0.0000000 0.2625000), wk = 0.0039683 k( 154) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0039683 k( 155) = ( 0.2375000 0.0000000 0.2375000), wk = 0.0039683 k( 156) = ( 0.2250000 0.0000000 0.2250000), wk = 0.0039683 k( 157) = ( 0.2125000 -0.0000000 0.2125000), wk = 0.0039683 k( 158) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0039683 k( 159) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0039683 k( 160) = ( 0.1750000 -0.0000000 0.1750000), wk = 0.0039683 k( 161) = ( 0.1625000 0.0000000 0.1625000), wk = 0.0039683 k( 162) = ( 0.1500000 0.0000000 0.1500000), wk = 0.0039683 k( 163) = ( 0.1375000 0.0000000 0.1375000), wk = 0.0039683 k( 164) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0039683 k( 165) = ( 0.1125000 0.0000000 0.1125000), wk = 0.0039683 k( 166) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0039683 k( 167) = ( 0.0875000 -0.0000000 0.0875000), wk = 0.0039683 k( 168) = ( 0.0750000 0.0000000 0.0750000), wk = 0.0039683 k( 169) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0039683 k( 170) = ( 0.0500000 0.0000000 0.0500000), wk = 0.0039683 k( 171) = ( 0.0375000 0.0000000 0.0375000), wk = 0.0039683 k( 172) = ( 0.0250000 0.0000000 0.0250000), wk = 0.0039683 k( 173) = ( 0.0125000 0.0000000 0.0125000), wk = 0.0039683 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 176) = ( 0.0000000 0.0138889 0.0138889), wk = 0.0039683 k( 177) = ( 0.0000000 0.0277778 0.0277778), wk = 0.0039683 k( 178) = ( 0.0000000 0.0416667 0.0416667), wk = 0.0039683 k( 179) = ( 0.0000000 0.0555556 0.0555556), wk = 0.0039683 k( 180) = ( 0.0000000 0.0694444 0.0694444), wk = 0.0039683 k( 181) = ( 0.0000000 0.0833333 0.0833333), wk = 0.0039683 k( 182) = ( 0.0000000 0.0972222 0.0972222), wk = 0.0039683 k( 183) = ( 0.0000000 0.1111111 0.1111111), wk = 0.0039683 k( 184) = ( 0.0000000 0.1250000 0.1250000), wk = 0.0039683 k( 185) = ( 0.0000000 0.1388889 0.1388889), wk = 0.0039683 k( 186) = ( 0.0000000 0.1527778 0.1527778), wk = 0.0039683 k( 187) = ( 0.0000000 0.1666667 0.1666667), wk = 0.0039683 k( 188) = ( 0.0000000 0.1805556 0.1805556), wk = 0.0039683 k( 189) = ( 0.0000000 0.1944444 0.1944444), wk = 0.0039683 k( 190) = ( 0.0000000 0.2083333 0.2083333), wk = 0.0039683 k( 191) = ( 0.0000000 0.2222222 0.2222222), wk = 0.0039683 k( 192) = ( 0.0000000 0.2361111 0.2361111), wk = 0.0039683 k( 193) = ( 0.0000000 0.2500000 0.2500000), wk = 0.0039683 k( 194) = ( 0.0000000 0.2638889 0.2638889), wk = 0.0039683 k( 195) = ( 0.0000000 0.2777778 0.2777778), wk = 0.0039683 k( 196) = ( 0.0000000 0.2916667 0.2916667), wk = 0.0039683 k( 197) = ( 0.0000000 0.3055556 0.3055556), wk = 0.0039683 k( 198) = ( 0.0000000 0.3194444 0.3194444), wk = 0.0039683 k( 199) = ( 0.0000000 0.3333333 0.3333333), wk = 0.0039683 k( 200) = ( 0.0000000 0.3472222 0.3472222), wk = 0.0039683 k( 201) = ( 0.0000000 0.3611111 0.3611111), wk = 0.0039683 k( 202) = ( 0.0000000 0.3750000 0.3750000), wk = 0.0039683 k( 203) = ( 0.0000000 0.3888889 0.3888889), wk = 0.0039683 k( 204) = ( 0.0000000 0.4027778 0.4027778), wk = 0.0039683 k( 205) = ( 0.0000000 0.4166667 0.4166667), wk = 0.0039683 k( 206) = ( 0.0000000 0.4305556 0.4305556), wk = 0.0039683 k( 207) = ( 0.0000000 0.4444444 0.4444444), wk = 0.0039683 k( 208) = ( 0.0000000 0.4583333 0.4583333), wk = 0.0039683 k( 209) = ( 0.0000000 0.4722222 0.4722222), wk = 0.0039683 k( 210) = ( 0.0000000 0.4861111 0.4861111), wk = 0.0039683 k( 211) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039683 k( 212) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039683 k( 213) = ( 0.4875000 0.4875000 0.4875000), wk = 0.0039683 k( 214) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0039683 k( 215) = ( 0.4625000 0.4625000 0.4625000), wk = 0.0039683 k( 216) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0039683 k( 217) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0039683 k( 218) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0039683 k( 219) = ( 0.4125000 0.4125000 0.4125000), wk = 0.0039683 k( 220) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0039683 k( 221) = ( 0.3875000 0.3875000 0.3875000), wk = 0.0039683 k( 222) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0039683 k( 223) = ( 0.3625000 0.3625000 0.3625000), wk = 0.0039683 k( 224) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0039683 k( 225) = ( 0.3375000 0.3375000 0.3375000), wk = 0.0039683 k( 226) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0039683 k( 227) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0039683 k( 228) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0039683 k( 229) = ( 0.2875000 0.2875000 0.2875000), wk = 0.0039683 k( 230) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0039683 k( 231) = ( 0.2625000 0.2625000 0.2625000), wk = 0.0039683 k( 232) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039683 k( 233) = ( 0.2375000 0.2375000 0.2375000), wk = 0.0039683 k( 234) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0039683 k( 235) = ( 0.2125000 0.2125000 0.2125000), wk = 0.0039683 k( 236) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0039683 k( 237) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0039683 k( 238) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0039683 k( 239) = ( 0.1625000 0.1625000 0.1625000), wk = 0.0039683 k( 240) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0039683 k( 241) = ( 0.1375000 0.1375000 0.1375000), wk = 0.0039683 k( 242) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0039683 k( 243) = ( 0.1125000 0.1125000 0.1125000), wk = 0.0039683 k( 244) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0039683 k( 245) = ( 0.0875000 0.0875000 0.0875000), wk = 0.0039683 k( 246) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0039683 k( 247) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0039683 k( 248) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0039683 k( 249) = ( 0.0375000 0.0375000 0.0375000), wk = 0.0039683 k( 250) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0039683 k( 251) = ( 0.0125000 0.0125000 0.0125000), wk = 0.0039683 k( 252) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 Dense grid: 82887 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 45629 G-vectors FFT dimensions: ( 45, 45, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.31 Mb ( 334, 60) NL pseudopotentials 0.69 Mb ( 167, 272) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2302) G-vector shells 0.02 Mb ( 2276) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.22 Mb ( 334, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.50 Mb ( 272, 2, 60) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CaP3.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.4 secs Computing kpt #: 2 total cpu time spent up to now is 5.9 secs Computing kpt #: 3 total cpu time spent up to now is 7.3 secs Computing kpt #: 4 total cpu time spent up to now is 9.0 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 11.4 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 13.8 secs Computing kpt #: 7 total cpu time spent up to now is 16.5 secs Computing kpt #: 8 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 18.9 secs Computing kpt #: 9 total cpu time spent up to now is 21.1 secs Computing kpt #: 10 total cpu time spent up to now is 22.6 secs Computing kpt #: 11 total cpu time spent up to now is 24.1 secs Computing kpt #: 12 total cpu time spent up to now is 25.5 secs Computing kpt #: 13 total cpu time spent up to now is 26.8 secs Computing kpt #: 14 total cpu time spent up to now is 28.0 secs Computing kpt #: 15 total cpu time spent up to now is 29.2 secs Computing kpt #: 16 total cpu time spent up to now is 30.3 secs Computing kpt #: 17 total cpu time spent up to now is 31.5 secs Computing kpt #: 18 total cpu time spent up to now is 32.7 secs Computing kpt #: 19 total cpu time spent up to now is 33.9 secs Computing kpt #: 20 total cpu time spent up to now is 35.1 secs Computing kpt #: 21 total cpu time spent up to now is 36.5 secs Computing kpt #: 22 total cpu time spent up to now is 37.9 secs Computing kpt #: 23 total cpu time spent up to now is 39.2 secs Computing kpt #: 24 total cpu time spent up to now is 41.0 secs Computing kpt #: 25 total cpu time spent up to now is 42.5 secs Computing kpt #: 26 total cpu time spent up to now is 43.8 secs Computing kpt #: 27 total cpu time spent up to now is 45.1 secs Computing kpt #: 28 total cpu time spent up to now is 46.4 secs Computing kpt #: 29 total cpu time spent up to now is 47.6 secs Computing kpt #: 30 total cpu time spent up to now is 48.7 secs Computing kpt #: 31 total cpu time spent up to now is 49.7 secs Computing kpt #: 32 total cpu time spent up to now is 50.8 secs Computing kpt #: 33 total cpu time spent up to now is 51.9 secs Computing kpt #: 34 total cpu time spent up to now is 53.0 secs Computing kpt #: 35 total cpu time spent up to now is 54.1 secs Computing kpt #: 36 total cpu time spent up to now is 55.2 secs Computing kpt #: 37 total cpu time spent up to now is 56.3 secs Computing kpt #: 38 total cpu time spent up to now is 57.4 secs Computing kpt #: 39 total cpu time spent up to now is 58.5 secs Computing kpt #: 40 total cpu time spent up to now is 59.5 secs Computing kpt #: 41 total cpu time spent up to now is 60.6 secs Computing kpt #: 42 total cpu time spent up to now is 61.7 secs Computing kpt #: 43 total cpu time spent up to now is 62.8 secs Computing kpt #: 44 total cpu time spent up to now is 63.8 secs Computing kpt #: 45 total cpu time spent up to now is 64.9 secs Computing kpt #: 46 total cpu time spent up to now is 66.0 secs Computing kpt #: 47 total cpu time spent up to now is 67.2 secs Computing kpt #: 48 total cpu time spent up to now is 68.3 secs Computing kpt #: 49 total cpu time spent up to now is 69.7 secs Computing kpt #: 50 total cpu time spent up to now is 71.0 secs Computing kpt #: 51 total cpu time spent up to now is 72.4 secs Computing kpt #: 52 total cpu time spent up to now is 73.6 secs Computing kpt #: 53 total cpu time spent up to now is 74.8 secs Computing kpt #: 54 total cpu time spent up to now is 76.0 secs Computing kpt #: 55 total cpu time spent up to now is 77.3 secs Computing kpt #: 56 total cpu time spent up to now is 78.6 secs Computing kpt #: 57 total cpu time spent up to now is 79.9 secs Computing kpt #: 58 total cpu time spent up to now is 81.3 secs Computing kpt #: 59 total cpu time spent up to now is 82.6 secs Computing kpt #: 60 total cpu time spent up to now is 83.9 secs Computing kpt #: 61 total cpu time spent up to now is 85.2 secs Computing kpt #: 62 total cpu time spent up to now is 86.6 secs Computing kpt #: 63 total cpu time spent up to now is 87.9 secs Computing kpt #: 64 total cpu time spent up to now is 89.6 secs Computing kpt #: 65 total cpu time spent up to now is 91.3 secs Computing kpt #: 66 total cpu time spent up to now is 93.6 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 96.0 secs Computing kpt #: 68 total cpu time spent up to now is 97.3 secs Computing kpt #: 69 total cpu time spent up to now is 98.6 secs Computing kpt #: 70 total cpu time spent up to now is 99.8 secs Computing kpt #: 71 total cpu time spent up to now is 101.0 secs Computing kpt #: 72 total cpu time spent up to now is 102.4 secs Computing kpt #: 73 total cpu time spent up to now is 103.6 secs Computing kpt #: 74 total cpu time spent up to now is 104.7 secs Computing kpt #: 75 total cpu time spent up to now is 105.9 secs Computing kpt #: 76 total cpu time spent up to now is 107.2 secs Computing kpt #: 77 total cpu time spent up to now is 108.6 secs Computing kpt #: 78 total cpu time spent up to now is 110.1 secs Computing kpt #: 79 total cpu time spent up to now is 111.4 secs Computing kpt #: 80 total cpu time spent up to now is 112.8 secs Computing kpt #: 81 total cpu time spent up to now is 114.2 secs Computing kpt #: 82 total cpu time spent up to now is 115.7 secs Computing kpt #: 83 total cpu time spent up to now is 117.2 secs Computing kpt #: 84 total cpu time spent up to now is 118.7 secs Computing kpt #: 85 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 121.1 secs Computing kpt #: 86 total cpu time spent up to now is 122.8 secs Computing kpt #: 87 total cpu time spent up to now is 124.2 secs Computing kpt #: 88 total cpu time spent up to now is 125.6 secs Computing kpt #: 89 total cpu time spent up to now is 126.9 secs Computing kpt #: 90 total cpu time spent up to now is 128.0 secs Computing kpt #: 91 total cpu time spent up to now is 129.2 secs Computing kpt #: 92 total cpu time spent up to now is 130.5 secs Computing kpt #: 93 total cpu time spent up to now is 131.8 secs Computing kpt #: 94 total cpu time spent up to now is 133.1 secs Computing kpt #: 95 total cpu time spent up to now is 134.5 secs Computing kpt #: 96 total cpu time spent up to now is 135.8 secs Computing kpt #: 97 total cpu time spent up to now is 137.1 secs Computing kpt #: 98 total cpu time spent up to now is 138.4 secs Computing kpt #: 99 total cpu time spent up to now is 139.7 secs Computing kpt #: 100 total cpu time spent up to now is 140.7 secs Computing kpt #: 101 total cpu time spent up to now is 141.9 secs Computing kpt #: 102 total cpu time spent up to now is 142.9 secs Computing kpt #: 103 total cpu time spent up to now is 144.0 secs Computing kpt #: 104 total cpu time spent up to now is 145.1 secs Computing kpt #: 105 total cpu time spent up to now is 146.2 secs Computing kpt #: 106 total cpu time spent up to now is 147.5 secs Computing kpt #: 107 total cpu time spent up to now is 148.8 secs Computing kpt #: 108 total cpu time spent up to now is 150.1 secs Computing kpt #: 109 total cpu time spent up to now is 151.4 secs Computing kpt #: 110 total cpu time spent up to now is 152.7 secs Computing kpt #: 111 total cpu time spent up to now is 154.0 secs Computing kpt #: 112 total cpu time spent up to now is 155.2 secs Computing kpt #: 113 total cpu time spent up to now is 156.3 secs Computing kpt #: 114 total cpu time spent up to now is 157.5 secs Computing kpt #: 115 total cpu time spent up to now is 158.7 secs Computing kpt #: 116 total cpu time spent up to now is 159.9 secs Computing kpt #: 117 total cpu time spent up to now is 161.1 secs Computing kpt #: 118 total cpu time spent up to now is 162.2 secs Computing kpt #: 119 total cpu time spent up to now is 163.4 secs Computing kpt #: 120 total cpu time spent up to now is 164.6 secs Computing kpt #: 121 total cpu time spent up to now is 166.0 secs Computing kpt #: 122 total cpu time spent up to now is 167.2 secs Computing kpt #: 123 total cpu time spent up to now is 168.6 secs Computing kpt #: 124 total cpu time spent up to now is 170.4 secs Computing kpt #: 125 total cpu time spent up to now is 171.9 secs Computing kpt #: 126 total cpu time spent up to now is 173.3 secs Computing kpt #: 127 total cpu time spent up to now is 174.7 secs Computing kpt #: 128 total cpu time spent up to now is 176.0 secs Computing kpt #: 129 total cpu time spent up to now is 177.4 secs Computing kpt #: 130 total cpu time spent up to now is 178.7 secs Computing kpt #: 131 total cpu time spent up to now is 179.9 secs Computing kpt #: 132 total cpu time spent up to now is 181.1 secs Computing kpt #: 133 total cpu time spent up to now is 182.3 secs Computing kpt #: 134 total cpu time spent up to now is 183.3 secs Computing kpt #: 135 total cpu time spent up to now is 184.3 secs Computing kpt #: 136 total cpu time spent up to now is 185.2 secs Computing kpt #: 137 total cpu time spent up to now is 186.2 secs Computing kpt #: 138 total cpu time spent up to now is 187.2 secs Computing kpt #: 139 total cpu time spent up to now is 188.2 secs Computing kpt #: 140 total cpu time spent up to now is 189.1 secs Computing kpt #: 141 total cpu time spent up to now is 190.2 secs Computing kpt #: 142 total cpu time spent up to now is 191.2 secs Computing kpt #: 143 total cpu time spent up to now is 192.2 secs Computing kpt #: 144 total cpu time spent up to now is 193.3 secs Computing kpt #: 145 total cpu time spent up to now is 194.6 secs Computing kpt #: 146 total cpu time spent up to now is 195.8 secs Computing kpt #: 147 total cpu time spent up to now is 197.1 secs Computing kpt #: 148 total cpu time spent up to now is 198.4 secs Computing kpt #: 149 total cpu time spent up to now is 199.7 secs Computing kpt #: 150 total cpu time spent up to now is 200.8 secs Computing kpt #: 151 total cpu time spent up to now is 201.9 secs Computing kpt #: 152 total cpu time spent up to now is 203.1 secs Computing kpt #: 153 total cpu time spent up to now is 204.2 secs Computing kpt #: 154 total cpu time spent up to now is 205.3 secs Computing kpt #: 155 total cpu time spent up to now is 206.4 secs Computing kpt #: 156 total cpu time spent up to now is 207.5 secs Computing kpt #: 157 total cpu time spent up to now is 208.6 secs Computing kpt #: 158 total cpu time spent up to now is 209.7 secs Computing kpt #: 159 total cpu time spent up to now is 210.8 secs Computing kpt #: 160 total cpu time spent up to now is 212.0 secs Computing kpt #: 161 total cpu time spent up to now is 213.2 secs Computing kpt #: 162 total cpu time spent up to now is 214.5 secs Computing kpt #: 163 total cpu time spent up to now is 215.8 secs Computing kpt #: 164 total cpu time spent up to now is 217.0 secs Computing kpt #: 165 total cpu time spent up to now is 218.4 secs Computing kpt #: 166 total cpu time spent up to now is 220.0 secs Computing kpt #: 167 total cpu time spent up to now is 221.6 secs Computing kpt #: 168 total cpu time spent up to now is 223.1 secs Computing kpt #: 169 total cpu time spent up to now is 224.4 secs Computing kpt #: 170 total cpu time spent up to now is 225.7 secs Computing kpt #: 171 total cpu time spent up to now is 226.8 secs Computing kpt #: 172 total cpu time spent up to now is 227.9 secs Computing kpt #: 173 total cpu time spent up to now is 228.9 secs Computing kpt #: 174 total cpu time spent up to now is 230.0 secs Computing kpt #: 175 total cpu time spent up to now is 231.1 secs Computing kpt #: 176 total cpu time spent up to now is 232.1 secs Computing kpt #: 177 total cpu time spent up to now is 233.3 secs Computing kpt #: 178 total cpu time spent up to now is 234.4 secs Computing kpt #: 179 total cpu time spent up to now is 235.6 secs Computing kpt #: 180 total cpu time spent up to now is 236.7 secs Computing kpt #: 181 total cpu time spent up to now is 237.9 secs Computing kpt #: 182 total cpu time spent up to now is 239.1 secs Computing kpt #: 183 total cpu time spent up to now is 240.4 secs Computing kpt #: 184 total cpu time spent up to now is 241.8 secs Computing kpt #: 185 total cpu time spent up to now is 243.2 secs Computing kpt #: 186 total cpu time spent up to now is 244.6 secs Computing kpt #: 187 total cpu time spent up to now is 246.2 secs Computing kpt #: 188 total cpu time spent up to now is 247.8 secs Computing kpt #: 189 total cpu time spent up to now is 249.4 secs Computing kpt #: 190 total cpu time spent up to now is 251.1 secs Computing kpt #: 191 total cpu time spent up to now is 252.8 secs Computing kpt #: 192 total cpu time spent up to now is 254.5 secs Computing kpt #: 193 total cpu time spent up to now is 256.5 secs Computing kpt #: 194 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 258.9 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 261.2 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 263.6 secs Computing kpt #: 197 total cpu time spent up to now is 265.9 secs Computing kpt #: 198 total cpu time spent up to now is 267.8 secs Computing kpt #: 199 total cpu time spent up to now is 269.2 secs Computing kpt #: 200 total cpu time spent up to now is 270.6 secs Computing kpt #: 201 total cpu time spent up to now is 271.8 secs Computing kpt #: 202 total cpu time spent up to now is 273.1 secs Computing kpt #: 203 total cpu time spent up to now is 274.3 secs Computing kpt #: 204 total cpu time spent up to now is 275.7 secs Computing kpt #: 205 total cpu time spent up to now is 277.0 secs Computing kpt #: 206 total cpu time spent up to now is 278.3 secs Computing kpt #: 207 total cpu time spent up to now is 279.7 secs Computing kpt #: 208 total cpu time spent up to now is 281.1 secs Computing kpt #: 209 total cpu time spent up to now is 282.4 secs Computing kpt #: 210 total cpu time spent up to now is 283.8 secs Computing kpt #: 211 total cpu time spent up to now is 285.1 secs Computing kpt #: 212 total cpu time spent up to now is 286.7 secs Computing kpt #: 213 total cpu time spent up to now is 288.2 secs Computing kpt #: 214 total cpu time spent up to now is 289.9 secs Computing kpt #: 215 total cpu time spent up to now is 291.5 secs Computing kpt #: 216 total cpu time spent up to now is 293.0 secs Computing kpt #: 217 total cpu time spent up to now is 294.3 secs Computing kpt #: 218 total cpu time spent up to now is 295.6 secs Computing kpt #: 219 total cpu time spent up to now is 296.8 secs Computing kpt #: 220 total cpu time spent up to now is 297.9 secs Computing kpt #: 221 total cpu time spent up to now is 299.0 secs Computing kpt #: 222 total cpu time spent up to now is 300.1 secs Computing kpt #: 223 total cpu time spent up to now is 301.2 secs Computing kpt #: 224 total cpu time spent up to now is 302.3 secs Computing kpt #: 225 total cpu time spent up to now is 303.4 secs Computing kpt #: 226 total cpu time spent up to now is 304.5 secs Computing kpt #: 227 total cpu time spent up to now is 305.6 secs Computing kpt #: 228 total cpu time spent up to now is 306.7 secs Computing kpt #: 229 total cpu time spent up to now is 307.8 secs Computing kpt #: 230 total cpu time spent up to now is 309.1 secs Computing kpt #: 231 total cpu time spent up to now is 310.3 secs Computing kpt #: 232 total cpu time spent up to now is 311.6 secs Computing kpt #: 233 total cpu time spent up to now is 312.9 secs Computing kpt #: 234 total cpu time spent up to now is 314.2 secs Computing kpt #: 235 total cpu time spent up to now is 315.6 secs Computing kpt #: 236 total cpu time spent up to now is 316.9 secs Computing kpt #: 237 total cpu time spent up to now is 318.5 secs Computing kpt #: 238 total cpu time spent up to now is 320.8 secs Computing kpt #: 239 total cpu time spent up to now is 322.7 secs Computing kpt #: 240 total cpu time spent up to now is 324.1 secs Computing kpt #: 241 total cpu time spent up to now is 325.5 secs Computing kpt #: 242 total cpu time spent up to now is 326.8 secs Computing kpt #: 243 total cpu time spent up to now is 328.1 secs Computing kpt #: 244 total cpu time spent up to now is 329.5 secs Computing kpt #: 245 total cpu time spent up to now is 330.8 secs Computing kpt #: 246 total cpu time spent up to now is 332.1 secs Computing kpt #: 247 total cpu time spent up to now is 333.4 secs Computing kpt #: 248 total cpu time spent up to now is 334.6 secs Computing kpt #: 249 total cpu time spent up to now is 335.8 secs Computing kpt #: 250 total cpu time spent up to now is 337.0 secs Computing kpt #: 251 total cpu time spent up to now is 338.1 secs Computing kpt #: 252 total cpu time spent up to now is 339.2 secs ethr = 2.00E-08, avg # of iterations = 46.0 total cpu time spent up to now is 339.2 secs End of band structure calculation k = 0.5000-0.1360-0.0531 ( 5720 PWs) bands (ev): -32.6247 -32.6247 -32.6185 -32.6185 -13.9355 -13.9355 -13.9127 -13.9127 -13.5819 -13.5819 -13.5610 -13.5610 -13.5226 -13.5226 -13.5029 -13.5029 -6.0782 -6.0782 -4.5334 -4.5334 -2.8467 -2.8467 -2.5940 -2.5940 -0.2854 -0.2854 0.8691 0.8691 2.5033 2.5033 2.6513 2.6513 3.9603 3.9603 4.3675 4.3675 4.6280 4.6280 4.7783 4.7783 5.0999 5.0999 5.4856 5.4856 5.9701 5.9701 7.2679 7.2679 7.6986 7.6986 10.0216 10.0216 10.0588 10.0588 10.2548 10.2548 10.7983 10.7983 11.0244 11.0244 k = 0.4833-0.1315-0.0514 ( 5712 PWs) bands (ev): -32.6247 -32.6247 -32.6185 -32.6185 -13.9355 -13.9355 -13.9126 -13.9126 -13.5819 -13.5819 -13.5610 -13.5610 -13.5226 -13.5226 -13.5028 -13.5028 -6.0798 -6.0798 -4.5307 -4.5307 -2.8474 -2.8474 -2.5932 -2.5932 -0.2884 -0.2884 0.8711 0.8711 2.5023 2.5023 2.6510 2.6510 3.9596 3.9596 4.3668 4.3668 4.6179 4.6179 4.7812 4.7812 5.1045 5.1045 5.4926 5.4926 5.9700 5.9700 7.2684 7.2684 7.6974 7.6974 10.0092 10.0092 10.0548 10.0548 10.2818 10.2818 10.7703 10.7703 11.0512 11.0512 k = 0.4667-0.1270-0.0496 ( 5709 PWs) bands (ev): -32.6248 -32.6248 -32.6185 -32.6185 -13.9356 -13.9356 -13.9124 -13.9124 -13.5821 -13.5821 -13.5608 -13.5608 -13.5227 -13.5227 -13.5027 -13.5027 -6.0844 -6.0844 -4.5224 -4.5224 -2.8496 -2.8496 -2.5908 -2.5908 -0.2974 -0.2974 0.8770 0.8770 2.4990 2.4990 2.6504 2.6504 3.9571 3.9571 4.3647 4.3647 4.5911 4.5911 4.7881 4.7881 5.1180 5.1180 5.5123 5.5123 5.9702 5.9702 7.2696 7.2696 7.6935 7.6935 9.9754 9.9754 10.0567 10.0567 10.3449 10.3449 10.7092 10.7092 11.1093 11.1093 k = 0.4500-0.1224-0.0478 ( 5706 PWs) bands (ev): -32.6248 -32.6248 -32.6184 -32.6184 -13.9358 -13.9358 -13.9121 -13.9121 -13.5823 -13.5823 -13.5605 -13.5605 -13.5228 -13.5228 -13.5026 -13.5026 -6.0919 -6.0919 -4.5088 -4.5088 -2.8532 -2.8532 -2.5869 -2.5869 -0.3123 -0.3123 0.8866 0.8866 2.4936 2.4936 2.6493 2.6493 3.9523 3.9523 4.3610 4.3610 4.5537 4.5537 4.7960 4.7960 5.1398 5.1398 5.5411 5.5411 5.9719 5.9719 7.2715 7.2715 7.6872 7.6872 9.9376 9.9376 10.0659 10.0659 10.4211 10.4211 10.6410 10.6410 11.1755 11.1755 k = 0.4333-0.1179-0.0460 ( 5712 PWs) bands (ev): -32.6249 -32.6249 -32.6183 -32.6183 -13.9361 -13.9361 -13.9117 -13.9117 -13.5826 -13.5826 -13.5601 -13.5601 -13.5229 -13.5229 -13.5025 -13.5025 -6.1021 -6.1021 -4.4900 -4.4900 -2.8582 -2.8582 -2.5814 -2.5814 -0.3327 -0.3327 0.8998 0.8998 2.4859 2.4859 2.6483 2.6483 3.9443 3.9443 4.3555 4.3555 4.5113 4.5113 4.8043 4.8043 5.1692 5.1692 5.5741 5.5741 5.9772 5.9772 7.2739 7.2739 7.6785 7.6785 9.9052 9.9052 10.0798 10.0798 10.4777 10.4777 10.5990 10.5990 11.2402 11.2403 k = 0.4167-0.1134-0.0443 ( 5713 PWs) bands (ev): -32.6250 -32.6250 -32.6182 -32.6182 -13.9364 -13.9364 -13.9112 -13.9112 -13.5829 -13.5829 -13.5596 -13.5596 -13.5231 -13.5231 -13.5023 -13.5023 -6.1147 -6.1147 -4.4665 -4.4665 -2.8644 -2.8644 -2.5745 -2.5745 -0.3584 -0.3584 0.9162 0.9162 2.4759 2.4759 2.6474 2.6474 3.9320 3.9320 4.3477 4.3477 4.4681 4.4681 4.8138 4.8138 5.2049 5.2049 5.6058 5.6058 5.9889 5.9889 7.2768 7.2768 7.6676 7.6676 9.8811 9.8811 10.0975 10.0975 10.4449 10.4449 10.6526 10.6526 11.2894 11.2897 k = 0.4000-0.1088-0.0425 ( 5705 PWs) bands (ev): -32.6251 -32.6251 -32.6181 -32.6181 -13.9368 -13.9368 -13.9107 -13.9107 -13.5834 -13.5834 -13.5591 -13.5591 -13.5233 -13.5233 -13.5021 -13.5021 -6.1295 -6.1295 -4.4384 -4.4384 -2.8718 -2.8718 -2.5661 -2.5661 -0.3890 -0.3890 0.9355 0.9355 2.4636 2.4636 2.6469 2.6469 3.9144 3.9144 4.3368 4.3368 4.4276 4.4276 4.8257 4.8257 5.2460 5.2460 5.6312 5.6312 6.0099 6.0099 7.2799 7.2799 7.6549 7.6549 9.8653 9.8653 10.1180 10.1180 10.3783 10.3783 10.7462 10.7462 11.2846 11.2846 k = 0.3833-0.1043-0.0407 ( 5708 PWs) bands (ev): -32.6252 -32.6252 -32.6180 -32.6180 -13.9372 -13.9372 -13.9100 -13.9100 -13.5838 -13.5838 -13.5584 -13.5584 -13.5236 -13.5236 -13.5018 -13.5018 -6.1461 -6.1461 -4.4063 -4.4063 -2.8803 -2.8803 -2.5564 -2.5564 -0.4241 -0.4241 0.9574 0.9574 2.4489 2.4489 2.6473 2.6473 3.8905 3.8905 4.3219 4.3219 4.3930 4.3930 4.8411 4.8411 5.2914 5.2914 5.6475 5.6475 6.0412 6.0412 7.2835 7.2835 7.6407 7.6407 9.8557 9.8557 10.1404 10.1404 10.3126 10.3126 10.8448 10.8448 11.2651 11.2651 k = 0.3667-0.0998-0.0390 ( 5709 PWs) bands (ev): -32.6253 -32.6253 -32.6179 -32.6179 -13.9376 -13.9376 -13.9093 -13.9093 -13.5843 -13.5843 -13.5577 -13.5577 -13.5239 -13.5239 -13.5015 -13.5015 -6.1642 -6.1642 -4.3706 -4.3706 -2.8898 -2.8898 -2.5452 -2.5452 -0.4634 -0.4634 0.9814 0.9814 2.4320 2.4320 2.6488 2.6488 3.8599 3.8599 4.3026 4.3026 4.3654 4.3654 4.8609 4.8609 5.3401 5.3401 5.6549 5.6549 6.0816 6.0816 7.2877 7.2877 7.6259 7.6259 9.8475 9.8475 10.1634 10.1634 10.2575 10.2575 10.9370 10.9370 11.2126 11.2126 k = 0.3500-0.0952-0.0372 ( 5705 PWs) bands (ev): -32.6255 -32.6255 -32.6178 -32.6178 -13.9381 -13.9381 -13.9086 -13.9086 -13.5848 -13.5848 -13.5570 -13.5570 -13.5242 -13.5242 -13.5012 -13.5012 -6.1834 -6.1834 -4.3316 -4.3316 -2.9003 -2.9003 -2.5327 -2.5327 -0.5065 -0.5065 1.0073 1.0073 2.4129 2.4129 2.6516 2.6516 3.8232 3.8232 4.2806 4.2806 4.3432 4.3432 4.8855 4.8855 5.3905 5.3905 5.6561 5.6561 6.1280 6.1280 7.2928 7.2928 7.6112 7.6112 9.8332 9.8332 10.1835 10.1835 10.2231 10.2231 11.0014 11.0014 11.1513 11.1513 k = 0.3333-0.0907-0.0354 ( 5706 PWs) bands (ev): -32.6256 -32.6256 -32.6176 -32.6176 -13.9385 -13.9385 -13.9078 -13.9078 -13.5854 -13.5854 -13.5562 -13.5562 -13.5245 -13.5245 -13.5008 -13.5008 -6.2035 -6.2035 -4.2897 -4.2897 -2.9117 -2.9117 -2.5187 -2.5187 -0.5530 -0.5530 1.0348 1.0348 2.3915 2.3915 2.6559 2.6559 3.7815 3.7815 4.2584 4.2584 4.3231 4.3231 4.9151 4.9151 5.4404 5.4404 5.6554 5.6554 6.1767 6.1767 7.2992 7.2992 7.5977 7.5977 9.8053 9.8053 10.1903 10.1903 10.2244 10.2244 10.9955 10.9955 11.1201 11.1201 k = 0.3167-0.0862-0.0336 ( 5703 PWs) bands (ev): -32.6258 -32.6258 -32.6175 -32.6175 -13.9390 -13.9390 -13.9071 -13.9071 -13.5859 -13.5859 -13.5554 -13.5554 -13.5249 -13.5249 -13.5004 -13.5004 -6.2240 -6.2240 -4.2454 -4.2454 -2.9239 -2.9239 -2.5032 -2.5032 -0.6026 -0.6026 1.0636 1.0636 2.3682 2.3682 2.6621 2.6621 3.7363 3.7363 4.2373 4.2373 4.3030 4.3030 4.9495 4.9495 5.4851 5.4851 5.6592 5.6592 6.2245 6.2245 7.3070 7.3070 7.5867 7.5867 9.7614 9.7614 10.1934 10.1934 10.2501 10.2501 10.9404 10.9404 11.0997 11.0997 k = 0.3000-0.0816-0.0319 ( 5705 PWs) bands (ev): -32.6259 -32.6259 -32.6173 -32.6173 -13.9395 -13.9395 -13.9063 -13.9063 -13.5864 -13.5864 -13.5545 -13.5545 -13.5253 -13.5253 -13.5000 -13.5000 -6.2448 -6.2448 -4.1992 -4.1992 -2.9370 -2.9370 -2.4862 -2.4862 -0.6550 -0.6550 1.0935 1.0935 2.3428 2.3428 2.6702 2.6702 3.6890 3.6890 4.2173 4.2173 4.2815 4.2815 4.9884 4.9884 5.5166 5.5166 5.6767 5.6767 6.2691 6.2691 7.3161 7.3161 7.5798 7.5798 9.7054 9.7054 10.1916 10.1916 10.2916 10.2916 10.8831 10.8831 11.0693 11.0693 k = 0.2833-0.0771-0.0301 ( 5709 PWs) bands (ev): -32.6261 -32.6261 -32.6172 -32.6172 -13.9399 -13.9399 -13.9055 -13.9055 -13.5870 -13.5870 -13.5537 -13.5537 -13.5258 -13.5258 -13.4996 -13.4996 -6.2657 -6.2657 -4.1512 -4.1512 -2.9509 -2.9509 -2.4676 -2.4676 -0.7099 -0.7099 1.1243 1.1243 2.3156 2.3156 2.6804 2.6804 3.6412 3.6412 4.1983 4.1983 4.2580 4.2580 5.0311 5.0311 5.5301 5.5301 5.7138 5.7138 6.3085 6.3085 7.3255 7.3255 7.5791 7.5791 9.6422 9.6422 10.1734 10.1734 10.3493 10.3493 10.8389 10.8389 11.0322 11.0322 k = 0.2667-0.0726-0.0283 ( 5707 PWs) bands (ev): -32.6262 -32.6262 -32.6170 -32.6170 -13.9404 -13.9404 -13.9047 -13.9047 -13.5875 -13.5875 -13.5528 -13.5528 -13.5263 -13.5263 -13.4992 -13.4992 -6.2863 -6.2863 -4.1021 -4.1021 -2.9655 -2.9655 -2.4472 -2.4472 -0.7671 -0.7671 1.1558 1.1558 2.2866 2.2866 2.6929 2.6929 3.5940 3.5940 4.1797 4.1797 4.2322 4.2322 5.0768 5.0768 5.5310 5.5310 5.7658 5.7658 6.3419 6.3419 7.3337 7.3337 7.5868 7.5868 9.5755 9.5755 10.1348 10.1348 10.4190 10.4190 10.8128 10.8128 10.9923 10.9923 k = 0.2500-0.0680-0.0266 ( 5710 PWs) bands (ev): -32.6264 -32.6264 -32.6169 -32.6169 -13.9408 -13.9408 -13.9039 -13.9039 -13.5880 -13.5880 -13.5518 -13.5518 -13.5268 -13.5268 -13.4988 -13.4988 -6.3064 -6.3064 -4.0520 -4.0520 -2.9809 -2.9809 -2.4250 -2.4250 -0.8263 -0.8263 1.1879 1.1879 2.2560 2.2560 2.7078 2.7078 3.5483 3.5483 4.1613 4.1613 4.2040 4.2040 5.1243 5.1243 5.5268 5.5268 5.8256 5.8256 6.3687 6.3687 7.3392 7.3392 7.6048 7.6048 9.5074 9.5074 10.0770 10.0770 10.4948 10.4948 10.8033 10.8033 10.9550 10.9550 k = 0.2333-0.0635-0.0248 ( 5699 PWs) bands (ev): -32.6265 -32.6265 -32.6167 -32.6167 -13.9412 -13.9412 -13.9031 -13.9031 -13.5885 -13.5885 -13.5509 -13.5509 -13.5273 -13.5273 -13.4984 -13.4984 -6.3260 -6.3260 -4.0014 -4.0014 -2.9971 -2.9971 -2.4009 -2.4009 -0.8873 -0.8873 1.2203 1.2203 2.2238 2.2238 2.7250 2.7250 3.5048 3.5048 4.1424 4.1424 4.1740 4.1740 5.1722 5.1722 5.5227 5.5227 5.8890 5.8890 6.3892 6.3892 7.3410 7.3410 7.6335 7.6335 9.4395 9.4395 10.0048 10.0048 10.5677 10.5677 10.8040 10.8040 10.9303 10.9303 k = 0.2167-0.0589-0.0230 ( 5703 PWs) bands (ev): -32.6266 -32.6266 -32.6166 -32.6166 -13.9416 -13.9416 -13.9024 -13.9024 -13.5890 -13.5890 -13.5500 -13.5500 -13.5279 -13.5279 -13.4979 -13.4979 -6.3448 -6.3448 -3.9506 -3.9506 -3.0141 -3.0141 -2.3747 -2.3747 -0.9497 -0.9497 1.2532 1.2532 2.1903 2.1903 2.7447 2.7447 3.4639 3.4639 4.1211 4.1211 4.1442 4.1442 5.2183 5.2183 5.5219 5.5219 5.9540 5.9540 6.4040 6.4040 7.3394 7.3394 7.6721 7.6721 9.3725 9.3725 9.9232 9.9232 10.6199 10.6199 10.8116 10.8116 10.9332 10.9332 k = 0.2000-0.0544-0.0212 ( 5698 PWs) bands (ev): -32.6268 -32.6268 -32.6165 -32.6165 -13.9420 -13.9420 -13.9017 -13.9017 -13.5894 -13.5894 -13.5490 -13.5490 -13.5285 -13.5285 -13.4975 -13.4975 -6.3627 -6.3627 -3.8999 -3.8999 -3.0319 -3.0319 -2.3463 -2.3463 -1.0134 -1.0134 1.2862 1.2862 2.1555 2.1555 2.7667 2.7667 3.4262 3.4262 4.0923 4.0923 4.1197 4.1197 5.2596 5.2596 5.5276 5.5276 6.0191 6.0191 6.4140 6.4140 7.3350 7.3350 7.7186 7.7186 9.3070 9.3070 9.8369 9.8369 10.6277 10.6277 10.8373 10.8373 10.9717 10.9717 k = 0.1833-0.0499-0.0195 ( 5704 PWs) bands (ev): -32.6269 -32.6269 -32.6164 -32.6164 -13.9423 -13.9423 -13.9010 -13.9010 -13.5899 -13.5899 -13.5481 -13.5481 -13.5291 -13.5291 -13.4971 -13.4971 -6.3795 -6.3795 -3.8497 -3.8497 -3.0504 -3.0504 -2.3157 -2.3157 -1.0780 -1.0780 1.3195 1.3195 2.1197 2.1197 2.7910 2.7910 3.3918 3.3918 4.0562 4.0562 4.1009 4.1009 5.2930 5.2930 5.5429 5.5429 6.0831 6.0831 6.4202 6.4202 7.3289 7.3289 7.7707 7.7707 9.2437 9.2437 9.7491 9.7491 10.5972 10.5972 10.8752 10.8752 11.0409 11.0409 k = 0.1667-0.0453-0.0177 ( 5708 PWs) bands (ev): -32.6270 -32.6270 -32.6163 -32.6163 -13.9426 -13.9426 -13.9004 -13.9004 -13.5903 -13.5903 -13.5472 -13.5472 -13.5298 -13.5298 -13.4968 -13.4968 -6.3952 -6.3952 -3.8003 -3.8003 -3.0698 -3.0698 -2.2827 -2.2827 -1.1434 -1.1434 1.3530 1.3530 2.0829 2.0829 2.8172 2.8172 3.3608 3.3608 4.0163 4.0163 4.0845 4.0845 5.3162 5.3162 5.5693 5.5693 6.1452 6.1452 6.4236 6.4236 7.3218 7.3218 7.8263 7.8263 9.1829 9.1829 9.6624 9.6624 10.5499 10.5499 10.9122 10.9122 11.1295 11.1295 k = 0.1500-0.0408-0.0159 ( 5707 PWs) bands (ev): -32.6271 -32.6271 -32.6162 -32.6162 -13.9429 -13.9429 -13.8998 -13.8998 -13.5906 -13.5906 -13.5462 -13.5462 -13.5305 -13.5305 -13.4964 -13.4964 -6.4097 -6.4097 -3.7520 -3.7520 -3.0899 -3.0899 -2.2473 -2.2473 -1.2093 -1.2093 1.3867 1.3867 2.0454 2.0454 2.8451 2.8451 3.3335 3.3335 3.9744 3.9744 4.0695 4.0695 5.3300 5.3300 5.6055 5.6055 6.2043 6.2043 6.4252 6.4252 7.3143 7.3143 7.8833 7.8833 9.1253 9.1253 9.5786 9.5786 10.4963 10.4963 10.9457 10.9457 11.2259 11.2259 k = 0.1333-0.0363-0.0142 ( 5709 PWs) bands (ev): -32.6272 -32.6272 -32.6161 -32.6161 -13.9432 -13.9432 -13.8993 -13.8993 -13.5910 -13.5910 -13.5453 -13.5453 -13.5312 -13.5312 -13.4961 -13.4961 -6.4228 -6.4228 -3.7051 -3.7051 -3.1107 -3.1107 -2.2095 -2.2095 -1.2753 -1.2753 1.4205 1.4205 2.0075 2.0075 2.8742 2.8742 3.3099 3.3099 3.9314 3.9314 4.0558 4.0558 5.3368 5.3368 5.6481 5.6481 6.2592 6.2592 6.4261 6.4261 7.3068 7.3068 7.9400 7.9400 9.0715 9.0715 9.4992 9.4992 10.4412 10.4412 10.9756 10.9756 11.3199 11.3199 k = 0.1167-0.0317-0.0124 ( 5710 PWs) bands (ev): -32.6273 -32.6273 -32.6160 -32.6160 -13.9434 -13.9434 -13.8988 -13.8988 -13.5913 -13.5913 -13.5444 -13.5444 -13.5319 -13.5319 -13.4958 -13.4958 -6.4346 -6.4346 -3.6599 -3.6599 -3.1323 -3.1323 -2.1692 -2.1692 -1.3412 -1.3412 1.4546 1.4546 1.9691 1.9691 2.9038 2.9038 3.2902 3.2902 3.8880 3.8880 4.0433 4.0433 5.3396 5.3396 5.6932 5.6932 6.3083 6.3083 6.4274 6.4274 7.2996 7.2996 7.9947 7.9947 9.0223 9.0223 9.4254 9.4254 10.3871 10.3871 11.0019 11.0019 11.3941 11.3941 k = 0.1000-0.0272-0.0106 ( 5707 PWs) bands (ev): -32.6274 -32.6274 -32.6159 -32.6159 -13.9436 -13.9436 -13.8984 -13.8984 -13.5915 -13.5915 -13.5434 -13.5434 -13.5327 -13.5327 -13.4955 -13.4955 -6.4448 -6.4448 -3.6168 -3.6168 -3.1543 -3.1543 -2.1266 -2.1266 -1.4066 -1.4066 1.4889 1.4889 1.9306 1.9306 2.9331 2.9331 3.2743 3.2743 3.8452 3.8452 4.0323 4.0323 5.3400 5.3400 5.7379 5.7379 6.3489 6.3489 6.4315 6.4315 7.2929 7.2929 8.0459 8.0459 8.9783 8.9783 9.3584 9.3584 10.3360 10.3360 11.0245 11.0245 11.4227 11.4227 k = 0.0833-0.0227-0.0089 ( 5712 PWs) bands (ev): -32.6274 -32.6274 -32.6159 -32.6159 -13.9438 -13.9438 -13.8980 -13.8980 -13.5918 -13.5918 -13.5425 -13.5425 -13.5335 -13.5335 -13.4953 -13.4953 -6.4536 -6.4536 -3.5763 -3.5763 -3.1768 -3.1768 -2.0818 -2.0818 -1.4711 -1.4711 1.5236 1.5236 1.8920 1.8920 2.9611 2.9611 3.2623 3.2623 3.8042 3.8042 4.0227 4.0227 5.3394 5.3394 5.7798 5.7798 6.3764 6.3764 6.4427 6.4427 7.2869 7.2869 8.0920 8.0920 8.9404 8.9404 9.2990 9.2990 10.2893 10.2893 11.0432 11.0432 11.4211 11.4211 k = 0.0667-0.0181-0.0071 ( 5712 PWs) bands (ev): -32.6275 -32.6275 -32.6158 -32.6158 -13.9439 -13.9439 -13.8977 -13.8977 -13.5919 -13.5919 -13.5416 -13.5416 -13.5342 -13.5342 -13.4951 -13.4951 -6.4609 -6.4609 -3.5389 -3.5389 -3.1991 -3.1991 -2.0354 -2.0354 -1.5339 -1.5339 1.5585 1.5585 1.8536 1.8536 2.9863 2.9863 3.2543 3.2543 3.7664 3.7664 4.0147 4.0147 5.3384 5.3384 5.8170 5.8170 6.3892 6.3892 6.4620 6.4620 7.2819 7.2819 8.1316 8.1316 8.9094 8.9094 9.2483 9.2483 10.2486 10.2486 11.0581 11.0581 11.4130 11.4130 k = 0.0500-0.0136-0.0053 ( 5713 PWs) bands (ev): -32.6275 -32.6275 -32.6158 -32.6158 -13.9440 -13.9440 -13.8975 -13.8975 -13.5921 -13.5921 -13.5407 -13.5407 -13.5350 -13.5350 -13.4949 -13.4949 -6.4666 -6.4666 -3.5057 -3.5057 -3.2204 -3.2204 -1.9880 -1.9880 -1.5942 -1.5942 1.5938 1.5938 1.8154 1.8154 3.0075 3.0075 3.2499 3.2499 3.7335 3.7335 4.0084 4.0084 5.3373 5.3373 5.8479 5.8479 6.3936 6.3936 6.4829 6.4829 7.2779 7.2779 8.1636 8.1636 8.8855 8.8855 9.2071 9.2071 10.2153 10.2153 11.0694 11.0694 11.4053 11.4053 k = 0.0333-0.0091-0.0035 ( 5716 PWs) bands (ev): -32.6276 -32.6276 -32.6157 -32.6157 -13.9441 -13.9441 -13.8973 -13.8973 -13.5922 -13.5922 -13.5399 -13.5399 -13.5358 -13.5358 -13.4948 -13.4948 -6.4706 -6.4706 -3.4783 -3.4783 -3.2393 -3.2393 -1.9418 -1.9418 -1.6498 -1.6498 1.6295 1.6295 1.7776 1.7776 3.0234 3.0234 3.2483 3.2483 3.7077 3.7077 4.0038 4.0038 5.3365 5.3365 5.8710 5.8710 6.3949 6.3949 6.4998 6.4998 7.2750 7.2750 8.1870 8.1870 8.8689 8.8689 9.1767 9.1767 10.1905 10.1905 11.0774 11.0774 11.3995 11.3995 k = 0.0167-0.0045-0.0018 ( 5714 PWs) bands (ev): -32.6276 -32.6276 -32.6157 -32.6157 -13.9442 -13.9442 -13.8972 -13.8972 -13.5922 -13.5922 -13.5392 -13.5392 -13.5364 -13.5364 -13.4948 -13.4948 -6.4731 -6.4731 -3.4594 -3.4594 -3.2530 -3.2530 -1.9023 -1.9023 -1.6949 -1.6949 1.6654 1.6654 1.7403 1.7403 3.0332 3.0332 3.2483 3.2483 3.6910 3.6910 4.0011 4.0011 5.3359 5.3359 5.8853 5.8853 6.3952 6.3952 6.5105 6.5105 7.2733 7.2733 8.2013 8.2013 8.8592 8.8592 9.1579 9.1579 10.1752 10.1752 11.0820 11.0820 11.3960 11.3960 k = 0.0000 0.0000 0.0000 ( 5711 PWs) bands (ev): -32.6276 -32.6276 -32.6157 -32.6157 -13.9442 -13.9442 -13.8972 -13.8972 -13.5922 -13.5922 -13.5388 -13.5388 -13.5368 -13.5368 -13.4947 -13.4947 -6.4739 -6.4739 -3.4525 -3.4525 -3.2581 -3.2581 -1.8845 -1.8845 -1.7146 -1.7146 1.6961 1.6961 1.7092 1.7092 3.0364 3.0364 3.2485 3.2485 3.6852 3.6852 4.0002 4.0002 5.3357 5.3357 5.8901 5.8901 6.3953 6.3953 6.5141 6.5141 7.2727 7.2727 8.2061 8.2061 8.8560 8.8560 9.1515 9.1515 10.1700 10.1700 11.0836 11.0836 11.3948 11.3948 k = 0.0000 0.0000 0.0000 ( 5711 PWs) bands (ev): -32.6276 -32.6276 -32.6157 -32.6157 -13.9442 -13.9442 -13.8972 -13.8972 -13.5922 -13.5922 -13.5388 -13.5388 -13.5368 -13.5368 -13.4947 -13.4947 -6.4739 -6.4739 -3.4525 -3.4525 -3.2581 -3.2581 -1.8845 -1.8845 -1.7146 -1.7146 1.6961 1.6961 1.7092 1.7092 3.0364 3.0364 3.2485 3.2485 3.6852 3.6852 4.0002 4.0002 5.3357 5.3357 5.8901 5.8901 6.3953 6.3953 6.5141 6.5141 7.2727 7.2727 8.2061 8.2061 8.8560 8.8560 9.1515 9.1515 10.1700 10.1700 11.0836 11.0836 11.3948 11.3948 k = 0.0000 0.0166-0.0054 ( 5712 PWs) bands (ev): -32.6276 -32.6276 -32.6157 -32.6157 -13.9442 -13.9442 -13.8972 -13.8972 -13.5922 -13.5922 -13.5392 -13.5392 -13.5365 -13.5365 -13.4947 -13.4947 -6.4732 -6.4732 -3.4534 -3.4534 -3.2603 -3.2603 -1.8843 -1.8843 -1.7129 -1.7129 1.6810 1.6810 1.7261 1.7261 3.0374 3.0374 3.2469 3.2469 3.6860 3.6860 4.0022 4.0022 5.3353 5.3353 5.8901 5.8901 6.3935 6.3935 6.5123 6.5123 7.2702 7.2702 8.2059 8.2059 8.8570 8.8570 9.1602 9.1602 10.1724 10.1724 11.0715 11.0715 11.4000 11.4000 k = 0.0000 0.0333-0.0109 ( 5713 PWs) bands (ev): -32.6276 -32.6276 -32.6157 -32.6157 -13.9441 -13.9441 -13.8973 -13.8973 -13.5922 -13.5922 -13.5398 -13.5398 -13.5358 -13.5358 -13.4948 -13.4948 -6.4711 -6.4711 -3.4560 -3.4560 -3.2669 -3.2669 -1.8837 -1.8837 -1.7078 -1.7078 1.6618 1.6618 1.7507 1.7507 3.0401 3.0401 3.2421 3.2421 3.6882 3.6882 4.0083 4.0083 5.3339 5.3339 5.8901 5.8901 6.3877 6.3877 6.5077 6.5077 7.2627 7.2627 8.2054 8.2054 8.8601 8.8601 9.1858 9.1858 10.1794 10.1794 11.0388 11.0388 11.4107 11.4107 k = 0.0000 0.0499-0.0163 ( 5712 PWs) bands (ev): -32.6275 -32.6275 -32.6158 -32.6158 -13.9441 -13.9441 -13.8974 -13.8974 -13.5922 -13.5922 -13.5405 -13.5405 -13.5350 -13.5350 -13.4949 -13.4949 -6.4676 -6.4676 -3.4604 -3.4604 -3.2777 -3.2777 -1.8827 -1.8827 -1.6994 -1.6994 1.6425 1.6425 1.7790 1.7790 3.0448 3.0448 3.2343 3.2343 3.6916 3.6916 4.0185 4.0185 5.3316 5.3316 5.8900 5.8900 6.3768 6.3768 6.5017 6.5017 7.2506 7.2506 8.2046 8.2046 8.8655 8.8655 9.2273 9.2273 10.1911 10.1911 10.9926 10.9926 11.4166 11.4166 k = 0.0000 0.0665-0.0217 ( 5714 PWs) bands (ev): -32.6275 -32.6275 -32.6158 -32.6158 -13.9440 -13.9440 -13.8976 -13.8976 -13.5921 -13.5921 -13.5413 -13.5413 -13.5342 -13.5342 -13.4950 -13.4950 -6.4628 -6.4628 -3.4663 -3.4663 -3.2927 -3.2927 -1.8814 -1.8814 -1.6878 -1.6878 1.6226 1.6226 1.8114 1.8114 3.0512 3.0512 3.2239 3.2239 3.6955 3.6955 4.0327 4.0327 5.3287 5.3287 5.8899 5.8899 6.3599 6.3599 6.4963 6.4963 7.2343 7.2343 8.2038 8.2038 8.8733 8.8733 9.2830 9.2830 10.2070 10.2070 10.9383 10.9383 11.4082 11.4082 k = 0.0000 0.0832-0.0272 ( 5721 PWs) bands (ev): -32.6275 -32.6275 -32.6158 -32.6158 -13.9439 -13.9439 -13.8979 -13.8979 -13.5921 -13.5921 -13.5421 -13.5421 -13.5334 -13.5334 -13.4951 -13.4951 -6.4566 -6.4566 -3.4737 -3.4737 -3.3117 -3.3117 -1.8797 -1.8797 -1.6731 -1.6731 1.6019 1.6019 1.8482 1.8482 3.0595 3.0595 3.2112 3.2112 3.6992 3.6992 4.0508 4.0508 5.3251 5.3251 5.8897 5.8897 6.3367 6.3367 6.4928 6.4928 7.2143 7.2143 8.2029 8.2029 8.8836 8.8836 9.3512 9.3512 10.2272 10.2272 10.8787 10.8787 11.3793 11.3793 k = 0.0000 0.0998-0.0326 ( 5723 PWs) bands (ev): -32.6274 -32.6274 -32.6159 -32.6159 -13.9437 -13.9437 -13.8982 -13.8982 -13.5920 -13.5920 -13.5429 -13.5429 -13.5326 -13.5326 -13.4953 -13.4953 -6.4491 -6.4491 -3.4826 -3.4826 -3.3343 -3.3343 -1.8777 -1.8777 -1.6554 -1.6554 1.5801 1.5801 1.8894 1.8894 3.0695 3.0695 3.1967 3.1967 3.7021 3.7021 4.0726 4.0726 5.3213 5.3213 5.8893 5.8893 6.3081 6.3081 6.4914 6.4914 7.1912 7.1912 8.2022 8.2022 8.8966 8.8966 9.4297 9.4297 10.2511 10.2511 10.8149 10.8149 11.3294 11.3294 k = 0.0000 0.1164-0.0381 ( 5716 PWs) bands (ev): -32.6274 -32.6274 -32.6160 -32.6160 -13.9435 -13.9435 -13.8986 -13.8986 -13.5919 -13.5919 -13.5437 -13.5437 -13.5317 -13.5317 -13.4955 -13.4955 -6.4403 -6.4403 -3.4927 -3.4927 -3.3602 -3.3602 -1.8753 -1.8753 -1.6351 -1.6351 1.5571 1.5571 1.9352 1.9352 3.0813 3.0813 3.1807 3.1807 3.7035 3.7035 4.0978 4.0978 5.3173 5.3173 5.8888 5.8888 6.2758 6.2758 6.4918 6.4918 7.1654 7.1654 8.2018 8.2018 8.9121 8.9121 9.5163 9.5163 10.2787 10.2787 10.7466 10.7466 11.2632 11.2632 k = 0.0000 0.1331-0.0435 ( 5719 PWs) bands (ev): -32.6273 -32.6273 -32.6160 -32.6160 -13.9433 -13.9433 -13.8990 -13.8990 -13.5918 -13.5918 -13.5445 -13.5445 -13.5309 -13.5309 -13.4957 -13.4957 -6.4303 -6.4303 -3.5040 -3.5040 -3.3892 -3.3892 -1.8727 -1.8727 -1.6122 -1.6122 1.5329 1.5329 1.9854 1.9854 3.0947 3.0947 3.1637 3.1637 3.7028 3.7028 4.1263 4.1263 5.3134 5.3134 5.8878 5.8878 6.2416 6.2416 6.4933 6.4933 7.1376 7.1376 8.2020 8.2020 8.9301 8.9301 9.6084 9.6084 10.3097 10.3097 10.6724 10.6724 11.1886 11.1886 k = 0.0000 0.1497-0.0489 ( 5719 PWs) bands (ev): -32.6272 -32.6272 -32.6161 -32.6161 -13.9431 -13.9431 -13.8994 -13.8994 -13.5917 -13.5917 -13.5452 -13.5452 -13.5301 -13.5301 -13.4959 -13.4959 -6.4192 -6.4192 -3.5163 -3.5163 -3.4208 -3.4208 -1.8698 -1.8698 -1.5871 -1.5871 1.5077 1.5077 2.0395 2.0395 3.1094 3.1094 3.1462 3.1462 3.6995 3.6995 4.1575 4.1575 5.3099 5.3099 5.8865 5.8865 6.2070 6.2070 6.4954 6.4954 7.1083 7.1083 8.2029 8.2029 8.9507 8.9507 9.7026 9.7026 10.3437 10.3437 10.5916 10.5916 11.1140 11.1140 k = 0.0000 0.1663-0.0544 ( 5720 PWs) bands (ev): -32.6271 -32.6271 -32.6162 -32.6162 -13.9428 -13.9428 -13.8999 -13.8999 -13.5916 -13.5916 -13.5460 -13.5460 -13.5292 -13.5292 -13.4962 -13.4962 -6.4070 -6.4070 -3.5298 -3.5298 -3.4544 -3.4544 -1.8666 -1.8666 -1.5600 -1.5600 1.4816 1.4816 2.0973 2.0973 3.1215 3.1215 3.1323 3.1323 3.6933 3.6933 4.1911 4.1911 5.3070 5.3070 5.8845 5.8845 6.1734 6.1734 6.4977 6.4977 7.0781 7.0781 8.2046 8.2046 8.9735 8.9735 9.7943 9.7943 10.3776 10.3776 10.5076 10.5076 11.0462 11.0462 k = 0.0000 0.1830-0.0598 ( 5712 PWs) bands (ev): -32.6270 -32.6270 -32.6163 -32.6163 -13.9425 -13.9425 -13.9005 -13.9005 -13.5914 -13.5914 -13.5467 -13.5467 -13.5284 -13.5284 -13.4965 -13.4965 -6.3938 -6.3938 -3.5448 -3.5448 -3.4891 -3.4891 -1.8633 -1.8633 -1.5312 -1.5312 1.4549 1.4549 2.1582 2.1582 3.1076 3.1076 3.1456 3.1456 3.6840 3.6840 4.2267 4.2267 5.3049 5.3049 5.8817 5.8817 6.1419 6.1419 6.5000 6.5000 7.0474 7.0474 8.2074 8.2074 8.9987 8.9987 9.8754 9.8754 10.3741 10.3741 10.4632 10.4632 10.9895 10.9895 k = 0.0000 0.1996-0.0652 ( 5712 PWs) bands (ev): -32.6269 -32.6269 -32.6164 -32.6164 -13.9422 -13.9422 -13.9010 -13.9010 -13.5913 -13.5913 -13.5474 -13.5474 -13.5276 -13.5276 -13.4968 -13.4968 -6.3796 -6.3796 -3.5627 -3.5627 -3.5228 -3.5228 -1.8597 -1.8597 -1.5009 -1.5009 1.4277 1.4277 2.2216 2.2216 3.0896 3.0896 3.1643 3.1643 3.6715 3.6715 4.2638 4.2638 5.3038 5.3038 5.8782 5.8782 6.1133 6.1133 6.5021 6.5021 7.0168 7.0168 8.2113 8.2113 9.0260 9.0260 9.9293 9.9293 10.3047 10.3047 10.5028 10.5028 10.9455 10.9455 k = 0.0000 0.2162-0.0707 ( 5709 PWs) bands (ev): -32.6268 -32.6268 -32.6165 -32.6165 -13.9419 -13.9419 -13.9016 -13.9016 -13.5911 -13.5911 -13.5481 -13.5481 -13.5267 -13.5267 -13.4971 -13.4971 -6.3647 -6.3647 -3.5879 -3.5879 -3.5508 -3.5508 -1.8560 -1.8560 -1.4694 -1.4694 1.4004 1.4004 2.2869 2.2869 3.0716 3.0716 3.1842 3.1842 3.6560 3.6560 4.3021 4.3021 5.3038 5.3038 5.8737 5.8737 6.0880 6.0880 6.5038 6.5038 6.9870 6.9870 8.2165 8.2165 9.0554 9.0554 9.9252 9.9252 10.2605 10.2605 10.5663 10.5663 10.9138 10.9138 k = 0.0000 0.2328-0.0761 ( 5706 PWs) bands (ev): -32.6267 -32.6267 -32.6166 -32.6166 -13.9416 -13.9416 -13.9023 -13.9023 -13.5910 -13.5910 -13.5488 -13.5488 -13.5259 -13.5259 -13.4975 -13.4975 -6.3491 -6.3491 -3.6219 -3.6219 -3.5710 -3.5710 -1.8522 -1.8522 -1.4371 -1.4371 1.3731 1.3731 2.3535 2.3535 3.0542 3.0542 3.2048 3.2048 3.6377 3.6377 4.3412 4.3412 5.3050 5.3050 5.8684 5.8684 6.0663 6.0663 6.5052 6.5052 6.9584 6.9584 8.2231 8.2231 9.0866 9.0866 9.8506 9.8506 10.2640 10.2640 10.6437 10.6437 10.8932 10.8932 k = 0.0000 0.2495-0.0816 ( 5710 PWs) bands (ev): -32.6266 -32.6266 -32.6167 -32.6167 -13.9412 -13.9412 -13.9029 -13.9029 -13.5908 -13.5908 -13.5495 -13.5495 -13.5251 -13.5251 -13.4979 -13.4979 -6.3328 -6.3328 -3.6603 -3.6603 -3.5872 -3.5872 -1.8483 -1.8483 -1.4043 -1.4043 1.3461 1.3461 2.4203 2.4203 3.0377 3.0377 3.2257 3.2257 3.6172 3.6172 4.3808 4.3808 5.3072 5.3072 5.8625 5.8625 6.0480 6.0480 6.5064 6.5064 6.9315 6.9315 8.2311 8.2311 9.1193 9.1193 9.7357 9.7357 10.2880 10.2880 10.7310 10.7310 10.8826 10.8826 k = 0.0000 0.2661-0.0870 ( 5717 PWs) bands (ev): -32.6265 -32.6265 -32.6168 -32.6168 -13.9409 -13.9409 -13.9036 -13.9036 -13.5907 -13.5907 -13.5501 -13.5501 -13.5244 -13.5244 -13.4982 -13.4982 -6.3162 -6.3162 -3.7002 -3.7002 -3.6017 -3.6017 -1.8444 -1.8444 -1.3712 -1.3712 1.3196 1.3196 2.4867 2.4867 3.0224 3.0224 3.2462 3.2462 3.5952 3.5952 4.4209 4.4209 5.3103 5.3103 5.8563 5.8563 6.0326 6.0326 6.5073 6.5073 6.9070 6.9070 8.2405 8.2405 9.1531 9.1531 9.6050 9.6050 10.3117 10.3117 10.8191 10.8191 10.8806 10.8806 k = 0.0000 0.2827-0.0924 ( 5724 PWs) bands (ev): -32.6263 -32.6263 -32.6170 -32.6170 -13.9405 -13.9405 -13.9043 -13.9043 -13.5905 -13.5905 -13.5507 -13.5507 -13.5236 -13.5236 -13.4986 -13.4986 -6.2992 -6.2992 -3.7404 -3.7404 -3.6153 -3.6153 -1.8405 -1.8405 -1.3381 -1.3381 1.2938 1.2938 2.5516 2.5516 3.0087 3.0087 3.2657 3.2657 3.5724 3.5724 4.4614 4.4614 5.3140 5.3140 5.8500 5.8500 6.0197 6.0197 6.5082 6.5082 6.8853 6.8853 8.2513 8.2513 9.1866 9.1866 9.4696 9.4696 10.3285 10.3285 10.8780 10.8780 10.8890 10.8890 k = 0.0000 0.2994-0.0979 ( 5727 PWs) bands (ev): -32.6262 -32.6262 -32.6171 -32.6171 -13.9401 -13.9401 -13.9050 -13.9050 -13.5904 -13.5904 -13.5513 -13.5513 -13.5229 -13.5229 -13.4990 -13.4990 -6.2821 -6.2821 -3.7803 -3.7803 -3.6282 -3.6282 -1.8366 -1.8366 -1.3054 -1.3054 1.2689 1.2689 2.6136 2.6136 2.9974 2.9974 3.2832 3.2832 3.5501 3.5501 4.5023 4.5023 5.3179 5.3179 5.8440 5.8440 6.0086 6.0086 6.5092 6.5092 6.8668 6.8668 8.2635 8.2635 9.2125 9.2125 9.3414 9.3414 10.3366 10.3366 10.8591 10.8591 10.8989 10.8989 k = 0.0000 0.3160-0.1033 ( 5731 PWs) bands (ev): -32.6261 -32.6261 -32.6172 -32.6172 -13.9397 -13.9397 -13.9057 -13.9057 -13.5902 -13.5902 -13.5519 -13.5519 -13.5222 -13.5222 -13.4994 -13.4994 -6.2651 -6.2651 -3.8193 -3.8193 -3.6404 -3.6404 -1.8328 -1.8328 -1.2735 -1.2735 1.2451 1.2451 2.6713 2.6713 2.9893 2.9893 3.2975 3.2975 3.5298 3.5298 4.5439 4.5439 5.3213 5.3213 5.8384 5.8384 5.9988 5.9988 6.5105 6.5105 6.8520 6.8520 8.2769 8.2769 9.1626 9.1626 9.2906 9.2906 10.3352 10.3352 10.7870 10.7870 10.9154 10.9154 k = 0.0000 0.3326-0.1087 ( 5728 PWs) bands (ev): -32.6260 -32.6260 -32.6173 -32.6173 -13.9393 -13.9393 -13.9063 -13.9063 -13.5901 -13.5901 -13.5523 -13.5523 -13.5214 -13.5214 -13.4998 -13.4998 -6.2483 -6.2483 -3.8570 -3.8570 -3.6519 -3.6519 -1.8291 -1.8291 -1.2425 -1.2425 1.2227 1.2227 2.7223 2.7223 2.9862 2.9862 3.3071 3.3071 3.5131 3.5131 4.5863 4.5863 5.3236 5.3236 5.8334 5.8334 5.9899 5.9899 6.5124 6.5124 6.8410 6.8410 8.2913 8.2913 9.0381 9.0381 9.3175 9.3175 10.3237 10.3237 10.7078 10.7078 10.9359 10.9359 k = 0.0000 0.3493-0.1142 ( 5729 PWs) bands (ev): -32.6258 -32.6258 -32.6174 -32.6174 -13.9390 -13.9390 -13.9070 -13.9070 -13.5900 -13.5900 -13.5528 -13.5528 -13.5208 -13.5208 -13.5002 -13.5002 -6.2320 -6.2320 -3.8931 -3.8931 -3.6625 -3.6625 -1.8256 -1.8256 -1.2129 -1.2129 1.2016 1.2016 2.7640 2.7640 2.9901 2.9901 3.3108 3.3108 3.5016 3.5016 4.6298 4.6298 5.3241 5.3241 5.8291 5.8291 5.9817 5.9817 6.5150 6.5150 6.8340 6.8340 8.3065 8.3065 8.9091 8.9091 9.3533 9.3533 10.3022 10.3022 10.6336 10.6336 10.9577 10.9577 k = 0.0000 0.3659-0.1196 ( 5726 PWs) bands (ev): -32.6257 -32.6257 -32.6176 -32.6176 -13.9386 -13.9386 -13.9076 -13.9076 -13.5898 -13.5898 -13.5533 -13.5533 -13.5201 -13.5201 -13.5006 -13.5006 -6.2163 -6.2163 -3.9270 -3.9270 -3.6724 -3.6724 -1.8223 -1.8223 -1.1850 -1.1850 1.1821 1.1821 2.7937 2.7937 3.0029 3.0029 3.3083 3.3083 3.4958 3.4958 4.6745 4.6745 5.3221 5.3221 5.8255 5.8255 5.9738 5.9738 6.5183 6.5183 6.8308 6.8308 8.3221 8.3221 8.7842 8.7842 9.3900 9.3900 10.2717 10.2717 10.5680 10.5680 10.9775 10.9775 k = 0.0000 0.3825-0.1251 ( 5725 PWs) bands (ev): -32.6256 -32.6256 -32.6177 -32.6177 -13.9382 -13.9382 -13.9082 -13.9082 -13.5897 -13.5897 -13.5537 -13.5537 -13.5195 -13.5195 -13.5010 -13.5010 -6.2014 -6.2014 -3.9586 -3.9586 -3.6813 -3.6813 -1.8192 -1.8192 -1.1590 -1.1590 1.1643 1.1643 2.8112 2.8112 3.0242 3.0242 3.3011 3.3011 3.4949 3.4949 4.7206 4.7206 5.3168 5.3168 5.8226 5.8226 5.9663 5.9663 6.5224 6.5224 6.8312 6.8312 8.3378 8.3378 8.6657 8.6657 9.4255 9.4255 10.2350 10.2350 10.5110 10.5110 10.9910 10.9910 k = 0.0000 0.3992-0.1305 ( 5723 PWs) bands (ev): -32.6255 -32.6255 -32.6178 -32.6178 -13.9379 -13.9379 -13.9087 -13.9087 -13.5896 -13.5896 -13.5540 -13.5540 -13.5190 -13.5190 -13.5014 -13.5014 -6.1877 -6.1877 -3.9873 -3.9873 -3.6893 -3.6893 -1.8164 -1.8164 -1.1352 -1.1352 1.1484 1.1484 2.8192 2.8192 3.0505 3.0505 3.2918 3.2918 3.4968 3.4968 4.7680 4.7680 5.3076 5.3076 5.8205 5.8205 5.9591 5.9591 6.5273 6.5273 6.8348 6.8348 8.3532 8.3532 8.5556 8.5556 9.4586 9.4586 10.1968 10.1968 10.4606 10.4606 10.9943 10.9943 k = 0.0000 0.4158-0.1359 ( 5723 PWs) bands (ev): -32.6254 -32.6254 -32.6179 -32.6179 -13.9375 -13.9375 -13.9092 -13.9092 -13.5895 -13.5895 -13.5543 -13.5543 -13.5184 -13.5184 -13.5017 -13.5017 -6.1752 -6.1752 -4.0130 -4.0130 -3.6963 -3.6963 -1.8139 -1.8139 -1.1140 -1.1140 1.1343 1.1343 2.8214 2.8214 3.0770 3.0770 3.2831 3.2831 3.4997 3.4997 4.8165 4.8165 5.2939 5.2939 5.8191 5.8191 5.9523 5.9523 6.5326 6.5326 6.8408 6.8408 8.3679 8.3679 8.4553 8.4553 9.4877 9.4877 10.1621 10.1621 10.4143 10.4143 10.9871 10.9872 k = 0.0000 0.4324-0.1414 ( 5722 PWs) bands (ev): -32.6253 -32.6253 -32.6179 -32.6179 -13.9373 -13.9373 -13.9097 -13.9097 -13.5894 -13.5894 -13.5546 -13.5546 -13.5180 -13.5180 -13.5020 -13.5020 -6.1642 -6.1642 -4.0353 -4.0353 -3.7023 -3.7023 -1.8117 -1.8117 -1.0956 -1.0956 1.1223 1.1223 2.8207 2.8207 3.0999 3.0999 3.2775 3.2775 3.5024 3.5024 4.8658 4.8658 5.2755 5.2755 5.8185 5.8185 5.9460 5.9460 6.5382 6.5382 6.8484 6.8484 8.3658 8.3658 8.3819 8.3819 9.5117 9.5117 10.1354 10.1354 10.3703 10.3703 10.9727 10.9727 k = 0.0000 0.4491-0.1468 ( 5720 PWs) bands (ev): -32.6253 -32.6253 -32.6180 -32.6180 -13.9370 -13.9370 -13.9100 -13.9100 -13.5893 -13.5893 -13.5548 -13.5548 -13.5176 -13.5176 -13.5022 -13.5022 -6.1550 -6.1550 -4.0539 -4.0539 -3.7073 -3.7073 -1.8099 -1.8099 -1.0802 -1.0802 1.1123 1.1123 2.8186 2.8186 3.1167 3.1167 3.2764 3.2764 3.5041 3.5041 4.9152 4.9152 5.2523 5.2523 5.8186 5.8186 5.9404 5.9404 6.5437 6.5437 6.8567 6.8567 8.2902 8.2902 8.3933 8.3933 9.5298 9.5298 10.1199 10.1199 10.3276 10.3276 10.9553 10.9553 k = 0.0000 0.4657-0.1522 ( 5711 PWs) bands (ev): -32.6252 -32.6252 -32.6181 -32.6181 -13.9368 -13.9368 -13.9103 -13.9103 -13.5893 -13.5893 -13.5550 -13.5550 -13.5173 -13.5173 -13.5024 -13.5024 -6.1476 -6.1476 -4.0686 -4.0686 -3.7111 -3.7111 -1.8085 -1.8085 -1.0679 -1.0679 1.1045 1.1045 2.8163 2.8163 3.1270 3.1270 3.2794 3.2794 3.5049 3.5049 4.9640 4.9640 5.2246 5.2246 5.8190 5.8190 5.9356 5.9356 6.5485 6.5485 6.8647 6.8647 8.2290 8.2290 8.4030 8.4030 9.5419 9.5419 10.1167 10.1167 10.2860 10.2860 10.9388 10.9388 k = 0.0000 0.4823-0.1577 ( 5717 PWs) bands (ev): -32.6252 -32.6252 -32.6181 -32.6181 -13.9366 -13.9366 -13.9106 -13.9106 -13.5892 -13.5892 -13.5551 -13.5551 -13.5171 -13.5171 -13.5026 -13.5026 -6.1422 -6.1422 -4.0793 -4.0793 -3.7139 -3.7139 -1.8074 -1.8074 -1.0591 -1.0591 1.0989 1.0989 2.8143 2.8143 3.1321 3.1321 3.2846 3.2846 3.5049 3.5049 5.0109 5.0109 5.1930 5.1930 5.8196 5.8196 5.9320 5.9320 6.5524 6.5524 6.8712 6.8712 8.1840 8.1840 8.4103 8.4103 9.5488 9.5488 10.1255 10.1255 10.2462 10.2462 10.9256 10.9256 k = 0.0000 0.4990-0.1631 ( 5714 PWs) bands (ev): -32.6251 -32.6251 -32.6181 -32.6181 -13.9366 -13.9366 -13.9107 -13.9107 -13.5892 -13.5892 -13.5552 -13.5552 -13.5169 -13.5169 -13.5027 -13.5027 -6.1389 -6.1389 -4.0858 -4.0858 -3.7156 -3.7156 -1.8068 -1.8068 -1.0537 -1.0537 1.0956 1.0956 2.8129 2.8129 3.1341 3.1341 3.2890 3.2890 3.5046 3.5046 5.0533 5.0533 5.1600 5.1600 5.8201 5.8201 5.9297 5.9297 6.5549 6.5549 6.8756 6.8756 8.1563 8.1563 8.4147 8.4147 9.5521 9.5521 10.1440 10.1440 10.2096 10.2096 10.9171 10.9171 k = 0.0000 0.5156-0.1685 ( 5708 PWs) bands (ev): -32.6251 -32.6251 -32.6181 -32.6181 -13.9365 -13.9365 -13.9107 -13.9107 -13.5892 -13.5892 -13.5552 -13.5552 -13.5169 -13.5169 -13.5027 -13.5027 -6.1378 -6.1378 -4.0879 -4.0879 -3.7162 -3.7162 -1.8066 -1.8066 -1.0520 -1.0520 1.0944 1.0944 2.8125 2.8125 3.1346 3.1346 3.2908 3.2908 3.5045 3.5045 5.0766 5.0766 5.1398 5.1398 5.8202 5.8202 5.9289 5.9289 6.5558 6.5558 6.8771 6.8771 8.1470 8.1470 8.4162 8.4162 9.5531 9.5531 10.1623 10.1623 10.1854 10.1854 10.9142 10.9142 k = 0.5000 0.3796-0.2217 ( 5694 PWs) bands (ev): -32.6223 -32.6223 -32.6209 -32.6209 -13.9310 -13.9310 -13.9223 -13.9223 -13.5809 -13.5809 -13.5709 -13.5709 -13.5119 -13.5119 -13.5047 -13.5047 -5.7985 -5.7985 -4.7632 -4.7632 -3.0673 -3.0673 -2.6885 -2.6885 -0.5001 -0.5001 0.9918 0.9918 2.3641 2.3641 3.4215 3.4215 4.0681 4.0681 4.5576 4.5576 4.6955 4.6955 4.8592 4.8592 5.2366 5.2366 5.7348 5.7348 6.3359 6.3359 7.1570 7.1570 7.3883 7.3883 9.6651 9.6651 9.7444 9.7444 10.0611 10.0611 10.6070 10.6070 10.9837 10.9837 k = 0.4868 0.3696-0.2158 ( 5699 PWs) bands (ev): -32.6223 -32.6223 -32.6208 -32.6208 -13.9310 -13.9310 -13.9223 -13.9223 -13.5809 -13.5809 -13.5708 -13.5708 -13.5120 -13.5120 -13.5047 -13.5047 -5.8005 -5.8005 -4.7606 -4.7606 -3.0678 -3.0678 -2.6876 -2.6876 -0.5007 -0.5007 0.9924 0.9924 2.3634 2.3634 3.4195 3.4195 4.0664 4.0664 4.5580 4.5580 4.6749 4.6749 4.8798 4.8798 5.2372 5.2372 5.7332 5.7332 6.3379 6.3379 7.1597 7.1597 7.3876 7.3876 9.6669 9.6669 9.7428 9.7428 10.0638 10.0638 10.6050 10.6050 10.9907 10.9907 k = 0.4737 0.3596-0.2100 ( 5700 PWs) bands (ev): -32.6224 -32.6224 -32.6207 -32.6207 -13.9312 -13.9312 -13.9220 -13.9220 -13.5810 -13.5810 -13.5707 -13.5707 -13.5122 -13.5122 -13.5045 -13.5045 -5.8065 -5.8065 -4.7528 -4.7528 -3.0691 -3.0691 -2.6848 -2.6848 -0.5025 -0.5025 0.9944 0.9944 2.3612 2.3612 3.4133 3.4133 4.0614 4.0614 4.5578 4.5578 4.6340 4.6340 4.9206 4.9206 5.2415 5.2415 5.7285 5.7285 6.3440 6.3440 7.1676 7.1676 7.3858 7.3858 9.6706 9.6706 9.7401 9.7401 10.0717 10.0717 10.6001 10.6001 11.0101 11.0101 k = 0.4605 0.3496-0.2042 ( 5698 PWs) bands (ev): -32.6226 -32.6226 -32.6206 -32.6206 -13.9315 -13.9315 -13.9216 -13.9216 -13.5811 -13.5811 -13.5704 -13.5704 -13.5125 -13.5125 -13.5043 -13.5043 -5.8162 -5.8162 -4.7399 -4.7399 -3.0713 -3.0713 -2.6802 -2.6802 -0.5056 -0.5056 0.9977 0.9977 2.3577 2.3577 3.4029 3.4029 4.0528 4.0528 4.5468 4.5468 4.6017 4.6017 4.9568 4.9568 5.2557 5.2557 5.7202 5.7202 6.3539 6.3539 7.1795 7.1795 7.3836 7.3836 9.6697 9.6697 9.7435 9.7435 10.0836 10.0836 10.5942 10.5942 11.0212 11.0212 k = 0.4474 0.3396-0.1983 ( 5698 PWs) bands (ev): -32.6228 -32.6228 -32.6204 -32.6204 -13.9319 -13.9319 -13.9211 -13.9211 -13.5813 -13.5813 -13.5701 -13.5701 -13.5128 -13.5128 -13.5040 -13.5040 -5.8294 -5.8294 -4.7224 -4.7224 -3.0742 -3.0742 -2.6740 -2.6740 -0.5101 -0.5101 1.0024 1.0024 2.3528 2.3528 3.3885 3.3885 4.0402 4.0402 4.5139 4.5139 4.5962 4.5962 4.9756 4.9756 5.2874 5.2874 5.7083 5.7083 6.3675 6.3675 7.1934 7.1934 7.3828 7.3828 9.6586 9.6586 9.7595 9.7595 10.0986 10.0986 10.5898 10.5898 10.9615 10.9615 k = 0.4342 0.3296-0.1925 ( 5691 PWs) bands (ev): -32.6230 -32.6230 -32.6202 -32.6202 -13.9323 -13.9323 -13.9205 -13.9205 -13.5816 -13.5816 -13.5696 -13.5696 -13.5133 -13.5133 -13.5037 -13.5037 -5.8456 -5.8456 -4.7005 -4.7005 -3.0778 -3.0778 -2.6660 -2.6660 -0.5161 -0.5161 1.0085 1.0085 2.3465 2.3465 3.3699 3.3699 4.0236 4.0236 4.4755 4.4755 4.6032 4.6032 4.9744 4.9744 5.3380 5.3380 5.6927 5.6927 6.3842 6.3842 7.2064 7.2064 7.3855 7.3855 9.6389 9.6389 9.7871 9.7871 10.1151 10.1151 10.5888 10.5888 10.8911 10.8911 k = 0.4211 0.3196-0.1867 ( 5692 PWs) bands (ev): -32.6232 -32.6232 -32.6200 -32.6200 -13.9327 -13.9327 -13.9198 -13.9198 -13.5818 -13.5818 -13.5691 -13.5691 -13.5138 -13.5138 -13.5033 -13.5033 -5.8646 -5.8646 -4.6747 -4.6747 -3.0820 -3.0820 -2.6566 -2.6566 -0.5237 -0.5237 1.0162 1.0162 2.3389 2.3389 3.3474 3.3474 4.0031 4.0031 4.4406 4.4406 4.6139 4.6139 4.9588 4.9588 5.4022 5.4022 5.6737 5.6737 6.4035 6.4035 7.2149 7.2149 7.3947 7.3947 9.6146 9.6146 9.8230 9.8230 10.1320 10.1320 10.5927 10.5927 10.8220 10.8220 k = 0.4079 0.3096-0.1808 ( 5691 PWs) bands (ev): -32.6234 -32.6234 -32.6198 -32.6198 -13.9332 -13.9332 -13.9191 -13.9191 -13.5821 -13.5821 -13.5685 -13.5685 -13.5143 -13.5143 -13.5030 -13.5030 -5.8859 -5.8859 -4.6453 -4.6453 -3.0866 -3.0866 -2.6457 -2.6457 -0.5331 -0.5331 1.0255 1.0255 2.3300 2.3300 3.3211 3.3211 3.9791 3.9791 4.4104 4.4104 4.6258 4.6258 4.9358 4.9358 5.4741 5.4741 5.6519 5.6519 6.4247 6.4247 7.2167 7.2167 7.4120 7.4120 9.5883 9.5883 9.8647 9.8647 10.1485 10.1485 10.6010 10.6010 10.7585 10.7585 k = 0.3947 0.2997-0.1750 ( 5695 PWs) bands (ev): -32.6236 -32.6236 -32.6195 -32.6195 -13.9337 -13.9337 -13.9183 -13.9183 -13.5825 -13.5825 -13.5679 -13.5679 -13.5149 -13.5149 -13.5026 -13.5026 -5.9091 -5.9091 -4.6127 -4.6127 -3.0916 -3.0916 -2.6335 -2.6335 -0.5445 -0.5445 1.0364 1.0364 2.3198 2.3198 3.2913 3.2913 3.9526 3.9526 4.3845 4.3845 4.6372 4.6372 4.9111 4.9111 5.5495 5.5495 5.6281 5.6281 6.4470 6.4470 7.2117 7.2117 7.4369 7.4369 9.5618 9.5618 9.9104 9.9104 10.1639 10.1639 10.6068 10.6068 10.7099 10.7099 k = 0.3816 0.2897-0.1692 ( 5695 PWs) bands (ev): -32.6238 -32.6238 -32.6193 -32.6193 -13.9342 -13.9342 -13.9174 -13.9174 -13.5828 -13.5828 -13.5672 -13.5672 -13.5155 -13.5155 -13.5022 -13.5022 -5.9338 -5.9338 -4.5774 -4.5774 -3.0969 -3.0969 -2.6201 -2.6201 -0.5581 -0.5581 1.0492 1.0492 2.3083 2.3083 3.2586 3.2586 3.9245 3.9245 4.3611 4.3611 4.6461 4.6461 4.8896 4.8896 5.5998 5.5998 5.6290 5.6290 6.4698 6.4698 7.2016 7.2016 7.4672 7.4672 9.5366 9.5366 9.9579 9.9579 10.1789 10.1789 10.5877 10.5877 10.7001 10.7001 k = 0.3684 0.2797-0.1633 ( 5694 PWs) bands (ev): -32.6240 -32.6240 -32.6191 -32.6191 -13.9347 -13.9347 -13.9166 -13.9166 -13.5832 -13.5832 -13.5664 -13.5664 -13.5162 -13.5162 -13.5018 -13.5018 -5.9597 -5.9597 -4.5396 -4.5396 -3.1023 -3.1023 -2.6055 -2.6055 -0.5739 -0.5739 1.0638 1.0638 2.2956 2.2956 3.2235 3.2235 3.8956 3.8956 4.3387 4.3387 4.6502 4.6502 4.8755 4.8755 5.5747 5.5747 5.7041 5.7041 6.4924 6.4924 7.1885 7.1885 7.5005 7.5005 9.5138 9.5138 10.0036 10.0036 10.1955 10.1955 10.5464 10.5464 10.7272 10.7272 k = 0.3553 0.2697-0.1575 ( 5692 PWs) bands (ev): -32.6243 -32.6243 -32.6189 -32.6189 -13.9353 -13.9353 -13.9156 -13.9156 -13.5836 -13.5836 -13.5656 -13.5656 -13.5168 -13.5168 -13.5014 -13.5014 -5.9865 -5.9865 -4.4998 -4.4998 -3.1078 -3.1078 -2.5899 -2.5899 -0.5923 -0.5923 1.0804 1.0804 2.2817 2.2817 3.1867 3.1867 3.8664 3.8664 4.3159 4.3159 4.6479 4.6479 4.8717 4.8717 5.5484 5.5484 5.7789 5.7789 6.5141 6.5141 7.1737 7.1737 7.5349 7.5349 9.4945 9.4945 10.0419 10.0419 10.2180 10.2180 10.5036 10.5036 10.7709 10.7709 k = 0.3421 0.2597-0.1517 ( 5699 PWs) bands (ev): -32.6245 -32.6245 -32.6187 -32.6187 -13.9358 -13.9358 -13.9147 -13.9147 -13.5840 -13.5840 -13.5648 -13.5648 -13.5175 -13.5175 -13.5009 -13.5009 -6.0138 -6.0138 -4.4581 -4.4581 -3.1133 -3.1133 -2.5732 -2.5732 -0.6133 -0.6133 1.0988 1.0988 2.2665 2.2665 3.1491 3.1491 3.8372 3.8372 4.2914 4.2914 4.6394 4.6394 4.8787 4.8787 5.5227 5.5227 5.8513 5.8513 6.5346 6.5346 7.1586 7.1586 7.5692 7.5692 9.4790 9.4790 10.0671 10.0671 10.2503 10.2503 10.4673 10.4673 10.8236 10.8236 k = 0.3289 0.2497-0.1458 ( 5699 PWs) bands (ev): -32.6247 -32.6247 -32.6185 -32.6185 -13.9363 -13.9363 -13.9138 -13.9138 -13.5845 -13.5845 -13.5639 -13.5639 -13.5182 -13.5182 -13.5005 -13.5005 -6.0415 -6.0415 -4.4148 -4.4148 -3.1187 -3.1187 -2.5557 -2.5557 -0.6371 -0.6371 1.1192 1.1192 2.2500 2.2500 3.1114 3.1114 3.8078 3.8078 4.2652 4.2652 4.6263 4.6263 4.8948 4.8948 5.4984 5.4984 5.9205 5.9205 6.5533 6.5533 7.1441 7.1441 7.6023 7.6023 9.4674 9.4674 10.0780 10.0780 10.2889 10.2889 10.4440 10.4440 10.8806 10.8806 k = 0.3158 0.2397-0.1400 ( 5702 PWs) bands (ev): -32.6249 -32.6249 -32.6183 -32.6183 -13.9368 -13.9368 -13.9128 -13.9128 -13.5849 -13.5849 -13.5629 -13.5629 -13.5189 -13.5189 -13.5002 -13.5002 -6.0694 -6.0694 -4.3702 -4.3702 -3.1241 -3.1241 -2.5373 -2.5373 -0.6636 -0.6636 1.1415 1.1415 2.2321 2.2321 3.0745 3.0745 3.7781 3.7781 4.2373 4.2373 4.6100 4.6100 4.9178 4.9178 5.4762 5.4762 5.9860 5.9860 6.5698 6.5698 7.1310 7.1310 7.6339 7.6339 9.4590 9.4590 10.0793 10.0793 10.3164 10.3164 10.4476 10.4476 10.9339 10.9339 k = 0.3026 0.2297-0.1342 ( 5702 PWs) bands (ev): -32.6251 -32.6251 -32.6181 -32.6181 -13.9373 -13.9373 -13.9118 -13.9118 -13.5853 -13.5853 -13.5620 -13.5620 -13.5196 -13.5196 -13.4998 -13.4998 -6.0971 -6.0971 -4.3244 -4.3244 -3.1293 -3.1293 -2.5180 -2.5180 -0.6929 -0.6929 1.1656 1.1656 2.2130 2.2130 3.0390 3.0390 3.7479 3.7479 4.2085 4.2085 4.5915 4.5915 4.9458 4.9458 5.4566 5.4566 6.0471 6.0471 6.5837 6.5837 7.1199 7.1199 7.6636 7.6636 9.4524 9.4524 10.0767 10.0767 10.3170 10.3170 10.4888 10.4888 10.9582 10.9582 k = 0.2895 0.2197-0.1283 ( 5699 PWs) bands (ev): -32.6253 -32.6253 -32.6179 -32.6179 -13.9378 -13.9378 -13.9109 -13.9109 -13.5857 -13.5857 -13.5610 -13.5610 -13.5204 -13.5204 -13.4994 -13.4994 -6.1247 -6.1247 -4.2778 -4.2778 -3.1344 -3.1344 -2.4979 -2.4979 -0.7250 -0.7250 1.1914 1.1914 2.1925 2.1925 3.0057 3.0057 3.7167 3.7167 4.1798 4.1798 4.5707 4.5707 4.9776 4.9776 5.4402 5.4402 6.1036 6.1036 6.5947 6.5947 7.1113 7.1113 7.6918 7.6918 9.4456 9.4456 10.0747 10.0747 10.3021 10.3021 10.5524 10.5524 10.9313 10.9313 k = 0.2763 0.2098-0.1225 ( 5705 PWs) bands (ev): -32.6255 -32.6255 -32.6178 -32.6178 -13.9383 -13.9383 -13.9099 -13.9099 -13.5862 -13.5862 -13.5600 -13.5600 -13.5211 -13.5211 -13.4990 -13.4990 -6.1518 -6.1518 -4.2304 -4.2304 -3.1394 -3.1394 -2.4770 -2.4770 -0.7599 -0.7599 1.2187 1.2187 2.1706 2.1706 2.9752 2.9752 3.6844 3.6844 4.1522 4.1522 4.5471 4.5471 5.0122 5.0122 5.4273 5.4273 6.1553 6.1553 6.6027 6.6027 7.1055 7.1055 7.7186 7.7186 9.4361 9.4361 10.0759 10.0759 10.2821 10.2821 10.6253 10.6253 10.8874 10.8874 k = 0.2632 0.1998-0.1167 ( 5710 PWs) bands (ev): -32.6257 -32.6257 -32.6176 -32.6176 -13.9388 -13.9388 -13.9089 -13.9089 -13.5866 -13.5866 -13.5589 -13.5589 -13.5218 -13.5218 -13.4987 -13.4987 -6.1785 -6.1785 -4.1825 -4.1825 -3.1442 -3.1442 -2.4554 -2.4554 -0.7973 -0.7973 1.2473 1.2473 2.1475 2.1475 2.9480 2.9480 3.6508 3.6508 4.1264 4.1264 4.5205 4.5205 5.0487 5.0487 5.4184 5.4184 6.2018 6.2018 6.6076 6.6076 7.1026 7.1026 7.7445 7.7445 9.4221 9.4221 10.0788 10.0788 10.2631 10.2631 10.7019 10.7019 10.8473 10.8473 k = 0.2500 0.1898-0.1108 ( 5709 PWs) bands (ev): -32.6258 -32.6258 -32.6174 -32.6174 -13.9393 -13.9393 -13.9080 -13.9080 -13.5871 -13.5871 -13.5578 -13.5578 -13.5226 -13.5226 -13.4984 -13.4984 -6.2045 -6.2045 -4.1342 -4.1342 -3.1489 -3.1489 -2.4330 -2.4330 -0.8373 -0.8373 1.2769 1.2769 2.1231 2.1231 2.9245 2.9245 3.6159 3.6159 4.1030 4.1030 4.4903 4.4903 5.0865 5.0865 5.4136 5.4136 6.2433 6.2433 6.6095 6.6095 7.1026 7.1026 7.7702 7.7702 9.4023 9.4023 10.0744 10.0744 10.2551 10.2551 10.7709 10.7709 10.8261 10.8261 k = 0.2368 0.1798-0.1050 ( 5712 PWs) bands (ev): -32.6260 -32.6260 -32.6172 -32.6172 -13.9397 -13.9397 -13.9070 -13.9070 -13.5875 -13.5875 -13.5568 -13.5568 -13.5233 -13.5233 -13.4980 -13.4980 -6.2298 -6.2298 -4.0858 -4.0858 -3.1535 -3.1535 -2.4098 -2.4098 -0.8797 -0.8797 1.3072 1.3072 2.0977 2.0977 2.9050 2.9050 3.5801 3.5801 4.0823 4.0823 4.4566 4.4566 5.1245 5.1245 5.4133 5.4133 6.2796 6.2796 6.6086 6.6086 7.1054 7.1054 7.7960 7.7960 9.3766 9.3766 10.0501 10.0501 10.2707 10.2707 10.7778 10.7778 10.8789 10.8789 k = 0.2237 0.1698-0.0992 ( 5716 PWs) bands (ev): -32.6262 -32.6262 -32.6171 -32.6171 -13.9402 -13.9402 -13.9061 -13.9061 -13.5880 -13.5880 -13.5557 -13.5557 -13.5241 -13.5241 -13.4977 -13.4977 -6.2542 -6.2542 -4.0374 -4.0374 -3.1580 -3.1580 -2.3859 -2.3859 -0.9242 -0.9242 1.3380 1.3380 2.0714 2.0714 2.8898 2.8898 3.5436 3.5436 4.0644 4.0644 4.4192 4.4192 5.1618 5.1618 5.4181 5.4181 6.3111 6.3111 6.6055 6.6055 7.1105 7.1105 7.8225 7.8225 9.3458 9.3458 10.0044 10.0044 10.3109 10.3109 10.7665 10.7665 10.9495 10.9499 k = 0.2105 0.1598-0.0933 ( 5719 PWs) bands (ev): -32.6263 -32.6263 -32.6169 -32.6169 -13.9406 -13.9406 -13.9052 -13.9052 -13.5884 -13.5884 -13.5546 -13.5546 -13.5248 -13.5248 -13.4974 -13.4974 -6.2776 -6.2776 -3.9892 -3.9892 -3.1625 -3.1625 -2.3612 -2.3612 -0.9706 -0.9706 1.3689 1.3689 2.0445 2.0445 2.8790 2.8790 3.5069 3.5069 4.0492 4.0492 4.3784 4.3784 5.1968 5.1968 5.4285 5.4285 6.3377 6.3377 6.6004 6.6004 7.1177 7.1177 7.8498 7.8498 9.3110 9.3110 9.9445 9.9445 10.3678 10.3678 10.7589 10.7589 10.9056 10.9056 k = 0.1974 0.1498-0.0875 ( 5720 PWs) bands (ev): -32.6265 -32.6265 -32.6168 -32.6168 -13.9410 -13.9410 -13.9043 -13.9043 -13.5888 -13.5888 -13.5535 -13.5535 -13.5256 -13.5256 -13.4971 -13.4971 -6.3000 -6.3000 -3.9414 -3.9414 -3.1671 -3.1671 -2.3356 -2.3356 -1.0187 -1.0187 1.3995 1.3995 2.0171 2.0171 2.8727 2.8727 3.4705 3.4705 4.0366 4.0366 4.3346 4.3346 5.2280 5.2280 5.4455 5.4455 6.3598 6.3598 6.5939 6.5939 7.1267 7.1267 7.8780 7.8780 9.2736 9.2736 9.8764 9.8764 10.4338 10.4338 10.7499 10.7499 10.8706 10.8706 k = 0.1842 0.1398-0.0817 ( 5715 PWs) bands (ev): -32.6266 -32.6266 -32.6167 -32.6167 -13.9414 -13.9414 -13.9035 -13.9035 -13.5892 -13.5892 -13.5523 -13.5523 -13.5263 -13.5263 -13.4968 -13.4968 -6.3214 -6.3214 -3.8942 -3.8942 -3.1717 -3.1717 -2.3092 -2.3092 -1.0683 -1.0683 1.4296 1.4296 1.9897 1.9897 2.8709 2.8709 3.4348 3.4348 4.0262 4.0262 4.2880 4.2880 5.2541 5.2541 5.4694 5.4694 6.3777 6.3777 6.5863 6.5863 7.1371 7.1371 7.9071 7.9071 9.2347 9.2347 9.8040 9.8040 10.5012 10.5012 10.7298 10.7298 10.8593 10.8593 k = 0.1711 0.1298-0.0758 ( 5721 PWs) bands (ev): -32.6267 -32.6267 -32.6165 -32.6165 -13.9418 -13.9418 -13.9027 -13.9027 -13.5896 -13.5896 -13.5512 -13.5512 -13.5271 -13.5271 -13.4965 -13.4965 -6.3415 -6.3415 -3.8478 -3.8478 -3.1765 -3.1765 -2.2819 -2.2819 -1.1191 -1.1191 1.4587 1.4587 1.9624 1.9624 2.8734 2.8734 3.4003 3.4003 4.0178 4.0178 4.2392 4.2392 5.2749 5.2749 5.4999 5.4999 6.3916 6.3916 6.5781 6.5781 7.1486 7.1486 7.9368 7.9368 9.1951 9.1951 9.7297 9.7297 10.5561 10.5561 10.7053 10.7053 10.8756 10.8756 k = 0.1579 0.1199-0.0700 ( 5725 PWs) bands (ev): -32.6269 -32.6269 -32.6164 -32.6164 -13.9421 -13.9421 -13.9019 -13.9019 -13.5899 -13.5899 -13.5501 -13.5501 -13.5279 -13.5279 -13.4963 -13.4963 -6.3604 -6.3604 -3.8024 -3.8024 -3.1816 -3.1816 -2.2537 -2.2537 -1.1709 -1.1709 1.4866 1.4866 1.9355 1.9355 2.8800 2.8800 3.3676 3.3676 4.0111 4.0111 4.1886 4.1886 5.2908 5.2908 5.5357 5.5357 6.4020 6.4020 6.5697 6.5697 7.1611 7.1611 7.9670 7.9670 9.1557 9.1557 9.6556 9.6556 10.5680 10.5680 10.7098 10.7098 10.9140 10.9140 k = 0.1447 0.1099-0.0642 ( 5727 PWs) bands (ev): -32.6270 -32.6270 -32.6163 -32.6163 -13.9424 -13.9424 -13.9012 -13.9012 -13.5903 -13.5903 -13.5490 -13.5490 -13.5286 -13.5286 -13.4961 -13.4961 -6.3780 -6.3780 -3.7583 -3.7583 -3.1870 -3.1870 -2.2244 -2.2244 -1.2234 -1.2234 1.5130 1.5130 1.9093 1.9093 2.8906 2.8906 3.3371 3.3371 4.0058 4.0058 4.1368 4.1368 5.3027 5.3027 5.5752 5.5752 6.4092 6.4092 6.5613 6.5613 7.1741 7.1741 7.9973 7.9973 9.1169 9.1169 9.5832 9.5832 10.5352 10.5352 10.7466 10.7466 10.9705 10.9705 k = 0.1316 0.0999-0.0583 ( 5729 PWs) bands (ev): -32.6271 -32.6271 -32.6162 -32.6162 -13.9427 -13.9427 -13.9006 -13.9006 -13.5906 -13.5906 -13.5480 -13.5480 -13.5294 -13.5294 -13.4959 -13.4959 -6.3943 -6.3943 -3.7157 -3.7157 -3.1928 -3.1928 -2.1942 -2.1942 -1.2762 -1.2762 1.5378 1.5378 1.8840 1.8840 2.9046 2.9046 3.3093 3.3093 4.0013 4.0013 4.0846 4.0846 5.3117 5.3117 5.6166 5.6166 6.4134 6.4134 6.5533 6.5533 7.1874 7.1874 8.0271 8.0271 9.0792 9.0792 9.5139 9.5139 10.4880 10.4880 10.7884 10.7884 11.0400 11.0400 k = 0.1184 0.0899-0.0525 ( 5724 PWs) bands (ev): -32.6272 -32.6272 -32.6161 -32.6161 -13.9430 -13.9430 -13.9000 -13.9000 -13.5909 -13.5909 -13.5469 -13.5469 -13.5302 -13.5302 -13.4957 -13.4957 -6.4091 -6.4091 -3.6748 -3.6748 -3.1990 -3.1990 -2.1629 -2.1629 -1.3292 -1.3292 1.5608 1.5608 1.8599 1.8599 2.9216 2.9216 3.2846 3.2846 3.9953 3.9953 4.0347 4.0347 5.3185 5.3185 5.6584 5.6584 6.4152 6.4152 6.5459 6.5459 7.2007 7.2007 8.0562 8.0562 9.0431 9.0431 9.4487 9.4487 10.4380 10.4380 10.8282 10.8282 11.1152 11.1152 k = 0.1053 0.0799-0.0467 ( 5720 PWs) bands (ev): -32.6273 -32.6273 -32.6160 -32.6160 -13.9432 -13.9432 -13.8994 -13.8994 -13.5912 -13.5912 -13.5458 -13.5458 -13.5309 -13.5309 -13.4955 -13.4955 -6.4225 -6.4225 -3.6360 -3.6360 -3.2058 -3.2058 -2.1305 -2.1305 -1.3821 -1.3821 1.5820 1.5820 1.8370 1.8370 2.9407 2.9407 3.2636 3.2636 3.9688 3.9688 4.0063 4.0063 5.3236 5.3236 5.6995 5.6995 6.4150 6.4150 6.5392 6.5392 7.2136 7.2136 8.0840 8.0840 9.0088 9.0088 9.3885 9.3885 10.3889 10.3889 10.8661 10.8661 11.1893 11.1893 k = 0.0921 0.0699-0.0408 ( 5723 PWs) bands (ev): -32.6273 -32.6273 -32.6160 -32.6160 -13.9435 -13.9435 -13.8989 -13.8989 -13.5914 -13.5914 -13.5448 -13.5448 -13.5317 -13.5317 -13.4953 -13.4953 -6.4344 -6.4344 -3.5995 -3.5995 -3.2131 -3.2131 -2.0970 -2.0970 -1.4345 -1.4345 1.6014 1.6014 1.8156 1.8156 2.9609 2.9609 3.2469 3.2469 3.9204 3.9204 4.0014 4.0014 5.3275 5.3275 5.7388 5.7388 6.4131 6.4131 6.5334 6.5334 7.2260 7.2260 8.1100 8.1100 8.9767 8.9767 9.3342 9.3342 10.3424 10.3424 10.9031 10.9031 11.2563 11.2563 k = 0.0789 0.0599-0.0350 ( 5718 PWs) bands (ev): -32.6274 -32.6274 -32.6159 -32.6159 -13.9436 -13.9436 -13.8984 -13.8984 -13.5916 -13.5916 -13.5437 -13.5437 -13.5325 -13.5325 -13.4952 -13.4952 -6.4448 -6.4448 -3.5656 -3.5656 -3.2209 -3.2209 -2.0624 -2.0624 -1.4860 -1.4860 1.6190 1.6190 1.7956 1.7956 2.9808 2.9808 3.2351 3.2351 3.8708 3.8708 4.0001 4.0001 5.3303 5.3303 5.7753 5.7753 6.4102 6.4102 6.5283 6.5283 7.2374 7.2374 8.1337 8.1337 8.9474 8.9474 9.2863 9.2863 10.2998 10.2998 10.9395 10.9395 11.3114 11.3114 k = 0.0658 0.0499-0.0292 ( 5717 PWs) bands (ev): -32.6275 -32.6275 -32.6158 -32.6158 -13.9438 -13.9438 -13.8981 -13.8981 -13.5918 -13.5918 -13.5427 -13.5427 -13.5333 -13.5333 -13.4950 -13.4950 -6.4536 -6.4536 -3.5349 -3.5349 -3.2290 -3.2290 -2.0270 -2.0270 -1.5363 -1.5363 1.6351 1.6351 1.7772 1.7772 2.9990 2.9990 3.2290 3.2290 3.8233 3.8233 3.9996 3.9996 5.3324 5.3324 5.8081 5.8081 6.4067 6.4067 6.5241 6.5241 7.2476 7.2476 8.1548 8.1548 8.9211 8.9211 9.2454 9.2454 10.2620 10.2620 10.9748 10.9748 11.3518 11.3518 k = 0.0526 0.0400-0.0233 ( 5715 PWs) bands (ev): -32.6275 -32.6275 -32.6158 -32.6158 -13.9439 -13.9439 -13.8977 -13.8977 -13.5920 -13.5920 -13.5418 -13.5418 -13.5341 -13.5341 -13.4949 -13.4949 -6.4609 -6.4609 -3.5078 -3.5078 -3.2373 -3.2373 -1.9912 -1.9912 -1.5847 -1.5847 1.6499 1.6499 1.7602 1.7602 3.0139 3.0139 3.2285 3.2285 3.7796 3.7796 3.9996 3.9996 5.3338 5.3338 5.8364 5.8364 6.4032 6.4032 6.5206 6.5206 7.2563 7.2563 8.1727 8.1727 8.8987 8.8987 9.2117 9.2117 10.2299 10.2299 11.0081 11.0081 11.3772 11.3772 k = 0.0395 0.0300-0.0175 ( 5712 PWs) bands (ev): -32.6276 -32.6276 -32.6158 -32.6158 -13.9440 -13.9440 -13.8975 -13.8975 -13.5921 -13.5921 -13.5408 -13.5408 -13.5350 -13.5350 -13.4948 -13.4948 -6.4666 -6.4666 -3.4851 -3.4851 -3.2451 -3.2451 -1.9556 -1.9556 -1.6303 -1.6303 1.6636 1.6636 1.7445 1.7445 3.0248 3.0248 3.2330 3.2330 3.7416 3.7416 3.9997 3.9997 5.3347 5.3347 5.8593 5.8593 6.4000 6.4000 6.5178 6.5178 7.2633 7.2633 8.1870 8.1870 8.8804 8.8804 9.1854 9.1854 10.2042 10.2042 11.0378 11.0378 11.3902 11.3902 k = 0.0263 0.0200-0.0117 ( 5711 PWs) bands (ev): -32.6276 -32.6276 -32.6157 -32.6157 -13.9441 -13.9441 -13.8973 -13.8973 -13.5922 -13.5922 -13.5399 -13.5399 -13.5357 -13.5357 -13.4948 -13.4948 -6.4707 -6.4707 -3.4676 -3.4676 -3.2518 -3.2518 -1.9223 -1.9223 -1.6709 -1.6709 1.6764 1.6764 1.7302 1.7302 3.0317 3.0317 3.2399 3.2399 3.7115 3.7115 3.9999 3.9999 5.3353 5.3353 5.8762 5.8762 6.3974 6.3974 6.5157 6.5157 7.2685 7.2685 8.1975 8.1975 8.8670 8.8670 9.1666 9.1666 10.1853 10.1853 11.0620 11.0620 11.3947 11.3947 k = 0.0132 0.0100-0.0058 ( 5711 PWs) bands (ev): -32.6276 -32.6276 -32.6157 -32.6157 -13.9442 -13.9442 -13.8972 -13.8972 -13.5922 -13.5922 -13.5392 -13.5392 -13.5364 -13.5364 -13.4947 -13.4947 -6.4731 -6.4731 -3.4564 -3.4564 -3.2564 -3.2564 -1.8956 -1.8956 -1.7020 -1.7020 1.6884 1.6884 1.7173 1.7173 3.0353 3.0353 3.2461 3.2461 3.6920 3.6920 4.0001 4.0001 5.3356 5.3356 5.8866 5.8866 6.3958 6.3958 6.5145 6.5145 7.2716 7.2716 8.2039 8.2039 8.8588 8.8588 9.1553 9.1553 10.1739 10.1739 11.0779 11.0779 11.3951 11.3951 k = 0.0000 0.0000 0.0000 ( 5711 PWs) bands (ev): -32.6276 -32.6276 -32.6157 -32.6157 -13.9442 -13.9442 -13.8972 -13.8972 -13.5922 -13.5922 -13.5388 -13.5388 -13.5368 -13.5368 -13.4947 -13.4947 -6.4739 -6.4739 -3.4525 -3.4525 -3.2581 -3.2581 -1.8845 -1.8845 -1.7146 -1.7146 1.6961 1.6961 1.7092 1.7092 3.0364 3.0364 3.2485 3.2485 3.6852 3.6852 4.0002 4.0002 5.3357 5.3357 5.8901 5.8901 6.3953 6.3953 6.5141 6.5141 7.2727 7.2727 8.2061 8.2061 8.8560 8.8560 9.1515 9.1515 10.1700 10.1700 11.0836 11.0836 11.3948 11.3948 k = 0.0000 0.0000 0.0000 ( 5711 PWs) bands (ev): -32.6276 -32.6276 -32.6157 -32.6157 -13.9442 -13.9442 -13.8972 -13.8972 -13.5922 -13.5922 -13.5388 -13.5388 -13.5368 -13.5368 -13.4947 -13.4947 -6.4739 -6.4739 -3.4525 -3.4525 -3.2581 -3.2581 -1.8845 -1.8845 -1.7146 -1.7146 1.6961 1.6961 1.7092 1.7092 3.0364 3.0364 3.2485 3.2485 3.6852 3.6852 4.0002 4.0002 5.3357 5.3357 5.8901 5.8901 6.3953 6.3953 6.5141 6.5141 7.2727 7.2727 8.2061 8.2061 8.8560 8.8560 9.1515 9.1515 10.1700 10.1700 11.0836 11.0836 11.3948 11.3948 k = 0.0000 0.0000 0.0176 ( 5710 PWs) bands (ev): -32.6276 -32.6276 -32.6157 -32.6157 -13.9442 -13.9442 -13.8972 -13.8972 -13.5922 -13.5922 -13.5390 -13.5390 -13.5366 -13.5366 -13.4948 -13.4948 -6.4731 -6.4731 -3.4610 -3.4610 -3.2513 -3.2513 -1.9011 -1.9011 -1.6962 -1.6962 1.6675 1.6675 1.7387 1.7387 3.0333 3.0333 3.2487 3.2487 3.6875 3.6875 4.0031 4.0031 5.3363 5.3363 5.8862 5.8862 6.3924 6.3924 6.5149 6.5149 7.2706 7.2706 8.2016 8.2016 8.8603 8.8603 9.1572 9.1572 10.1676 10.1676 11.0820 11.0820 11.4003 11.4003 k = 0.0000 0.0000 0.0352 ( 5711 PWs) bands (ev): -32.6276 -32.6276 -32.6157 -32.6157 -13.9442 -13.9442 -13.8973 -13.8973 -13.5922 -13.5922 -13.5395 -13.5395 -13.5361 -13.5361 -13.4948 -13.4948 -6.4706 -6.4706 -3.4838 -3.4838 -3.2337 -3.2337 -1.9384 -1.9384 -1.6533 -1.6533 1.6342 1.6342 1.7745 1.7745 3.0240 3.0240 3.2494 3.2494 3.6942 3.6942 4.0117 4.0117 5.3379 5.3379 5.8748 5.8748 6.3839 6.3839 6.5174 6.5174 7.2645 7.2645 8.1883 8.1883 8.8731 8.8731 9.1741 9.1741 10.1605 10.1605 11.0780 11.0780 11.4151 11.4151 k = 0.0000 0.0000 0.0528 ( 5708 PWs) bands (ev): -32.6276 -32.6276 -32.6157 -32.6157 -13.9441 -13.9441 -13.8974 -13.8974 -13.5922 -13.5922 -13.5400 -13.5400 -13.5355 -13.5355 -13.4950 -13.4950 -6.4664 -6.4664 -3.5159 -3.5159 -3.2101 -3.2101 -1.9824 -1.9824 -1.6002 -1.6002 1.6016 1.6016 1.8113 1.8113 3.0091 3.0091 3.2512 3.2512 3.7046 3.7046 4.0258 4.0258 5.3405 5.3405 5.8561 5.8561 6.3698 6.3698 6.5215 6.5215 7.2547 7.2547 8.1661 8.1661 8.8946 8.8946 9.2012 9.2012 10.1494 10.1494 11.0734 11.0734 11.4338 11.4338 k = 0.0000 0.0000 0.0704 ( 5711 PWs) bands (ev): -32.6275 -32.6275 -32.6158 -32.6158 -13.9441 -13.9441 -13.8975 -13.8975 -13.5922 -13.5922 -13.5406 -13.5406 -13.5349 -13.5349 -13.4952 -13.4952 -6.4606 -6.4606 -3.5538 -3.5538 -3.1838 -3.1838 -2.0279 -2.0279 -1.5421 -1.5421 1.5700 1.5700 1.8486 1.8486 2.9892 2.9892 3.2546 3.2546 3.7176 3.7176 4.0451 4.0451 5.3441 5.3441 5.8310 5.8310 6.3500 6.3500 6.5272 6.5272 7.2417 7.2417 8.1355 8.1355 8.9248 8.9248 9.2374 9.2374 10.1352 10.1352 11.0701 11.0701 11.4493 11.4493 k = 0.0000 0.0000 0.0880 ( 5708 PWs) bands (ev): -32.6275 -32.6275 -32.6158 -32.6158 -13.9440 -13.9440 -13.8977 -13.8977 -13.5922 -13.5922 -13.5412 -13.5412 -13.5343 -13.5343 -13.4954 -13.4954 -6.4531 -6.4531 -3.5957 -3.5957 -3.1568 -3.1568 -2.0727 -2.0727 -1.4813 -1.4813 1.5393 1.5393 1.8863 1.8863 2.9654 2.9654 3.2601 3.2601 3.7323 3.7323 4.0689 4.0689 5.3487 5.3487 5.8004 5.8004 6.3247 6.3247 6.5341 6.5341 7.2262 7.2262 8.0968 8.0968 8.9632 8.9632 9.2815 9.2815 10.1192 10.1192 11.0688 11.0688 11.4536 11.4536 k = 0.0000 0.0000 0.1056 ( 5712 PWs) bands (ev): -32.6275 -32.6275 -32.6158 -32.6158 -13.9439 -13.9439 -13.8980 -13.8980 -13.5922 -13.5922 -13.5418 -13.5418 -13.5337 -13.5337 -13.4957 -13.4957 -6.4441 -6.4441 -3.6404 -3.6404 -3.1298 -3.1298 -2.1161 -2.1161 -1.4188 -1.4188 1.5094 1.5094 1.9242 1.9242 2.9388 2.9388 3.2679 3.2679 3.7480 3.7480 4.0965 4.0965 5.3541 5.3541 5.7654 5.7654 6.2939 6.2939 6.5422 6.5422 7.2090 7.2090 8.0505 8.0505 9.0094 9.0094 9.3322 9.3322 10.1023 10.1023 11.0699 11.0699 11.4410 11.4410 k = 0.0000 0.0000 0.1232 ( 5711 PWs) bands (ev): -32.6274 -32.6274 -32.6159 -32.6159 -13.9438 -13.9438 -13.8983 -13.8983 -13.5921 -13.5921 -13.5424 -13.5424 -13.5330 -13.5330 -13.4960 -13.4960 -6.4335 -6.4335 -3.6874 -3.6874 -3.1033 -3.1033 -2.1577 -2.1577 -1.3553 -1.3553 1.4805 1.4805 1.9620 1.9620 2.9105 2.9105 3.2782 3.2782 3.7645 3.7645 4.1269 4.1269 5.3600 5.3600 5.7273 5.7273 6.2579 6.2579 6.5511 6.5511 7.1908 7.1908 7.9974 7.9974 9.0623 9.0623 9.3883 9.3883 10.0857 10.0857 11.0728 11.0728 11.4116 11.4116 k = 0.0000 0.0000 0.1408 ( 5704 PWs) bands (ev): -32.6274 -32.6274 -32.6159 -32.6159 -13.9437 -13.9437 -13.8986 -13.8986 -13.5921 -13.5921 -13.5429 -13.5429 -13.5324 -13.5324 -13.4964 -13.4964 -6.4214 -6.4214 -3.7362 -3.7362 -3.0776 -3.0776 -2.1973 -2.1973 -1.2911 -1.2911 1.4524 1.4524 1.9995 1.9995 2.8814 2.8814 3.2909 3.2909 3.7814 3.7814 4.1593 4.1593 5.3660 5.3660 5.6875 5.6875 6.2170 6.2170 6.5605 6.5605 7.1725 7.1725 7.9383 7.9383 9.1209 9.1209 9.4484 9.4484 10.0703 10.0703 11.0769 11.0769 11.3702 11.3702 k = 0.0000 0.0000 0.1584 ( 5700 PWs) bands (ev): -32.6273 -32.6273 -32.6160 -32.6160 -13.9435 -13.9435 -13.8989 -13.8989 -13.5920 -13.5920 -13.5435 -13.5435 -13.5317 -13.5317 -13.4968 -13.4968 -6.4079 -6.4079 -3.7864 -3.7864 -3.0527 -3.0527 -2.2349 -2.2349 -1.2266 -1.2266 1.4250 1.4250 2.0364 2.0364 2.8524 2.8524 3.3063 3.3063 3.7988 3.7988 4.1927 4.1927 5.3712 5.3712 5.6480 5.6480 6.1714 6.1714 6.5699 6.5699 7.1547 7.1547 7.8742 7.8742 9.1838 9.1838 9.5114 9.5114 10.0570 10.0570 11.0812 11.0812 11.3226 11.3226 k = 0.0000 0.0000 0.1760 ( 5699 PWs) bands (ev): -32.6273 -32.6273 -32.6160 -32.6160 -13.9434 -13.9434 -13.8993 -13.8993 -13.5920 -13.5920 -13.5440 -13.5440 -13.5311 -13.5311 -13.4973 -13.4973 -6.3931 -6.3931 -3.8376 -3.8376 -3.0287 -3.0287 -2.2703 -2.2703 -1.1621 -1.1621 1.3984 1.3984 2.0724 2.0724 2.8242 2.8242 3.3241 3.3241 3.8167 3.8167 4.2262 4.2262 5.3740 5.3740 5.6112 5.6112 6.1215 6.1215 6.5788 6.5788 7.1380 7.1380 7.8061 7.8061 9.2498 9.2498 9.5760 9.5760 10.0466 10.0466 11.0849 11.0849 11.2740 11.2740 k = 0.0000 0.0000 0.1936 ( 5697 PWs) bands (ev): -32.6272 -32.6272 -32.6161 -32.6161 -13.9432 -13.9432 -13.8997 -13.8997 -13.5919 -13.5919 -13.5445 -13.5445 -13.5305 -13.5305 -13.4977 -13.4977 -6.3769 -6.3769 -3.8897 -3.8897 -3.0057 -3.0057 -2.3038 -2.3038 -1.0980 -1.0980 1.3724 1.3724 2.1072 2.1072 2.7974 2.7974 3.3445 3.3445 3.8353 3.8353 4.2590 4.2590 5.3720 5.3720 5.5806 5.5806 6.0679 6.0679 6.5864 6.5864 7.1231 7.1231 7.7352 7.7352 9.3171 9.3171 9.6404 9.6404 10.0405 10.0405 11.0871 11.0871 11.2284 11.2284 k = 0.0000 0.0000 0.2112 ( 5697 PWs) bands (ev): -32.6271 -32.6271 -32.6161 -32.6161 -13.9431 -13.9431 -13.9001 -13.9001 -13.5919 -13.5919 -13.5450 -13.5450 -13.5299 -13.5299 -13.4983 -13.4983 -6.3596 -6.3596 -3.9423 -3.9423 -2.9835 -2.9835 -2.3352 -2.3352 -1.0346 -1.0346 1.3469 1.3469 2.1405 2.1405 2.7725 2.7725 3.3671 3.3671 3.8546 3.8546 4.2907 4.2907 5.3620 5.3620 5.5600 5.5600 6.0110 6.0110 6.5918 6.5918 7.1101 7.1101 7.6628 7.6628 9.3842 9.3842 9.7024 9.7024 10.0405 10.0405 11.0872 11.0872 11.1888 11.1888 k = 0.0000 0.0000 0.2288 ( 5699 PWs) bands (ev): -32.6271 -32.6271 -32.6162 -32.6162 -13.9429 -13.9429 -13.9006 -13.9006 -13.5919 -13.5919 -13.5455 -13.5455 -13.5293 -13.5293 -13.4988 -13.4988 -6.3412 -6.3412 -3.9950 -3.9950 -2.9622 -2.9622 -2.3648 -2.3648 -0.9720 -0.9720 1.3220 1.3220 2.1720 2.1720 2.7498 2.7498 3.3919 3.3919 3.8750 3.8750 4.3205 4.3205 5.3426 5.3426 5.5516 5.5516 5.9514 5.9514 6.5941 6.5941 7.0993 7.0993 7.5904 7.5904 9.4492 9.4492 9.7586 9.7586 10.0498 10.0498 11.0852 11.0852 11.1574 11.1574 k = 0.0000 0.0000 0.2464 ( 5696 PWs) bands (ev): -32.6270 -32.6270 -32.6163 -32.6163 -13.9427 -13.9427 -13.9011 -13.9011 -13.5918 -13.5918 -13.5459 -13.5459 -13.5287 -13.5287 -13.4994 -13.4994 -6.3218 -6.3218 -4.0477 -4.0477 -2.9418 -2.9418 -2.3926 -2.3926 -0.9107 -0.9107 1.2976 1.2976 2.2013 2.2013 2.7297 2.7297 3.4186 3.4186 3.8965 3.8965 4.3481 4.3481 5.3157 5.3157 5.5540 5.5540 5.8895 5.8895 6.5920 6.5920 7.0907 7.0907 7.5200 7.5200 9.5100 9.5100 9.8054 9.8054 10.0725 10.0725 11.0824 11.0824 11.1348 11.1348 k = 0.0000 0.0000 0.2640 ( 5705 PWs) bands (ev): -32.6269 -32.6269 -32.6163 -32.6163 -13.9425 -13.9425 -13.9016 -13.9016 -13.5918 -13.5918 -13.5463 -13.5463 -13.5282 -13.5282 -13.4999 -13.4999 -6.3017 -6.3017 -4.1000 -4.1000 -2.9221 -2.9221 -2.4187 -2.4187 -0.8508 -0.8508 1.2737 1.2737 2.2282 2.2282 2.7126 2.7126 3.4467 3.4467 3.9194 3.9194 4.3734 4.3734 5.2848 5.2848 5.5642 5.5642 5.8262 5.8262 6.5842 6.5842 7.0838 7.0838 7.4535 7.4535 9.5642 9.5642 9.8412 9.8412 10.1111 10.1111 11.0813 11.0813 11.1196 11.1196 k = 0.0000 0.0000 0.2816 ( 5702 PWs) bands (ev): -32.6268 -32.6268 -32.6164 -32.6164 -13.9423 -13.9423 -13.9020 -13.9020 -13.5917 -13.5917 -13.5467 -13.5467 -13.5276 -13.5276 -13.5005 -13.5005 -6.2808 -6.2808 -4.1515 -4.1515 -2.9032 -2.9032 -2.4432 -2.4432 -0.7926 -0.7926 1.2503 1.2503 2.2523 2.2523 2.6985 2.6985 3.4757 3.4757 3.9438 3.9438 4.3964 4.3964 5.2531 5.2531 5.5791 5.5791 5.7621 5.7621 6.5694 6.5694 7.0779 7.0779 7.3933 7.3933 9.6097 9.6097 9.8689 9.8689 10.1638 10.1638 11.0835 11.0835 11.1115 11.1115 k = 0.0000 0.0000 0.2992 ( 5706 PWs) bands (ev): -32.6268 -32.6268 -32.6165 -32.6165 -13.9421 -13.9421 -13.9025 -13.9025 -13.5917 -13.5917 -13.5471 -13.5471 -13.5271 -13.5271 -13.5011 -13.5011 -6.2595 -6.2595 -4.2020 -4.2020 -2.8850 -2.8850 -2.4663 -2.4663 -0.7365 -0.7365 1.2274 1.2274 2.2736 2.2736 2.6877 2.6877 3.5051 3.5051 3.9697 3.9697 4.4172 4.4172 5.2225 5.2225 5.5959 5.5959 5.6989 5.6989 6.5463 6.5463 7.0720 7.0720 7.3418 7.3418 9.6450 9.6450 9.8937 9.8937 10.2264 10.2264 11.0841 11.0841 11.1158 11.1158 k = 0.0000 0.0000 0.3168 ( 5706 PWs) bands (ev): -32.6267 -32.6267 -32.6165 -32.6165 -13.9419 -13.9419 -13.9030 -13.9030 -13.5917 -13.5917 -13.5474 -13.5474 -13.5266 -13.5266 -13.5017 -13.5017 -6.2380 -6.2380 -4.2511 -4.2511 -2.8675 -2.8675 -2.4881 -2.4881 -0.6827 -0.6827 1.2051 1.2051 2.2918 2.2918 2.6800 2.6800 3.5343 3.5343 3.9969 3.9969 4.4363 4.4363 5.1944 5.1944 5.6028 5.6028 5.6475 5.6475 6.5142 6.5142 7.0651 7.0651 7.3010 7.3010 9.6708 9.6708 9.9191 9.9191 10.2948 10.2948 11.0793 11.0793 11.1358 11.1358 k = 0.0000 0.0000 0.3344 ( 5702 PWs) bands (ev): -32.6266 -32.6266 -32.6166 -32.6166 -13.9417 -13.9417 -13.9035 -13.9035 -13.5916 -13.5916 -13.5477 -13.5477 -13.5261 -13.5261 -13.5022 -13.5022 -6.2164 -6.2164 -4.2984 -4.2984 -2.8506 -2.8506 -2.5086 -2.5086 -0.6315 -0.6315 1.1835 1.1835 2.3070 2.3070 2.6755 2.6755 3.5628 3.5628 4.0250 4.0250 4.4545 4.4545 5.1694 5.1694 5.5574 5.5574 5.6500 5.6500 6.4730 6.4730 7.0567 7.0567 7.2715 7.2715 9.6899 9.6899 9.9454 9.9454 10.3660 10.3660 11.0732 11.0732 11.1665 11.1665 k = 0.0000 0.0000 0.3520 ( 5704 PWs) bands (ev): -32.6266 -32.6266 -32.6167 -32.6167 -13.9415 -13.9415 -13.9039 -13.9039 -13.5916 -13.5916 -13.5480 -13.5480 -13.5256 -13.5256 -13.5028 -13.5028 -6.1951 -6.1951 -4.3437 -4.3437 -2.8343 -2.8343 -2.5280 -2.5280 -0.5831 -0.5831 1.1627 1.1627 2.3193 2.3193 2.6738 2.6738 3.5900 3.5900 4.0534 4.0534 4.4729 4.4729 5.1480 5.1480 5.4959 5.4959 5.6701 5.6701 6.4234 6.4234 7.0475 7.0475 7.2523 7.2523 9.7059 9.7059 9.9715 9.9715 10.4380 10.4380 11.0670 11.0670 11.2040 11.2040 k = 0.0000 0.0000 0.3696 ( 5704 PWs) bands (ev): -32.6265 -32.6265 -32.6167 -32.6167 -13.9413 -13.9413 -13.9043 -13.9043 -13.5916 -13.5916 -13.5483 -13.5483 -13.5252 -13.5252 -13.5033 -13.5033 -6.1742 -6.1742 -4.3864 -4.3864 -2.8185 -2.8185 -2.5463 -2.5463 -0.5380 -0.5380 1.1429 1.1429 2.3290 2.3290 2.6746 2.6746 3.6154 3.6154 4.0809 4.0809 4.4929 4.4929 5.1301 5.1301 5.4342 5.4342 5.6918 5.6918 6.3671 6.3671 7.0386 7.0386 7.2407 7.2407 9.7226 9.7226 9.9959 9.9959 10.5092 10.5092 11.0596 11.0596 11.2450 11.2450 k = 0.0000 0.0000 0.3871 ( 5705 PWs) bands (ev): -32.6264 -32.6264 -32.6168 -32.6168 -13.9412 -13.9412 -13.9047 -13.9047 -13.5915 -13.5915 -13.5485 -13.5485 -13.5248 -13.5248 -13.5038 -13.5038 -6.1542 -6.1542 -4.4263 -4.4263 -2.8033 -2.8033 -2.5638 -2.5638 -0.4964 -0.4964 1.1242 1.1242 2.3363 2.3363 2.6772 2.6772 3.6389 3.6389 4.1062 4.1062 4.5161 4.5161 5.1153 5.1153 5.3743 5.3743 5.7134 5.7134 6.3061 6.3061 7.0313 7.0313 7.2339 7.2339 9.7426 9.7426 10.0177 10.0177 10.5779 10.5779 11.0432 11.0432 11.2051 11.2051 k = 0.0000 0.0000 0.4047 ( 5707 PWs) bands (ev): -32.6264 -32.6264 -32.6169 -32.6169 -13.9410 -13.9410 -13.9051 -13.9051 -13.5915 -13.5915 -13.5487 -13.5487 -13.5245 -13.5245 -13.5042 -13.5042 -6.1353 -6.1353 -4.4628 -4.4628 -2.7885 -2.7885 -2.5804 -2.5804 -0.4587 -0.4587 1.1069 1.1069 2.3417 2.3417 2.6812 2.6812 3.6601 3.6601 4.1280 4.1280 4.5438 4.5438 5.1024 5.1024 5.3177 5.3177 5.7338 5.7338 6.2431 6.2431 7.0262 7.0262 7.2296 7.2296 9.7678 9.7678 10.0366 10.0366 10.6421 10.6421 10.9934 10.9934 11.1446 11.1446 k = 0.0000 0.0000 0.4223 ( 5703 PWs) bands (ev): -32.6263 -32.6263 -32.6169 -32.6169 -13.9408 -13.9408 -13.9055 -13.9055 -13.5915 -13.5915 -13.5489 -13.5489 -13.5241 -13.5241 -13.5046 -13.5046 -6.1180 -6.1180 -4.4956 -4.4956 -2.7741 -2.7741 -2.5962 -2.5962 -0.4251 -0.4251 1.0913 1.0913 2.3456 2.3456 2.6860 2.6860 3.6789 3.6789 4.1455 4.1455 4.5768 4.5768 5.0894 5.0894 5.2663 5.2663 5.7526 5.7526 6.1807 6.1807 7.0234 7.0234 7.2263 7.2263 9.7991 9.7991 10.0528 10.0528 10.6998 10.6998 10.9035 10.9035 11.1295 11.1295 k = 0.0000 0.0000 0.4399 ( 5705 PWs) bands (ev): -32.6263 -32.6263 -32.6169 -32.6169 -13.9407 -13.9407 -13.9058 -13.9058 -13.5915 -13.5915 -13.5490 -13.5490 -13.5238 -13.5238 -13.5050 -13.5050 -6.1025 -6.1025 -4.5243 -4.5243 -2.7601 -2.7601 -2.6114 -2.6114 -0.3959 -0.3959 1.0774 1.0774 2.3483 2.3483 2.6910 2.6910 3.6952 3.6952 4.1584 4.1584 4.6154 4.6154 5.0724 5.0724 5.2235 5.2235 5.7690 5.7690 6.1215 6.1215 7.0226 7.0226 7.2231 7.2231 9.8364 9.8364 10.0670 10.0670 10.7451 10.7451 10.8048 10.8048 11.1336 11.1336 k = 0.0000 0.0000 0.4575 ( 5700 PWs) bands (ev): -32.6262 -32.6262 -32.6170 -32.6170 -13.9406 -13.9406 -13.9060 -13.9060 -13.5915 -13.5915 -13.5491 -13.5491 -13.5236 -13.5236 -13.5053 -13.5053 -6.0892 -6.0892 -4.5484 -4.5484 -2.7467 -2.7467 -2.6257 -2.6257 -0.3716 -0.3716 1.0657 1.0657 2.3501 2.3501 2.6957 2.6957 3.7088 3.7088 4.1671 4.1671 4.6587 4.6587 5.0464 5.0464 5.1937 5.1937 5.7825 5.7825 6.0682 6.0682 7.0232 7.0232 7.2199 7.2199 9.8787 9.8787 10.0804 10.0804 10.6900 10.6900 10.7969 10.7969 11.1441 11.1441 k = 0.0000 0.0000 0.4751 ( 5707 PWs) bands (ev): -32.6262 -32.6262 -32.6170 -32.6170 -13.9405 -13.9405 -13.9062 -13.9062 -13.5915 -13.5915 -13.5492 -13.5492 -13.5234 -13.5234 -13.5055 -13.5055 -6.0785 -6.0785 -4.5676 -4.5676 -2.7338 -2.7338 -2.6393 -2.6393 -0.3524 -0.3524 1.0563 1.0563 2.3513 2.3513 2.6998 2.6998 3.7197 3.7197 4.1725 4.1725 4.7057 4.7057 5.0098 5.0098 5.1774 5.1774 5.7927 5.7927 6.0237 6.0237 7.0247 7.0247 7.2167 7.2167 9.9224 9.9224 10.0950 10.0950 10.5934 10.5934 10.8260 10.8260 11.1558 11.1558 k = 0.0000 0.0000 0.4927 ( 5703 PWs) bands (ev): -32.6262 -32.6262 -32.6170 -32.6170 -13.9404 -13.9404 -13.9063 -13.9063 -13.5914 -13.5914 -13.5493 -13.5493 -13.5232 -13.5232 -13.5057 -13.5057 -6.0706 -6.0706 -4.5816 -4.5816 -2.7220 -2.7220 -2.6516 -2.6516 -0.3384 -0.3384 1.0494 1.0494 2.3520 2.3520 2.7030 2.7030 3.7276 3.7276 4.1755 4.1755 4.7547 4.7547 4.9660 4.9660 5.1706 5.1706 5.7994 5.7994 5.9902 5.9902 7.0263 7.0263 7.2140 7.2140 9.9615 9.9615 10.1138 10.1138 10.5064 10.5064 10.8470 10.8470 11.1656 11.1656 k = 0.0000 0.0000 0.5103 ( 5703 PWs) bands (ev): -32.6262 -32.6262 -32.6170 -32.6170 -13.9404 -13.9404 -13.9064 -13.9064 -13.5914 -13.5914 -13.5494 -13.5494 -13.5231 -13.5231 -13.5058 -13.5058 -6.0658 -6.0658 -4.5901 -4.5901 -2.7124 -2.7124 -2.6615 -2.6615 -0.3300 -0.3300 1.0452 1.0452 2.3524 2.3524 2.7049 2.7049 3.7324 3.7324 4.1769 4.1769 4.8029 4.8029 4.9203 4.9203 5.1683 5.1683 5.8029 5.8029 5.9697 5.9697 7.0276 7.0276 7.2121 7.2121 9.9877 9.9877 10.1362 10.1362 10.4398 10.4398 10.8593 10.8593 11.1719 11.1719 k = 0.0000 0.0000 0.5279 ( 5704 PWs) bands (ev): -32.6262 -32.6262 -32.6170 -32.6170 -13.9404 -13.9404 -13.9065 -13.9065 -13.5914 -13.5914 -13.5494 -13.5494 -13.5231 -13.5231 -13.5059 -13.5059 -6.0642 -6.0642 -4.5929 -4.5929 -2.7082 -2.7082 -2.6657 -2.6657 -0.3272 -0.3272 1.0438 1.0438 2.3526 2.3526 2.7056 2.7056 3.7340 3.7340 4.1774 4.1774 4.8338 4.8338 4.8901 4.8901 5.1678 5.1678 5.8040 5.8040 5.9628 5.9628 7.0281 7.0281 7.2114 7.2114 9.9965 9.9965 10.1482 10.1482 10.4129 10.4129 10.8633 10.8633 11.1740 11.1740 k = 0.5000-0.1360 0.4748 ( 5704 PWs) bands (ev): -32.6233 -32.6233 -32.6198 -32.6198 -13.9338 -13.9338 -13.9204 -13.9204 -13.5827 -13.5827 -13.5690 -13.5690 -13.5112 -13.5112 -13.5106 -13.5106 -5.6263 -5.6263 -4.7765 -4.7765 -4.0403 -4.0403 -0.5779 -0.5779 -0.5721 -0.5721 -0.4539 -0.4539 2.2824 2.2824 3.0393 3.0393 4.4112 4.4112 4.6653 4.6653 4.9868 4.9868 5.0949 5.0949 5.6853 5.6853 5.7070 5.7070 6.4476 6.4476 7.1072 7.1072 7.3494 7.3494 8.5949 8.5949 9.3054 9.3054 9.4417 9.4417 10.0427 10.0427 10.1954 10.1954 k = 0.4875-0.1326 0.4629 ( 5704 PWs) bands (ev): -32.6234 -32.6234 -32.6198 -32.6198 -13.9339 -13.9339 -13.9204 -13.9204 -13.5827 -13.5827 -13.5690 -13.5690 -13.5114 -13.5114 -13.5104 -13.5104 -5.6292 -5.6292 -4.7730 -4.7730 -4.0397 -4.0397 -0.6025 -0.6025 -0.5674 -0.5674 -0.4350 -0.4350 2.2831 2.2831 3.0405 3.0405 4.4017 4.4017 4.6688 4.6688 4.9672 4.9672 5.1121 5.1121 5.6875 5.6875 5.7087 5.7087 6.4458 6.4458 7.1068 7.1068 7.3505 7.3505 8.5998 8.5998 9.3027 9.3027 9.4459 9.4459 10.0395 10.0395 10.2036 10.2036 k = 0.4750-0.1292 0.4511 ( 5699 PWs) bands (ev): -32.6234 -32.6234 -32.6197 -32.6197 -13.9340 -13.9340 -13.9202 -13.9202 -13.5827 -13.5827 -13.5688 -13.5688 -13.5117 -13.5117 -13.5101 -13.5101 -5.6376 -5.6376 -4.7626 -4.7626 -4.0377 -4.0377 -0.6436 -0.6436 -0.5702 -0.5702 -0.3936 -0.3936 2.2853 2.2853 3.0440 3.0440 4.3756 4.3756 4.6764 4.6764 4.9262 4.9262 5.1462 5.1462 5.6915 5.6915 5.7161 5.7161 6.4406 6.4406 7.1054 7.1054 7.3538 7.3538 8.6143 8.6143 9.2958 9.2958 9.4575 9.4575 10.0315 10.0315 10.2263 10.2263 k = 0.4625-0.1258 0.4392 ( 5695 PWs) bands (ev): -32.6235 -32.6235 -32.6197 -32.6197 -13.9341 -13.9341 -13.9199 -13.9199 -13.5829 -13.5829 -13.5686 -13.5686 -13.5121 -13.5121 -13.5097 -13.5097 -5.6512 -5.6512 -4.7458 -4.7458 -4.0345 -4.0345 -0.6898 -0.6898 -0.5776 -0.5776 -0.3444 -0.3444 2.2888 2.2888 3.0499 3.0499 4.3378 4.3378 4.6822 4.6822 4.8790 4.8790 5.1835 5.1835 5.6932 5.6932 5.7333 5.7333 6.4321 6.4321 7.1032 7.1032 7.3591 7.3591 8.6379 8.6379 9.2865 9.2865 9.4749 9.4749 10.0219 10.0219 10.2601 10.2601 k = 0.4500-0.1224 0.4273 ( 5698 PWs) bands (ev): -32.6235 -32.6235 -32.6196 -32.6196 -13.9343 -13.9343 -13.9196 -13.9196 -13.5830 -13.5830 -13.5682 -13.5682 -13.5126 -13.5126 -13.5094 -13.5094 -5.6693 -5.6693 -4.7231 -4.7231 -4.0300 -4.0300 -0.7373 -0.7373 -0.5884 -0.5884 -0.2919 -0.2919 2.2936 2.2936 3.0579 3.0579 4.2928 4.2928 4.6805 4.6805 4.8311 4.8311 5.2207 5.2207 5.6925 5.6925 5.7600 5.7600 6.4205 6.4205 7.1002 7.1002 7.3666 7.3666 8.6701 8.6701 9.2769 9.2769 9.4969 9.4969 10.0124 10.0124 10.3027 10.3027 k = 0.4375-0.1190 0.4155 ( 5698 PWs) bands (ev): -32.6237 -32.6237 -32.6195 -32.6195 -13.9346 -13.9346 -13.9191 -13.9191 -13.5833 -13.5833 -13.5678 -13.5678 -13.5130 -13.5130 -13.5090 -13.5090 -5.6913 -5.6913 -4.6952 -4.6952 -4.0242 -4.0242 -0.7851 -0.7851 -0.6024 -0.6024 -0.2377 -0.2377 2.2997 2.2997 3.0680 3.0680 4.2432 4.2432 4.6664 4.6664 4.7863 4.7863 5.2575 5.2575 5.6902 5.6902 5.7945 5.7945 6.4060 6.4060 7.0964 7.0964 7.3760 7.3760 8.7097 8.7097 9.2686 9.2686 9.5228 9.5228 10.0036 10.0036 10.3526 10.3526 k = 0.4250-0.1156 0.4036 ( 5698 PWs) bands (ev): -32.6238 -32.6238 -32.6193 -32.6193 -13.9349 -13.9349 -13.9186 -13.9186 -13.5835 -13.5835 -13.5673 -13.5673 -13.5134 -13.5134 -13.5087 -13.5087 -5.7166 -5.7166 -4.6628 -4.6628 -4.0172 -4.0172 -0.8324 -0.8324 -0.6195 -0.6195 -0.1824 -0.1824 2.3070 2.3070 3.0799 3.0799 4.1910 4.1910 4.6372 4.6372 4.7467 4.7467 5.2940 5.2940 5.6866 5.6866 5.8356 5.8356 6.3890 6.3890 7.0918 7.0918 7.3874 7.3874 8.7554 8.7554 9.2631 9.2631 9.5524 9.5524 9.9949 9.9949 10.4093 10.4093 k = 0.4125-0.1122 0.3917 ( 5704 PWs) bands (ev): -32.6239 -32.6239 -32.6192 -32.6192 -13.9353 -13.9353 -13.9180 -13.9180 -13.5838 -13.5838 -13.5668 -13.5668 -13.5139 -13.5139 -13.5083 -13.5083 -5.7443 -5.7443 -4.6267 -4.6267 -4.0089 -4.0089 -0.8792 -0.8792 -0.6395 -0.6395 -0.1264 -0.1264 2.3153 2.3153 3.0936 3.0936 4.1374 4.1374 4.5951 4.5951 4.7107 4.7107 5.3305 5.3305 5.6819 5.6819 5.8819 5.8819 6.3698 6.3698 7.0865 7.0865 7.4006 7.4006 8.8055 8.8055 9.2620 9.2620 9.5858 9.5858 9.9858 9.9858 10.4723 10.4723 k = 0.4000-0.1088 0.3798 ( 5701 PWs) bands (ev): -32.6241 -32.6241 -32.6191 -32.6191 -13.9357 -13.9357 -13.9173 -13.9173 -13.5841 -13.5841 -13.5662 -13.5662 -13.5144 -13.5144 -13.5079 -13.5079 -5.7740 -5.7740 -4.5873 -4.5873 -3.9994 -3.9994 -0.9252 -0.9252 -0.6622 -0.6622 -0.0699 -0.0699 2.3246 2.3246 3.1088 3.1088 4.0832 4.0832 4.5456 4.5456 4.6742 4.6742 5.3669 5.3669 5.6761 5.6761 5.9319 5.9319 6.3488 6.3488 7.0805 7.0805 7.4157 7.4157 8.8579 8.8579 9.2671 9.2671 9.6232 9.6232 9.9756 9.9756 10.5410 10.5410 k = 0.3875-0.1054 0.3680 ( 5702 PWs) bands (ev): -32.6242 -32.6242 -32.6189 -32.6189 -13.9360 -13.9360 -13.9166 -13.9166 -13.5844 -13.5844 -13.5655 -13.5655 -13.5149 -13.5149 -13.5075 -13.5075 -5.8052 -5.8052 -4.5451 -4.5451 -3.9887 -3.9887 -0.9704 -0.9704 -0.6876 -0.6876 -0.0130 -0.0130 2.3346 2.3346 3.1251 3.1251 4.0290 4.0290 4.4925 4.4925 4.6348 4.6348 5.4031 5.4031 5.6693 5.6693 5.9845 5.9845 6.3264 6.3264 7.0739 7.0739 7.4327 7.4327 8.9098 8.9098 9.2804 9.2804 9.6645 9.6645 9.9640 9.9640 10.6147 10.6147 k = 0.3750-0.1020 0.3561 ( 5710 PWs) bands (ev): -32.6244 -32.6244 -32.6188 -32.6188 -13.9365 -13.9365 -13.9159 -13.9159 -13.5847 -13.5847 -13.5648 -13.5648 -13.5155 -13.5155 -13.5071 -13.5071 -5.8374 -5.8374 -4.5007 -4.5007 -3.9767 -3.9767 -1.0148 -1.0148 -0.7155 -0.7155 0.0441 0.0441 2.3451 2.3451 3.1424 3.1424 3.9753 3.9753 4.4380 4.4380 4.5920 4.5920 5.4387 5.4387 5.6617 5.6617 6.0382 6.0382 6.3030 6.3030 7.0670 7.0670 7.4515 7.4515 8.9583 8.9583 9.3039 9.3039 9.7094 9.7094 9.9514 9.9514 10.6922 10.6922 k = 0.3625-0.0986 0.3442 ( 5707 PWs) bands (ev): -32.6245 -32.6245 -32.6186 -32.6186 -13.9369 -13.9369 -13.9151 -13.9151 -13.5851 -13.5851 -13.5640 -13.5640 -13.5160 -13.5160 -13.5067 -13.5067 -5.8702 -5.8702 -4.4544 -4.4544 -3.9636 -3.9636 -1.0583 -1.0583 -0.7457 -0.7457 0.1015 0.1015 2.3560 2.3560 3.1602 3.1602 3.9223 3.9223 4.3833 4.3833 4.5462 4.5462 5.4734 5.4734 5.6532 5.6532 6.0919 6.0919 6.2791 6.2791 7.0600 7.0600 7.4723 7.4723 9.0011 9.0011 9.3387 9.3387 9.7568 9.7568 9.9394 9.9394 10.7719 10.7719 k = 0.3500-0.0952 0.3324 ( 5707 PWs) bands (ev): -32.6247 -32.6247 -32.6185 -32.6185 -13.9373 -13.9373 -13.9143 -13.9143 -13.5854 -13.5854 -13.5632 -13.5632 -13.5166 -13.5166 -13.5062 -13.5062 -5.9034 -5.9034 -4.4065 -4.4065 -3.9493 -3.9493 -1.1009 -1.1009 -0.7781 -0.7781 0.1589 0.1589 2.3669 2.3669 3.1783 3.1783 3.8702 3.8702 4.3292 4.3292 4.4983 4.4983 5.5071 5.5071 5.6442 5.6442 6.1440 6.1440 6.2555 6.2555 7.0536 7.0536 7.4949 7.4949 9.0372 9.0372 9.3836 9.3836 9.8035 9.8035 9.9326 9.9326 10.8514 10.8514 k = 0.3375-0.0918 0.3205 ( 5706 PWs) bands (ev): -32.6249 -32.6249 -32.6183 -32.6183 -13.9377 -13.9377 -13.9135 -13.9135 -13.5858 -13.5858 -13.5624 -13.5624 -13.5172 -13.5172 -13.5058 -13.5058 -5.9368 -5.9368 -4.3573 -4.3573 -3.9339 -3.9339 -1.1426 -1.1426 -0.8126 -0.8126 0.2163 0.2163 2.3775 2.3775 3.1964 3.1964 3.8193 3.8193 4.2760 4.2760 4.4494 4.4494 5.5395 5.5395 5.6348 5.6348 6.1906 6.1906 6.2351 6.2351 7.0482 7.0482 7.5193 7.5193 9.0676 9.0676 9.4343 9.4343 9.8405 9.8405 9.9426 9.9426 10.9265 10.9265 k = 0.3250-0.0884 0.3086 ( 5705 PWs) bands (ev): -32.6250 -32.6250 -32.6182 -32.6182 -13.9381 -13.9381 -13.9126 -13.9126 -13.5861 -13.5861 -13.5616 -13.5616 -13.5178 -13.5178 -13.5053 -13.5053 -5.9700 -5.9700 -4.3070 -4.3070 -3.9174 -3.9174 -1.1835 -1.1835 -0.8489 -0.8489 0.2737 0.2737 2.3876 2.3876 3.2139 3.2139 3.7695 3.7695 4.2240 4.2240 4.4003 4.4003 5.5701 5.5701 5.6257 5.6257 6.1987 6.1987 6.2500 6.2500 7.0447 7.0447 7.5455 7.5455 9.0938 9.0938 9.4840 9.4840 9.8605 9.8605 9.9810 9.9810 10.9909 10.9909 k = 0.3125-0.0850 0.2968 ( 5704 PWs) bands (ev): -32.6252 -32.6252 -32.6180 -32.6180 -13.9385 -13.9385 -13.9118 -13.9118 -13.5865 -13.5865 -13.5607 -13.5607 -13.5185 -13.5185 -13.5048 -13.5048 -6.0030 -6.0030 -4.2558 -4.2558 -3.8999 -3.8999 -1.2235 -1.2235 -0.8868 -0.8868 0.3309 0.3309 2.3968 2.3968 3.2306 3.2306 3.7210 3.7210 4.1736 4.1736 4.3522 4.3522 5.5946 5.5946 5.6214 5.6214 6.1778 6.1778 6.2899 6.2899 7.0439 7.0439 7.5733 7.5733 9.1173 9.1173 9.5240 9.5240 9.8792 9.8792 10.0388 10.0388 11.0350 11.0350 k = 0.3000-0.0816 0.2849 ( 5708 PWs) bands (ev): -32.6253 -32.6253 -32.6178 -32.6178 -13.9389 -13.9389 -13.9109 -13.9109 -13.5868 -13.5868 -13.5598 -13.5598 -13.5191 -13.5191 -13.5043 -13.5043 -6.0355 -6.0355 -4.2040 -4.2040 -3.8813 -3.8813 -1.2627 -1.2627 -0.9262 -0.9262 0.3880 0.3880 2.4048 2.4048 3.2460 3.2460 3.6739 3.6739 4.1250 4.1250 4.3059 4.3059 5.5957 5.5957 5.6394 5.6394 6.1554 6.1554 6.3265 6.3265 7.0467 7.0467 7.6027 7.6027 9.1385 9.1385 9.5474 9.5474 9.9127 9.9127 10.1055 10.1055 11.0504 11.0504 k = 0.2875-0.0782 0.2730 ( 5710 PWs) bands (ev): -32.6255 -32.6255 -32.6177 -32.6177 -13.9392 -13.9392 -13.9100 -13.9100 -13.5872 -13.5872 -13.5589 -13.5589 -13.5198 -13.5198 -13.5038 -13.5038 -6.0675 -6.0675 -4.1517 -4.1517 -3.8618 -3.8618 -1.3011 -1.3011 -0.9670 -0.9670 0.4449 0.4449 2.4110 2.4110 3.2597 3.2597 3.6281 3.6281 4.0783 4.0783 4.2621 4.2621 5.5860 5.5860 5.6675 5.6675 6.1333 6.1333 6.3574 6.3574 7.0538 7.0538 7.6333 7.6333 9.1571 9.1571 9.5540 9.5540 9.9644 9.9644 10.1769 10.1769 11.0365 11.0365 k = 0.2750-0.0748 0.2611 ( 5716 PWs) bands (ev): -32.6257 -32.6257 -32.6175 -32.6175 -13.9396 -13.9396 -13.9092 -13.9092 -13.5875 -13.5875 -13.5579 -13.5579 -13.5205 -13.5205 -13.5033 -13.5033 -6.0988 -6.0988 -4.0991 -4.0991 -3.8414 -3.8414 -1.3388 -1.3388 -1.0088 -1.0088 0.5016 0.5016 2.4153 2.4153 3.2712 3.2712 3.5838 3.5838 4.0338 4.0338 4.2216 4.2216 5.5744 5.5744 5.6969 5.6969 6.1121 6.1121 6.3820 6.3820 7.0652 7.0652 7.6650 7.6650 9.1721 9.1721 9.5500 9.5500 10.0298 10.0298 10.2508 10.2508 10.9997 10.9997 k = 0.2625-0.0714 0.2493 ( 5713 PWs) bands (ev): -32.6258 -32.6258 -32.6174 -32.6174 -13.9400 -13.9400 -13.9083 -13.9083 -13.5878 -13.5878 -13.5570 -13.5570 -13.5212 -13.5212 -13.5028 -13.5028 -6.1293 -6.1293 -4.0465 -4.0465 -3.8200 -3.8200 -1.3757 -1.3757 -1.0515 -1.0515 0.5580 0.5580 2.4172 2.4172 3.2801 3.2801 3.5413 3.5413 3.9918 3.9918 4.1847 4.1847 5.5620 5.5620 5.7269 5.7269 6.0921 6.0921 6.4002 6.4002 7.0810 7.0810 7.6976 7.6976 9.1816 9.1816 9.5432 9.5432 10.1026 10.1026 10.3252 10.3252 10.9474 10.9474 k = 0.2500-0.0680 0.2374 ( 5711 PWs) bands (ev): -32.6260 -32.6260 -32.6172 -32.6172 -13.9403 -13.9403 -13.9074 -13.9074 -13.5882 -13.5882 -13.5560 -13.5560 -13.5219 -13.5219 -13.5023 -13.5023 -6.1589 -6.1589 -3.9939 -3.9939 -3.7978 -3.7978 -1.4118 -1.4118 -1.0948 -1.0948 0.6141 0.6141 2.4162 2.4162 3.2858 3.2858 3.5008 3.5008 3.9525 3.9525 4.1519 4.1519 5.5490 5.5490 5.7574 5.7574 6.0735 6.0735 6.4129 6.4129 7.1002 7.1002 7.7308 7.7308 9.1839 9.1839 9.5397 9.5397 10.1776 10.1776 10.3972 10.3972 10.8868 10.8868 k = 0.2375-0.0646 0.2255 ( 5711 PWs) bands (ev): -32.6261 -32.6261 -32.6171 -32.6171 -13.9407 -13.9407 -13.9066 -13.9066 -13.5885 -13.5885 -13.5551 -13.5551 -13.5227 -13.5227 -13.5017 -13.5017 -6.1875 -6.1875 -3.9418 -3.9418 -3.7748 -3.7748 -1.4472 -1.4472 -1.1386 -1.1386 0.6699 0.6699 2.4121 2.4121 3.2876 3.2876 3.4630 3.4630 3.9162 3.9162 4.1232 4.1232 5.5356 5.5356 5.7884 5.7884 6.0565 6.0565 6.4209 6.4209 7.1220 7.1220 7.7645 7.7645 9.1776 9.1776 9.5433 9.5433 10.2500 10.2500 10.4603 10.4603 10.8291 10.8291 k = 0.2250-0.0612 0.2137 ( 5710 PWs) bands (ev): -32.6263 -32.6263 -32.6170 -32.6170 -13.9410 -13.9410 -13.9057 -13.9057 -13.5889 -13.5889 -13.5541 -13.5541 -13.5234 -13.5234 -13.5011 -13.5011 -6.2151 -6.2151 -3.8902 -3.8902 -3.7509 -3.7509 -1.4820 -1.4820 -1.1827 -1.1827 0.7255 0.7255 2.4044 2.4044 3.2845 3.2845 3.4289 3.4289 3.8830 3.8830 4.0986 4.0986 5.5217 5.5217 5.8198 5.8198 6.0417 6.0417 6.4254 6.4254 7.1451 7.1451 7.7983 7.7983 9.1632 9.1632 9.5550 9.5550 10.3122 10.3122 10.5022 10.5022 10.7948 10.7948 k = 0.2125-0.0578 0.2018 ( 5708 PWs) bands (ev): -32.6264 -32.6264 -32.6168 -32.6168 -13.9414 -13.9414 -13.9049 -13.9049 -13.5892 -13.5892 -13.5532 -13.5532 -13.5241 -13.5241 -13.5006 -13.5006 -6.2416 -6.2416 -3.8396 -3.8396 -3.7260 -3.7260 -1.5160 -1.5160 -1.2267 -1.2267 0.7807 0.7807 2.3930 2.3930 3.2758 3.2758 3.3997 3.3997 3.8531 3.8531 4.0780 4.0780 5.5075 5.5075 5.8509 5.8509 6.0297 6.0297 6.4276 6.4276 7.1682 7.1682 7.8322 7.8322 9.1423 9.1423 9.5743 9.5743 10.3446 10.3446 10.5204 10.5204 10.8069 10.8069 k = 0.2000-0.0544 0.1899 ( 5704 PWs) bands (ev): -32.6265 -32.6265 -32.6167 -32.6167 -13.9417 -13.9417 -13.9041 -13.9041 -13.5895 -13.5895 -13.5522 -13.5522 -13.5249 -13.5249 -13.5000 -13.5000 -6.2669 -6.2669 -3.7906 -3.7906 -3.7000 -3.7000 -1.5493 -1.5493 -1.2706 -1.2706 0.8357 0.8357 2.3776 2.3776 3.2608 3.2608 3.3762 3.3762 3.8266 3.8266 4.0609 4.0609 5.4929 5.4929 5.8803 5.8803 6.0221 6.0221 6.4286 6.4286 7.1904 7.1904 7.8658 7.8658 9.1172 9.1172 9.5991 9.5991 10.3193 10.3193 10.5504 10.5504 10.8587 10.8587 k = 0.1875-0.0510 0.1781 ( 5706 PWs) bands (ev): -32.6266 -32.6266 -32.6166 -32.6166 -13.9419 -13.9419 -13.9033 -13.9033 -13.5898 -13.5898 -13.5513 -13.5513 -13.5256 -13.5256 -13.4995 -13.4995 -6.2910 -6.2910 -3.7442 -3.7442 -3.6722 -3.6722 -1.5818 -1.5818 -1.3139 -1.3139 0.8905 0.8905 2.3580 2.3580 3.2407 3.2407 3.3579 3.3579 3.8034 3.8034 4.0471 4.0471 5.4782 5.4782 5.9049 5.9049 6.0219 6.0219 6.4291 6.4291 7.2108 7.2108 7.8990 7.8990 9.0897 9.0897 9.6272 9.6272 10.2509 10.2509 10.5998 10.5998 10.9296 10.9296 k = 0.1750-0.0476 0.1662 ( 5707 PWs) bands (ev): -32.6268 -32.6268 -32.6165 -32.6165 -13.9422 -13.9422 -13.9026 -13.9026 -13.5901 -13.5901 -13.5503 -13.5503 -13.5264 -13.5264 -13.4990 -13.4990 -6.3137 -6.3137 -3.7018 -3.7018 -3.6413 -3.6413 -1.6135 -1.6135 -1.3565 -1.3565 0.9451 0.9451 2.3342 2.3342 3.2175 3.2175 3.3433 3.3433 3.7833 3.7833 4.0361 4.0361 5.4633 5.4633 5.9204 5.9204 6.0334 6.0334 6.4299 6.4299 7.2287 7.2287 7.9317 7.9317 9.0615 9.0615 9.6558 9.6558 10.1675 10.1675 10.6540 10.6540 11.0080 11.0080 k = 0.1625-0.0442 0.1543 ( 5703 PWs) bands (ev): -32.6269 -32.6269 -32.6164 -32.6164 -13.9425 -13.9425 -13.9019 -13.9019 -13.5903 -13.5903 -13.5494 -13.5494 -13.5272 -13.5272 -13.4985 -13.4985 -6.3351 -6.3351 -3.6651 -3.6651 -3.6062 -3.6062 -1.6444 -1.6444 -1.3982 -1.3982 0.9994 0.9994 2.3063 2.3063 3.1935 3.1935 3.3307 3.3307 3.7660 3.7660 4.0274 4.0274 5.4486 5.4486 5.9259 5.9259 6.0573 6.0573 6.4314 6.4314 7.2438 7.2438 7.9636 7.9636 9.0337 9.0337 9.6808 9.6808 10.0840 10.0840 10.7066 10.7066 11.0890 11.0890 k = 0.1500-0.0408 0.1424 ( 5707 PWs) bands (ev): -32.6270 -32.6270 -32.6163 -32.6163 -13.9427 -13.9427 -13.9013 -13.9013 -13.5906 -13.5906 -13.5485 -13.5485 -13.5280 -13.5280 -13.4980 -13.4980 -6.3551 -6.3551 -3.6340 -3.6340 -3.5675 -3.5675 -1.6742 -1.6742 -1.4385 -1.4385 1.0537 1.0537 2.2744 2.2744 3.1700 3.1700 3.3193 3.3193 3.7513 3.7513 4.0207 4.0207 5.4341 5.4341 5.9249 5.9249 6.0895 6.0895 6.4339 6.4339 7.2560 7.2560 7.9946 7.9946 9.0071 9.0071 9.6941 9.6941 10.0124 10.0124 10.7553 10.7553 11.1701 11.1701 k = 0.1375-0.0374 0.1306 ( 5706 PWs) bands (ev): -32.6271 -32.6271 -32.6162 -32.6162 -13.9429 -13.9429 -13.9006 -13.9006 -13.5909 -13.5909 -13.5475 -13.5475 -13.5288 -13.5288 -13.4975 -13.4975 -6.3737 -6.3737 -3.6068 -3.6068 -3.5272 -3.5272 -1.7029 -1.7029 -1.4773 -1.4773 1.1078 1.1078 2.2388 2.2388 3.1480 3.1480 3.3086 3.3086 3.7388 3.7388 4.0156 4.0156 5.4200 5.4200 5.9211 5.9211 6.1259 6.1259 6.4375 6.4375 7.2652 7.2652 8.0244 8.0244 8.9823 8.9823 9.6826 9.6826 9.9679 9.9679 10.7995 10.7995 11.2493 11.2493 k = 0.1250-0.0340 0.1187 ( 5699 PWs) bands (ev): -32.6272 -32.6272 -32.6161 -32.6161 -13.9431 -13.9431 -13.9000 -13.9000 -13.5911 -13.5911 -13.5466 -13.5466 -13.5295 -13.5295 -13.4971 -13.4971 -6.3908 -6.3908 -3.5823 -3.5823 -3.4871 -3.4871 -1.7304 -1.7304 -1.5142 -1.5142 1.1618 1.1618 2.1998 2.1998 3.1278 3.1278 3.2986 3.2986 3.7282 3.7282 4.0116 4.0116 5.4066 5.4066 5.9163 5.9163 6.1641 6.1641 6.4424 6.4424 7.2717 7.2717 8.0527 8.0527 8.9594 8.9594 9.6389 9.6389 9.9589 9.9589 10.8393 10.8393 11.3245 11.3245 k = 0.1125-0.0306 0.1068 ( 5696 PWs) bands (ev): -32.6272 -32.6272 -32.6160 -32.6160 -13.9433 -13.9433 -13.8995 -13.8995 -13.5913 -13.5913 -13.5457 -13.5457 -13.5303 -13.5303 -13.4966 -13.4966 -6.4064 -6.4064 -3.5597 -3.5597 -3.4485 -3.4485 -1.7565 -1.7565 -1.5490 -1.5490 1.2158 1.2158 2.1578 2.1578 3.1098 3.1098 3.2892 3.2892 3.7192 3.7192 4.0087 4.0087 5.3939 5.3939 5.9115 5.9115 6.2024 6.2024 6.4484 6.4484 7.2758 7.2758 8.0794 8.0794 8.9389 8.9389 9.5739 9.5739 9.9749 9.9749 10.8751 10.8751 11.3926 11.3926 k = 0.1000-0.0272 0.0950 ( 5701 PWs) bands (ev): -32.6273 -32.6273 -32.6160 -32.6160 -13.9435 -13.9435 -13.8990 -13.8990 -13.5915 -13.5915 -13.5448 -13.5448 -13.5311 -13.5311 -13.4962 -13.4962 -6.4204 -6.4204 -3.5389 -3.5389 -3.4121 -3.4121 -1.7808 -1.7808 -1.5813 -1.5813 1.2697 1.2697 2.1131 2.1131 3.0938 3.0938 3.2807 3.2807 3.7116 3.7116 4.0064 4.0064 5.3823 5.3823 5.9070 5.9070 6.2396 6.2396 6.4554 6.4554 7.2779 7.2779 8.1042 8.1042 8.9207 8.9207 9.5014 9.5014 10.0026 10.0026 10.9076 10.9076 11.4480 11.4480 k = 0.0875-0.0238 0.0831 ( 5706 PWs) bands (ev): -32.6274 -32.6274 -32.6159 -32.6159 -13.9437 -13.9437 -13.8986 -13.8986 -13.5917 -13.5917 -13.5439 -13.5439 -13.5319 -13.5319 -13.4959 -13.4959 -6.4328 -6.4328 -3.5199 -3.5199 -3.3786 -3.3786 -1.8033 -1.8033 -1.6108 -1.6108 1.3237 1.3237 2.0662 2.0662 3.0800 3.0800 3.2731 3.2731 3.7051 3.7051 4.0047 4.0047 5.3717 5.3717 5.9030 5.9030 6.2745 6.2745 6.4635 6.4635 7.2786 7.2786 8.1268 8.1268 8.9049 8.9049 9.4293 9.4293 10.0343 10.0343 10.9376 10.9376 11.4822 11.4822 k = 0.0750-0.0204 0.0712 ( 5705 PWs) bands (ev): -32.6274 -32.6274 -32.6159 -32.6159 -13.9438 -13.9438 -13.8982 -13.8982 -13.5918 -13.5918 -13.5431 -13.5431 -13.5327 -13.5327 -13.4956 -13.4956 -6.4437 -6.4437 -3.5029 -3.5029 -3.3483 -3.3483 -1.8235 -1.8235 -1.6371 -1.6371 1.3777 1.3777 2.0174 2.0174 3.0682 3.0682 3.2665 3.2665 3.6997 3.6997 4.0033 4.0033 5.3623 5.3623 5.8995 5.8995 6.3063 6.3063 6.4723 6.4723 7.2782 7.2782 8.1470 8.1470 8.8915 8.8915 9.3617 9.3617 10.0660 10.0660 10.9659 10.9659 11.4908 11.4908 k = 0.0625-0.0170 0.0594 ( 5709 PWs) bands (ev): -32.6275 -32.6275 -32.6158 -32.6158 -13.9439 -13.9439 -13.8979 -13.8979 -13.5919 -13.5919 -13.5422 -13.5422 -13.5335 -13.5335 -13.4953 -13.4953 -6.4529 -6.4529 -3.4881 -3.4881 -3.3218 -3.3218 -1.8414 -1.8414 -1.6601 -1.6601 1.4318 1.4318 1.9671 1.9671 3.0583 3.0583 3.2610 3.2610 3.6952 3.6952 4.0023 4.0023 5.3543 5.3543 5.8966 5.8966 6.3338 6.3338 6.4817 6.4817 7.2772 7.2772 8.1646 8.1646 8.8803 8.8803 9.3011 9.3011 10.0955 10.0955 10.9930 10.9930 11.4806 11.4806 k = 0.0500-0.0136 0.0475 ( 5713 PWs) bands (ev): -32.6275 -32.6275 -32.6158 -32.6158 -13.9440 -13.9440 -13.8977 -13.8977 -13.5921 -13.5921 -13.5414 -13.5414 -13.5343 -13.5343 -13.4951 -13.4951 -6.4604 -6.4604 -3.4756 -3.4756 -3.2995 -3.2995 -1.8564 -1.8564 -1.6793 -1.6793 1.4859 1.4859 1.9157 1.9157 3.0504 3.0504 3.2564 3.2564 3.6916 3.6916 4.0015 4.0015 5.3477 5.3477 5.8942 5.8942 6.3564 6.3564 6.4912 6.4912 7.2759 7.2759 8.1792 8.1792 8.8714 8.8714 9.2492 9.2492 10.1212 10.1212 11.0190 11.0190 11.4608 11.4608 k = 0.0375-0.0102 0.0356 ( 5713 PWs) bands (ev): -32.6276 -32.6276 -32.6158 -32.6158 -13.9441 -13.9441 -13.8974 -13.8974 -13.5921 -13.5921 -13.5406 -13.5406 -13.5351 -13.5351 -13.4949 -13.4949 -6.4663 -6.4663 -3.4656 -3.4656 -3.2816 -3.2816 -1.8685 -1.8685 -1.6946 -1.6946 1.5401 1.5401 1.8633 1.8633 3.0443 3.0443 3.2529 3.2529 3.6888 3.6888 4.0009 4.0009 5.3425 5.3425 5.8924 5.8924 6.3738 6.3738 6.5001 6.5001 7.2746 7.2746 8.1909 8.1909 8.8646 8.8646 9.2073 9.2073 10.1421 10.1421 11.0431 11.0431 11.4377 11.4377 k = 0.0250-0.0068 0.0237 ( 5714 PWs) bands (ev): -32.6276 -32.6276 -32.6157 -32.6157 -13.9441 -13.9441 -13.8973 -13.8973 -13.5922 -13.5922 -13.5398 -13.5398 -13.5358 -13.5358 -13.4948 -13.4948 -6.4705 -6.4705 -3.4584 -3.4584 -3.2687 -3.2687 -1.8773 -1.8773 -1.7056 -1.7056 1.5942 1.5942 1.8103 1.8103 3.0399 3.0399 3.2505 3.2505 3.6868 3.6868 4.0005 4.0005 5.3387 5.3387 5.8911 5.8911 6.3859 6.3859 6.5075 6.5075 7.2736 7.2736 8.1993 8.1993 8.8598 8.8598 9.1766 9.1766 10.1575 10.1575 11.0638 11.0638 11.4161 11.4161 k = 0.0125-0.0034 0.0119 ( 5707 PWs) bands (ev): -32.6276 -32.6276 -32.6157 -32.6157 -13.9442 -13.9442 -13.8972 -13.8972 -13.5922 -13.5922 -13.5391 -13.5391 -13.5365 -13.5365 -13.4947 -13.4947 -6.4731 -6.4731 -3.4540 -3.4540 -3.2608 -3.2608 -1.8827 -1.8827 -1.7124 -1.7124 1.6482 1.6482 1.7569 1.7569 3.0373 3.0373 3.2490 3.2490 3.6856 3.6856 4.0002 4.0002 5.3365 5.3365 5.8904 5.8904 6.3929 6.3929 6.5124 6.5124 7.2729 7.2729 8.2044 8.2044 8.8570 8.8570 9.1579 9.1579 10.1669 10.1669 11.0783 11.0783 11.4005 11.4005 k = 0.0000 0.0000 0.0000 ( 5711 PWs) bands (ev): -32.6276 -32.6276 -32.6157 -32.6157 -13.9442 -13.9442 -13.8972 -13.8972 -13.5922 -13.5922 -13.5388 -13.5388 -13.5368 -13.5368 -13.4947 -13.4947 -6.4739 -6.4739 -3.4525 -3.4525 -3.2581 -3.2581 -1.8845 -1.8845 -1.7146 -1.7146 1.6961 1.6961 1.7092 1.7092 3.0364 3.0364 3.2485 3.2485 3.6852 3.6852 4.0002 4.0002 5.3357 5.3357 5.8901 5.8901 6.3953 6.3953 6.5141 6.5141 7.2727 7.2727 8.2061 8.2061 8.8560 8.8560 9.1515 9.1515 10.1700 10.1700 11.0836 11.0836 11.3948 11.3948 k = 0.0000 0.0000 0.0000 ( 5711 PWs) bands (ev): -32.6276 -32.6276 -32.6157 -32.6157 -13.9442 -13.9442 -13.8972 -13.8972 -13.5922 -13.5922 -13.5388 -13.5388 -13.5368 -13.5368 -13.4947 -13.4947 -6.4739 -6.4739 -3.4525 -3.4525 -3.2581 -3.2581 -1.8845 -1.8845 -1.7146 -1.7146 1.6961 1.6961 1.7092 1.7092 3.0364 3.0364 3.2485 3.2485 3.6852 3.6852 4.0002 4.0002 5.3357 5.3357 5.8901 5.8901 6.3953 6.3953 6.5141 6.5141 7.2727 7.2727 8.2061 8.2061 8.8560 8.8560 9.1515 9.1515 10.1700 10.1700 11.0836 11.0836 11.3948 11.3948 k = 0.0000 0.0143 0.0100 ( 5712 PWs) bands (ev): -32.6276 -32.6276 -32.6157 -32.6157 -13.9442 -13.9442 -13.8972 -13.8972 -13.5922 -13.5922 -13.5391 -13.5391 -13.5365 -13.5365 -13.4947 -13.4947 -6.4731 -6.4731 -3.4590 -3.4590 -3.2537 -3.2537 -1.8959 -1.8959 -1.7017 -1.7017 1.6895 1.6895 1.7167 1.7167 3.0351 3.0351 3.2466 3.2466 3.6878 3.6878 4.0026 4.0026 5.3363 5.3363 5.8874 5.8874 6.3955 6.3955 6.5132 6.5132 7.2724 7.2724 8.2031 8.2031 8.8593 8.8593 9.1550 9.1550 10.1690 10.1690 11.0851 11.0851 11.3930 11.3930 k = 0.0000 0.0286 0.0200 ( 5717 PWs) bands (ev): -32.6276 -32.6276 -32.6157 -32.6157 -13.9441 -13.9441 -13.8973 -13.8973 -13.5922 -13.5922 -13.5397 -13.5397 -13.5359 -13.5359 -13.4948 -13.4948 -6.4705 -6.4705 -3.4768 -3.4768 -3.2420 -3.2420 -1.9234 -1.9234 -1.6699 -1.6699 1.6793 1.6793 1.7295 1.7295 3.0310 3.0310 3.2417 3.2417 3.6950 3.6950 4.0099 4.0099 5.3379 5.3379 5.8794 5.8794 6.3960 6.3960 6.5105 6.5105 7.2715 7.2715 8.1942 8.1942 8.8693 8.8693 9.1650 9.1650 10.1663 10.1663 11.0889 11.0889 11.3876 11.3876 k = 0.0000 0.0430 0.0299 ( 5714 PWs) bands (ev): -32.6276 -32.6276 -32.6158 -32.6158 -13.9441 -13.9441 -13.8975 -13.8975 -13.5922 -13.5922 -13.5404 -13.5404 -13.5353 -13.5353 -13.4949 -13.4949 -6.4663 -6.4663 -3.5029 -3.5029 -3.2259 -3.2259 -1.9577 -1.9577 -1.6285 -1.6285 1.6687 1.6687 1.7442 1.7442 3.0234 3.0234 3.2358 3.2358 3.7051 3.7051 4.0225 4.0225 5.3405 5.3405 5.8662 5.8662 6.3968 6.3968 6.5061 6.5061 7.2702 7.2702 8.1793 8.1793 8.8861 8.8861 9.1814 9.1814 10.1624 10.1624 11.0936 11.0936 11.3790 11.3790 k = 0.0000 0.0573 0.0399 ( 5711 PWs) bands (ev): -32.6275 -32.6275 -32.6158 -32.6158 -13.9440 -13.9440 -13.8977 -13.8977 -13.5921 -13.5921 -13.5412 -13.5412 -13.5346 -13.5346 -13.4950 -13.4950 -6.4605 -6.4605 -3.5350 -3.5350 -3.2077 -3.2077 -1.9941 -1.9941 -1.5821 -1.5821 1.6579 1.6579 1.7607 1.7607 3.0119 3.0119 3.2312 3.2312 3.7162 3.7162 4.0404 4.0404 5.3441 5.3441 5.8481 5.8481 6.3976 6.3976 6.5004 6.5004 7.2683 7.2683 8.1586 8.1586 8.9098 8.9098 9.2035 9.2035 10.1581 10.1581 11.0966 11.0966 11.3677 11.3677 k = 0.0000 0.0716 0.0499 ( 5713 PWs) bands (ev): -32.6275 -32.6275 -32.6158 -32.6158 -13.9439 -13.9439 -13.8980 -13.8980 -13.5920 -13.5920 -13.5420 -13.5420 -13.5338 -13.5338 -13.4951 -13.4951 -6.4529 -6.4529 -3.5713 -3.5713 -3.1890 -3.1890 -2.0308 -2.0308 -1.5329 -1.5329 1.6465 1.6465 1.7791 1.7791 2.9964 2.9964 3.2300 3.2300 3.7267 3.7267 4.0636 4.0636 5.3485 5.3485 5.8256 5.8256 6.3979 6.3979 6.4939 6.4939 7.2659 7.2659 8.1323 8.1323 8.9404 8.9404 9.2306 9.2306 10.1546 10.1546 11.0943 11.0943 11.3550 11.3550 k = 0.0000 0.0859 0.0599 ( 5709 PWs) bands (ev): -32.6274 -32.6274 -32.6159 -32.6159 -13.9437 -13.9437 -13.8983 -13.8983 -13.5918 -13.5918 -13.5428 -13.5428 -13.5331 -13.5331 -13.4953 -13.4953 -6.4438 -6.4438 -3.6109 -3.6109 -3.1705 -3.1705 -2.0670 -2.0670 -1.4819 -1.4819 1.6341 1.6341 1.7994 1.7994 2.9774 2.9774 3.2331 3.2331 3.7355 3.7355 4.0916 4.0916 5.3538 5.3538 5.7989 5.7989 6.3971 6.3971 6.4872 6.4872 7.2630 7.2630 8.1008 8.1008 8.9775 8.9775 9.2622 9.2622 10.1525 10.1525 11.0831 11.0831 11.3426 11.3426 k = 0.0000 0.1003 0.0699 ( 5708 PWs) bands (ev): -32.6274 -32.6274 -32.6159 -32.6159 -13.9435 -13.9435 -13.8987 -13.8987 -13.5917 -13.5917 -13.5436 -13.5436 -13.5324 -13.5324 -13.4955 -13.4955 -6.4330 -6.4330 -3.6531 -3.6531 -3.1527 -3.1527 -2.1022 -2.1022 -1.4295 -1.4295 1.6207 1.6207 1.8217 1.8217 2.9561 2.9561 3.2407 3.2407 3.7424 3.7424 4.1237 4.1237 5.3597 5.3597 5.7686 5.7686 6.3942 6.3942 6.4813 6.4813 7.2595 7.2595 8.0646 8.0646 9.0207 9.0207 9.2977 9.2977 10.1526 10.1526 11.0602 11.0602 11.3319 11.3319 k = 0.0000 0.1146 0.0799 ( 5717 PWs) bands (ev): -32.6273 -32.6273 -32.6160 -32.6160 -13.9433 -13.9433 -13.8991 -13.8991 -13.5916 -13.5916 -13.5445 -13.5445 -13.5317 -13.5317 -13.4958 -13.4958 -6.4206 -6.4206 -3.6976 -3.6976 -3.1357 -3.1357 -2.1364 -2.1364 -1.3762 -1.3762 1.6058 1.6058 1.8459 1.8459 2.9338 2.9338 3.2525 3.2525 3.7473 3.7473 4.1588 4.1588 5.3663 5.3663 5.7351 5.7351 6.3883 6.3883 6.4774 6.4774 7.2555 7.2555 8.0244 8.0244 9.0690 9.0690 9.3368 9.3368 10.1552 10.1552 11.0248 11.0248 11.3228 11.3228 k = 0.0000 0.1289 0.0898 ( 5717 PWs) bands (ev): -32.6272 -32.6272 -32.6161 -32.6161 -13.9431 -13.9431 -13.8996 -13.8996 -13.5914 -13.5914 -13.5453 -13.5453 -13.5310 -13.5310 -13.4960 -13.4960 -6.4067 -6.4067 -3.7439 -3.7439 -3.1197 -3.1197 -2.1695 -2.1695 -1.3224 -1.3224 1.5895 1.5895 1.8719 1.8719 2.9118 2.9118 3.2681 3.2681 3.7507 3.7507 4.1959 4.1959 5.3735 5.3735 5.6989 5.6989 6.3787 6.3787 6.4760 6.4760 7.2507 7.2507 7.9810 7.9810 9.1215 9.1215 9.3791 9.3791 10.1604 10.1604 10.9791 10.9791 11.3141 11.3141 k = 0.0000 0.1432 0.0998 ( 5718 PWs) bands (ev): -32.6271 -32.6271 -32.6162 -32.6162 -13.9429 -13.9429 -13.9002 -13.9002 -13.5912 -13.5912 -13.5462 -13.5462 -13.5303 -13.5303 -13.4963 -13.4963 -6.3913 -6.3913 -3.7918 -3.7918 -3.1046 -3.1046 -2.2014 -2.2014 -1.2683 -1.2683 1.5714 1.5714 1.8995 1.8995 2.8910 2.8910 3.2869 3.2869 3.7531 3.7531 4.2339 4.2339 5.3812 5.3812 5.6604 5.6604 6.3654 6.3654 6.4771 6.4771 7.2450 7.2450 7.9354 7.9354 9.1767 9.1767 9.4248 9.4248 10.1678 10.1678 10.9264 10.9264 11.3038 11.3038 k = 0.0000 0.1575 0.1098 ( 5714 PWs) bands (ev): -32.6270 -32.6270 -32.6163 -32.6163 -13.9426 -13.9426 -13.9008 -13.9008 -13.5910 -13.5910 -13.5470 -13.5470 -13.5296 -13.5296 -13.4966 -13.4966 -6.3744 -6.3744 -3.8410 -3.8410 -3.0903 -3.0903 -2.2321 -2.2321 -1.2141 -1.2141 1.5517 1.5517 1.9286 1.9286 2.8724 2.8724 3.3085 3.3085 3.7549 3.7549 4.2720 4.2720 5.3895 5.3895 5.6201 5.6201 6.3491 6.3491 6.4802 6.4802 7.2382 7.2382 7.8885 7.8885 9.2328 9.2328 9.4741 9.4741 10.1766 10.1766 10.8704 10.8704 11.2904 11.2904 k = 0.0000 0.1719 0.1198 ( 5707 PWs) bands (ev): -32.6269 -32.6269 -32.6164 -32.6164 -13.9423 -13.9423 -13.9014 -13.9014 -13.5908 -13.5908 -13.5478 -13.5478 -13.5289 -13.5289 -13.4970 -13.4970 -6.3560 -6.3560 -3.8914 -3.8914 -3.0769 -3.0769 -2.2617 -2.2617 -1.1602 -1.1602 1.5303 1.5303 1.9589 1.9589 2.8566 2.8566 3.3325 3.3325 3.7567 3.7567 4.3094 4.3094 5.3983 5.3983 5.5785 5.5785 6.3303 6.3303 6.4845 6.4845 7.2298 7.2298 7.8415 7.8415 9.2878 9.2878 9.5275 9.5275 10.1861 10.1861 10.8146 10.8146 11.2735 11.2735 k = 0.0000 0.1862 0.1298 ( 5706 PWs) bands (ev): -32.6268 -32.6268 -32.6165 -32.6165 -13.9420 -13.9420 -13.9021 -13.9021 -13.5906 -13.5906 -13.5487 -13.5487 -13.5283 -13.5283 -13.4973 -13.4973 -6.3363 -6.3363 -3.9427 -3.9427 -3.0642 -3.0642 -2.2902 -2.2902 -1.1067 -1.1067 1.5074 1.5074 1.9901 1.9901 2.8440 2.8440 3.3585 3.3585 3.7590 3.7590 4.3454 4.3454 5.4075 5.4075 5.5360 5.5360 6.3094 6.3094 6.4894 6.4894 7.2197 7.2197 7.7954 7.7954 9.3396 9.3396 9.5855 9.5855 10.1953 10.1953 10.7620 10.7620 11.2531 11.2531 k = 0.0000 0.2005 0.1398 ( 5708 PWs) bands (ev): -32.6266 -32.6266 -32.6166 -32.6166 -13.9416 -13.9416 -13.9028 -13.9028 -13.5903 -13.5903 -13.5495 -13.5495 -13.5276 -13.5276 -13.4977 -13.4977 -6.3152 -6.3152 -3.9946 -3.9946 -3.0522 -3.0522 -2.3177 -2.3177 -1.0539 -1.0539 1.4831 1.4831 2.0217 2.0217 2.8350 2.8350 3.3860 3.3860 3.7621 3.7621 4.3797 4.3797 5.4168 5.4168 5.4933 5.4933 6.2866 6.2866 6.4943 6.4943 7.2077 7.2077 7.7512 7.7512 9.3862 9.3862 9.6482 9.6482 10.2032 10.2032 10.7150 10.7150 11.2303 11.2303 k = 0.0000 0.2148 0.1497 ( 5706 PWs) bands (ev): -32.6265 -32.6265 -32.6167 -32.6167 -13.9413 -13.9413 -13.9035 -13.9035 -13.5901 -13.5901 -13.5503 -13.5503 -13.5269 -13.5269 -13.4981 -13.4981 -6.2929 -6.2929 -4.0472 -4.0472 -3.0407 -3.0407 -2.3442 -2.3442 -1.0020 -1.0020 1.4577 1.4577 2.0535 2.0535 2.8299 2.8299 3.4147 3.4147 3.7666 3.7666 4.4118 4.4118 5.4243 5.4243 5.4525 5.4525 6.2621 6.2621 6.4988 6.4988 7.1935 7.1935 7.7097 7.7097 9.4261 9.4261 9.7150 9.7150 10.2096 10.2096 10.6757 10.6757 11.2065 11.2065 k = 0.0000 0.2292 0.1597 ( 5703 PWs) bands (ev): -32.6264 -32.6264 -32.6169 -32.6169 -13.9409 -13.9409 -13.9043 -13.9043 -13.5898 -13.5898 -13.5511 -13.5511 -13.5262 -13.5262 -13.4985 -13.4985 -6.2693 -6.2693 -4.1000 -4.1000 -3.0297 -3.0297 -2.3698 -2.3698 -0.9513 -0.9513 1.4314 1.4314 2.0849 2.0849 2.8287 2.8287 3.4441 3.4441 3.7727 3.7727 4.4414 4.4414 5.4033 5.4033 5.4406 5.4406 6.2360 6.2360 6.5024 6.5024 7.1774 7.1774 7.6715 7.6715 9.4588 9.4588 9.7845 9.7845 10.2147 10.2147 10.6452 10.6452 11.1834 11.1834 k = 0.0000 0.2435 0.1697 ( 5710 PWs) bands (ev): -32.6262 -32.6262 -32.6170 -32.6170 -13.9405 -13.9405 -13.9051 -13.9051 -13.5896 -13.5896 -13.5519 -13.5519 -13.5256 -13.5256 -13.4990 -13.4990 -6.2447 -6.2447 -4.1530 -4.1530 -3.0191 -3.0191 -2.3946 -2.3946 -0.9019 -0.9019 1.4046 1.4046 2.1155 2.1155 2.8317 2.8317 3.4738 3.4738 3.7810 3.7810 4.4684 4.4684 5.3630 5.3630 5.4486 5.4486 6.2084 6.2084 6.5049 6.5049 7.1597 7.1597 7.6366 7.6366 9.4840 9.4840 9.8548 9.8548 10.2193 10.2193 10.6244 10.6244 11.1625 11.1625 k = 0.0000 0.2578 0.1797 ( 5717 PWs) bands (ev): -32.6261 -32.6261 -32.6172 -32.6172 -13.9401 -13.9401 -13.9059 -13.9059 -13.5894 -13.5894 -13.5527 -13.5527 -13.5250 -13.5250 -13.4994 -13.4994 -6.2190 -6.2190 -4.2060 -4.2060 -3.0088 -3.0088 -2.4185 -2.4185 -0.8541 -0.8541 1.3775 1.3775 2.1449 2.1449 2.8386 2.8386 3.5034 3.5034 3.7918 3.7918 4.4926 4.4926 5.3231 5.3231 5.4566 5.4566 6.1795 6.1795 6.5058 6.5058 7.1412 7.1412 7.6049 7.6049 9.5025 9.5025 9.9230 9.9230 10.2251 10.2251 10.6135 10.6135 11.1450 11.1450 k = 0.0000 0.2721 0.1897 ( 5711 PWs) bands (ev): -32.6259 -32.6259 -32.6173 -32.6173 -13.9397 -13.9397 -13.9068 -13.9068 -13.5892 -13.5892 -13.5534 -13.5534 -13.5243 -13.5243 -13.4999 -13.4999 -6.1924 -6.1924 -4.2587 -4.2587 -2.9987 -2.9987 -2.4416 -2.4416 -0.8081 -0.8081 1.3505 1.3505 2.1727 2.1727 2.8495 2.8495 3.5325 3.5325 3.8053 3.8053 4.5139 4.5139 5.2853 5.2853 5.4628 5.4628 6.1497 6.1497 6.5049 6.5049 7.1226 7.1226 7.5756 7.5756 9.5154 9.5154 9.9850 9.9850 10.2346 10.2346 10.6128 10.6128 11.1316 11.1316 k = 0.0000 0.2864 0.1997 ( 5706 PWs) bands (ev): -32.6258 -32.6258 -32.6175 -32.6175 -13.9392 -13.9392 -13.9076 -13.9076 -13.5889 -13.5889 -13.5541 -13.5541 -13.5237 -13.5237 -13.5003 -13.5003 -6.1650 -6.1650 -4.3110 -4.3110 -2.9888 -2.9888 -2.4640 -2.4640 -0.7640 -0.7640 1.3239 1.3239 2.1986 2.1986 2.8639 2.8639 3.5609 3.5609 3.8217 3.8217 4.5320 4.5320 5.2505 5.2505 5.4657 5.4657 6.1199 6.1199 6.5020 6.5020 7.1046 7.1046 7.5481 7.5481 9.5246 9.5246 10.0349 10.0349 10.2523 10.2523 10.6217 10.6217 11.1228 11.1229 k = 0.0000 0.3008 0.2096 ( 5705 PWs) bands (ev): -32.6256 -32.6256 -32.6176 -32.6176 -13.9388 -13.9388 -13.9085 -13.9085 -13.5887 -13.5887 -13.5548 -13.5548 -13.5230 -13.5230 -13.5008 -13.5008 -6.1368 -6.1368 -4.3628 -4.3628 -2.9790 -2.9790 -2.4857 -2.4857 -0.7221 -0.7221 1.2981 1.2981 2.2224 2.2224 2.8815 2.8815 3.5887 3.5887 3.8410 3.8410 4.5468 4.5468 5.2198 5.2198 5.4638 5.4638 6.0914 6.0914 6.4971 6.4971 7.0877 7.0877 7.5217 7.5217 9.5322 9.5322 10.0670 10.0670 10.2833 10.2833 10.6385 10.6385 11.0803 11.0805 k = 0.0000 0.3151 0.2196 ( 5704 PWs) bands (ev): -32.6254 -32.6254 -32.6178 -32.6178 -13.9383 -13.9383 -13.9093 -13.9093 -13.5885 -13.5885 -13.5555 -13.5555 -13.5224 -13.5224 -13.5013 -13.5013 -6.1081 -6.1081 -4.4138 -4.4138 -2.9693 -2.9693 -2.5067 -2.5067 -0.6825 -0.6825 1.2732 1.2732 2.2439 2.2439 2.9016 2.9016 3.6162 3.6162 3.8629 3.8629 4.5579 4.5579 5.1942 5.1942 5.4552 5.4552 6.0659 6.0659 6.4901 6.4901 7.0721 7.0721 7.4956 7.4956 9.5404 9.5404 10.0809 10.0809 10.3278 10.3278 10.6597 10.6597 11.0238 11.0238 k = 0.0000 0.3294 0.2296 ( 5700 PWs) bands (ev): -32.6253 -32.6253 -32.6179 -32.6179 -13.9378 -13.9378 -13.9101 -13.9101 -13.5883 -13.5883 -13.5561 -13.5561 -13.5218 -13.5218 -13.5018 -13.5018 -6.0791 -6.0791 -4.4637 -4.4637 -2.9596 -2.9596 -2.5269 -2.5269 -0.6454 -0.6454 1.2495 1.2495 2.2631 2.2631 2.9236 2.9236 3.6437 3.6437 3.8872 3.8872 4.5647 4.5647 5.1746 5.1746 5.4384 5.4384 6.0451 6.0451 6.4811 6.4811 7.0576 7.0576 7.4696 7.4696 9.5510 9.5510 10.0824 10.0824 10.3810 10.3810 10.6802 10.6802 10.9672 10.9672 k = 0.0000 0.3437 0.2396 ( 5694 PWs) bands (ev): -32.6251 -32.6251 -32.6181 -32.6181 -13.9373 -13.9373 -13.9110 -13.9110 -13.5880 -13.5880 -13.5567 -13.5567 -13.5212 -13.5212 -13.5023 -13.5023 -6.0498 -6.0498 -4.5125 -4.5125 -2.9499 -2.9499 -2.5465 -2.5465 -0.6108 -0.6108 1.2273 1.2273 2.2802 2.2802 2.9466 2.9466 3.6717 3.6717 3.9135 3.9135 4.5669 4.5669 5.1620 5.1620 5.4120 5.4120 6.0305 6.0305 6.4700 6.4700 7.0438 7.0438 7.4438 7.4438 9.5655 9.5655 10.0778 10.0778 10.4382 10.4382 10.6941 10.6941 10.9114 10.9114 k = 0.0000 0.3581 0.2496 ( 5694 PWs) bands (ev): -32.6249 -32.6249 -32.6183 -32.6183 -13.9369 -13.9369 -13.9118 -13.9118 -13.5879 -13.5879 -13.5573 -13.5573 -13.5206 -13.5206 -13.5027 -13.5027 -6.0205 -6.0205 -4.5597 -4.5597 -2.9403 -2.9403 -2.5653 -2.5653 -0.5790 -0.5790 1.2067 1.2067 2.2951 2.2951 2.9698 2.9698 3.7008 3.7008 3.9416 3.9416 4.5643 4.5643 5.1569 5.1569 5.3758 5.3758 6.0228 6.0228 6.4571 6.4571 7.0298 7.0298 7.4183 7.4183 9.5850 9.5850 10.0712 10.0712 10.4965 10.4965 10.6971 10.6971 10.8573 10.8573 k = 0.0000 0.3724 0.2596 ( 5690 PWs) bands (ev): -32.6248 -32.6248 -32.6184 -32.6184 -13.9364 -13.9364 -13.9126 -13.9126 -13.5877 -13.5877 -13.5578 -13.5578 -13.5200 -13.5200 -13.5032 -13.5032 -5.9915 -5.9915 -4.6052 -4.6052 -2.9306 -2.9306 -2.5834 -2.5834 -0.5499 -0.5499 1.1877 1.1877 2.3082 2.3082 2.9924 2.9924 3.7310 3.7310 3.9712 3.9712 4.5570 4.5570 5.1590 5.1590 5.3305 5.3305 6.0219 6.0219 6.4424 6.4424 7.0148 7.0148 7.3940 7.3940 9.6097 9.6097 10.0652 10.0652 10.5536 10.5536 10.6870 10.6870 10.8066 10.8066 k = 0.0000 0.3867 0.2695 ( 5693 PWs) bands (ev): -32.6246 -32.6246 -32.6186 -32.6186 -13.9359 -13.9359 -13.9134 -13.9134 -13.5875 -13.5875 -13.5583 -13.5583 -13.5195 -13.5195 -13.5037 -13.5037 -5.9631 -5.9631 -4.6486 -4.6486 -2.9210 -2.9210 -2.6006 -2.6006 -0.5236 -0.5236 1.1706 1.1706 2.3196 2.3196 3.0137 3.0137 3.7623 3.7623 4.0025 4.0025 4.5456 4.5456 5.1667 5.1667 5.2786 5.2786 6.0268 6.0268 6.4264 6.4264 6.9980 6.9980 7.3715 7.3715 9.6397 9.6397 10.0615 10.0615 10.6036 10.6036 10.6675 10.6675 10.7623 10.7623 k = 0.0000 0.4010 0.2795 ( 5696 PWs) bands (ev): -32.6244 -32.6244 -32.6187 -32.6187 -13.9355 -13.9355 -13.9141 -13.9141 -13.5874 -13.5874 -13.5587 -13.5587 -13.5190 -13.5190 -13.5041 -13.5041 -5.9356 -5.9356 -4.6896 -4.6896 -2.9114 -2.9114 -2.6170 -2.6170 -0.5002 -0.5002 1.1553 1.1553 2.3295 2.3295 3.0331 3.0331 3.7945 3.7945 4.0356 4.0356 4.5309 4.5309 5.1717 5.1717 5.2291 5.2291 6.0361 6.0361 6.4094 6.4094 6.9788 6.9788 7.3516 7.3516 9.6746 9.6746 10.0612 10.0612 10.6095 10.6095 10.6648 10.6648 10.7373 10.7373 k = 0.0000 0.4153 0.2895 ( 5694 PWs) bands (ev): -32.6243 -32.6243 -32.6189 -32.6189 -13.9350 -13.9350 -13.9148 -13.9148 -13.5872 -13.5872 -13.5591 -13.5591 -13.5185 -13.5185 -13.5046 -13.5046 -5.9095 -5.9095 -4.7276 -4.7276 -2.9021 -2.9021 -2.6325 -2.6325 -0.4797 -0.4797 1.1420 1.1420 2.3379 2.3379 3.0502 3.0502 3.8265 3.8265 4.0709 4.0709 4.5140 4.5140 5.1361 5.1361 5.2204 5.2204 6.0483 6.0483 6.3921 6.3921 6.9572 6.9572 7.3350 7.3350 9.7135 9.7135 10.0649 10.0649 10.5708 10.5708 10.6491 10.6491 10.7648 10.7648 k = 0.0000 0.4297 0.2995 ( 5694 PWs) bands (ev): -32.6241 -32.6241 -32.6190 -32.6190 -13.9346 -13.9346 -13.9154 -13.9154 -13.5871 -13.5871 -13.5594 -13.5594 -13.5180 -13.5180 -13.5049 -13.5049 -5.8851 -5.8851 -4.7623 -4.7623 -2.8930 -2.8930 -2.6469 -2.6469 -0.4620 -0.4620 1.1305 1.1305 2.3450 2.3450 3.0649 3.0649 3.8575 3.8575 4.1087 4.1087 4.4963 4.4963 5.0733 5.0733 5.2393 5.2393 6.0616 6.0616 6.3753 6.3753 6.9337 6.9337 7.3218 7.3218 9.7554 9.7554 10.0726 10.0726 10.5231 10.5231 10.6143 10.6143 10.8178 10.8178 k = 0.0000 0.4440 0.3095 ( 5691 PWs) bands (ev): -32.6240 -32.6240 -32.6191 -32.6191 -13.9342 -13.9342 -13.9160 -13.9160 -13.5870 -13.5870 -13.5597 -13.5597 -13.5176 -13.5176 -13.5053 -13.5053 -5.8631 -5.8631 -4.7930 -4.7930 -2.8845 -2.8845 -2.6599 -2.6599 -0.4471 -0.4471 1.1209 1.1209 2.3509 2.3509 3.0770 3.0770 3.8860 3.8860 4.1486 4.1486 4.4790 4.4790 5.0065 5.0065 5.2628 5.2628 6.0746 6.0746 6.3601 6.3601 6.9092 6.9092 7.3119 7.3119 9.7986 9.7986 10.0844 10.0844 10.4729 10.4729 10.5776 10.5776 10.8749 10.8749 k = 0.0000 0.4583 0.3195 ( 5698 PWs) bands (ev): -32.6239 -32.6239 -32.6193 -32.6193 -13.9339 -13.9339 -13.9165 -13.9165 -13.5870 -13.5870 -13.5600 -13.5600 -13.5172 -13.5172 -13.5056 -13.5056 -5.8439 -5.8439 -4.8193 -4.8193 -2.8767 -2.8767 -2.6714 -2.6714 -0.4350 -0.4350 1.1131 1.1131 2.3557 2.3557 3.0867 3.0867 3.9111 3.9111 4.1899 4.1899 4.4634 4.4634 4.9408 4.9408 5.2864 5.2864 6.0859 6.0859 6.3474 6.3474 6.8855 6.8855 7.3048 7.3048 9.8414 9.8414 10.0998 10.0998 10.4225 10.4225 10.5428 10.5428 10.9314 10.9314 k = 0.0000 0.4726 0.3294 ( 5700 PWs) bands (ev): -32.6238 -32.6238 -32.6193 -32.6193 -13.9337 -13.9337 -13.9168 -13.9168 -13.5869 -13.5869 -13.5601 -13.5601 -13.5170 -13.5170 -13.5059 -13.5059 -5.8283 -5.8283 -4.8406 -4.8406 -2.8700 -2.8700 -2.6810 -2.6810 -0.4256 -0.4256 1.1070 1.1070 2.3594 2.3594 3.0940 3.0940 3.9316 3.9316 4.2300 4.2300 4.4509 4.4509 4.8797 4.8797 5.3075 5.3075 6.0944 6.0944 6.3380 6.3380 6.8642 6.8642 7.2999 7.2999 9.8812 9.8812 10.1182 10.1182 10.3740 10.3740 10.5122 10.5122 10.9835 10.9835 k = 0.0000 0.4869 0.3394 ( 5705 PWs) bands (ev): -32.6238 -32.6238 -32.6194 -32.6194 -13.9335 -13.9335 -13.9171 -13.9171 -13.5869 -13.5869 -13.5603 -13.5603 -13.5168 -13.5168 -13.5061 -13.5061 -5.8166 -5.8166 -4.8563 -4.8563 -2.8647 -2.8647 -2.6883 -2.6883 -0.4189 -0.4189 1.1028 1.1028 2.3620 2.3620 3.0991 3.0991 3.9468 3.9468 4.2650 4.2650 4.4427 4.4427 4.8279 4.8279 5.3243 5.3243 6.1000 6.1000 6.3321 6.3321 6.8472 6.8472 7.2969 7.2969 9.9146 9.9146 10.1384 10.1384 10.3300 10.3300 10.4879 10.4879 11.0265 11.0265 k = 0.0000 0.5013 0.3494 ( 5704 PWs) bands (ev): -32.6237 -32.6237 -32.6194 -32.6194 -13.9334 -13.9334 -13.9173 -13.9173 -13.5869 -13.5869 -13.5604 -13.5604 -13.5166 -13.5166 -13.5062 -13.5062 -5.8094 -5.8094 -4.8659 -4.8659 -2.8613 -2.8613 -2.6930 -2.6930 -0.4150 -0.4150 1.1002 1.1002 2.3636 2.3636 3.1021 3.1021 3.9562 3.9562 4.2892 4.2892 4.4391 4.4391 4.7918 4.7918 5.3350 5.3350 6.1029 6.1029 6.3290 6.3290 6.8363 6.8363 7.2952 7.2952 9.9374 9.9374 10.1572 10.1572 10.2954 10.2954 10.4720 10.4720 11.0550 11.0550 k = 0.0000 0.5156 0.3594 ( 5708 PWs) bands (ev): -32.6237 -32.6237 -32.6195 -32.6195 -13.9333 -13.9333 -13.9174 -13.9174 -13.5869 -13.5869 -13.5604 -13.5604 -13.5166 -13.5166 -13.5063 -13.5063 -5.8069 -5.8069 -4.8691 -4.8691 -2.8602 -2.8602 -2.6945 -2.6945 -0.4136 -0.4136 1.0994 1.0994 2.3641 2.3641 3.1031 3.1031 3.9594 3.9594 4.2979 4.2979 4.4384 4.4384 4.7786 4.7786 5.3387 5.3387 6.1038 6.1038 6.3281 6.3281 6.8325 6.8325 7.2947 7.2947 9.9456 9.9456 10.1662 10.1662 10.2808 10.2808 10.4664 10.4664 11.0649 11.0649 k = 0.5000 0.3796 0.3063 ( 5680 PWs) bands (ev): -32.6221 -32.6221 -32.6209 -32.6209 -13.9298 -13.9298 -13.9283 -13.9283 -13.5781 -13.5781 -13.5768 -13.5768 -13.5207 -13.5207 -13.4970 -13.4970 -5.3416 -5.3416 -5.0989 -5.0989 -3.8360 -3.8360 -1.3585 -1.3585 -0.9493 -0.9493 0.1078 0.1078 2.8005 2.8005 3.3457 3.3457 3.5407 3.5407 4.7201 4.7201 4.8873 4.8873 5.5518 5.5518 6.0256 6.0256 6.3087 6.3087 6.4203 6.4203 6.7736 6.7736 7.6040 7.6040 9.1412 9.1412 9.4281 9.4281 10.0789 10.0789 10.3812 10.3812 10.6696 10.6696 k = 0.4875 0.3701 0.2986 ( 5684 PWs) bands (ev): -32.6222 -32.6222 -32.6209 -32.6209 -13.9301 -13.9301 -13.9280 -13.9280 -13.5783 -13.5783 -13.5765 -13.5765 -13.5208 -13.5208 -13.4970 -13.4970 -5.3526 -5.3526 -5.0872 -5.0872 -3.8355 -3.8355 -1.3588 -1.3588 -0.9506 -0.9506 0.1099 0.1099 2.8009 2.8009 3.3436 3.3436 3.5392 3.5392 4.7193 4.7193 4.8867 4.8867 5.5383 5.5383 6.0340 6.0340 6.3096 6.3096 6.4244 6.4244 6.7775 6.7775 7.6061 7.6061 9.1401 9.1401 9.4258 9.4258 10.0801 10.0801 10.3736 10.3736 10.6762 10.6762 k = 0.4750 0.3606 0.2909 ( 5686 PWs) bands (ev): -32.6223 -32.6223 -32.6208 -32.6208 -13.9306 -13.9306 -13.9274 -13.9274 -13.5788 -13.5788 -13.5760 -13.5760 -13.5208 -13.5208 -13.4970 -13.4970 -5.3810 -5.3810 -5.0570 -5.0570 -3.8340 -3.8340 -1.3599 -1.3599 -0.9547 -0.9547 0.1161 0.1161 2.8019 2.8019 3.3372 3.3372 3.5347 3.5347 4.7171 4.7171 4.8848 4.8848 5.5011 5.5011 6.0546 6.0546 6.3132 6.3132 6.4363 6.4363 6.7888 6.7888 7.6122 7.6122 9.1369 9.1369 9.4190 9.4190 10.0834 10.0834 10.3541 10.3541 10.6904 10.6904 k = 0.4625 0.3511 0.2833 ( 5686 PWs) bands (ev): -32.6224 -32.6224 -32.6206 -32.6206 -13.9312 -13.9312 -13.9267 -13.9267 -13.5793 -13.5793 -13.5754 -13.5754 -13.5209 -13.5209 -13.4970 -13.4970 -5.4190 -5.4190 -5.0159 -5.0159 -3.8316 -3.8316 -1.3616 -1.3616 -0.9613 -0.9613 0.1263 0.1263 2.8036 2.8036 3.3266 3.3266 3.5272 3.5272 4.7138 4.7138 4.8816 4.8816 5.4473 5.4473 6.0782 6.0782 6.3230 6.3230 6.4552 6.4552 6.8071 6.8071 7.6222 7.6222 9.1317 9.1317 9.4084 9.4084 10.0873 10.0873 10.3293 10.3293 10.6982 10.6982 k = 0.4500 0.3416 0.2756 ( 5684 PWs) bands (ev): -32.6226 -32.6226 -32.6204 -32.6204 -13.9318 -13.9318 -13.9259 -13.9259 -13.5797 -13.5797 -13.5747 -13.5747 -13.5210 -13.5210 -13.4970 -13.4970 -5.4617 -5.4617 -4.9690 -4.9690 -3.8281 -3.8281 -1.3641 -1.3641 -0.9705 -0.9705 0.1404 0.1404 2.8060 2.8060 3.3117 3.3117 3.5172 3.5172 4.7098 4.7098 4.8770 4.8770 5.3833 5.3833 6.0956 6.0956 6.3426 6.3426 6.4800 6.4800 6.8313 6.8313 7.6361 7.6361 9.1250 9.1250 9.3947 9.3947 10.0896 10.0896 10.3054 10.3054 10.6889 10.6889 k = 0.4375 0.3321 0.2680 ( 5686 PWs) bands (ev): -32.6228 -32.6228 -32.6202 -32.6202 -13.9324 -13.9324 -13.9250 -13.9250 -13.5802 -13.5802 -13.5740 -13.5740 -13.5211 -13.5211 -13.4971 -13.4971 -5.5065 -5.5065 -4.9186 -4.9186 -3.8237 -3.8237 -1.3673 -1.3673 -0.9821 -0.9821 0.1582 0.1582 2.8091 2.8091 3.2924 3.2924 3.5047 3.5047 4.7055 4.7055 4.8710 4.8710 5.3134 5.3134 6.1026 6.1026 6.3731 6.3731 6.5094 6.5094 6.8608 6.8608 7.6536 7.6536 9.1172 9.1172 9.3789 9.3789 10.0876 10.0876 10.2872 10.2872 10.6647 10.6647 k = 0.4250 0.3226 0.2603 ( 5693 PWs) bands (ev): -32.6230 -32.6230 -32.6200 -32.6200 -13.9330 -13.9330 -13.9242 -13.9242 -13.5807 -13.5807 -13.5732 -13.5732 -13.5213 -13.5213 -13.4971 -13.4971 -5.5522 -5.5522 -4.8662 -4.8662 -3.8184 -3.8184 -1.3712 -1.3712 -0.9958 -0.9958 0.1795 0.1795 2.8127 2.8127 3.2689 3.2689 3.4901 3.4901 4.7011 4.7011 4.8634 4.8634 5.2408 5.2408 6.1000 6.1000 6.4115 6.4115 6.5419 6.5419 6.8948 6.8948 7.6743 7.6743 9.1088 9.1088 9.3618 9.3618 10.0787 10.0787 10.2776 10.2776 10.6326 10.6326 k = 0.4125 0.3131 0.2527 ( 5689 PWs) bands (ev): -32.6232 -32.6232 -32.6198 -32.6198 -13.9335 -13.9335 -13.9233 -13.9233 -13.5812 -13.5812 -13.5724 -13.5724 -13.5214 -13.5214 -13.4971 -13.4971 -5.5981 -5.5981 -4.8123 -4.8123 -3.8121 -3.8121 -1.3759 -1.3759 -1.0116 -1.0116 0.2042 0.2042 2.8168 2.8168 3.2413 3.2413 3.4737 3.4737 4.6964 4.6964 4.8543 4.8543 5.1682 5.1682 6.0908 6.0908 6.4537 6.4537 6.5760 6.5760 6.9328 6.9328 7.6979 7.6979 9.1005 9.1005 9.3445 9.3445 10.0626 10.0626 10.2769 10.2769 10.5976 10.5976 k = 0.4000 0.3036 0.2450 ( 5694 PWs) bands (ev): -32.6234 -32.6234 -32.6196 -32.6196 -13.9341 -13.9341 -13.9224 -13.9224 -13.5816 -13.5816 -13.5716 -13.5716 -13.5216 -13.5216 -13.4971 -13.4971 -5.6438 -5.6438 -4.7574 -4.7574 -3.8049 -3.8049 -1.3813 -1.3813 -1.0293 -1.0293 0.2319 0.2319 2.8211 2.8211 3.2100 3.2100 3.4561 3.4561 4.6903 4.6903 4.8433 4.8433 5.0981 5.0981 6.0775 6.0775 6.4962 6.4962 6.6103 6.6103 6.9740 6.9740 7.7238 7.7238 9.0930 9.0930 9.3279 9.3279 10.0408 10.0408 10.2830 10.2830 10.5623 10.5623 k = 0.3875 0.2942 0.2374 ( 5697 PWs) bands (ev): -32.6236 -32.6236 -32.6194 -32.6194 -13.9346 -13.9346 -13.9214 -13.9214 -13.5820 -13.5820 -13.5707 -13.5707 -13.5219 -13.5219 -13.4971 -13.4971 -5.6891 -5.6891 -4.7017 -4.7017 -3.7968 -3.7968 -1.3874 -1.3874 -1.0486 -1.0486 0.2626 0.2626 2.8254 2.8254 3.1756 3.1756 3.4375 3.4375 4.6811 4.6811 4.8294 4.8294 5.0346 5.0346 6.0622 6.0622 6.5365 6.5365 6.6437 6.6437 7.0181 7.0181 7.7514 7.7514 9.0869 9.0869 9.3129 9.3129 10.0149 10.0149 10.2935 10.2935 10.5287 10.5287 k = 0.3750 0.2847 0.2297 ( 5696 PWs) bands (ev): -32.6239 -32.6239 -32.6192 -32.6192 -13.9351 -13.9351 -13.9204 -13.9204 -13.5824 -13.5824 -13.5698 -13.5698 -13.5221 -13.5221 -13.4971 -13.4971 -5.7338 -5.7338 -4.6454 -4.6454 -3.7879 -3.7879 -1.3943 -1.3943 -1.0695 -1.0695 0.2959 0.2959 2.8290 2.8290 3.1390 3.1390 3.4184 3.4184 4.6654 4.6654 4.8109 4.8109 4.9835 4.9835 6.0459 6.0459 6.5728 6.5728 6.6751 6.6751 7.0642 7.0642 7.7799 7.7799 9.0828 9.0828 9.3002 9.3002 9.9862 9.9862 10.3065 10.3065 10.4985 10.4985 k = 0.3625 0.2752 0.2220 ( 5698 PWs) bands (ev): -32.6241 -32.6241 -32.6190 -32.6190 -13.9356 -13.9356 -13.9194 -13.9194 -13.5829 -13.5829 -13.5689 -13.5689 -13.5224 -13.5224 -13.4971 -13.4971 -5.7776 -5.7776 -4.5887 -4.5887 -3.7781 -3.7781 -1.4020 -1.4020 -1.0918 -1.0918 0.3317 0.3317 2.8308 2.8308 3.1017 3.1017 3.3992 3.3992 4.6390 4.6390 4.7857 4.7857 4.9512 4.9512 6.0294 6.0294 6.6041 6.6041 6.7040 6.7040 7.1115 7.1115 7.8087 7.8087 9.0810 9.0810 9.2906 9.2906 9.9548 9.9548 10.3210 10.3210 10.4731 10.4731 k = 0.3500 0.2657 0.2144 ( 5700 PWs) bands (ev): -32.6243 -32.6243 -32.6188 -32.6188 -13.9361 -13.9361 -13.9184 -13.9184 -13.5833 -13.5833 -13.5680 -13.5680 -13.5226 -13.5226 -13.4971 -13.4971 -5.8207 -5.8207 -4.5315 -4.5315 -3.7675 -3.7675 -1.4104 -1.4104 -1.1154 -1.1154 0.3698 0.3698 2.8292 2.8292 3.0657 3.0657 3.3803 3.3803 4.5991 4.5991 4.7558 4.7558 4.9392 4.9392 6.0131 6.0131 6.6298 6.6298 6.7297 6.7297 7.1590 7.1590 7.8370 7.8370 9.0818 9.0818 9.2848 9.2848 9.9205 9.9205 10.3369 10.3369 10.4538 10.4538 k = 0.3375 0.2562 0.2067 ( 5701 PWs) bands (ev): -32.6245 -32.6245 -32.6186 -32.6186 -13.9366 -13.9366 -13.9174 -13.9174 -13.5837 -13.5837 -13.5670 -13.5670 -13.5229 -13.5229 -13.4971 -13.4971 -5.8628 -5.8628 -4.4741 -4.4741 -3.7562 -3.7562 -1.4195 -1.4195 -1.1403 -1.1403 0.4101 0.4101 2.8214 2.8214 3.0343 3.0343 3.3621 3.3621 4.5466 4.5466 4.7249 4.7249 4.9428 4.9428 5.9974 5.9974 6.6499 6.6499 6.7516 6.7516 7.2058 7.2058 7.8642 7.8642 9.0851 9.0851 9.2835 9.2835 9.8830 9.8830 10.3546 10.3546 10.4414 10.4414 k = 0.3250 0.2467 0.1991 ( 5701 PWs) bands (ev): -32.6247 -32.6247 -32.6185 -32.6185 -13.9371 -13.9371 -13.9163 -13.9163 -13.5841 -13.5841 -13.5660 -13.5660 -13.5233 -13.5233 -13.4971 -13.4971 -5.9039 -5.9039 -4.4165 -4.4165 -3.7442 -3.7442 -1.4294 -1.4294 -1.1662 -1.1662 0.4522 0.4522 2.8041 2.8041 3.0110 3.0110 3.3450 3.3450 4.4855 4.4855 4.6939 4.6939 4.9569 4.9569 5.9825 5.9825 6.6646 6.6646 6.7691 6.7691 7.2507 7.2507 7.8899 7.8899 9.0906 9.0906 9.2872 9.2872 9.8422 9.8422 10.3748 10.3748 10.4367 10.4367 k = 0.3125 0.2372 0.1914 ( 5710 PWs) bands (ev): -32.6249 -32.6249 -32.6183 -32.6183 -13.9375 -13.9375 -13.9152 -13.9152 -13.5845 -13.5845 -13.5649 -13.5649 -13.5236 -13.5236 -13.4971 -13.4971 -5.9439 -5.9439 -4.3588 -4.3588 -3.7315 -3.7315 -1.4400 -1.4400 -1.1932 -1.1932 0.4961 0.4961 2.7758 2.7758 2.9977 2.9977 3.3294 3.3294 4.4200 4.4200 4.6622 4.6622 4.9781 4.9781 5.9685 5.9685 6.6743 6.6743 6.7817 6.7817 7.2929 7.2929 7.9137 7.9137 9.0975 9.0975 9.2964 9.2964 9.7980 9.7980 10.3982 10.3982 10.4402 10.4402 k = 0.3000 0.2277 0.1838 ( 5708 PWs) bands (ev): -32.6251 -32.6251 -32.6181 -32.6181 -13.9380 -13.9380 -13.9142 -13.9142 -13.5849 -13.5849 -13.5639 -13.5639 -13.5239 -13.5239 -13.4971 -13.4971 -5.9828 -5.9828 -4.3010 -4.3010 -3.7181 -3.7181 -1.4512 -1.4512 -1.2212 -1.2212 0.5416 0.5416 2.7380 2.7380 2.9933 2.9933 3.3156 3.3156 4.3529 4.3529 4.6291 4.6291 5.0042 5.0042 5.9556 5.9556 6.6796 6.6796 6.7891 6.7891 7.3315 7.3315 7.9357 7.9357 9.1052 9.1052 9.3113 9.3113 9.7510 9.7510 10.4242 10.4242 10.4535 10.4535 k = 0.2875 0.2182 0.1761 ( 5703 PWs) bands (ev): -32.6253 -32.6253 -32.6179 -32.6179 -13.9384 -13.9384 -13.9131 -13.9131 -13.5853 -13.5853 -13.5628 -13.5628 -13.5242 -13.5242 -13.4970 -13.4970 -6.0205 -6.0205 -4.2433 -4.2433 -3.7042 -3.7042 -1.4632 -1.4632 -1.2500 -1.2500 0.5886 0.5886 2.6935 2.6935 2.9950 2.9950 3.3040 3.3040 4.2859 4.2859 4.5942 4.5942 5.0338 5.0338 5.9437 5.9437 6.6810 6.6810 6.7911 6.7911 7.3657 7.3657 7.9559 7.9559 9.1127 9.1127 9.3318 9.3318 9.7021 9.7021 10.4497 10.4497 10.4802 10.4802 k = 0.2750 0.2088 0.1684 ( 5699 PWs) bands (ev): -32.6254 -32.6254 -32.6177 -32.6177 -13.9388 -13.9388 -13.9120 -13.9120 -13.5857 -13.5857 -13.5617 -13.5617 -13.5246 -13.5246 -13.4970 -13.4970 -6.0570 -6.0570 -4.1856 -4.1856 -3.6898 -3.6898 -1.4757 -1.4757 -1.2798 -1.2798 0.6368 0.6368 2.6450 2.6450 3.0002 3.0002 3.2947 3.2947 4.2202 4.2202 4.5575 4.5575 5.0657 5.0657 5.9328 5.9328 6.6790 6.6790 6.7879 6.7879 7.3951 7.3951 7.9744 7.9744 9.1194 9.1194 9.3571 9.3571 9.6523 9.6523 10.4752 10.4752 10.5203 10.5203 k = 0.2625 0.1993 0.1608 ( 5698 PWs) bands (ev): -32.6256 -32.6256 -32.6176 -32.6176 -13.9392 -13.9392 -13.9109 -13.9109 -13.5861 -13.5861 -13.5606 -13.5606 -13.5249 -13.5249 -13.4969 -13.4969 -6.0922 -6.0922 -4.1281 -4.1281 -3.6750 -3.6750 -1.4889 -1.4889 -1.3104 -1.3104 0.6862 0.6862 2.5944 2.5944 3.0072 3.0072 3.2879 3.2879 4.1567 4.1567 4.5191 4.5191 5.0989 5.0989 5.9230 5.9230 6.6740 6.6740 6.7797 6.7797 7.4192 7.4192 7.9915 7.9915 9.1245 9.1245 9.3856 9.3856 9.6038 9.6038 10.5043 10.5043 10.5700 10.5700 k = 0.2500 0.1898 0.1531 ( 5705 PWs) bands (ev): -32.6258 -32.6258 -32.6174 -32.6174 -13.9396 -13.9396 -13.9099 -13.9099 -13.5865 -13.5865 -13.5595 -13.5595 -13.5253 -13.5253 -13.4969 -13.4969 -6.1261 -6.1261 -4.0710 -4.0710 -3.6598 -3.6598 -1.5026 -1.5026 -1.3417 -1.3417 0.7366 0.7366 2.5429 2.5429 3.0150 3.0150 3.2834 3.2834 4.0963 4.0963 4.4790 4.4790 5.1326 5.1326 5.9144 5.9144 6.6665 6.6665 6.7669 6.7669 7.4379 7.4379 8.0074 8.0074 9.1278 9.1278 9.4131 9.4131 9.5609 9.5609 10.5384 10.5384 10.6274 10.6274 k = 0.2375 0.1803 0.1455 ( 5705 PWs) bands (ev): -32.6259 -32.6259 -32.6172 -32.6172 -13.9400 -13.9400 -13.9088 -13.9088 -13.5869 -13.5869 -13.5584 -13.5584 -13.5257 -13.5257 -13.4968 -13.4968 -6.1586 -6.1586 -4.0142 -4.0142 -3.6442 -3.6442 -1.5167 -1.5167 -1.3738 -1.3738 0.7878 0.7878 2.4912 2.4912 3.0229 3.0229 3.2809 3.2809 4.0397 4.0397 4.4375 4.4375 5.1662 5.1662 5.9067 5.9067 6.6568 6.6568 6.7502 6.7502 7.4513 7.4513 8.0226 8.0226 9.1287 9.1287 9.4261 9.4261 9.5371 9.5371 10.5778 10.5778 10.6916 10.6916 k = 0.2250 0.1708 0.1378 ( 5704 PWs) bands (ev): -32.6261 -32.6261 -32.6171 -32.6171 -13.9404 -13.9404 -13.9078 -13.9078 -13.5873 -13.5873 -13.5572 -13.5572 -13.5261 -13.5261 -13.4967 -13.4967 -6.1897 -6.1897 -3.9579 -3.9579 -3.6284 -3.6284 -1.5313 -1.5313 -1.4064 -1.4064 0.8396 0.8396 2.4399 2.4399 3.0308 3.0308 3.2798 3.2798 3.9876 3.9876 4.3947 4.3947 5.1988 5.1988 5.9002 5.9002 6.6452 6.6452 6.7304 6.7304 7.4594 7.4594 8.0371 8.0371 9.1269 9.1269 9.4076 9.4076 9.5496 9.5496 10.6223 10.6223 10.7613 10.7613 k = 0.2125 0.1613 0.1302 ( 5702 PWs) bands (ev): -32.6263 -32.6263 -32.6170 -32.6170 -13.9407 -13.9407 -13.9068 -13.9068 -13.5878 -13.5878 -13.5561 -13.5561 -13.5265 -13.5265 -13.4966 -13.4966 -6.2194 -6.2194 -3.9023 -3.9023 -3.6124 -3.6124 -1.5462 -1.5462 -1.4396 -1.4396 0.8919 0.8919 2.3894 2.3894 3.0385 3.0385 3.2791 3.2791 3.9410 3.9410 4.3510 4.3510 5.2298 5.2298 5.8946 5.8946 6.6321 6.6321 6.7083 6.7083 7.4625 7.4625 8.0512 8.0512 9.1220 9.1220 9.3721 9.3721 9.5844 9.5844 10.6717 10.6717 10.8352 10.8352 k = 0.2000 0.1518 0.1225 ( 5707 PWs) bands (ev): -32.6264 -32.6264 -32.6168 -32.6168 -13.9411 -13.9411 -13.9058 -13.9058 -13.5882 -13.5882 -13.5549 -13.5549 -13.5270 -13.5270 -13.4965 -13.4965 -6.2476 -6.2476 -3.8476 -3.8476 -3.5962 -3.5962 -1.5614 -1.5614 -1.4730 -1.4730 0.9446 0.9446 2.3400 2.3400 3.0463 3.0463 3.2777 3.2777 3.9007 3.9007 4.3066 4.3066 5.2587 5.2587 5.8901 5.8901 6.6174 6.6174 6.6849 6.6849 7.4611 7.4611 8.0649 8.0649 9.1134 9.1134 9.3344 9.3344 9.6268 9.6268 10.7253 10.7253 10.9109 10.9109 k = 0.1875 0.1423 0.1148 ( 5705 PWs) bands (ev): -32.6265 -32.6265 -32.6167 -32.6167 -13.9414 -13.9414 -13.9049 -13.9049 -13.5886 -13.5886 -13.5538 -13.5538 -13.5274 -13.5274 -13.4964 -13.4964 -6.2743 -6.2743 -3.7940 -3.7940 -3.5798 -3.5798 -1.5769 -1.5769 -1.5066 -1.5066 0.9974 0.9974 2.2919 2.2919 3.0543 3.0543 3.2743 3.2743 3.8676 3.8676 4.2619 4.2619 5.2848 5.2848 5.8865 5.8865 6.6012 6.6012 6.6614 6.6614 7.4555 7.4555 8.0784 8.0784 9.1007 9.1007 9.2997 9.2997 9.6720 9.6720 10.7825 10.7825 10.9804 10.9804 k = 0.1750 0.1328 0.1072 ( 5704 PWs) bands (ev): -32.6267 -32.6267 -32.6166 -32.6166 -13.9417 -13.9417 -13.9040 -13.9040 -13.5890 -13.5890 -13.5527 -13.5527 -13.5279 -13.5279 -13.4963 -13.4963 -6.2995 -6.2995 -3.7418 -3.7418 -3.5633 -3.5633 -1.5930 -1.5930 -1.5398 -1.5398 1.0502 1.0502 2.2452 2.2452 3.0628 3.0628 3.2679 3.2679 3.8422 3.8422 4.2173 4.2173 5.3077 5.3077 5.8838 5.8838 6.5832 6.5832 6.6390 6.6390 7.4465 7.4465 8.0916 8.0916 9.0837 9.0837 9.2701 9.2701 9.7185 9.7185 10.8423 10.8423 11.0186 11.0186 k = 0.1625 0.1234 0.0995 ( 5705 PWs) bands (ev): -32.6268 -32.6268 -32.6164 -32.6164 -13.9420 -13.9420 -13.9031 -13.9031 -13.5894 -13.5894 -13.5515 -13.5515 -13.5284 -13.5284 -13.4961 -13.4961 -6.3230 -6.3230 -3.6914 -3.6914 -3.5464 -3.5464 -1.6103 -1.6103 -1.5718 -1.5718 1.1028 1.1028 2.2000 2.2000 3.0719 3.0719 3.2579 3.2579 3.8246 3.8246 4.1732 4.1732 5.3270 5.3270 5.8819 5.8819 6.5635 6.5635 6.6187 6.6187 7.4344 7.4344 8.1045 8.1045 9.0627 9.0627 9.2459 9.2459 9.7652 9.7652 10.9035 10.9035 11.0334 11.0334 k = 0.1500 0.1139 0.0919 ( 5709 PWs) bands (ev): -32.6269 -32.6269 -32.6163 -32.6163 -13.9424 -13.9424 -13.9023 -13.9023 -13.5897 -13.5897 -13.5504 -13.5504 -13.5289 -13.5289 -13.4960 -13.4960 -6.3450 -6.3450 -3.6438 -3.6438 -3.5287 -3.5287 -1.6307 -1.6307 -1.6000 -1.6000 1.1550 1.1550 2.1563 2.1563 3.0817 3.0817 3.2443 3.2443 3.8141 3.8141 4.1303 4.1303 5.3425 5.3425 5.8809 5.8809 6.5425 6.5425 6.6010 6.6010 7.4201 7.4201 8.1171 8.1171 9.0390 9.0390 9.2268 9.2268 9.8116 9.8116 10.9641 10.9641 11.0449 11.0449 k = 0.1375 0.1044 0.0842 ( 5711 PWs) bands (ev): -32.6270 -32.6270 -32.6162 -32.6162 -13.9426 -13.9426 -13.9015 -13.9015 -13.5901 -13.5901 -13.5493 -13.5493 -13.5295 -13.5295 -13.4958 -13.4958 -6.3653 -6.3653 -3.6001 -3.6001 -3.5093 -3.5093 -1.6567 -1.6567 -1.6218 -1.6218 1.2067 1.2067 2.1140 2.1140 3.0920 3.0920 3.2278 3.2278 3.8095 3.8095 4.0893 4.0893 5.3539 5.3539 5.8805 5.8805 6.5210 6.5210 6.5856 6.5856 7.4040 7.4040 8.1293 8.1293 9.0139 9.0139 9.2116 9.2116 9.8572 9.8572 11.0178 11.0178 11.0618 11.0618 k = 0.1250 0.0949 0.0766 ( 5715 PWs) bands (ev): -32.6271 -32.6271 -32.6162 -32.6162 -13.9429 -13.9429 -13.9008 -13.9008 -13.5905 -13.5905 -13.5482 -13.5482 -13.5301 -13.5301 -13.4957 -13.4957 -6.3839 -6.3839 -3.5627 -3.5627 -3.4863 -3.4863 -1.6866 -1.6866 -1.6385 -1.6385 1.2576 1.2576 2.0732 2.0732 3.1022 3.1022 3.2100 3.2100 3.8083 3.8083 4.0517 4.0517 5.3614 5.3614 5.8807 5.8807 6.5001 6.5001 6.5722 6.5722 7.3869 7.3869 8.1410 8.1410 8.9889 8.9889 9.1994 9.1994 9.9015 9.9015 11.0458 11.0458 11.1020 11.1020 k = 0.1125 0.0854 0.0689 ( 5719 PWs) bands (ev): -32.6272 -32.6272 -32.6161 -32.6161 -13.9431 -13.9431 -13.9001 -13.9001 -13.5908 -13.5908 -13.5471 -13.5471 -13.5307 -13.5307 -13.4955 -13.4955 -6.4008 -6.4008 -3.5337 -3.5337 -3.4581 -3.4581 -1.7173 -1.7173 -1.6526 -1.6526 1.3077 1.3077 2.0337 2.0337 3.1107 3.1107 3.1933 3.1933 3.8078 3.8078 4.0193 4.0193 5.3653 5.3653 5.8814 5.8814 6.4804 6.4804 6.5606 6.5606 7.3694 7.3694 8.1521 8.1521 8.9649 8.9649 9.1894 9.1894 9.9443 9.9443 11.0573 11.0573 11.1550 11.1550 k = 0.1000 0.0759 0.0613 ( 5719 PWs) bands (ev): -32.6273 -32.6273 -32.6160 -32.6160 -13.9434 -13.9434 -13.8995 -13.8995 -13.5911 -13.5911 -13.5460 -13.5460 -13.5314 -13.5314 -13.4954 -13.4954 -6.4160 -6.4160 -3.5125 -3.5125 -3.4257 -3.4257 -1.7473 -1.7473 -1.6651 -1.6651 1.3568 1.3568 1.9953 1.9953 3.1139 3.1139 3.1825 3.1825 3.8043 3.8043 3.9945 3.9945 5.3659 5.3659 5.8824 5.8824 6.4624 6.4624 6.5505 6.5505 7.3521 7.3521 8.1624 8.1624 8.9427 8.9427 9.1809 9.1809 9.9851 9.9851 11.0651 11.0651 11.2065 11.2065 k = 0.0875 0.0664 0.0536 ( 5718 PWs) bands (ev): -32.6274 -32.6274 -32.6159 -32.6159 -13.9436 -13.9436 -13.8990 -13.8990 -13.5913 -13.5913 -13.5449 -13.5449 -13.5321 -13.5321 -13.4952 -13.4952 -6.4295 -6.4295 -3.4967 -3.4967 -3.3922 -3.3922 -1.7758 -1.7758 -1.6763 -1.6763 1.4047 1.4047 1.9579 1.9579 3.1077 3.1077 3.1823 3.1823 3.7947 3.7947 3.9795 3.9795 5.3639 5.3639 5.8836 5.8836 6.4465 6.4465 6.5417 6.5417 7.3354 7.3354 8.1720 8.1720 8.9226 8.9226 9.1738 9.1738 10.0234 10.0234 11.0713 11.0713 11.2530 11.2530 k = 0.0750 0.0569 0.0459 ( 5717 PWs) bands (ev): -32.6274 -32.6274 -32.6159 -32.6159 -13.9437 -13.9437 -13.8985 -13.8985 -13.5916 -13.5916 -13.5439 -13.5439 -13.5328 -13.5328 -13.4951 -13.4951 -6.4413 -6.4413 -3.4844 -3.4844 -3.3600 -3.3600 -1.8021 -1.8021 -1.6861 -1.6861 1.4514 1.4514 1.9213 1.9213 3.0945 3.0945 3.1909 3.1909 3.7784 3.7784 3.9744 3.9744 5.3599 5.3599 5.8850 5.8850 6.4327 6.4327 6.5343 6.5343 7.3200 7.3200 8.1806 8.1806 8.9050 8.9050 9.1678 9.1678 10.0586 10.0586 11.0759 11.0759 11.2932 11.2932 k = 0.0625 0.0474 0.0383 ( 5717 PWs) bands (ev): -32.6275 -32.6275 -32.6158 -32.6158 -13.9439 -13.9439 -13.8981 -13.8981 -13.5918 -13.5918 -13.5428 -13.5428 -13.5335 -13.5335 -13.4950 -13.4950 -6.4512 -6.4512 -3.4744 -3.4744 -3.3309 -3.3309 -1.8257 -1.8257 -1.6946 -1.6946 1.4967 1.4967 1.8852 1.8852 3.0793 3.0793 3.2033 3.2033 3.7576 3.7576 3.9764 3.9764 5.3547 5.3547 5.8863 5.8863 6.4211 6.4211 6.5280 6.5280 7.3063 7.3063 8.1881 8.1881 8.8901 8.8901 9.1628 9.1628 10.0903 10.0903 11.0794 11.0794 11.3263 11.3263 k = 0.0500 0.0380 0.0306 ( 5716 PWs) bands (ev): -32.6275 -32.6275 -32.6158 -32.6158 -13.9440 -13.9440 -13.8978 -13.8978 -13.5919 -13.5919 -13.5418 -13.5418 -13.5342 -13.5342 -13.4949 -13.4949 -6.4594 -6.4594 -3.4665 -3.4665 -3.3057 -3.3057 -1.8460 -1.8460 -1.7017 -1.7017 1.5405 1.5405 1.8493 1.8493 3.0650 3.0650 3.2167 3.2167 3.7357 3.7357 3.9822 3.9822 5.3491 5.3491 5.8876 5.8876 6.4117 6.4117 6.5230 6.5230 7.2946 7.2946 8.1944 8.1944 8.8778 8.8778 9.1587 9.1587 10.1176 10.1176 11.0816 11.0816 11.3524 11.3524 k = 0.0375 0.0285 0.0230 ( 5716 PWs) bands (ev): -32.6276 -32.6276 -32.6158 -32.6158 -13.9441 -13.9441 -13.8975 -13.8975 -13.5921 -13.5921 -13.5409 -13.5409 -13.5350 -13.5350 -13.4948 -13.4948 -6.4657 -6.4657 -3.4603 -3.4603 -3.2854 -3.2854 -1.8624 -1.8624 -1.7073 -1.7073 1.5830 1.5830 1.8134 1.8134 3.0529 3.0529 3.2292 3.2292 3.7155 3.7155 3.9889 3.9889 5.3438 5.3438 5.8886 5.8886 6.4045 6.4045 6.5191 6.5191 7.2852 7.2852 8.1994 8.1994 8.8683 8.8683 9.1556 9.1556 10.1399 10.1399 11.0828 11.0828 11.3717 11.3717 k = 0.0250 0.0190 0.0153 ( 5712 PWs) bands (ev): -32.6276 -32.6276 -32.6157 -32.6157 -13.9441 -13.9441 -13.8973 -13.8973 -13.5922 -13.5922 -13.5400 -13.5400 -13.5358 -13.5358 -13.4948 -13.4948 -6.4703 -6.4703 -3.4560 -3.4560 -3.2704 -3.2704 -1.8745 -1.8745 -1.7113 -1.7113 1.6240 1.6240 1.7773 1.7773 3.0439 3.0439 3.2394 3.2394 3.6993 3.6993 3.9948 3.9948 5.3395 5.3395 5.8894 5.8894 6.3993 6.3993 6.5163 6.5163 7.2783 7.2783 8.2031 8.2031 8.8615 8.8615 9.1533 9.1533 10.1564 10.1564 11.0834 11.0834 11.3848 11.3848 k = 0.0125 0.0095 0.0077 ( 5713 PWs) bands (ev): -32.6276 -32.6276 -32.6157 -32.6157 -13.9442 -13.9442 -13.8972 -13.8972 -13.5922 -13.5922 -13.5392 -13.5392 -13.5364 -13.5364 -13.4947 -13.4947 -6.4730 -6.4730 -3.4534 -3.4534 -3.2612 -3.2612 -1.8820 -1.8820 -1.7138 -1.7138 1.6635 1.6635 1.7408 1.7408 3.0383 3.0383 3.2462 3.2462 3.6888 3.6888 3.9988 3.9988 5.3367 5.3367 5.8899 5.8899 6.3963 6.3963 6.5146 6.5146 7.2741 7.2741 8.2053 8.2053 8.8574 8.8574 9.1520 9.1520 10.1666 10.1666 11.0836 11.0836 11.3923 11.3923 k = 0.0000 0.0000 0.0000 ( 5711 PWs) bands (ev): -32.6276 -32.6276 -32.6157 -32.6157 -13.9442 -13.9442 -13.8972 -13.8972 -13.5922 -13.5922 -13.5388 -13.5388 -13.5368 -13.5368 -13.4947 -13.4947 -6.4739 -6.4739 -3.4525 -3.4525 -3.2581 -3.2581 -1.8845 -1.8845 -1.7146 -1.7146 1.6961 1.6961 1.7092 1.7092 3.0364 3.0364 3.2485 3.2485 3.6852 3.6852 4.0002 4.0002 5.3357 5.3357 5.8901 5.8901 6.3953 6.3953 6.5141 6.5141 7.2727 7.2727 8.2061 8.2061 8.8560 8.8560 9.1515 9.1515 10.1700 10.1700 11.0836 11.0836 11.3948 11.3948 Writing output data file CaP3.save init_run : 0.42s CPU 0.65s WALL ( 1 calls) electrons : 331.36s CPU 336.24s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 331.35s CPU 336.23s 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 0.00s WALL ( 1 calls) newd : 0.12s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.12s WALL ( 252 calls) cegterg : 312.38s CPU 315.63s WALL ( 706 calls) Called by sum_band: Called by *egterg: h_psi : 165.41s CPU 167.58s WALL ( 12544 calls) s_psi : 19.88s CPU 19.91s WALL ( 12544 calls) g_psi : 0.48s CPU 0.47s WALL ( 11586 calls) cdiaghg : 105.60s CPU 107.04s WALL ( 11838 calls) cegterg:over : 12.93s CPU 12.95s WALL ( 11586 calls) cegterg:upda : 12.62s CPU 12.58s WALL ( 11586 calls) cegterg:last : 4.95s CPU 4.85s WALL ( 1470 calls) cdiaghg:chol : 5.85s CPU 6.15s WALL ( 11838 calls) cdiaghg:inve : 4.33s CPU 4.19s WALL ( 11838 calls) cdiaghg:para : 6.77s CPU 6.83s WALL ( 23676 calls) Called by h_psi: h_psi:vloc : 127.70s CPU 129.72s WALL ( 12544 calls) h_psi:vnl : 37.24s CPU 37.35s WALL ( 12544 calls) add_vuspsi : 20.80s CPU 20.93s WALL ( 12544 calls) General routines calbec : 16.39s CPU 16.38s WALL ( 12544 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 119.71s CPU 121.63s WALL ( 1130568 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.25s WALL ( 504 calls) Parallel routines fft_scatter : 40.67s CPU 41.19s WALL ( 1130591 calls) PWSCF : 5m49.19s CPU 6m30.16s WALL This run was terminated on: 16:36: 1 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=