Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:17: 6 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: ./MgCdxCO3x2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 129 48 13 5264 1176 178 Max 130 49 14 5267 1193 182 Sum 4675 1731 493 189559 42547 6475 bravais-lattice index = 14 lattice parameter (alat) = 11.1460 a.u. unit-cell volume = 695.3139 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 4 number of electrons = 66.00 number of Kohn-Sham states= 80 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.146003 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.672026 celldm(5)= 0.672026 celldm(6)= 0.672026 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.672026 0.740528 0.000000 ) a(3) = ( 0.672026 0.297635 0.678082 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.907496 -0.592735 ) b(2) = ( 0.000000 1.350388 -0.592735 ) b(3) = ( 0.000000 0.000000 1.474749 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 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 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Cd 12.00 112.41100 Cd( 1.00) Mg 10.00 24.30500 Mg( 1.00) C 4.00 12.01070 C( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 279 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 2) = ( 0.0125000 -0.0113437 -0.0074092), wk = 0.0035842 k( 3) = ( 0.0250000 -0.0226874 -0.0148184), wk = 0.0035842 k( 4) = ( 0.0375000 -0.0340311 -0.0222276), wk = 0.0035842 k( 5) = ( 0.0500000 -0.0453748 -0.0296368), wk = 0.0035842 k( 6) = ( 0.0625000 -0.0567185 -0.0370460), wk = 0.0035842 k( 7) = ( 0.0750000 -0.0680622 -0.0444552), wk = 0.0035842 k( 8) = ( 0.0875000 -0.0794059 -0.0518644), wk = 0.0035842 k( 9) = ( 0.1000000 -0.0907496 -0.0592735), wk = 0.0035842 k( 10) = ( 0.1125000 -0.1020932 -0.0666827), wk = 0.0035842 k( 11) = ( 0.1250000 -0.1134369 -0.0740919), wk = 0.0035842 k( 12) = ( 0.1375000 -0.1247806 -0.0815011), wk = 0.0035842 k( 13) = ( 0.1500000 -0.1361243 -0.0889103), wk = 0.0035842 k( 14) = ( 0.1625000 -0.1474680 -0.0963195), wk = 0.0035842 k( 15) = ( 0.1750000 -0.1588117 -0.1037287), wk = 0.0035842 k( 16) = ( 0.1875000 -0.1701554 -0.1111379), wk = 0.0035842 k( 17) = ( 0.2000000 -0.1814991 -0.1185471), wk = 0.0035842 k( 18) = ( 0.2125000 -0.1928428 -0.1259563), wk = 0.0035842 k( 19) = ( 0.2250000 -0.2041865 -0.1333655), wk = 0.0035842 k( 20) = ( 0.2375000 -0.2155302 -0.1407747), wk = 0.0035842 k( 21) = ( 0.2500000 -0.2268739 -0.1481839), wk = 0.0035842 k( 22) = ( 0.2625000 -0.2382176 -0.1555931), wk = 0.0035842 k( 23) = ( 0.2750000 -0.2495613 -0.1630023), wk = 0.0035842 k( 24) = ( 0.2875000 -0.2609050 -0.1704114), wk = 0.0035842 k( 25) = ( 0.3000000 -0.2722487 -0.1778206), wk = 0.0035842 k( 26) = ( 0.3125000 -0.2835923 -0.1852298), wk = 0.0035842 k( 27) = ( 0.3250000 -0.2949360 -0.1926390), wk = 0.0035842 k( 28) = ( 0.3375000 -0.3062797 -0.2000482), wk = 0.0035842 k( 29) = ( 0.3500000 -0.3176234 -0.2074574), wk = 0.0035842 k( 30) = ( 0.3625000 -0.3289671 -0.2148666), wk = 0.0035842 k( 31) = ( 0.3750000 -0.3403108 -0.2222758), wk = 0.0035842 k( 32) = ( 0.3875000 -0.3516545 -0.2296850), wk = 0.0035842 k( 33) = ( 0.4000000 -0.3629982 -0.2370942), wk = 0.0035842 k( 34) = ( 0.4125000 -0.3743419 -0.2445034), wk = 0.0035842 k( 35) = ( 0.4250000 -0.3856856 -0.2519126), wk = 0.0035842 k( 36) = ( 0.4375000 -0.3970293 -0.2593218), wk = 0.0035842 k( 37) = ( 0.4500000 -0.4083730 -0.2667310), wk = 0.0035842 k( 38) = ( 0.4625000 -0.4197167 -0.2741402), wk = 0.0035842 k( 39) = ( 0.4750000 -0.4310604 -0.2815494), wk = 0.0035842 k( 40) = ( 0.4875000 -0.4424041 -0.2889585), wk = 0.0035842 k( 41) = ( 0.5000000 -0.4537478 -0.2963677), wk = 0.0035842 k( 42) = ( 0.5000000 -0.4537478 -0.2963677), wk = 0.0035842 k( 43) = ( 0.5000000 -0.4438151 -0.3115749), wk = 0.0035842 k( 44) = ( 0.5000000 -0.4338825 -0.3267820), wk = 0.0035842 k( 45) = ( 0.5000000 -0.4239499 -0.3419891), wk = 0.0035842 k( 46) = ( 0.5000000 -0.4140173 -0.3571962), wk = 0.0035842 k( 47) = ( 0.5000000 -0.4040847 -0.3724034), wk = 0.0035842 k( 48) = ( 0.5000000 -0.3941521 -0.3876105), wk = 0.0035842 k( 49) = ( 0.5000000 -0.3842195 -0.4028176), wk = 0.0035842 k( 50) = ( 0.5000000 -0.3742869 -0.4180247), wk = 0.0035842 k( 51) = ( 0.5000000 -0.3643542 -0.4332318), wk = 0.0035842 k( 52) = ( 0.5000000 -0.3544216 -0.4484390), wk = 0.0035842 k( 53) = ( 0.5000000 -0.3444890 -0.4636461), wk = 0.0035842 k( 54) = ( 0.5000000 -0.3345564 -0.4788532), wk = 0.0035842 k( 55) = ( 0.5000000 -0.3246238 -0.4940603), wk = 0.0035842 k( 56) = ( 0.5000000 -0.3146912 -0.5092674), wk = 0.0035842 k( 57) = ( 0.5000000 -0.3047586 -0.5244746), wk = 0.0035842 k( 58) = ( 0.5000000 -0.2948259 -0.5396817), wk = 0.0035842 k( 59) = ( 0.5000000 -0.2848933 -0.5548888), wk = 0.0035842 k( 60) = ( 0.5000000 -0.2749607 -0.5700960), wk = 0.0035842 k( 61) = ( 0.5000000 -0.2650281 -0.5853031), wk = 0.0035842 k( 62) = ( 0.5000000 -0.2550955 -0.6005102), wk = 0.0035842 k( 63) = ( 0.5000000 -0.2451629 -0.6157173), wk = 0.0035842 k( 64) = ( 0.5000000 -0.2352303 -0.6309244), wk = 0.0035842 k( 65) = ( 0.5000000 -0.2252977 -0.6461316), wk = 0.0035842 k( 66) = ( 0.5000000 -0.2153650 -0.6613387), wk = 0.0035842 k( 67) = ( 0.5000000 -0.2054324 -0.6765458), wk = 0.0035842 k( 68) = ( 0.5000000 -0.1954998 -0.6917529), wk = 0.0035842 k( 69) = ( 0.5000000 -0.1855672 -0.7069600), wk = 0.0035842 k( 70) = ( 0.5000000 -0.1756346 -0.7221672), wk = 0.0035842 k( 71) = ( 0.5000000 -0.1657020 -0.7373743), wk = 0.0035842 k( 72) = ( 0.7866941 -0.0387273 -0.4480966), wk = 0.0035842 k( 73) = ( 0.7791495 -0.0318806 -0.4324983), wk = 0.0035842 k( 74) = ( 0.7716049 -0.0250339 -0.4169000), wk = 0.0035842 k( 75) = ( 0.7640604 -0.0181873 -0.4013017), wk = 0.0035842 k( 76) = ( 0.7565158 -0.0113406 -0.3857034), wk = 0.0035842 k( 77) = ( 0.7489712 -0.0044939 -0.3701051), wk = 0.0035842 k( 78) = ( 0.7414266 0.0023527 -0.3545068), wk = 0.0035842 k( 79) = ( 0.7338820 0.0091994 -0.3389085), wk = 0.0035842 k( 80) = ( 0.7263374 0.0160461 -0.3233102), wk = 0.0035842 k( 81) = ( 0.7187929 0.0228928 -0.3077119), wk = 0.0035842 k( 82) = ( 0.7112483 0.0297394 -0.2921136), wk = 0.0035842 k( 83) = ( 0.7037037 0.0365861 -0.2765153), wk = 0.0035842 k( 84) = ( 0.6961591 0.0434328 -0.2609170), wk = 0.0035842 k( 85) = ( 0.6886145 0.0502795 -0.2453187), wk = 0.0035842 k( 86) = ( 0.6810700 0.0571261 -0.2297204), wk = 0.0035842 k( 87) = ( 0.6735254 0.0639728 -0.2141221), wk = 0.0035842 k( 88) = ( 0.6659808 0.0708195 -0.1985238), wk = 0.0035842 k( 89) = ( 0.6584362 0.0776662 -0.1829255), wk = 0.0035842 k( 90) = ( 0.6508916 0.0845128 -0.1673272), wk = 0.0035842 k( 91) = ( 0.6433471 0.0913595 -0.1517289), wk = 0.0035842 k( 92) = ( 0.6358025 0.0982062 -0.1361306), wk = 0.0035842 k( 93) = ( 0.6282579 0.1050529 -0.1205323), wk = 0.0035842 k( 94) = ( 0.6207133 0.1118995 -0.1049340), wk = 0.0035842 k( 95) = ( 0.6131687 0.1187462 -0.0893357), wk = 0.0035842 k( 96) = ( 0.6056241 0.1255929 -0.0737374), wk = 0.0035842 k( 97) = ( 0.5980796 0.1324396 -0.0581391), wk = 0.0035842 k( 98) = ( 0.5905350 0.1392862 -0.0425408), wk = 0.0035842 k( 99) = ( 0.5829904 0.1461329 -0.0269425), wk = 0.0035842 k( 100) = ( 0.5754458 0.1529796 -0.0113442), wk = 0.0035842 k( 101) = ( 0.5679012 0.1598262 0.0042541), wk = 0.0035842 k( 102) = ( 0.5603567 0.1666729 0.0198524), wk = 0.0035842 k( 103) = ( 0.5528121 0.1735196 0.0354507), wk = 0.0035842 k( 104) = ( 0.5452675 0.1803663 0.0510490), wk = 0.0035842 k( 105) = ( 0.5377229 0.1872129 0.0666473), wk = 0.0035842 k( 106) = ( 0.5301783 0.1940596 0.0822456), wk = 0.0035842 k( 107) = ( 0.5226337 0.2009063 0.0978439), wk = 0.0035842 k( 108) = ( 0.5150892 0.2077530 0.1134422), wk = 0.0035842 k( 109) = ( 0.5075446 0.2145996 0.1290405), wk = 0.0035842 k( 110) = ( 0.5000000 0.2214463 0.1446388), wk = 0.0035842 k( 111) = ( 0.5000000 0.2214463 0.1446388), wk = 0.0035842 k( 112) = ( 0.4838710 0.2143029 0.1399731), wk = 0.0035842 k( 113) = ( 0.4677419 0.2071595 0.1353073), wk = 0.0035842 k( 114) = ( 0.4516129 0.2000160 0.1306415), wk = 0.0035842 k( 115) = ( 0.4354839 0.1928726 0.1259758), wk = 0.0035842 k( 116) = ( 0.4193548 0.1857292 0.1213100), wk = 0.0035842 k( 117) = ( 0.4032258 0.1785857 0.1166442), wk = 0.0035842 k( 118) = ( 0.3870968 0.1714423 0.1119784), wk = 0.0035842 k( 119) = ( 0.3709677 0.1642989 0.1073127), wk = 0.0035842 k( 120) = ( 0.3548387 0.1571554 0.1026469), wk = 0.0035842 k( 121) = ( 0.3387097 0.1500120 0.0979811), wk = 0.0035842 k( 122) = ( 0.3225807 0.1428686 0.0933154), wk = 0.0035842 k( 123) = ( 0.3064516 0.1357252 0.0886496), wk = 0.0035842 k( 124) = ( 0.2903226 0.1285817 0.0839838), wk = 0.0035842 k( 125) = ( 0.2741936 0.1214383 0.0793181), wk = 0.0035842 k( 126) = ( 0.2580645 0.1142949 0.0746523), wk = 0.0035842 k( 127) = ( 0.2419355 0.1071514 0.0699865), wk = 0.0035842 k( 128) = ( 0.2258064 0.1000080 0.0653208), wk = 0.0035842 k( 129) = ( 0.2096774 0.0928646 0.0606550), wk = 0.0035842 k( 130) = ( 0.1935484 0.0857212 0.0559892), wk = 0.0035842 k( 131) = ( 0.1774194 0.0785777 0.0513235), wk = 0.0035842 k( 132) = ( 0.1612903 0.0714343 0.0466577), wk = 0.0035842 k( 133) = ( 0.1451613 0.0642909 0.0419919), wk = 0.0035842 k( 134) = ( 0.1290323 0.0571474 0.0373261), wk = 0.0035842 k( 135) = ( 0.1129032 0.0500040 0.0326604), wk = 0.0035842 k( 136) = ( 0.0967742 0.0428606 0.0279946), wk = 0.0035842 k( 137) = ( 0.0806452 0.0357171 0.0233288), wk = 0.0035842 k( 138) = ( 0.0645161 0.0285737 0.0186631), wk = 0.0035842 k( 139) = ( 0.0483871 0.0214303 0.0139973), wk = 0.0035842 k( 140) = ( 0.0322581 0.0142869 0.0093315), wk = 0.0035842 k( 141) = ( 0.0161290 0.0071434 0.0046658), wk = 0.0035842 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 144) = ( 0.0075884 -0.0068864 -0.0156888), wk = 0.0035842 k( 145) = ( 0.0151767 -0.0137728 -0.0313776), wk = 0.0035842 k( 146) = ( 0.0227651 -0.0206592 -0.0470664), wk = 0.0035842 k( 147) = ( 0.0303534 -0.0275456 -0.0627553), wk = 0.0035842 k( 148) = ( 0.0379418 -0.0344320 -0.0784441), wk = 0.0035842 k( 149) = ( 0.0455302 -0.0413184 -0.0941329), wk = 0.0035842 k( 150) = ( 0.0531185 -0.0482048 -0.1098217), wk = 0.0035842 k( 151) = ( 0.0607069 -0.0550912 -0.1255105), wk = 0.0035842 k( 152) = ( 0.0682953 -0.0619776 -0.1411993), wk = 0.0035842 k( 153) = ( 0.0758836 -0.0688640 -0.1568882), wk = 0.0035842 k( 154) = ( 0.0834720 -0.0757504 -0.1725770), wk = 0.0035842 k( 155) = ( 0.0910603 -0.0826368 -0.1882658), wk = 0.0035842 k( 156) = ( 0.0986487 -0.0895232 -0.2039546), wk = 0.0035842 k( 157) = ( 0.1062370 -0.0964096 -0.2196434), wk = 0.0035842 k( 158) = ( 0.1138254 -0.1032960 -0.2353322), wk = 0.0035842 k( 159) = ( 0.1214138 -0.1101825 -0.2510210), wk = 0.0035842 k( 160) = ( 0.1290021 -0.1170689 -0.2667098), wk = 0.0035842 k( 161) = ( 0.1365905 -0.1239553 -0.2823987), wk = 0.0035842 k( 162) = ( 0.1441788 -0.1308417 -0.2980875), wk = 0.0035842 k( 163) = ( 0.1517672 -0.1377281 -0.3137763), wk = 0.0035842 k( 164) = ( 0.1593556 -0.1446145 -0.3294651), wk = 0.0035842 k( 165) = ( 0.1669439 -0.1515009 -0.3451539), wk = 0.0035842 k( 166) = ( 0.1745323 -0.1583873 -0.3608428), wk = 0.0035842 k( 167) = ( 0.1821207 -0.1652737 -0.3765316), wk = 0.0035842 k( 168) = ( 0.1897090 -0.1721601 -0.3922204), wk = 0.0035842 k( 169) = ( 0.1972974 -0.1790465 -0.4079092), wk = 0.0035842 k( 170) = ( 0.2048857 -0.1859329 -0.4235980), wk = 0.0035842 k( 171) = ( 0.2124741 -0.1928193 -0.4392868), wk = 0.0035842 k( 172) = ( 0.2200625 -0.1997057 -0.4549756), wk = 0.0035842 k( 173) = ( 0.2276508 -0.2065921 -0.4706644), wk = 0.0035842 k( 174) = ( 0.2352392 -0.2134785 -0.4863533), wk = 0.0035842 k( 175) = ( 0.2428275 -0.2203649 -0.5020421), wk = 0.0035842 k( 176) = ( 0.2504159 -0.2272513 -0.5177309), wk = 0.0035842 k( 177) = ( 0.2580043 -0.2341377 -0.5334197), wk = 0.0035842 k( 178) = ( 0.2655926 -0.2410241 -0.5491085), wk = 0.0035842 k( 179) = ( 0.2731810 -0.2479105 -0.5647973), wk = 0.0035842 k( 180) = ( 0.2807693 -0.2547969 -0.5804862), wk = 0.0035842 k( 181) = ( 0.2883577 -0.2616833 -0.5961750), wk = 0.0035842 k( 182) = ( 0.2959461 -0.2685697 -0.6118638), wk = 0.0035842 k( 183) = ( 0.3035344 -0.2754561 -0.6275526), wk = 0.0035842 k( 184) = ( 0.3111228 -0.2823425 -0.6432414), wk = 0.0035842 k( 185) = ( 0.3187111 -0.2892289 -0.6589302), wk = 0.0035842 k( 186) = ( 0.3262995 -0.2961153 -0.6746190), wk = 0.0035842 k( 187) = ( 0.3338879 -0.3030017 -0.6903079), wk = 0.0035842 k( 188) = ( 0.3414762 -0.3098881 -0.7059967), wk = 0.0035842 k( 189) = ( 0.3490646 -0.3167745 -0.7216855), wk = 0.0035842 k( 190) = ( 0.3566530 -0.3236609 -0.7373743), wk = 0.0035842 k( 191) = ( 0.6433471 -0.1022146 -0.5927355), wk = 0.0035842 k( 192) = ( 0.6358025 -0.0851799 -0.5927355), wk = 0.0035842 k( 193) = ( 0.6282579 -0.0681451 -0.5927355), wk = 0.0035842 k( 194) = ( 0.6207133 -0.0511103 -0.5927355), wk = 0.0035842 k( 195) = ( 0.6131687 -0.0340755 -0.5927355), wk = 0.0035842 k( 196) = ( 0.6056241 -0.0170407 -0.5927355), wk = 0.0035842 k( 197) = ( 0.5980796 -0.0000059 -0.5927355), wk = 0.0035842 k( 198) = ( 0.5905350 0.0170289 -0.5927355), wk = 0.0035842 k( 199) = ( 0.5829904 0.0340636 -0.5927355), wk = 0.0035842 k( 200) = ( 0.5754458 0.0510985 -0.5927355), wk = 0.0035842 k( 201) = ( 0.5679012 0.0681332 -0.5927355), wk = 0.0035842 k( 202) = ( 0.5603567 0.0851680 -0.5927355), wk = 0.0035842 k( 203) = ( 0.5528121 0.1022028 -0.5927355), wk = 0.0035842 k( 204) = ( 0.5452675 0.1192376 -0.5927355), wk = 0.0035842 k( 205) = ( 0.5377229 0.1362724 -0.5927355), wk = 0.0035842 k( 206) = ( 0.5301783 0.1533072 -0.5927355), wk = 0.0035842 k( 207) = ( 0.5226337 0.1703420 -0.5927355), wk = 0.0035842 k( 208) = ( 0.5150892 0.1873767 -0.5927355), wk = 0.0035842 k( 209) = ( 0.5075446 0.2044115 -0.5927355), wk = 0.0035842 k( 210) = ( 0.5000000 0.2214463 -0.5927355), wk = 0.0035842 k( 211) = ( 0.5000000 0.2214463 -0.5927355), wk = 0.0035842 k( 212) = ( 0.5119456 0.2267369 -0.5806822), wk = 0.0035842 k( 213) = ( 0.5238912 0.2320275 -0.5686290), wk = 0.0035842 k( 214) = ( 0.5358368 0.2373181 -0.5565758), wk = 0.0035842 k( 215) = ( 0.5477823 0.2426088 -0.5445225), wk = 0.0035842 k( 216) = ( 0.5597279 0.2478994 -0.5324693), wk = 0.0035842 k( 217) = ( 0.5716735 0.2531900 -0.5204161), wk = 0.0035842 k( 218) = ( 0.5836191 0.2584806 -0.5083628), wk = 0.0035842 k( 219) = ( 0.5955647 0.2637712 -0.4963096), wk = 0.0035842 k( 220) = ( 0.6075103 0.2690618 -0.4842564), wk = 0.0035842 k( 221) = ( 0.6194559 0.2743524 -0.4722031), wk = 0.0035842 k( 222) = ( 0.6314015 0.2796430 -0.4601499), wk = 0.0035842 k( 223) = ( 0.6433471 0.2849337 -0.4480966), wk = 0.0035842 k( 224) = ( 0.6433471 0.2849337 -0.4480966), wk = 0.0035842 k( 225) = ( 0.6390032 0.2830098 -0.4301350), wk = 0.0035842 k( 226) = ( 0.6346593 0.2810859 -0.4121733), wk = 0.0035842 k( 227) = ( 0.6303155 0.2791621 -0.3942116), wk = 0.0035842 k( 228) = ( 0.6259716 0.2772382 -0.3762499), wk = 0.0035842 k( 229) = ( 0.6216278 0.2753144 -0.3582883), wk = 0.0035842 k( 230) = ( 0.6172840 0.2733905 -0.3403266), wk = 0.0035842 k( 231) = ( 0.6129401 0.2714666 -0.3223649), wk = 0.0035842 k( 232) = ( 0.6085962 0.2695428 -0.3044032), wk = 0.0035842 k( 233) = ( 0.6042524 0.2676189 -0.2864415), wk = 0.0035842 k( 234) = ( 0.5999085 0.2656951 -0.2684798), wk = 0.0035842 k( 235) = ( 0.5955647 0.2637712 -0.2505182), wk = 0.0035842 k( 236) = ( 0.5912209 0.2618474 -0.2325565), wk = 0.0035842 k( 237) = ( 0.5868770 0.2599235 -0.2145948), wk = 0.0035842 k( 238) = ( 0.5825332 0.2579996 -0.1966331), wk = 0.0035842 k( 239) = ( 0.5781893 0.2560758 -0.1786714), wk = 0.0035842 k( 240) = ( 0.5738454 0.2541519 -0.1607098), wk = 0.0035842 k( 241) = ( 0.5695016 0.2522281 -0.1427481), wk = 0.0035842 k( 242) = ( 0.5651578 0.2503042 -0.1247864), wk = 0.0035842 k( 243) = ( 0.5608139 0.2483803 -0.1068247), wk = 0.0035842 k( 244) = ( 0.5564701 0.2464565 -0.0888630), wk = 0.0035842 k( 245) = ( 0.5521262 0.2445326 -0.0709014), wk = 0.0035842 k( 246) = ( 0.5477823 0.2426088 -0.0529397), wk = 0.0035842 k( 247) = ( 0.5434385 0.2406849 -0.0349780), wk = 0.0035842 k( 248) = ( 0.5390947 0.2387610 -0.0170163), wk = 0.0035842 k( 249) = ( 0.5347508 0.2368372 0.0009454), wk = 0.0035842 k( 250) = ( 0.5304070 0.2349133 0.0189071), wk = 0.0035842 k( 251) = ( 0.5260631 0.2329895 0.0368687), wk = 0.0035842 k( 252) = ( 0.5217192 0.2310656 0.0548304), wk = 0.0035842 k( 253) = ( 0.5173754 0.2291417 0.0727921), wk = 0.0035842 k( 254) = ( 0.5130316 0.2272179 0.0907538), wk = 0.0035842 k( 255) = ( 0.5086877 0.2252940 0.1087155), wk = 0.0035842 k( 256) = ( 0.5043439 0.2233702 0.1266771), wk = 0.0035842 k( 257) = ( 0.5000000 0.2214463 0.1446388), wk = 0.0035842 k( 258) = ( 0.5000000 -0.4537478 -0.2963677), wk = 0.0035842 k( 259) = ( 0.5136521 -0.4432027 -0.2894802), wk = 0.0035842 k( 260) = ( 0.5273042 -0.4326576 -0.2825926), wk = 0.0035842 k( 261) = ( 0.5409563 -0.4221126 -0.2757050), wk = 0.0035842 k( 262) = ( 0.5546084 -0.4115675 -0.2688175), wk = 0.0035842 k( 263) = ( 0.5682605 -0.4010224 -0.2619299), wk = 0.0035842 k( 264) = ( 0.5819126 -0.3904774 -0.2550424), wk = 0.0035842 k( 265) = ( 0.5955647 -0.3799323 -0.2481548), wk = 0.0035842 k( 266) = ( 0.6092168 -0.3693873 -0.2412672), wk = 0.0035842 k( 267) = ( 0.6228689 -0.3588422 -0.2343797), wk = 0.0035842 k( 268) = ( 0.6365210 -0.3482971 -0.2274921), wk = 0.0035842 k( 269) = ( 0.6501731 -0.3377521 -0.2206045), wk = 0.0035842 k( 270) = ( 0.6638252 -0.3272070 -0.2137170), wk = 0.0035842 k( 271) = ( 0.6774773 -0.3166619 -0.2068294), wk = 0.0035842 k( 272) = ( 0.6911294 -0.3061169 -0.1999419), wk = 0.0035842 k( 273) = ( 0.7047815 -0.2955718 -0.1930543), wk = 0.0035842 k( 274) = ( 0.7184336 -0.2850268 -0.1861667), wk = 0.0035842 k( 275) = ( 0.7320857 -0.2744817 -0.1792792), wk = 0.0035842 k( 276) = ( 0.7457378 -0.2639366 -0.1723916), wk = 0.0035842 k( 277) = ( 0.7593899 -0.2533916 -0.1655040), wk = 0.0035842 k( 278) = ( 0.7730420 -0.2428465 -0.1586165), wk = 0.0035842 k( 279) = ( 0.7866941 -0.2323014 -0.1517289), wk = 0.0035842 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 2) = ( 0.0125000 0.0000000 -0.0000000), wk = 0.0035842 k( 3) = ( 0.0250000 0.0000000 -0.0000000), wk = 0.0035842 k( 4) = ( 0.0375000 0.0000000 -0.0000000), wk = 0.0035842 k( 5) = ( 0.0500000 0.0000000 -0.0000000), wk = 0.0035842 k( 6) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0035842 k( 7) = ( 0.0750000 0.0000000 -0.0000000), wk = 0.0035842 k( 8) = ( 0.0875000 0.0000000 -0.0000000), wk = 0.0035842 k( 9) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0035842 k( 10) = ( 0.1125000 0.0000000 -0.0000000), wk = 0.0035842 k( 11) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0035842 k( 12) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0035842 k( 13) = ( 0.1500000 0.0000000 -0.0000000), wk = 0.0035842 k( 14) = ( 0.1625000 0.0000000 -0.0000000), wk = 0.0035842 k( 15) = ( 0.1750000 0.0000000 -0.0000000), wk = 0.0035842 k( 16) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0035842 k( 17) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0035842 k( 18) = ( 0.2125000 0.0000000 -0.0000000), wk = 0.0035842 k( 19) = ( 0.2250000 0.0000000 -0.0000000), wk = 0.0035842 k( 20) = ( 0.2375000 0.0000000 0.0000000), wk = 0.0035842 k( 21) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0035842 k( 22) = ( 0.2625000 0.0000000 -0.0000000), wk = 0.0035842 k( 23) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0035842 k( 24) = ( 0.2875000 0.0000000 -0.0000000), wk = 0.0035842 k( 25) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0035842 k( 26) = ( 0.3125000 0.0000000 -0.0000000), wk = 0.0035842 k( 27) = ( 0.3250000 0.0000000 -0.0000000), wk = 0.0035842 k( 28) = ( 0.3375000 0.0000000 -0.0000000), wk = 0.0035842 k( 29) = ( 0.3500000 0.0000000 -0.0000000), wk = 0.0035842 k( 30) = ( 0.3625000 0.0000000 -0.0000000), wk = 0.0035842 k( 31) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0035842 k( 32) = ( 0.3875000 0.0000000 -0.0000000), wk = 0.0035842 k( 33) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0035842 k( 34) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0035842 k( 35) = ( 0.4250000 0.0000000 -0.0000000), wk = 0.0035842 k( 36) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0035842 k( 37) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0035842 k( 38) = ( 0.4625000 0.0000000 -0.0000000), wk = 0.0035842 k( 39) = ( 0.4750000 0.0000000 0.0000000), wk = 0.0035842 k( 40) = ( 0.4875000 0.0000000 -0.0000000), wk = 0.0035842 k( 41) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035842 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035842 k( 43) = ( 0.5000000 0.0073554 -0.0073554), wk = 0.0035842 k( 44) = ( 0.5000000 0.0147108 -0.0147108), wk = 0.0035842 k( 45) = ( 0.5000000 0.0220661 -0.0220661), wk = 0.0035842 k( 46) = ( 0.5000000 0.0294215 -0.0294215), wk = 0.0035842 k( 47) = ( 0.5000000 0.0367769 -0.0367769), wk = 0.0035842 k( 48) = ( 0.5000000 0.0441323 -0.0441323), wk = 0.0035842 k( 49) = ( 0.5000000 0.0514876 -0.0514876), wk = 0.0035842 k( 50) = ( 0.5000000 0.0588430 -0.0588430), wk = 0.0035842 k( 51) = ( 0.5000000 0.0661984 -0.0661984), wk = 0.0035842 k( 52) = ( 0.5000000 0.0735538 -0.0735538), wk = 0.0035842 k( 53) = ( 0.5000000 0.0809091 -0.0809091), wk = 0.0035842 k( 54) = ( 0.5000000 0.0882645 -0.0882645), wk = 0.0035842 k( 55) = ( 0.5000000 0.0956199 -0.0956199), wk = 0.0035842 k( 56) = ( 0.5000000 0.1029753 -0.1029753), wk = 0.0035842 k( 57) = ( 0.5000000 0.1103306 -0.1103306), wk = 0.0035842 k( 58) = ( 0.5000000 0.1176860 -0.1176860), wk = 0.0035842 k( 59) = ( 0.5000000 0.1250414 -0.1250414), wk = 0.0035842 k( 60) = ( 0.5000000 0.1323968 -0.1323968), wk = 0.0035842 k( 61) = ( 0.5000000 0.1397522 -0.1397521), wk = 0.0035842 k( 62) = ( 0.5000000 0.1471075 -0.1471075), wk = 0.0035842 k( 63) = ( 0.5000000 0.1544629 -0.1544629), wk = 0.0035842 k( 64) = ( 0.5000000 0.1618183 -0.1618183), wk = 0.0035842 k( 65) = ( 0.5000000 0.1691737 -0.1691737), wk = 0.0035842 k( 66) = ( 0.5000000 0.1765290 -0.1765290), wk = 0.0035842 k( 67) = ( 0.5000000 0.1838844 -0.1838844), wk = 0.0035842 k( 68) = ( 0.5000000 0.1912398 -0.1912398), wk = 0.0035842 k( 69) = ( 0.5000000 0.1985951 -0.1985951), wk = 0.0035842 k( 70) = ( 0.5000000 0.2059505 -0.2059505), wk = 0.0035842 k( 71) = ( 0.5000000 0.2133059 -0.2133059), wk = 0.0035842 k( 72) = ( 0.7866941 0.5000000 0.2133059), wk = 0.0035842 k( 73) = ( 0.7791495 0.5000000 0.2208505), wk = 0.0035842 k( 74) = ( 0.7716049 0.5000000 0.2283951), wk = 0.0035842 k( 75) = ( 0.7640604 0.5000000 0.2359396), wk = 0.0035842 k( 76) = ( 0.7565158 0.5000000 0.2434842), wk = 0.0035842 k( 77) = ( 0.7489712 0.5000000 0.2510288), wk = 0.0035842 k( 78) = ( 0.7414266 0.5000000 0.2585734), wk = 0.0035842 k( 79) = ( 0.7338820 0.5000000 0.2661180), wk = 0.0035842 k( 80) = ( 0.7263374 0.5000000 0.2736626), wk = 0.0035842 k( 81) = ( 0.7187929 0.5000000 0.2812071), wk = 0.0035842 k( 82) = ( 0.7112483 0.5000000 0.2887517), wk = 0.0035842 k( 83) = ( 0.7037037 0.5000000 0.2962963), wk = 0.0035842 k( 84) = ( 0.6961591 0.5000000 0.3038409), wk = 0.0035842 k( 85) = ( 0.6886145 0.5000000 0.3113855), wk = 0.0035842 k( 86) = ( 0.6810700 0.5000000 0.3189300), wk = 0.0035842 k( 87) = ( 0.6735254 0.5000000 0.3264746), wk = 0.0035842 k( 88) = ( 0.6659808 0.5000000 0.3340192), wk = 0.0035842 k( 89) = ( 0.6584362 0.5000000 0.3415638), wk = 0.0035842 k( 90) = ( 0.6508916 0.5000000 0.3491084), wk = 0.0035842 k( 91) = ( 0.6433471 0.5000000 0.3566529), wk = 0.0035842 k( 92) = ( 0.6358025 0.5000000 0.3641975), wk = 0.0035842 k( 93) = ( 0.6282579 0.5000000 0.3717421), wk = 0.0035842 k( 94) = ( 0.6207133 0.5000000 0.3792867), wk = 0.0035842 k( 95) = ( 0.6131687 0.5000000 0.3868313), wk = 0.0035842 k( 96) = ( 0.6056241 0.5000000 0.3943759), wk = 0.0035842 k( 97) = ( 0.5980796 0.5000000 0.4019204), wk = 0.0035842 k( 98) = ( 0.5905350 0.5000000 0.4094650), wk = 0.0035842 k( 99) = ( 0.5829904 0.5000000 0.4170096), wk = 0.0035842 k( 100) = ( 0.5754458 0.5000000 0.4245542), wk = 0.0035842 k( 101) = ( 0.5679012 0.5000000 0.4320988), wk = 0.0035842 k( 102) = ( 0.5603567 0.5000000 0.4396433), wk = 0.0035842 k( 103) = ( 0.5528121 0.5000000 0.4471879), wk = 0.0035842 k( 104) = ( 0.5452675 0.5000000 0.4547325), wk = 0.0035842 k( 105) = ( 0.5377229 0.5000000 0.4622771), wk = 0.0035842 k( 106) = ( 0.5301783 0.5000000 0.4698217), wk = 0.0035842 k( 107) = ( 0.5226337 0.5000000 0.4773663), wk = 0.0035842 k( 108) = ( 0.5150892 0.5000000 0.4849108), wk = 0.0035842 k( 109) = ( 0.5075446 0.5000000 0.4924554), wk = 0.0035842 k( 110) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035842 k( 111) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035842 k( 112) = ( 0.4838710 0.4838710 0.4838710), wk = 0.0035842 k( 113) = ( 0.4677419 0.4677419 0.4677419), wk = 0.0035842 k( 114) = ( 0.4516129 0.4516129 0.4516129), wk = 0.0035842 k( 115) = ( 0.4354839 0.4354839 0.4354839), wk = 0.0035842 k( 116) = ( 0.4193548 0.4193548 0.4193548), wk = 0.0035842 k( 117) = ( 0.4032258 0.4032258 0.4032258), wk = 0.0035842 k( 118) = ( 0.3870968 0.3870968 0.3870968), wk = 0.0035842 k( 119) = ( 0.3709677 0.3709677 0.3709677), wk = 0.0035842 k( 120) = ( 0.3548387 0.3548387 0.3548387), wk = 0.0035842 k( 121) = ( 0.3387097 0.3387097 0.3387097), wk = 0.0035842 k( 122) = ( 0.3225807 0.3225807 0.3225807), wk = 0.0035842 k( 123) = ( 0.3064516 0.3064516 0.3064516), wk = 0.0035842 k( 124) = ( 0.2903226 0.2903226 0.2903226), wk = 0.0035842 k( 125) = ( 0.2741936 0.2741936 0.2741935), wk = 0.0035842 k( 126) = ( 0.2580645 0.2580645 0.2580645), wk = 0.0035842 k( 127) = ( 0.2419355 0.2419355 0.2419355), wk = 0.0035842 k( 128) = ( 0.2258064 0.2258064 0.2258064), wk = 0.0035842 k( 129) = ( 0.2096774 0.2096774 0.2096774), wk = 0.0035842 k( 130) = ( 0.1935484 0.1935484 0.1935484), wk = 0.0035842 k( 131) = ( 0.1774194 0.1774194 0.1774193), wk = 0.0035842 k( 132) = ( 0.1612903 0.1612903 0.1612903), wk = 0.0035842 k( 133) = ( 0.1451613 0.1451613 0.1451613), wk = 0.0035842 k( 134) = ( 0.1290323 0.1290323 0.1290323), wk = 0.0035842 k( 135) = ( 0.1129032 0.1129032 0.1129032), wk = 0.0035842 k( 136) = ( 0.0967742 0.0967742 0.0967742), wk = 0.0035842 k( 137) = ( 0.0806452 0.0806452 0.0806452), wk = 0.0035842 k( 138) = ( 0.0645161 0.0645161 0.0645161), wk = 0.0035842 k( 139) = ( 0.0483871 0.0483871 0.0483871), wk = 0.0035842 k( 140) = ( 0.0322581 0.0322581 0.0322581), wk = 0.0035842 k( 141) = ( 0.0161290 0.0161290 0.0161290), wk = 0.0035842 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 144) = ( 0.0075884 0.0000000 -0.0075884), wk = 0.0035842 k( 145) = ( 0.0151767 0.0000000 -0.0151767), wk = 0.0035842 k( 146) = ( 0.0227651 0.0000000 -0.0227651), wk = 0.0035842 k( 147) = ( 0.0303534 0.0000000 -0.0303534), wk = 0.0035842 k( 148) = ( 0.0379418 0.0000000 -0.0379418), wk = 0.0035842 k( 149) = ( 0.0455302 0.0000000 -0.0455302), wk = 0.0035842 k( 150) = ( 0.0531185 0.0000000 -0.0531185), wk = 0.0035842 k( 151) = ( 0.0607069 -0.0000000 -0.0607069), wk = 0.0035842 k( 152) = ( 0.0682953 0.0000000 -0.0682952), wk = 0.0035842 k( 153) = ( 0.0758836 0.0000000 -0.0758836), wk = 0.0035842 k( 154) = ( 0.0834720 0.0000000 -0.0834720), wk = 0.0035842 k( 155) = ( 0.0910603 -0.0000000 -0.0910603), wk = 0.0035842 k( 156) = ( 0.0986487 0.0000000 -0.0986487), wk = 0.0035842 k( 157) = ( 0.1062370 0.0000000 -0.1062370), wk = 0.0035842 k( 158) = ( 0.1138254 0.0000000 -0.1138254), wk = 0.0035842 k( 159) = ( 0.1214138 0.0000000 -0.1214138), wk = 0.0035842 k( 160) = ( 0.1290021 0.0000000 -0.1290021), wk = 0.0035842 k( 161) = ( 0.1365905 0.0000000 -0.1365905), wk = 0.0035842 k( 162) = ( 0.1441788 0.0000000 -0.1441788), wk = 0.0035842 k( 163) = ( 0.1517672 0.0000000 -0.1517672), wk = 0.0035842 k( 164) = ( 0.1593556 -0.0000000 -0.1593556), wk = 0.0035842 k( 165) = ( 0.1669439 0.0000000 -0.1669439), wk = 0.0035842 k( 166) = ( 0.1745323 0.0000000 -0.1745323), wk = 0.0035842 k( 167) = ( 0.1821207 -0.0000000 -0.1821207), wk = 0.0035842 k( 168) = ( 0.1897090 0.0000000 -0.1897090), wk = 0.0035842 k( 169) = ( 0.1972974 0.0000000 -0.1972974), wk = 0.0035842 k( 170) = ( 0.2048857 0.0000000 -0.2048857), wk = 0.0035842 k( 171) = ( 0.2124741 0.0000000 -0.2124741), wk = 0.0035842 k( 172) = ( 0.2200625 0.0000000 -0.2200625), wk = 0.0035842 k( 173) = ( 0.2276508 0.0000000 -0.2276508), wk = 0.0035842 k( 174) = ( 0.2352392 0.0000000 -0.2352392), wk = 0.0035842 k( 175) = ( 0.2428275 0.0000000 -0.2428275), wk = 0.0035842 k( 176) = ( 0.2504159 0.0000000 -0.2504159), wk = 0.0035842 k( 177) = ( 0.2580043 0.0000000 -0.2580043), wk = 0.0035842 k( 178) = ( 0.2655926 0.0000000 -0.2655926), wk = 0.0035842 k( 179) = ( 0.2731810 0.0000000 -0.2731810), wk = 0.0035842 k( 180) = ( 0.2807693 0.0000000 -0.2807693), wk = 0.0035842 k( 181) = ( 0.2883577 0.0000000 -0.2883577), wk = 0.0035842 k( 182) = ( 0.2959461 0.0000000 -0.2959461), wk = 0.0035842 k( 183) = ( 0.3035344 0.0000000 -0.3035344), wk = 0.0035842 k( 184) = ( 0.3111228 0.0000000 -0.3111228), wk = 0.0035842 k( 185) = ( 0.3187111 0.0000000 -0.3187111), wk = 0.0035842 k( 186) = ( 0.3262995 -0.0000000 -0.3262995), wk = 0.0035842 k( 187) = ( 0.3338879 0.0000000 -0.3338879), wk = 0.0035842 k( 188) = ( 0.3414762 0.0000000 -0.3414762), wk = 0.0035842 k( 189) = ( 0.3490646 0.0000000 -0.3490646), wk = 0.0035842 k( 190) = ( 0.3566530 0.0000000 -0.3566530), wk = 0.0035842 k( 191) = ( 0.6433471 0.3566530 0.0000000), wk = 0.0035842 k( 192) = ( 0.6358025 0.3641975 -0.0000000), wk = 0.0035842 k( 193) = ( 0.6282579 0.3717421 0.0000000), wk = 0.0035842 k( 194) = ( 0.6207133 0.3792867 -0.0000000), wk = 0.0035842 k( 195) = ( 0.6131687 0.3868313 0.0000000), wk = 0.0035842 k( 196) = ( 0.6056241 0.3943759 0.0000000), wk = 0.0035842 k( 197) = ( 0.5980796 0.4019204 -0.0000000), wk = 0.0035842 k( 198) = ( 0.5905350 0.4094650 0.0000000), wk = 0.0035842 k( 199) = ( 0.5829904 0.4170096 -0.0000000), wk = 0.0035842 k( 200) = ( 0.5754458 0.4245542 -0.0000000), wk = 0.0035842 k( 201) = ( 0.5679012 0.4320988 -0.0000000), wk = 0.0035842 k( 202) = ( 0.5603567 0.4396434 0.0000000), wk = 0.0035842 k( 203) = ( 0.5528121 0.4471879 0.0000000), wk = 0.0035842 k( 204) = ( 0.5452675 0.4547325 0.0000000), wk = 0.0035842 k( 205) = ( 0.5377229 0.4622771 -0.0000000), wk = 0.0035842 k( 206) = ( 0.5301783 0.4698217 -0.0000000), wk = 0.0035842 k( 207) = ( 0.5226337 0.4773663 0.0000000), wk = 0.0035842 k( 208) = ( 0.5150892 0.4849108 -0.0000000), wk = 0.0035842 k( 209) = ( 0.5075446 0.4924554 0.0000000), wk = 0.0035842 k( 210) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035842 k( 211) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035842 k( 212) = ( 0.5119456 0.5119456 0.0177755), wk = 0.0035842 k( 213) = ( 0.5238912 0.5238912 0.0355510), wk = 0.0035842 k( 214) = ( 0.5358368 0.5358368 0.0533265), wk = 0.0035842 k( 215) = ( 0.5477823 0.5477823 0.0711020), wk = 0.0035842 k( 216) = ( 0.5597279 0.5597279 0.0888775), wk = 0.0035842 k( 217) = ( 0.5716735 0.5716735 0.1066530), wk = 0.0035842 k( 218) = ( 0.5836191 0.5836191 0.1244284), wk = 0.0035842 k( 219) = ( 0.5955647 0.5955647 0.1422039), wk = 0.0035842 k( 220) = ( 0.6075103 0.6075103 0.1599794), wk = 0.0035842 k( 221) = ( 0.6194559 0.6194559 0.1777549), wk = 0.0035842 k( 222) = ( 0.6314015 0.6314015 0.1955304), wk = 0.0035842 k( 223) = ( 0.6433471 0.6433471 0.2133059), wk = 0.0035842 k( 224) = ( 0.6433471 0.6433471 0.2133059), wk = 0.0035842 k( 225) = ( 0.6390032 0.6390032 0.2219936), wk = 0.0035842 k( 226) = ( 0.6346593 0.6346593 0.2306813), wk = 0.0035842 k( 227) = ( 0.6303155 0.6303155 0.2393690), wk = 0.0035842 k( 228) = ( 0.6259716 0.6259716 0.2480567), wk = 0.0035842 k( 229) = ( 0.6216278 0.6216278 0.2567444), wk = 0.0035842 k( 230) = ( 0.6172840 0.6172840 0.2654321), wk = 0.0035842 k( 231) = ( 0.6129401 0.6129401 0.2741198), wk = 0.0035842 k( 232) = ( 0.6085962 0.6085962 0.2828075), wk = 0.0035842 k( 233) = ( 0.6042524 0.6042524 0.2914952), wk = 0.0035842 k( 234) = ( 0.5999085 0.5999085 0.3001829), wk = 0.0035842 k( 235) = ( 0.5955647 0.5955647 0.3088706), wk = 0.0035842 k( 236) = ( 0.5912209 0.5912209 0.3175583), wk = 0.0035842 k( 237) = ( 0.5868770 0.5868770 0.3262460), wk = 0.0035842 k( 238) = ( 0.5825332 0.5825332 0.3349337), wk = 0.0035842 k( 239) = ( 0.5781893 0.5781893 0.3436214), wk = 0.0035842 k( 240) = ( 0.5738454 0.5738455 0.3523091), wk = 0.0035842 k( 241) = ( 0.5695016 0.5695016 0.3609968), wk = 0.0035842 k( 242) = ( 0.5651578 0.5651578 0.3696845), wk = 0.0035842 k( 243) = ( 0.5608139 0.5608139 0.3783722), wk = 0.0035842 k( 244) = ( 0.5564701 0.5564701 0.3870599), wk = 0.0035842 k( 245) = ( 0.5521262 0.5521262 0.3957476), wk = 0.0035842 k( 246) = ( 0.5477823 0.5477823 0.4044353), wk = 0.0035842 k( 247) = ( 0.5434385 0.5434385 0.4131230), wk = 0.0035842 k( 248) = ( 0.5390947 0.5390947 0.4218107), wk = 0.0035842 k( 249) = ( 0.5347508 0.5347508 0.4304984), wk = 0.0035842 k( 250) = ( 0.5304070 0.5304070 0.4391861), wk = 0.0035842 k( 251) = ( 0.5260631 0.5260631 0.4478738), wk = 0.0035842 k( 252) = ( 0.5217192 0.5217192 0.4565615), wk = 0.0035842 k( 253) = ( 0.5173754 0.5173754 0.4652492), wk = 0.0035842 k( 254) = ( 0.5130316 0.5130316 0.4739369), wk = 0.0035842 k( 255) = ( 0.5086877 0.5086877 0.4826246), wk = 0.0035842 k( 256) = ( 0.5043439 0.5043439 0.4913123), wk = 0.0035842 k( 257) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035842 k( 258) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035842 k( 259) = ( 0.5136521 0.0169835 0.0169835), wk = 0.0035842 k( 260) = ( 0.5273042 0.0339670 0.0339669), wk = 0.0035842 k( 261) = ( 0.5409563 0.0509504 0.0509504), wk = 0.0035842 k( 262) = ( 0.5546084 0.0679339 0.0679339), wk = 0.0035842 k( 263) = ( 0.5682605 0.0849174 0.0849174), wk = 0.0035842 k( 264) = ( 0.5819126 0.1019008 0.1019008), wk = 0.0035842 k( 265) = ( 0.5955647 0.1188843 0.1188843), wk = 0.0035842 k( 266) = ( 0.6092168 0.1358678 0.1358678), wk = 0.0035842 k( 267) = ( 0.6228689 0.1528513 0.1528513), wk = 0.0035842 k( 268) = ( 0.6365210 0.1698347 0.1698347), wk = 0.0035842 k( 269) = ( 0.6501731 0.1868182 0.1868182), wk = 0.0035842 k( 270) = ( 0.6638252 0.2038017 0.2038017), wk = 0.0035842 k( 271) = ( 0.6774773 0.2207852 0.2207852), wk = 0.0035842 k( 272) = ( 0.6911294 0.2377686 0.2377686), wk = 0.0035842 k( 273) = ( 0.7047815 0.2547521 0.2547521), wk = 0.0035842 k( 274) = ( 0.7184336 0.2717356 0.2717356), wk = 0.0035842 k( 275) = ( 0.7320857 0.2887191 0.2887191), wk = 0.0035842 k( 276) = ( 0.7457378 0.3057025 0.3057025), wk = 0.0035842 k( 277) = ( 0.7593899 0.3226860 0.3226860), wk = 0.0035842 k( 278) = ( 0.7730420 0.3396695 0.3396695), wk = 0.0035842 k( 279) = ( 0.7866941 0.3566530 0.3566529), wk = 0.0035842 Dense grid: 189559 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 42547 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.38 Mb ( 310, 80) NL pseudopotentials 0.38 Mb ( 155, 160) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.04 Mb ( 5267) G-vector shells 0.03 Mb ( 4265) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.51 Mb ( 310, 320) Each subspace H/S matrix 0.10 Mb ( 80, 80) Each matrix 0.39 Mb ( 160, 2, 80) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./MgCdxCO3x2.save/charge-density.dat Starting wfc are 92 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.7 secs Computing kpt #: 2 total cpu time spent up to now is 8.0 secs Computing kpt #: 3 total cpu time spent up to now is 10.2 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 13.3 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 16.4 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 19.4 secs Computing kpt #: 7 total cpu time spent up to now is 21.3 secs Computing kpt #: 8 total cpu time spent up to now is 22.6 secs Computing kpt #: 9 total cpu time spent up to now is 23.8 secs Computing kpt #: 10 total cpu time spent up to now is 25.1 secs Computing kpt #: 11 total cpu time spent up to now is 26.4 secs Computing kpt #: 12 total cpu time spent up to now is 27.7 secs Computing kpt #: 13 total cpu time spent up to now is 29.0 secs Computing kpt #: 14 total cpu time spent up to now is 30.2 secs Computing kpt #: 15 total cpu time spent up to now is 31.5 secs Computing kpt #: 16 total cpu time spent up to now is 32.8 secs Computing kpt #: 17 total cpu time spent up to now is 34.0 secs Computing kpt #: 18 total cpu time spent up to now is 35.3 secs Computing kpt #: 19 total cpu time spent up to now is 36.6 secs Computing kpt #: 20 total cpu time spent up to now is 37.8 secs Computing kpt #: 21 total cpu time spent up to now is 39.1 secs Computing kpt #: 22 total cpu time spent up to now is 40.3 secs Computing kpt #: 23 total cpu time spent up to now is 41.6 secs Computing kpt #: 24 total cpu time spent up to now is 42.9 secs Computing kpt #: 25 total cpu time spent up to now is 44.1 secs Computing kpt #: 26 total cpu time spent up to now is 45.4 secs Computing kpt #: 27 total cpu time spent up to now is 46.6 secs Computing kpt #: 28 total cpu time spent up to now is 48.0 secs Computing kpt #: 29 total cpu time spent up to now is 49.3 secs Computing kpt #: 30 total cpu time spent up to now is 50.5 secs Computing kpt #: 31 total cpu time spent up to now is 51.8 secs Computing kpt #: 32 total cpu time spent up to now is 53.0 secs Computing kpt #: 33 total cpu time spent up to now is 54.3 secs Computing kpt #: 34 total cpu time spent up to now is 55.5 secs Computing kpt #: 35 total cpu time spent up to now is 56.9 secs Computing kpt #: 36 total cpu time spent up to now is 58.0 secs Computing kpt #: 37 total cpu time spent up to now is 59.4 secs Computing kpt #: 38 total cpu time spent up to now is 60.7 secs Computing kpt #: 39 total cpu time spent up to now is 62.1 secs Computing kpt #: 40 total cpu time spent up to now is 63.4 secs Computing kpt #: 41 total cpu time spent up to now is 64.5 secs Computing kpt #: 42 total cpu time spent up to now is 65.5 secs Computing kpt #: 43 total cpu time spent up to now is 66.9 secs Computing kpt #: 44 total cpu time spent up to now is 68.0 secs Computing kpt #: 45 total cpu time spent up to now is 69.4 secs Computing kpt #: 46 total cpu time spent up to now is 70.7 secs Computing kpt #: 47 total cpu time spent up to now is 72.1 secs Computing kpt #: 48 total cpu time spent up to now is 73.4 secs Computing kpt #: 49 total cpu time spent up to now is 75.1 secs Computing kpt #: 50 total cpu time spent up to now is 76.7 secs Computing kpt #: 51 total cpu time spent up to now is 78.4 secs Computing kpt #: 52 total cpu time spent up to now is 79.8 secs Computing kpt #: 53 total cpu time spent up to now is 81.2 secs Computing kpt #: 54 total cpu time spent up to now is 82.7 secs Computing kpt #: 55 total cpu time spent up to now is 84.6 secs Computing kpt #: 56 total cpu time spent up to now is 86.0 secs Computing kpt #: 57 total cpu time spent up to now is 87.8 secs Computing kpt #: 58 total cpu time spent up to now is 89.7 secs Computing kpt #: 59 total cpu time spent up to now is 91.2 secs Computing kpt #: 60 total cpu time spent up to now is 93.0 secs Computing kpt #: 61 total cpu time spent up to now is 94.5 secs Computing kpt #: 62 total cpu time spent up to now is 95.8 secs Computing kpt #: 63 total cpu time spent up to now is 97.3 secs Computing kpt #: 64 total cpu time spent up to now is 98.7 secs Computing kpt #: 65 total cpu time spent up to now is 100.0 secs Computing kpt #: 66 total cpu time spent up to now is 101.3 secs Computing kpt #: 67 total cpu time spent up to now is 102.6 secs Computing kpt #: 68 total cpu time spent up to now is 103.9 secs Computing kpt #: 69 total cpu time spent up to now is 105.3 secs Computing kpt #: 70 total cpu time spent up to now is 106.8 secs Computing kpt #: 71 total cpu time spent up to now is 108.0 secs Computing kpt #: 72 total cpu time spent up to now is 109.3 secs Computing kpt #: 73 total cpu time spent up to now is 110.5 secs Computing kpt #: 74 total cpu time spent up to now is 111.8 secs Computing kpt #: 75 total cpu time spent up to now is 113.3 secs Computing kpt #: 76 total cpu time spent up to now is 114.5 secs Computing kpt #: 77 total cpu time spent up to now is 115.9 secs Computing kpt #: 78 total cpu time spent up to now is 117.3 secs Computing kpt #: 79 total cpu time spent up to now is 118.7 secs Computing kpt #: 80 total cpu time spent up to now is 120.1 secs Computing kpt #: 81 total cpu time spent up to now is 121.4 secs Computing kpt #: 82 total cpu time spent up to now is 122.8 secs Computing kpt #: 83 total cpu time spent up to now is 124.2 secs Computing kpt #: 84 total cpu time spent up to now is 125.4 secs Computing kpt #: 85 total cpu time spent up to now is 126.7 secs Computing kpt #: 86 total cpu time spent up to now is 127.9 secs Computing kpt #: 87 total cpu time spent up to now is 129.2 secs Computing kpt #: 88 total cpu time spent up to now is 130.3 secs Computing kpt #: 89 total cpu time spent up to now is 131.7 secs Computing kpt #: 90 total cpu time spent up to now is 133.1 secs Computing kpt #: 91 total cpu time spent up to now is 134.4 secs Computing kpt #: 92 total cpu time spent up to now is 135.8 secs Computing kpt #: 93 total cpu time spent up to now is 137.2 secs Computing kpt #: 94 total cpu time spent up to now is 138.6 secs Computing kpt #: 95 total cpu time spent up to now is 139.6 secs Computing kpt #: 96 total cpu time spent up to now is 141.5 secs Computing kpt #: 97 total cpu time spent up to now is 143.1 secs Computing kpt #: 98 total cpu time spent up to now is 144.9 secs Computing kpt #: 99 total cpu time spent up to now is 146.7 secs Computing kpt #: 100 total cpu time spent up to now is 148.7 secs Computing kpt #: 101 total cpu time spent up to now is 150.1 secs Computing kpt #: 102 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 153.3 secs Computing kpt #: 103 total cpu time spent up to now is 155.9 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 159.1 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 162.2 secs Computing kpt #: 106 total cpu time spent up to now is 163.6 secs Computing kpt #: 107 total cpu time spent up to now is 165.5 secs Computing kpt #: 108 total cpu time spent up to now is 167.7 secs Computing kpt #: 109 total cpu time spent up to now is 168.8 secs Computing kpt #: 110 total cpu time spent up to now is 170.0 secs Computing kpt #: 111 total cpu time spent up to now is 171.2 secs Computing kpt #: 112 total cpu time spent up to now is 172.4 secs Computing kpt #: 113 total cpu time spent up to now is 174.3 secs Computing kpt #: 114 total cpu time spent up to now is 176.2 secs Computing kpt #: 115 total cpu time spent up to now is 178.3 secs Computing kpt #: 116 total cpu time spent up to now is 180.4 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 183.7 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 186.8 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 190.1 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 193.3 secs Computing kpt #: 121 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 196.4 secs Computing kpt #: 122 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 199.7 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 202.9 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 206.1 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 209.2 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 212.3 secs Computing kpt #: 127 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 215.4 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 218.7 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 221.8 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 225.1 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 228.4 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 231.7 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 234.9 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 238.1 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 241.3 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 244.4 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 247.6 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 250.9 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 253.9 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 257.2 secs Computing kpt #: 141 total cpu time spent up to now is 259.0 secs Computing kpt #: 142 total cpu time spent up to now is 261.2 secs Computing kpt #: 143 total cpu time spent up to now is 262.3 secs Computing kpt #: 144 total cpu time spent up to now is 263.4 secs Computing kpt #: 145 total cpu time spent up to now is 265.5 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 268.7 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 271.9 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 275.0 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 278.1 secs Computing kpt #: 150 total cpu time spent up to now is 280.7 secs Computing kpt #: 151 total cpu time spent up to now is 283.3 secs Computing kpt #: 152 total cpu time spent up to now is 284.7 secs Computing kpt #: 153 total cpu time spent up to now is 286.4 secs Computing kpt #: 154 total cpu time spent up to now is 288.6 secs Computing kpt #: 155 total cpu time spent up to now is 289.8 secs Computing kpt #: 156 total cpu time spent up to now is 291.6 secs Computing kpt #: 157 total cpu time spent up to now is 293.4 secs Computing kpt #: 158 total cpu time spent up to now is 294.4 secs Computing kpt #: 159 total cpu time spent up to now is 296.2 secs Computing kpt #: 160 total cpu time spent up to now is 297.5 secs Computing kpt #: 161 total cpu time spent up to now is 299.2 secs Computing kpt #: 162 total cpu time spent up to now is 300.6 secs Computing kpt #: 163 total cpu time spent up to now is 302.0 secs Computing kpt #: 164 total cpu time spent up to now is 303.3 secs Computing kpt #: 165 total cpu time spent up to now is 304.7 secs Computing kpt #: 166 total cpu time spent up to now is 306.1 secs Computing kpt #: 167 total cpu time spent up to now is 307.5 secs Computing kpt #: 168 total cpu time spent up to now is 308.8 secs Computing kpt #: 169 total cpu time spent up to now is 310.2 secs Computing kpt #: 170 total cpu time spent up to now is 311.3 secs Computing kpt #: 171 total cpu time spent up to now is 312.7 secs Computing kpt #: 172 total cpu time spent up to now is 313.8 secs Computing kpt #: 173 total cpu time spent up to now is 315.5 secs Computing kpt #: 174 total cpu time spent up to now is 316.9 secs Computing kpt #: 175 total cpu time spent up to now is 318.3 secs Computing kpt #: 176 total cpu time spent up to now is 319.8 secs Computing kpt #: 177 total cpu time spent up to now is 321.4 secs Computing kpt #: 178 total cpu time spent up to now is 322.7 secs Computing kpt #: 179 total cpu time spent up to now is 323.9 secs Computing kpt #: 180 total cpu time spent up to now is 325.4 secs Computing kpt #: 181 total cpu time spent up to now is 326.8 secs Computing kpt #: 182 total cpu time spent up to now is 328.1 secs Computing kpt #: 183 total cpu time spent up to now is 329.4 secs Computing kpt #: 184 total cpu time spent up to now is 330.7 secs Computing kpt #: 185 total cpu time spent up to now is 332.0 secs Computing kpt #: 186 total cpu time spent up to now is 333.4 secs Computing kpt #: 187 total cpu time spent up to now is 334.7 secs Computing kpt #: 188 total cpu time spent up to now is 336.0 secs Computing kpt #: 189 total cpu time spent up to now is 337.3 secs Computing kpt #: 190 total cpu time spent up to now is 338.8 secs Computing kpt #: 191 total cpu time spent up to now is 340.1 secs Computing kpt #: 192 total cpu time spent up to now is 342.0 secs Computing kpt #: 193 total cpu time spent up to now is 343.9 secs Computing kpt #: 194 total cpu time spent up to now is 345.7 secs Computing kpt #: 195 total cpu time spent up to now is 347.5 secs Computing kpt #: 196 total cpu time spent up to now is 349.4 secs Computing kpt #: 197 total cpu time spent up to now is 351.1 secs Computing kpt #: 198 total cpu time spent up to now is 352.9 secs Computing kpt #: 199 total cpu time spent up to now is 354.6 secs Computing kpt #: 200 total cpu time spent up to now is 356.4 secs Computing kpt #: 201 total cpu time spent up to now is 357.9 secs Computing kpt #: 202 total cpu time spent up to now is 359.4 secs Computing kpt #: 203 total cpu time spent up to now is 360.8 secs Computing kpt #: 204 total cpu time spent up to now is 362.2 secs Computing kpt #: 205 total cpu time spent up to now is 363.6 secs Computing kpt #: 206 total cpu time spent up to now is 365.0 secs Computing kpt #: 207 total cpu time spent up to now is 366.3 secs Computing kpt #: 208 total cpu time spent up to now is 367.7 secs Computing kpt #: 209 total cpu time spent up to now is 368.7 secs Computing kpt #: 210 total cpu time spent up to now is 369.8 secs Computing kpt #: 211 total cpu time spent up to now is 370.8 secs Computing kpt #: 212 total cpu time spent up to now is 372.2 secs Computing kpt #: 213 total cpu time spent up to now is 373.5 secs Computing kpt #: 214 total cpu time spent up to now is 374.9 secs Computing kpt #: 215 total cpu time spent up to now is 376.2 secs Computing kpt #: 216 total cpu time spent up to now is 377.6 secs Computing kpt #: 217 total cpu time spent up to now is 379.0 secs Computing kpt #: 218 total cpu time spent up to now is 380.4 secs Computing kpt #: 219 total cpu time spent up to now is 381.6 secs Computing kpt #: 220 total cpu time spent up to now is 382.9 secs Computing kpt #: 221 total cpu time spent up to now is 384.2 secs Computing kpt #: 222 total cpu time spent up to now is 385.6 secs Computing kpt #: 223 total cpu time spent up to now is 386.8 secs Computing kpt #: 224 total cpu time spent up to now is 388.0 secs Computing kpt #: 225 total cpu time spent up to now is 389.2 secs Computing kpt #: 226 total cpu time spent up to now is 390.4 secs Computing kpt #: 227 total cpu time spent up to now is 391.7 secs Computing kpt #: 228 total cpu time spent up to now is 392.9 secs Computing kpt #: 229 total cpu time spent up to now is 394.1 secs Computing kpt #: 230 total cpu time spent up to now is 395.3 secs Computing kpt #: 231 total cpu time spent up to now is 396.6 secs Computing kpt #: 232 total cpu time spent up to now is 397.8 secs Computing kpt #: 233 total cpu time spent up to now is 399.0 secs Computing kpt #: 234 total cpu time spent up to now is 400.2 secs Computing kpt #: 235 total cpu time spent up to now is 401.5 secs Computing kpt #: 236 total cpu time spent up to now is 402.7 secs Computing kpt #: 237 total cpu time spent up to now is 404.0 secs Computing kpt #: 238 total cpu time spent up to now is 405.2 secs Computing kpt #: 239 total cpu time spent up to now is 406.4 secs Computing kpt #: 240 total cpu time spent up to now is 407.8 secs Computing kpt #: 241 total cpu time spent up to now is 409.2 secs Computing kpt #: 242 total cpu time spent up to now is 410.6 secs Computing kpt #: 243 total cpu time spent up to now is 412.1 secs Computing kpt #: 244 total cpu time spent up to now is 413.5 secs Computing kpt #: 245 total cpu time spent up to now is 414.9 secs Computing kpt #: 246 total cpu time spent up to now is 416.4 secs Computing kpt #: 247 total cpu time spent up to now is 418.3 secs Computing kpt #: 248 total cpu time spent up to now is 420.2 secs Computing kpt #: 249 total cpu time spent up to now is 422.8 secs Computing kpt #: 250 total cpu time spent up to now is 424.3 secs Computing kpt #: 251 total cpu time spent up to now is 427.3 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 430.4 secs Computing kpt #: 253 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 433.5 secs Computing kpt #: 254 total cpu time spent up to now is 435.5 secs Computing kpt #: 255 total cpu time spent up to now is 438.0 secs Computing kpt #: 256 total cpu time spent up to now is 439.2 secs Computing kpt #: 257 total cpu time spent up to now is 440.3 secs Computing kpt #: 258 total cpu time spent up to now is 441.3 secs Computing kpt #: 259 total cpu time spent up to now is 442.4 secs Computing kpt #: 260 total cpu time spent up to now is 443.7 secs Computing kpt #: 261 total cpu time spent up to now is 445.0 secs Computing kpt #: 262 total cpu time spent up to now is 446.4 secs Computing kpt #: 263 total cpu time spent up to now is 447.5 secs Computing kpt #: 264 total cpu time spent up to now is 448.8 secs Computing kpt #: 265 total cpu time spent up to now is 450.1 secs Computing kpt #: 266 total cpu time spent up to now is 451.3 secs Computing kpt #: 267 total cpu time spent up to now is 452.6 secs Computing kpt #: 268 total cpu time spent up to now is 453.9 secs Computing kpt #: 269 total cpu time spent up to now is 455.1 secs Computing kpt #: 270 total cpu time spent up to now is 456.4 secs Computing kpt #: 271 total cpu time spent up to now is 457.6 secs Computing kpt #: 272 total cpu time spent up to now is 458.9 secs Computing kpt #: 273 total cpu time spent up to now is 460.1 secs Computing kpt #: 274 total cpu time spent up to now is 461.4 secs Computing kpt #: 275 total cpu time spent up to now is 462.6 secs Computing kpt #: 276 total cpu time spent up to now is 463.8 secs Computing kpt #: 277 total cpu time spent up to now is 465.1 secs Computing kpt #: 278 total cpu time spent up to now is 466.3 secs Computing kpt #: 279 total cpu time spent up to now is 467.7 secs ethr = 1.52E-08, avg # of iterations = 39.9 total cpu time spent up to now is 467.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5335 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3543 -34.3543 -13.7124 -13.7124 -12.1698 -12.1698 -12.1508 -12.1508 -11.3185 -11.3185 -10.7881 -10.7881 -10.7081 -10.7081 -4.7203 -4.7203 -4.6892 -4.6892 -4.2454 -4.2454 -2.8310 -2.8310 -2.7592 -2.7592 -2.0906 -2.0906 -2.0320 -2.0320 -0.7803 -0.7803 1.1079 1.1079 1.4927 1.4927 1.5518 1.5518 2.5882 2.5882 2.7237 2.7237 2.7626 2.7626 4.5514 4.5514 4.8802 4.8802 4.9012 4.9012 5.6247 5.6247 6.1866 6.1866 6.2333 6.2333 6.4556 6.4556 6.4751 6.4751 7.1694 7.1694 7.5340 7.5340 7.7288 7.7288 8.5330 8.5330 8.5382 8.5382 8.7949 8.7949 8.8081 8.8081 9.5319 9.5320 k = 0.0125-0.0113-0.0074 ( 5325 PWs) bands (ev): -67.7230 -67.7230 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.7117 -13.7117 -12.1708 -12.1708 -12.1516 -12.1516 -11.3160 -11.3160 -10.7889 -10.7889 -10.7089 -10.7089 -4.7204 -4.7204 -4.6892 -4.6892 -4.2453 -4.2453 -2.8327 -2.8327 -2.7609 -2.7609 -2.0912 -2.0912 -2.0314 -2.0314 -0.7794 -0.7794 1.1110 1.1110 1.4940 1.4940 1.5531 1.5531 2.5900 2.5900 2.7248 2.7248 2.7637 2.7637 4.5513 4.5513 4.8798 4.8798 4.9007 4.9007 5.6242 5.6242 6.1844 6.1844 6.2309 6.2309 6.4564 6.4564 6.4761 6.4761 7.1683 7.1683 7.5332 7.5332 7.7287 7.7287 8.5327 8.5327 8.5378 8.5378 8.7937 8.7937 8.8071 8.8071 9.5307 9.5307 k = 0.0250-0.0227-0.0148 ( 5311 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.7093 -13.7093 -12.1741 -12.1741 -12.1536 -12.1536 -11.3088 -11.3088 -10.7913 -10.7913 -10.7114 -10.7114 -4.7208 -4.7208 -4.6891 -4.6891 -4.2450 -4.2450 -2.8379 -2.8379 -2.7654 -2.7654 -2.0928 -2.0928 -2.0298 -2.0298 -0.7766 -0.7766 1.1203 1.1203 1.4979 1.4979 1.5569 1.5569 2.5953 2.5953 2.7278 2.7278 2.7675 2.7675 4.5513 4.5513 4.8784 4.8784 4.8994 4.8994 5.6226 5.6226 6.1778 6.1778 6.2239 6.2239 6.4586 6.4586 6.4790 6.4790 7.1651 7.1651 7.5308 7.5308 7.7284 7.7284 8.5316 8.5316 8.5369 8.5369 8.7892 8.7892 8.8047 8.8047 9.5264 9.5264 k = 0.0375-0.0340-0.0222 ( 5306 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.7055 -13.7055 -12.1808 -12.1808 -12.1553 -12.1553 -11.2970 -11.2970 -10.7955 -10.7955 -10.7152 -10.7152 -4.7215 -4.7215 -4.6888 -4.6888 -4.2445 -4.2445 -2.8478 -2.8478 -2.7718 -2.7718 -2.0953 -2.0953 -2.0273 -2.0273 -0.7719 -0.7719 1.1355 1.1355 1.5044 1.5044 1.5633 1.5633 2.6041 2.6041 2.7316 2.7316 2.7749 2.7749 4.5511 4.5511 4.8760 4.8760 4.8973 4.8973 5.6199 5.6199 6.1672 6.1672 6.2128 6.2128 6.4612 6.4612 6.4841 6.4841 7.1596 7.1596 7.5269 7.5269 7.7278 7.7278 8.5296 8.5296 8.5356 8.5356 8.7799 8.7799 8.8026 8.8026 9.5181 9.5181 k = 0.0500-0.0454-0.0296 ( 5304 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.7001 -13.7001 -12.1914 -12.1914 -12.1563 -12.1563 -11.2810 -11.2810 -10.8018 -10.8018 -10.7201 -10.7201 -4.7226 -4.7226 -4.6883 -4.6883 -4.2439 -4.2439 -2.8633 -2.8633 -2.7785 -2.7785 -2.0987 -2.0987 -2.0242 -2.0242 -0.7651 -0.7651 1.1562 1.1562 1.5132 1.5132 1.5726 1.5726 2.6160 2.6160 2.7353 2.7353 2.7869 2.7869 4.5508 4.5508 4.8727 4.8727 4.8945 4.8945 5.6158 5.6158 6.1531 6.1531 6.1984 6.1984 6.4633 6.4633 6.4913 6.4913 7.1518 7.1518 7.5216 7.5216 7.7270 7.7270 8.5262 8.5262 8.5342 8.5342 8.7656 8.7656 8.8009 8.8009 9.5043 9.5051 k = 0.0625-0.0567-0.0370 ( 5302 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6931 -13.6931 -12.2053 -12.2053 -12.1564 -12.1564 -11.2613 -11.2613 -10.8104 -10.8104 -10.7257 -10.7257 -4.7242 -4.7242 -4.6875 -4.6875 -4.2431 -4.2431 -2.8852 -2.8852 -2.7846 -2.7846 -2.1026 -2.1026 -2.0210 -2.0210 -0.7561 -0.7561 1.1820 1.1820 1.5245 1.5245 1.5848 1.5848 2.6309 2.6309 2.7386 2.7386 2.8041 2.8041 4.5502 4.5502 4.8685 4.8685 4.8910 4.8910 5.6102 5.6102 6.1359 6.1359 6.1818 6.1818 6.4642 6.4642 6.5000 6.5000 7.1419 7.1419 7.5151 7.5151 7.7257 7.7257 8.5213 8.5213 8.5328 8.5328 8.7470 8.7470 8.7993 8.7993 9.4851 9.4855 k = 0.0750-0.0681-0.0445 ( 5308 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6847 -13.6847 -12.2218 -12.2218 -12.1561 -12.1561 -11.2383 -11.2383 -10.8215 -10.8215 -10.7317 -10.7317 -4.7264 -4.7264 -4.6864 -4.6864 -4.2420 -4.2420 -2.9134 -2.9134 -2.7897 -2.7897 -2.1071 -2.1071 -2.0177 -2.0177 -0.7448 -0.7448 1.2123 1.2123 1.5382 1.5382 1.6002 1.6002 2.6481 2.6481 2.7418 2.7418 2.8261 2.8261 4.5492 4.5492 4.8636 4.8636 4.8869 4.8869 5.6030 5.6030 6.1158 6.1158 6.1641 6.1641 6.4638 6.4638 6.5096 6.5096 7.1296 7.1296 7.5075 7.5075 7.7238 7.7238 8.5149 8.5149 8.5315 8.5315 8.7243 8.7243 8.7975 8.7975 9.4607 9.4607 k = 0.0875-0.0794-0.0519 ( 5311 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6747 -13.6747 -12.2403 -12.2403 -12.1555 -12.1555 -11.2127 -11.2127 -10.8353 -10.8353 -10.7377 -10.7377 -4.7291 -4.7291 -4.6849 -4.6849 -4.2408 -4.2408 -2.9473 -2.9473 -2.7940 -2.7940 -2.1121 -2.1121 -2.0146 -2.0146 -0.7308 -0.7308 1.2462 1.2462 1.5544 1.5544 1.6190 1.6190 2.6667 2.6667 2.7459 2.7459 2.8529 2.8529 4.5476 4.5476 4.8582 4.8582 4.8823 4.8823 5.5939 5.5939 6.0929 6.0929 6.1467 6.1467 6.4618 6.4618 6.5196 6.5196 7.1150 7.1150 7.4992 7.4992 7.7213 7.7213 8.5069 8.5069 8.5301 8.5301 8.6979 8.6979 8.7955 8.7955 9.4314 9.4314 k = 0.1000-0.0907-0.0593 ( 5317 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.6633 -13.6633 -12.2605 -12.2605 -12.1546 -12.1546 -11.1851 -11.1851 -10.8516 -10.8516 -10.7435 -10.7435 -4.7325 -4.7325 -4.6830 -4.6830 -4.2395 -4.2395 -2.9861 -2.9861 -2.7977 -2.7977 -2.1176 -2.1176 -2.0120 -2.0120 -0.7141 -0.7141 1.2830 1.2830 1.5734 1.5734 1.6411 1.6411 2.6849 2.6849 2.7526 2.7526 2.8841 2.8841 4.5453 4.5453 4.8524 4.8524 4.8770 4.8770 5.5827 5.5827 6.0673 6.0673 6.1304 6.1304 6.4581 6.4581 6.5296 6.5296 7.0981 7.0981 7.4901 7.4901 7.7180 7.7180 8.4971 8.4971 8.5288 8.5288 8.6682 8.6682 8.7930 8.7930 9.3975 9.3975 k = 0.1125-0.1021-0.0667 ( 5315 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.6504 -13.6504 -12.2818 -12.2818 -12.1534 -12.1534 -11.1563 -11.1563 -10.8701 -10.8701 -10.7491 -10.7491 -4.7366 -4.7366 -4.6807 -4.6807 -4.2379 -4.2379 -3.0290 -3.0290 -2.8009 -2.8009 -2.1235 -2.1235 -2.0099 -2.0099 -0.6946 -0.6946 1.3217 1.3217 1.5955 1.5955 1.6666 1.6666 2.6999 2.6999 2.7646 2.7646 2.9194 2.9194 4.5421 4.5421 4.8466 4.8466 4.8712 4.8712 5.5693 5.5693 6.0392 6.0392 6.1160 6.1160 6.4526 6.4526 6.5393 6.5393 7.0790 7.0790 7.4806 7.4806 7.7139 7.7139 8.4854 8.4854 8.5276 8.5276 8.6356 8.6356 8.7902 8.7902 9.3593 9.3593 k = 0.1250-0.1134-0.0741 ( 5315 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.6360 -13.6360 -12.3039 -12.3039 -12.1522 -12.1522 -11.1274 -11.1274 -10.8898 -10.8898 -10.7544 -10.7544 -4.7412 -4.7412 -4.6782 -4.6782 -4.2362 -4.2362 -3.0756 -3.0756 -2.8040 -2.8040 -2.1297 -2.1297 -2.0085 -2.0085 -0.6720 -0.6720 1.3612 1.3612 1.6212 1.6212 1.6955 1.6955 2.7095 2.7095 2.7836 2.7836 2.9588 2.9588 4.5378 4.5378 4.8408 4.8408 4.8648 4.8648 5.5538 5.5538 6.0093 6.0093 6.1039 6.1039 6.4451 6.4451 6.5484 6.5484 7.0576 7.0576 7.4708 7.4708 7.7088 7.7088 8.4714 8.4714 8.5263 8.5263 8.6007 8.6007 8.7870 8.7870 9.3169 9.3169 k = 0.1375-0.1248-0.0815 ( 5316 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.6203 -13.6203 -12.3265 -12.3265 -12.1507 -12.1507 -11.1005 -11.1005 -10.9088 -10.9088 -10.7595 -10.7595 -4.7463 -4.7463 -4.6753 -4.6753 -4.2343 -4.2343 -3.1252 -3.1252 -2.8068 -2.8068 -2.1363 -2.1363 -2.0080 -2.0080 -0.6464 -0.6464 1.4004 1.4004 1.6510 1.6510 1.7279 1.7279 2.7145 2.7145 2.8082 2.8082 3.0022 3.0022 4.5324 4.5324 4.8350 4.8350 4.8582 4.8582 5.5361 5.5361 5.9779 5.9779 6.0943 6.0943 6.4355 6.4355 6.5567 6.5567 7.0342 7.0342 7.4609 7.4609 7.7026 7.7026 8.4547 8.4547 8.5247 8.5247 8.5645 8.5645 8.7833 8.7833 9.2705 9.2705 k = 0.1500-0.1361-0.0889 ( 5322 PWs) bands (ev): -67.7230 -67.7230 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.6031 -13.6031 -12.3494 -12.3494 -12.1492 -12.1492 -11.0797 -11.0797 -10.9234 -10.9234 -10.7644 -10.7644 -4.7520 -4.7520 -4.6723 -4.6723 -4.2323 -4.2323 -3.1772 -3.1772 -2.8095 -2.8095 -2.1432 -2.1432 -2.0082 -2.0082 -0.6178 -0.6178 1.4382 1.4382 1.6854 1.6854 1.7636 1.7636 2.7168 2.7168 2.8362 2.8362 3.0493 3.0493 4.5259 4.5259 4.8286 4.8286 4.8520 4.8520 5.5166 5.5166 5.9457 5.9457 6.0873 6.0873 6.4237 6.4237 6.5642 6.5642 7.0087 7.0087 7.4509 7.4509 7.6952 7.6952 8.4346 8.4346 8.5186 8.5186 8.5321 8.5321 8.7792 8.7792 9.2203 9.2203 k = 0.1625-0.1475-0.0963 ( 5328 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3543 -34.3543 -13.5846 -13.5846 -12.3722 -12.3722 -12.1475 -12.1475 -11.0718 -11.0718 -10.9268 -10.9268 -10.7689 -10.7689 -4.7582 -4.7582 -4.6690 -4.6690 -4.2302 -4.2302 -3.2313 -3.2313 -2.8120 -2.8120 -2.1503 -2.1503 -2.0094 -2.0094 -0.5859 -0.5859 1.4738 1.4738 1.7246 1.7246 1.8028 1.8028 2.7178 2.7178 2.8657 2.8657 3.1002 3.1002 4.5182 4.5182 4.8204 4.8204 4.8474 4.8474 5.4955 5.4955 5.9131 5.9131 6.0827 6.0827 6.4097 6.4097 6.5705 6.5705 6.9815 6.9815 7.4411 7.4411 7.6866 7.6866 8.4100 8.4100 8.4875 8.4875 8.5254 8.5254 8.7747 8.7747 9.1665 9.1665 k = 0.1750-0.1588-0.1037 ( 5334 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3543 -34.3543 -13.5648 -13.5648 -12.3949 -12.3949 -12.1457 -12.1457 -11.0813 -11.0813 -10.9145 -10.9145 -10.7731 -10.7731 -4.7648 -4.7648 -4.6657 -4.6657 -4.2280 -4.2280 -3.2868 -3.2868 -2.8143 -2.8143 -2.1575 -2.1575 -2.0115 -2.0115 -0.5510 -0.5510 1.5069 1.5069 1.7681 1.7681 1.8456 1.8456 2.7178 2.7178 2.8956 2.8956 3.1544 3.1544 4.5098 4.5098 4.8093 4.8093 4.8452 4.8452 5.4734 5.4734 5.8807 5.8807 6.0805 6.0805 6.3934 6.3934 6.5755 6.5755 6.9529 6.9529 7.4314 7.4314 7.6765 7.6765 8.3799 8.3799 8.4532 8.4532 8.5240 8.5240 8.7697 8.7697 9.1093 9.1093 k = 0.1875-0.1702-0.1111 ( 5333 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3543 -34.3543 -13.5437 -13.5437 -12.4171 -12.4171 -12.1439 -12.1439 -11.1047 -11.1047 -10.8909 -10.8909 -10.7764 -10.7764 -4.7718 -4.7718 -4.6623 -4.6623 -4.2257 -4.2257 -3.3435 -3.3435 -2.8164 -2.8164 -2.1649 -2.1649 -2.0145 -2.0145 -0.5130 -0.5130 1.5374 1.5374 1.8152 1.8152 1.8920 1.8920 2.7174 2.7174 2.9250 2.9250 3.2117 3.2117 4.5010 4.5010 4.7953 4.7953 4.8454 4.8454 5.4509 5.4509 5.8489 5.8489 6.0804 6.0804 6.3748 6.3748 6.5790 6.5790 6.9231 6.9231 7.4221 7.4221 7.6649 7.6649 8.3441 8.3441 8.4212 8.4212 8.5230 8.5230 8.7645 8.7645 9.0490 9.0490 k = 0.2000-0.1815-0.1185 ( 5329 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.5213 -13.5213 -12.4388 -12.4388 -12.1419 -12.1419 -11.1361 -11.1361 -10.8628 -10.8628 -10.7779 -10.7779 -4.7792 -4.7792 -4.6590 -4.6590 -4.2234 -4.2234 -3.4008 -3.4008 -2.8183 -2.8183 -2.1724 -2.1724 -2.0185 -2.0185 -0.4720 -0.4720 1.5657 1.5657 1.8651 1.8651 1.9423 1.9423 2.7167 2.7167 2.9534 2.9534 3.2717 3.2717 4.4922 4.4922 4.7783 4.7783 4.8478 4.8478 5.4286 5.4286 5.8183 5.8183 6.0822 6.0822 6.3539 6.3539 6.5805 6.5805 6.8929 6.8929 7.4132 7.4132 7.6516 7.6516 8.3040 8.3040 8.3907 8.3907 8.5221 8.5221 8.7589 8.7589 8.9857 8.9857 k = 0.2125-0.1928-0.1260 ( 5335 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.4979 -13.4979 -12.4599 -12.4599 -12.1399 -12.1399 -11.1725 -11.1725 -10.8367 -10.8367 -10.7741 -10.7741 -4.7869 -4.7869 -4.6557 -4.6557 -4.2211 -4.2211 -3.4583 -3.4583 -2.8200 -2.8200 -2.1798 -2.1798 -2.0232 -2.0232 -0.4282 -0.4282 1.5919 1.5919 1.9167 1.9167 1.9962 1.9962 2.7157 2.7157 2.9801 2.9801 3.3336 3.3336 4.4839 4.4839 4.7582 4.7582 4.8520 4.8520 5.4071 5.4071 5.7892 5.7892 6.0854 6.0854 6.3307 6.3307 6.5796 6.5796 6.8628 6.8628 7.4048 7.4048 7.6364 7.6364 8.2614 8.2614 8.3607 8.3607 8.5211 8.5211 8.7529 8.7529 8.9198 8.9198 k = 0.2250-0.2042-0.1334 ( 5329 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.4733 -13.4733 -12.4801 -12.4801 -12.1379 -12.1379 -11.2120 -11.2120 -10.8212 -10.8212 -10.7581 -10.7581 -4.7949 -4.7949 -4.6525 -4.6525 -4.2187 -4.2187 -3.5157 -3.5157 -2.8215 -2.8215 -2.1873 -2.1873 -2.0288 -2.0288 -0.3816 -0.3816 1.6164 1.6164 1.9694 1.9694 2.0536 2.0536 2.7147 2.7147 3.0049 3.0049 3.3969 3.3969 4.4770 4.4770 4.7350 4.7350 4.8579 4.8579 5.3870 5.3870 5.7622 5.7622 6.0898 6.0898 6.3050 6.3050 6.5756 6.5756 6.8338 6.8338 7.3968 7.3968 7.6192 7.6192 8.2179 8.2179 8.3300 8.3300 8.5200 8.5200 8.7466 8.7466 8.8516 8.8516 k = 0.2375-0.2155-0.1408 ( 5327 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.4478 -13.4478 -12.4993 -12.4993 -12.1358 -12.1358 -11.2540 -11.2540 -10.8174 -10.8174 -10.7297 -10.7297 -4.8031 -4.8031 -4.6494 -4.6494 -4.2165 -4.2165 -3.5725 -3.5725 -2.8227 -2.8227 -2.1947 -2.1947 -2.0350 -2.0350 -0.3324 -0.3324 1.6394 1.6394 2.0229 2.0229 2.1136 2.1136 2.7135 2.7135 3.0277 3.0277 3.4603 3.4603 4.4720 4.4720 4.7086 4.7086 4.8655 4.8655 5.3689 5.3689 5.7376 5.7376 6.0949 6.0949 6.2771 6.2771 6.5677 6.5677 6.8070 6.8070 7.3894 7.3894 7.5998 7.5998 8.1746 8.1746 8.2981 8.2981 8.5186 8.5186 8.7392 8.7392 8.7823 8.7823 k = 0.2500-0.2269-0.1482 ( 5326 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.4214 -13.4214 -12.5175 -12.5175 -12.1336 -12.1336 -11.2979 -11.2979 -10.8189 -10.8189 -10.6959 -10.6959 -4.8115 -4.8115 -4.6466 -4.6466 -4.2143 -4.2143 -3.6283 -3.6283 -2.8236 -2.8236 -2.2019 -2.2019 -2.0419 -2.0419 -0.2808 -0.2808 1.6610 1.6610 2.0771 2.0771 2.1753 2.1753 2.7122 2.7122 3.0484 3.0484 3.5230 3.5230 4.4699 4.4699 4.6789 4.6789 4.8747 4.8747 5.3533 5.3533 5.7157 5.7157 6.1003 6.1003 6.2470 6.2470 6.5552 6.5552 6.7836 6.7836 7.3825 7.3825 7.5781 7.5781 8.1325 8.1325 8.2647 8.2647 8.5167 8.5167 8.7056 8.7056 8.7376 8.7376 k = 0.2625-0.2382-0.1556 ( 5322 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.3941 -13.3941 -12.5344 -12.5344 -12.1315 -12.1315 -11.3434 -11.3434 -10.8222 -10.8222 -10.6603 -10.6603 -4.8201 -4.8201 -4.6440 -4.6440 -4.2124 -4.2124 -3.6829 -3.6829 -2.8243 -2.8243 -2.2091 -2.2091 -2.0492 -2.0492 -0.2270 -0.2270 1.6813 1.6813 2.1321 2.1321 2.2377 2.2377 2.7110 2.7110 3.0674 3.0674 3.5834 3.5834 4.4716 4.4716 4.6460 4.6460 4.8855 4.8855 5.3404 5.3404 5.6968 5.6968 6.1052 6.1052 6.2148 6.2148 6.5377 6.5377 6.7642 6.7642 7.3762 7.3762 7.5539 7.5539 8.0923 8.0923 8.2296 8.2296 8.5136 8.5136 8.6349 8.6349 8.7293 8.7293 k = 0.2750-0.2496-0.1630 ( 5333 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3543 -34.3543 -13.3663 -13.3663 -12.5499 -12.5499 -12.1293 -12.1293 -11.3902 -11.3902 -10.8263 -10.8263 -10.6244 -10.6244 -4.8289 -4.8289 -4.6418 -4.6418 -4.2106 -4.2106 -3.7358 -3.7358 -2.8247 -2.8247 -2.2161 -2.2161 -2.0569 -2.0569 -0.1712 -0.1712 1.7001 1.7001 2.1876 2.1876 2.2994 2.2994 2.7098 2.7098 3.0853 3.0853 3.6401 3.6401 4.4778 4.4778 4.6100 4.6100 4.8983 4.8983 5.3304 5.3304 5.6810 5.6810 6.1087 6.1087 6.1812 6.1812 6.5158 6.5158 6.7492 6.7492 7.3704 7.3704 7.5274 7.5274 8.0544 8.0544 8.1928 8.1928 8.5050 8.5050 8.5667 8.5667 8.7224 8.7224 k = 0.2875-0.2609-0.1704 ( 5327 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.3379 -13.3379 -12.5639 -12.5639 -12.1272 -12.1272 -11.4382 -11.4382 -10.8307 -10.8307 -10.5887 -10.5887 -4.8377 -4.8377 -4.6399 -4.6399 -4.2092 -4.2092 -3.7867 -3.7867 -2.8248 -2.8248 -2.2229 -2.2229 -2.0649 -2.0649 -0.1136 -0.1136 1.7176 1.7176 2.2437 2.2437 2.3592 2.3592 2.7087 2.7087 3.1031 3.1031 3.6916 3.6916 4.4891 4.4891 4.5717 4.5717 4.9133 4.9133 5.3236 5.3236 5.6683 5.6683 6.1081 6.1081 6.1483 6.1483 6.4906 6.4906 6.7382 6.7382 7.3651 7.3651 7.4986 7.4986 8.0192 8.0192 8.1541 8.1541 8.4656 8.4656 8.5284 8.5284 8.7158 8.7158 k = 0.3000-0.2722-0.1778 ( 5325 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.3092 -13.3092 -12.5762 -12.5762 -12.1251 -12.1251 -11.4869 -11.4869 -10.8352 -10.8352 -10.5537 -10.5537 -4.8466 -4.8466 -4.6384 -4.6384 -4.2082 -4.2082 -3.8351 -3.8351 -2.8247 -2.8247 -2.2295 -2.2295 -2.0730 -2.0730 -0.0546 -0.0546 1.7334 1.7334 2.3001 2.3001 2.4154 2.4154 2.7078 2.7078 3.1221 3.1221 3.7366 3.7366 4.5020 4.5020 4.5350 4.5350 4.9307 4.9307 5.3198 5.3198 5.6583 5.6583 6.0927 6.0927 6.1261 6.1261 6.4639 6.4639 6.7302 6.7302 7.3600 7.3600 7.4680 7.4680 7.9870 7.9870 8.1136 8.1136 8.3959 8.3959 8.5199 8.5199 8.7092 8.7092 k = 0.3125-0.2836-0.1852 ( 5327 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.2805 -13.2805 -12.5866 -12.5866 -12.1230 -12.1230 -11.5364 -11.5364 -10.8398 -10.8398 -10.5196 -10.5196 -4.8555 -4.8555 -4.6373 -4.6373 -4.2077 -4.2077 -3.8808 -3.8808 -2.8244 -2.8244 -2.2360 -2.2360 -2.0811 -2.0811 0.0057 0.0057 1.7475 1.7475 2.3565 2.3565 2.4666 2.4666 2.7071 2.7071 3.1439 3.1439 3.7739 3.7739 4.4793 4.4793 4.5380 4.5380 4.9511 4.9511 5.3191 5.3191 5.6507 5.6507 6.0593 6.0593 6.1172 6.1172 6.4380 6.4380 6.7245 6.7245 7.3549 7.3549 7.4363 7.4363 7.9578 7.9578 8.0709 8.0709 8.3218 8.3218 8.5164 8.5164 8.7028 8.7028 k = 0.3250-0.2949-0.1926 ( 5323 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.2519 -13.2519 -12.5949 -12.5949 -12.1210 -12.1210 -11.5864 -11.5864 -10.8442 -10.8442 -10.4866 -10.4866 -4.8644 -4.8644 -4.6366 -4.6366 -4.2079 -4.2079 -3.9232 -3.9232 -2.8239 -2.8239 -2.2422 -2.2422 -2.0891 -2.0891 0.0668 0.0668 1.7597 1.7597 2.4122 2.4122 2.5115 2.5115 2.7067 2.7067 3.1701 3.1701 3.8033 3.8033 4.4348 4.4348 4.5661 4.5661 4.9749 4.9749 5.3213 5.3213 5.6448 5.6448 6.0216 6.0216 6.1075 6.1075 6.4148 6.4148 6.7203 6.7203 7.3487 7.3487 7.4050 7.4050 7.9313 7.9313 8.0260 8.0260 8.2480 8.2480 8.5138 8.5138 8.6964 8.6964 k = 0.3375-0.3063-0.2000 ( 5325 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.2237 -13.2237 -12.6009 -12.6009 -12.1191 -12.1191 -11.6368 -11.6368 -10.8486 -10.8486 -10.4550 -10.4550 -4.8732 -4.8732 -4.6365 -4.6365 -4.2090 -4.2090 -3.9621 -3.9621 -2.8232 -2.8232 -2.2482 -2.2482 -2.0969 -2.0969 0.1285 0.1285 1.7698 1.7698 2.4657 2.4657 2.5498 2.5498 2.7070 2.7070 3.2022 3.2022 3.8250 3.8250 4.3873 4.3873 4.6000 4.6000 5.0025 5.0025 5.3264 5.3264 5.6395 5.6395 5.9838 5.9838 6.0925 6.0925 6.3961 6.3961 6.7172 6.7172 7.3374 7.3374 7.3783 7.3783 7.9075 7.9075 7.9782 7.9782 8.1767 8.1767 8.5117 8.5117 8.6901 8.6901 k = 0.3500-0.3176-0.2075 ( 5320 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.1964 -13.1964 -12.6043 -12.6043 -12.1172 -12.1172 -11.6873 -11.6873 -10.8527 -10.8527 -10.4250 -10.4250 -4.8820 -4.8820 -4.6367 -4.6367 -4.2113 -4.2113 -3.9968 -3.9968 -2.8224 -2.8224 -2.2540 -2.2540 -2.1044 -2.1044 0.1902 0.1902 1.7775 1.7775 2.5140 2.5140 2.5831 2.5831 2.7085 2.7085 3.2407 3.2407 3.8399 3.8399 4.3382 4.3382 4.6365 4.6365 5.0341 5.0341 5.3343 5.3343 5.6336 5.6336 5.9483 5.9483 6.0713 6.0713 6.3828 6.3828 6.7147 6.7147 7.3145 7.3145 7.3635 7.3635 7.8859 7.8859 7.9272 7.9272 8.1094 8.1094 8.5097 8.5097 8.6841 8.6841 k = 0.3625-0.3290-0.2149 ( 5320 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.1702 -13.1702 -12.6048 -12.6048 -12.1154 -12.1154 -11.7377 -11.7377 -10.8567 -10.8567 -10.3967 -10.3967 -4.8905 -4.8905 -4.6375 -4.6375 -4.2151 -4.2151 -4.0272 -4.0272 -2.8215 -2.8215 -2.2595 -2.2595 -2.1114 -2.1114 0.2516 0.2516 1.7828 1.7828 2.5507 2.5507 2.6160 2.6160 2.7131 2.7131 3.2852 3.2852 3.8493 3.8493 4.2881 4.2881 4.6734 4.6734 5.0694 5.0694 5.3449 5.3449 5.6256 5.6256 5.9172 5.9172 6.0441 6.0441 6.3748 6.3748 6.7126 6.7126 7.2835 7.2835 7.3573 7.3573 7.8647 7.8647 7.8739 7.8739 8.0479 8.0479 8.5078 8.5078 8.6782 8.6782 k = 0.3750-0.3403-0.2223 ( 5316 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.1455 -13.1455 -12.6022 -12.6022 -12.1138 -12.1138 -11.7878 -11.7878 -10.8604 -10.8604 -10.3702 -10.3702 -4.8988 -4.8988 -4.6386 -4.6386 -4.2205 -4.2205 -4.0527 -4.0527 -2.8204 -2.8204 -2.2647 -2.2647 -2.1181 -2.1181 0.3122 0.3122 1.7853 1.7853 2.5716 2.5716 2.6478 2.6478 2.7264 2.7264 3.3346 3.3346 3.8550 3.8550 4.2376 4.2376 4.7088 4.7088 5.1073 5.1073 5.3581 5.3581 5.6145 5.6145 5.8924 5.8924 6.0119 6.0119 6.3712 6.3712 6.7108 6.7108 7.2500 7.2500 7.3544 7.3544 7.8133 7.8133 7.8489 7.8489 7.9933 7.9933 8.5061 8.5061 8.6726 8.6726 k = 0.3875-0.3517-0.2297 ( 5318 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.1228 -13.1228 -12.5963 -12.5963 -12.1122 -12.1122 -11.8374 -11.8374 -10.8638 -10.8638 -10.3457 -10.3457 -4.9068 -4.9068 -4.6401 -4.6401 -4.2276 -4.2276 -4.0732 -4.0732 -2.8194 -2.8194 -2.2696 -2.2696 -2.1242 -2.1242 0.3713 0.3713 1.7852 1.7852 2.5806 2.5806 2.6676 2.6676 2.7567 2.7567 3.3868 3.3868 3.8585 3.8585 4.1871 4.1871 4.7412 4.7412 5.1453 5.1453 5.3737 5.3737 5.6010 5.6010 5.8750 5.8750 5.9762 5.9762 6.3710 6.3710 6.7092 6.7092 7.2163 7.2163 7.3528 7.3528 7.7532 7.7532 7.8312 7.8312 7.9460 7.9460 8.5045 8.5045 8.6673 8.6673 k = 0.4000-0.3630-0.2371 ( 5318 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.1023 -13.1023 -12.5870 -12.5870 -12.1108 -12.1108 -11.8861 -11.8861 -10.8670 -10.8670 -10.3235 -10.3235 -4.9143 -4.9143 -4.6419 -4.6419 -4.2363 -4.2363 -4.0890 -4.0890 -2.8183 -2.8183 -2.2741 -2.2741 -2.1297 -2.1297 0.4283 0.4283 1.7824 1.7824 2.5826 2.5826 2.6754 2.6754 2.8003 2.8003 3.4392 3.4392 3.8617 3.8617 4.1373 4.1373 4.7701 4.7701 5.1796 5.1796 5.3918 5.3918 5.5880 5.5880 5.8646 5.8646 5.9386 5.9386 6.3731 6.3731 6.7076 6.7076 7.1829 7.1829 7.3520 7.3520 7.6929 7.6929 7.8134 7.8134 7.9064 7.9064 8.5030 8.5030 8.6624 8.6624 k = 0.4125-0.3743-0.2445 ( 5319 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.0843 -13.0843 -12.5744 -12.5744 -12.1096 -12.1096 -11.9336 -11.9336 -10.8698 -10.8698 -10.3035 -10.3035 -4.9213 -4.9213 -4.6439 -4.6439 -4.2459 -4.2459 -4.1007 -4.1007 -2.8173 -2.8173 -2.2782 -2.2782 -2.1346 -2.1346 0.4824 0.4824 1.7771 1.7771 2.5806 2.5806 2.6781 2.6781 2.8484 2.8484 3.4892 3.4892 3.8663 3.8663 4.0889 4.0889 4.7952 4.7952 5.2048 5.2048 5.4122 5.4122 5.5808 5.5808 5.8583 5.8583 5.9014 5.9014 6.3765 6.3765 6.7062 6.7062 7.1501 7.1501 7.3519 7.3519 7.6348 7.6348 7.7942 7.7942 7.8748 7.8748 8.5016 8.5016 8.6579 8.6579 k = 0.4250-0.3857-0.2519 ( 5317 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.0689 -13.0689 -12.5587 -12.5587 -12.1085 -12.1085 -11.9793 -11.9793 -10.8723 -10.8723 -10.2859 -10.2859 -4.9277 -4.9277 -4.6459 -4.6459 -4.2557 -4.2557 -4.1090 -4.1090 -2.8163 -2.8163 -2.2819 -2.2819 -2.1389 -2.1389 0.5326 0.5326 1.7698 1.7698 2.5764 2.5764 2.6790 2.6790 2.8962 2.8962 3.5339 3.5339 3.8740 3.8740 4.0427 4.0427 4.8164 4.8164 5.2163 5.2163 5.4347 5.4347 5.5846 5.5846 5.8438 5.8438 5.8761 5.8761 6.3806 6.3806 6.7049 6.7049 7.1182 7.1182 7.3523 7.3523 7.5809 7.5809 7.7732 7.7732 7.8515 7.8515 8.5005 8.5005 8.6539 8.6539 k = 0.4375-0.3970-0.2593 ( 5319 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.0562 -13.0562 -12.5406 -12.5406 -12.1075 -12.1075 -12.0227 -12.0227 -10.8745 -10.8745 -10.2708 -10.2708 -4.9333 -4.9333 -4.6479 -4.6479 -4.2649 -4.2649 -4.1148 -4.1148 -2.8155 -2.8155 -2.2851 -2.2851 -2.1426 -2.1426 0.5781 0.5781 1.7611 1.7611 2.5713 2.5713 2.6792 2.6792 2.9415 2.9415 3.5708 3.5708 3.8856 3.8856 3.9998 3.9998 4.8340 4.8340 5.2132 5.2132 5.4593 5.4593 5.6006 5.6006 5.8097 5.8097 5.8728 5.8728 6.3847 6.3847 6.7037 6.7037 7.0876 7.0876 7.3534 7.3534 7.5328 7.5328 7.7515 7.7515 7.8350 7.8350 8.4995 8.4995 8.6503 8.6503 k = 0.4500-0.4084-0.2667 ( 5321 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.0461 -13.0461 -12.5210 -12.5210 -12.1067 -12.1067 -12.0627 -12.0627 -10.8762 -10.8762 -10.2584 -10.2584 -4.9381 -4.9381 -4.6498 -4.6498 -4.2731 -4.2731 -4.1187 -4.1187 -2.8147 -2.8147 -2.2878 -2.2878 -2.1456 -2.1456 0.6176 0.6176 1.7519 1.7519 2.5663 2.5663 2.6791 2.6791 2.9824 2.9824 3.5986 3.5986 3.9006 3.9006 3.9621 3.9621 4.8482 4.8482 5.1997 5.1997 5.4859 5.4859 5.6249 5.6249 5.7710 5.7710 5.8756 5.8756 6.3886 6.3886 6.7027 6.7027 7.0592 7.0592 7.3550 7.3550 7.4918 7.4918 7.7310 7.7310 7.8237 7.8237 8.4986 8.4986 8.6474 8.6474 k = 0.4625-0.4197-0.2741 ( 5320 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.0385 -13.0385 -12.5014 -12.5014 -12.1065 -12.1065 -12.0976 -12.0976 -10.8776 -10.8776 -10.2486 -10.2486 -4.9420 -4.9420 -4.6514 -4.6514 -4.2797 -4.2797 -4.1214 -4.1214 -2.8141 -2.8141 -2.2899 -2.2899 -2.1479 -2.1479 0.6500 0.6500 1.7431 1.7431 2.5619 2.5619 2.6790 2.6790 3.0171 3.0171 3.6176 3.6176 3.9123 3.9123 3.9355 3.9355 4.8591 4.8591 5.1816 5.1816 5.5141 5.5141 5.6514 5.6514 5.7325 5.7325 5.8793 5.8793 6.3919 6.3919 6.7018 6.7018 7.0342 7.0342 7.3575 7.3575 7.4585 7.4585 7.7136 7.7136 7.8159 7.8159 8.4980 8.4980 8.6450 8.6450 k = 0.4750-0.4311-0.2815 ( 5324 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -13.0332 -13.0332 -12.4840 -12.4840 -12.1266 -12.1266 -12.1054 -12.1054 -10.8786 -10.8786 -10.2416 -10.2416 -4.9448 -4.9448 -4.6526 -4.6526 -4.2846 -4.2846 -4.1231 -4.1231 -2.8137 -2.8137 -2.2914 -2.2914 -2.1496 -2.1496 0.6741 0.6741 1.7359 1.7359 2.5586 2.5586 2.6789 2.6789 3.0438 3.0438 3.6292 3.6292 3.8988 3.8988 3.9402 3.9402 4.8668 4.8668 5.1646 5.1646 5.5436 5.5436 5.6741 5.6741 5.6959 5.6959 5.8825 5.8825 6.3944 6.3944 6.7011 6.7011 7.0145 7.0145 7.3606 7.3606 7.4333 7.4333 7.7004 7.7004 7.8107 7.8107 8.4975 8.4975 8.6433 8.6433 k = 0.4875-0.4424-0.2890 ( 5322 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -13.0301 -13.0301 -12.4717 -12.4717 -12.1454 -12.1454 -12.1052 -12.1052 -10.8792 -10.8792 -10.2373 -10.2373 -4.9465 -4.9465 -4.6533 -4.6533 -4.2875 -4.2875 -4.1240 -4.1240 -2.8134 -2.8134 -2.2923 -2.2923 -2.1506 -2.1506 0.6891 0.6891 1.7311 1.7311 2.5565 2.5565 2.6788 2.6788 3.0607 3.0607 3.6353 3.6353 3.8842 3.8842 3.9504 3.9504 4.8714 4.8714 5.1528 5.1528 5.5723 5.5723 5.6611 5.6611 5.6912 5.6912 5.8846 5.8846 6.3960 6.3960 6.7007 6.7007 7.0018 7.0018 7.3639 7.3639 7.4169 7.4169 7.6922 7.6922 7.8078 7.8078 8.4972 8.4972 8.6423 8.6423 k = 0.5000-0.4537-0.2964 ( 5318 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.0291 -13.0291 -12.4672 -12.4672 -12.1521 -12.1521 -12.1051 -12.1051 -10.8794 -10.8794 -10.2359 -10.2359 -4.9471 -4.9471 -4.6536 -4.6536 -4.2885 -4.2885 -4.1243 -4.1243 -2.8133 -2.8133 -2.2926 -2.2926 -2.1509 -2.1509 0.6942 0.6942 1.7294 1.7294 2.5558 2.5558 2.6787 2.6787 3.0665 3.0665 3.6372 3.6372 3.8791 3.8791 3.9543 3.9543 4.8729 4.8729 5.1485 5.1485 5.5890 5.5890 5.6430 5.6430 5.6965 5.6965 5.8853 5.8853 6.3966 6.3966 6.7006 6.7006 6.9973 6.9973 7.3656 7.3656 7.4109 7.4109 7.6894 7.6894 7.8069 7.8069 8.4971 8.4971 8.6419 8.6419 k = 0.5000-0.4537-0.2964 ( 5318 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.0291 -13.0291 -12.4672 -12.4672 -12.1521 -12.1521 -12.1051 -12.1051 -10.8794 -10.8794 -10.2359 -10.2359 -4.9471 -4.9471 -4.6536 -4.6536 -4.2885 -4.2885 -4.1243 -4.1243 -2.8133 -2.8133 -2.2926 -2.2926 -2.1509 -2.1509 0.6942 0.6942 1.7294 1.7294 2.5558 2.5558 2.6787 2.6787 3.0665 3.0665 3.6372 3.6372 3.8791 3.8791 3.9543 3.9543 4.8729 4.8729 5.1485 5.1485 5.5890 5.5890 5.6430 5.6430 5.6965 5.6965 5.8853 5.8853 6.3966 6.3966 6.7006 6.7006 6.9973 6.9973 7.3656 7.3656 7.4109 7.4109 7.6894 7.6894 7.8069 7.8069 8.4971 8.4971 8.6419 8.6419 k = 0.5000-0.4438-0.3116 ( 5318 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -13.0283 -13.0283 -12.4675 -12.4675 -12.1681 -12.1681 -12.0887 -12.0887 -10.8808 -10.8808 -10.2356 -10.2356 -4.9468 -4.9468 -4.6534 -4.6534 -4.2881 -4.2881 -4.1238 -4.1238 -2.8177 -2.8177 -2.2913 -2.2913 -2.1510 -2.1510 0.6982 0.6982 1.7274 1.7274 2.5573 2.5573 2.6826 2.6826 3.0639 3.0639 3.6380 3.6380 3.8791 3.8791 3.9554 3.9554 4.8721 4.8721 5.1459 5.1459 5.5761 5.5761 5.6445 5.6445 5.7084 5.7084 5.8862 5.8862 6.3881 6.3881 6.6992 6.6992 7.0036 7.0036 7.3661 7.3661 7.4114 7.4114 7.6924 7.6924 7.8071 7.8071 8.4965 8.4965 8.6401 8.6401 k = 0.5000-0.4339-0.3268 ( 5316 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.0258 -13.0258 -12.4683 -12.4683 -12.1960 -12.1960 -12.0596 -12.0596 -10.8850 -10.8850 -10.2348 -10.2348 -4.9460 -4.9460 -4.6528 -4.6528 -4.2871 -4.2871 -4.1223 -4.1223 -2.8307 -2.8307 -2.2874 -2.2874 -2.1512 -2.1512 0.7102 0.7102 1.7216 1.7216 2.5616 2.5616 2.6941 2.6941 3.0562 3.0562 3.6403 3.6403 3.8794 3.8794 3.9587 3.9587 4.8696 4.8696 5.1382 5.1382 5.5473 5.5473 5.6484 5.6484 5.7346 5.7346 5.8886 5.8886 6.3641 6.3641 6.6950 6.6950 7.0212 7.0212 7.3676 7.3676 7.4128 7.4128 7.7013 7.7013 7.8080 7.8080 8.4946 8.4946 8.6345 8.6345 k = 0.5000-0.4239-0.3420 ( 5314 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.0217 -13.0217 -12.4697 -12.4697 -12.2256 -12.2256 -12.0280 -12.0280 -10.8920 -10.8920 -10.2333 -10.2333 -4.9445 -4.9445 -4.6518 -4.6518 -4.2854 -4.2854 -4.1198 -4.1198 -2.8515 -2.8515 -2.2815 -2.2815 -2.1515 -2.1515 0.7301 0.7301 1.7122 1.7122 2.5688 2.5688 2.7127 2.7127 3.0436 3.0436 3.6439 3.6439 3.8798 3.8798 3.9642 3.9642 4.8653 4.8653 5.1258 5.1258 5.5129 5.5129 5.6539 5.6539 5.7650 5.7650 5.8923 5.8923 6.3279 6.3279 6.6881 6.6881 7.0473 7.0473 7.3701 7.3701 7.4152 7.4152 7.7160 7.7160 7.8095 7.8095 8.4914 8.4914 8.6251 8.6251 k = 0.5000-0.4140-0.3572 ( 5320 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.0159 -13.0159 -12.4717 -12.4717 -12.2552 -12.2552 -11.9956 -11.9956 -10.9016 -10.9016 -10.2314 -10.2314 -4.9426 -4.9426 -4.6507 -4.6507 -4.2831 -4.2831 -4.1160 -4.1160 -2.8794 -2.8794 -2.2742 -2.2742 -2.1520 -2.1520 0.7575 0.7575 1.7000 1.7000 2.5789 2.5789 2.7376 2.7376 3.0267 3.0267 3.6484 3.6484 3.8802 3.8802 3.9717 3.9717 4.8590 4.8590 5.1096 5.1096 5.4769 5.4769 5.6603 5.6603 5.7959 5.7959 5.8969 5.8969 6.2836 6.2836 6.6785 6.6785 7.0786 7.0786 7.3732 7.3732 7.4183 7.4183 7.7365 7.7365 7.8119 7.8119 8.4869 8.4869 8.6122 8.6122 k = 0.5000-0.4041-0.3724 ( 5320 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -13.0085 -13.0085 -12.4742 -12.4742 -12.2845 -12.2845 -11.9627 -11.9627 -10.9138 -10.9138 -10.2289 -10.2289 -4.9402 -4.9402 -4.6494 -4.6494 -4.2803 -4.2803 -4.1108 -4.1108 -2.9133 -2.9133 -2.2662 -2.2662 -2.1526 -2.1526 0.7920 0.7920 1.6854 1.6854 2.5919 2.5919 2.7681 2.7681 3.0061 3.0061 3.6534 3.6534 3.8806 3.8806 3.9811 3.9811 4.8505 4.8505 5.0903 5.0903 5.4412 5.4412 5.6665 5.6665 5.8259 5.8259 5.9012 5.9012 6.2357 6.2357 6.6666 6.6666 7.1124 7.1124 7.3766 7.3766 7.4220 7.4220 7.7625 7.7625 7.8156 7.8156 8.4812 8.4812 8.5958 8.5958 k = 0.5000-0.3942-0.3876 ( 5326 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.9995 -12.9995 -12.4774 -12.4774 -12.3133 -12.3133 -11.9295 -11.9295 -10.9286 -10.9286 -10.2259 -10.2259 -4.9373 -4.9373 -4.6483 -4.6483 -4.2770 -4.2770 -4.1040 -4.1040 -2.9523 -2.9523 -2.2579 -2.2579 -2.1533 -2.1533 0.8332 0.8332 1.6693 1.6693 2.6077 2.6077 2.8024 2.8024 2.9830 2.9830 3.6585 3.6585 3.8810 3.8810 3.9922 3.9922 4.8394 4.8394 5.0686 5.0686 5.4070 5.4070 5.6717 5.6717 5.8541 5.8541 5.9026 5.9026 6.1889 6.1889 6.6525 6.6525 7.1469 7.1469 7.3801 7.3801 7.4263 7.4263 7.7924 7.7924 7.8217 7.8217 8.4743 8.4743 8.5759 8.5759 k = 0.5000-0.3842-0.4028 ( 5318 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.9889 -12.9889 -12.4812 -12.4812 -12.3415 -12.3415 -11.8962 -11.8962 -10.9457 -10.9457 -10.2225 -10.2225 -4.9340 -4.9340 -4.6474 -4.6474 -4.2735 -4.2735 -4.0953 -4.0953 -2.9953 -2.9953 -2.2499 -2.2499 -2.1540 -2.1540 0.8806 0.8806 1.6523 1.6523 2.6265 2.6265 2.8375 2.8375 2.9603 2.9603 3.6631 3.6631 3.8811 3.8811 4.0049 4.0049 4.8253 4.8253 5.0451 5.0451 5.3755 5.3755 5.6754 5.6754 5.8791 5.8791 5.8981 5.8981 6.1494 6.1494 6.6366 6.6366 7.1809 7.1809 7.3832 7.3832 7.4312 7.4312 7.8167 7.8167 7.8396 7.8396 8.4663 8.4663 8.5528 8.5528 k = 0.5000-0.3743-0.4180 ( 5322 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.9767 -12.9767 -12.4856 -12.4856 -12.3689 -12.3689 -11.8628 -11.8628 -10.9651 -10.9651 -10.2187 -10.2187 -4.9305 -4.9305 -4.6469 -4.6469 -4.2699 -4.2699 -4.0845 -4.0845 -3.0416 -3.0416 -2.2425 -2.2425 -2.1548 -2.1548 0.9334 0.9334 1.6350 1.6350 2.6482 2.6482 2.8620 2.8620 2.9489 2.9489 3.6668 3.6668 3.8808 3.8808 4.0189 4.0189 4.8080 4.8080 5.0205 5.0205 5.3475 5.3475 5.6771 5.6771 5.8758 5.8758 5.9069 5.9069 6.1237 6.1237 6.6189 6.6189 7.2136 7.2136 7.3856 7.3856 7.4368 7.4368 7.8275 7.8275 7.8769 7.8769 8.4571 8.4571 8.5267 8.5267 k = 0.5000-0.3644-0.4332 ( 5320 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -12.9629 -12.9629 -12.4906 -12.4906 -12.3956 -12.3956 -11.8294 -11.8294 -10.9866 -10.9866 -10.2145 -10.2145 -4.9266 -4.9266 -4.6469 -4.6469 -4.2664 -4.2664 -4.0713 -4.0713 -3.0905 -3.0905 -2.2360 -2.2360 -2.1555 -2.1555 0.9910 0.9910 1.6179 1.6179 2.6728 2.6728 2.8552 2.8552 2.9692 2.9692 3.6694 3.6694 3.8799 3.8799 4.0340 4.0340 4.7870 4.7870 4.9950 4.9950 5.3239 5.3239 5.6765 5.6765 5.8432 5.8432 5.9278 5.9278 6.1146 6.1146 6.5998 6.5998 7.2446 7.2446 7.3870 7.3870 7.4433 7.4433 7.8366 7.8366 7.9209 7.9209 8.4470 8.4470 8.4979 8.4979 k = 0.5000-0.3544-0.4484 ( 5320 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -12.9476 -12.9476 -12.4964 -12.4964 -12.4215 -12.4215 -11.7961 -11.7961 -11.0099 -11.0099 -10.2101 -10.2101 -4.9226 -4.9226 -4.6475 -4.6475 -4.2631 -4.2631 -4.0555 -4.0555 -3.1412 -3.1412 -2.2303 -2.2303 -2.1562 -2.1562 1.0529 1.0529 1.6015 1.6015 2.6999 2.6999 2.8273 2.8273 3.0111 3.0111 3.6703 3.6703 3.8784 3.8784 4.0498 4.0498 4.7623 4.7623 4.9692 4.9692 5.3055 5.3055 5.6735 5.6735 5.7992 5.7992 5.9467 5.9467 6.1192 6.1192 6.5795 6.5795 7.2736 7.2736 7.3871 7.3871 7.4511 7.4511 7.8465 7.8465 7.9685 7.9685 8.4358 8.4358 8.4667 8.4667 k = 0.5000-0.3445-0.4636 ( 5326 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.9308 -12.9308 -12.5030 -12.5030 -12.4466 -12.4466 -11.7629 -11.7629 -11.0350 -11.0350 -10.2055 -10.2055 -4.9184 -4.9184 -4.6487 -4.6487 -4.2601 -4.2601 -4.0371 -4.0371 -3.1932 -3.1932 -2.2257 -2.2257 -2.1569 -2.1569 1.1182 1.1182 1.5862 1.5862 2.7279 2.7279 2.7939 2.7939 3.0602 3.0602 3.6692 3.6692 3.8758 3.8758 4.0659 4.0659 4.7341 4.7341 4.9432 4.9432 5.2927 5.2927 5.6669 5.6669 5.7506 5.7506 5.9628 5.9628 6.1326 6.1326 6.5584 6.5584 7.3001 7.3001 7.3857 7.3857 7.4607 7.4607 7.8577 7.8577 8.0184 8.0184 8.4227 8.4227 8.4347 8.4347 k = 0.5000-0.3346-0.4789 ( 5328 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.9125 -12.9125 -12.5103 -12.5103 -12.4706 -12.4706 -11.7298 -11.7298 -11.0616 -11.0616 -10.2007 -10.2007 -4.9143 -4.9143 -4.6506 -4.6506 -4.2575 -4.2575 -4.0162 -4.0162 -3.2458 -3.2458 -2.2220 -2.2220 -2.1576 -2.1576 1.1864 1.1864 1.5722 1.5722 2.7363 2.7363 2.7796 2.7796 3.1122 3.1122 3.6660 3.6660 3.8721 3.8721 4.0821 4.0821 4.7027 4.7027 4.9174 4.9174 5.2857 5.2857 5.6530 5.6530 5.7055 5.7055 5.9758 5.9758 6.1510 6.1510 6.5365 6.5365 7.3235 7.3235 7.3828 7.3828 7.4727 7.4727 7.8700 7.8700 8.0698 8.0699 8.3957 8.3957 8.4144 8.4144 k = 0.5000-0.3246-0.4941 ( 5322 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.8927 -12.8927 -12.5186 -12.5186 -12.4936 -12.4936 -11.6970 -11.6970 -11.0895 -11.0895 -10.1959 -10.1959 -4.9102 -4.9102 -4.6529 -4.6529 -4.2554 -4.2554 -3.9927 -3.9927 -3.2987 -3.2987 -2.2192 -2.2192 -2.1582 -2.1582 1.2568 1.2568 1.5599 1.5599 2.7012 2.7012 2.8092 2.8092 3.1655 3.1655 3.6602 3.6602 3.8671 3.8671 4.0979 4.0979 4.6689 4.6689 4.8922 4.8922 5.2845 5.2845 5.6217 5.6217 5.6767 5.6767 5.9856 5.9856 6.1722 6.1722 6.5143 6.5143 7.3431 7.3431 7.3784 7.3784 7.4879 7.4879 7.8832 7.8832 8.1219 8.1219 8.3602 8.3602 8.4015 8.4015 k = 0.5000-0.3147-0.5093 ( 5324 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.8716 -12.8716 -12.5282 -12.5282 -12.5151 -12.5151 -11.6645 -11.6645 -11.1184 -11.1184 -10.1912 -10.1912 -4.9063 -4.9063 -4.6557 -4.6557 -4.2537 -4.2537 -3.9669 -3.9669 -3.3512 -3.3512 -2.2172 -2.2172 -2.1588 -2.1588 1.3286 1.3286 1.5494 1.5494 2.6577 2.6577 2.8483 2.8483 3.2191 3.2191 3.6517 3.6517 3.8606 3.8606 4.1128 4.1128 4.6334 4.6334 4.8679 4.8679 5.2887 5.2887 5.5780 5.5780 5.6613 5.6613 5.9920 5.9920 6.1947 6.1947 6.4919 6.4919 7.3576 7.3576 7.3737 7.3737 7.5066 7.5066 7.8968 7.8968 8.1730 8.1730 8.3247 8.3247 8.3894 8.3894 k = 0.5000-0.3048-0.5245 ( 5332 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -12.8491 -12.8491 -12.5415 -12.5415 -12.5328 -12.5328 -11.6324 -11.6324 -11.1482 -11.1482 -10.1867 -10.1867 -4.9027 -4.9027 -4.6588 -4.6588 -4.2524 -4.2524 -3.9390 -3.9390 -3.4032 -3.4032 -2.2160 -2.2160 -2.1594 -2.1594 1.4011 1.4011 1.5411 1.5411 2.6114 2.6114 2.8914 2.8914 3.2722 3.2722 3.6404 3.6404 3.8524 3.8524 4.1262 4.1262 4.5975 4.5975 4.8449 4.8449 5.2981 5.2981 5.5335 5.5335 5.6485 5.6485 5.9949 5.9949 6.2175 6.2175 6.4695 6.4695 7.3599 7.3599 7.3758 7.3758 7.5286 7.5286 7.9105 7.9105 8.2166 8.2166 8.2961 8.2961 8.3779 8.3779 k = 0.5000-0.2948-0.5397 ( 5334 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -12.8253 -12.8253 -12.5597 -12.5597 -12.5455 -12.5455 -11.6006 -11.6006 -11.1785 -11.1785 -10.1824 -10.1824 -4.8995 -4.8995 -4.6619 -4.6619 -4.2516 -4.2516 -3.9093 -3.9093 -3.4541 -3.4541 -2.2153 -2.2153 -2.1601 -2.1601 1.4732 1.4732 1.5355 1.5355 2.5633 2.5633 2.9376 2.9376 3.3241 3.3241 3.6259 3.6259 3.8424 3.8424 4.1374 4.1374 4.5622 4.5622 4.8238 4.8238 5.3122 5.3122 5.4922 5.4922 5.6356 5.6356 5.9942 5.9942 6.2400 6.2400 6.4475 6.4475 7.3521 7.3521 7.3830 7.3830 7.5535 7.5535 7.9238 7.9238 8.2218 8.2218 8.3057 8.3057 8.3679 8.3679 k = 0.5000-0.2849-0.5549 ( 5330 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -12.8003 -12.8003 -12.5784 -12.5784 -12.5575 -12.5575 -11.5694 -11.5694 -11.2092 -11.2092 -10.1785 -10.1785 -4.8969 -4.8969 -4.6649 -4.6649 -4.2510 -4.2510 -3.8780 -3.8780 -3.5036 -3.5036 -2.2152 -2.2152 -2.1608 -2.1608 1.5245 1.5245 1.5523 1.5523 2.5135 2.5135 2.9865 2.9865 3.3740 3.3740 3.6083 3.6083 3.8308 3.8308 4.1455 4.1455 4.5291 4.5291 4.8053 4.8053 5.3302 5.3302 5.4555 5.4555 5.6218 5.6218 5.9900 5.9900 6.2617 6.2617 6.4260 6.4260 7.3419 7.3419 7.3883 7.3883 7.5805 7.5805 7.9361 7.9361 8.1927 8.1927 8.3450 8.3450 8.3644 8.3644 k = 0.5000-0.2750-0.5701 ( 5332 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -12.7742 -12.7742 -12.5963 -12.5963 -12.5702 -12.5702 -11.5387 -11.5387 -11.2398 -11.2398 -10.1752 -10.1752 -4.8948 -4.8948 -4.6676 -4.6676 -4.2508 -4.2508 -3.8455 -3.8455 -3.5513 -3.5513 -2.2154 -2.2154 -2.1616 -2.1616 1.5254 1.5254 1.6205 1.6205 2.4623 2.4623 3.0378 3.0378 3.4212 3.4212 3.5877 3.5877 3.8177 3.8177 4.1494 4.1494 4.4996 4.4996 4.7900 4.7900 5.3511 5.3511 5.4243 5.4243 5.6068 5.6068 5.9824 5.9824 6.2824 6.2824 6.4052 6.4052 7.3302 7.3302 7.3910 7.3910 7.6087 7.6087 7.9469 7.9469 8.1588 8.1588 8.3483 8.3483 8.4047 8.4047 k = 0.5000-0.2650-0.5853 ( 5338 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -12.7471 -12.7471 -12.6132 -12.6132 -12.5836 -12.5836 -11.5088 -11.5088 -11.2701 -11.2701 -10.1725 -10.1725 -4.8933 -4.8933 -4.6699 -4.6699 -4.2509 -4.2509 -3.8122 -3.8122 -3.5968 -3.5968 -2.2159 -2.2159 -2.1625 -2.1625 1.5252 1.5252 1.6901 1.6901 2.4099 2.4099 3.0906 3.0906 3.4646 3.4646 3.5644 3.5644 3.8036 3.8036 4.1480 4.1480 4.4754 4.4754 4.7789 4.7789 5.3705 5.3705 5.4021 5.4021 5.5909 5.5909 5.9718 5.9718 6.3016 6.3016 6.3851 6.3851 7.3174 7.3174 7.3911 7.3911 7.6374 7.6374 7.9558 7.9558 8.1261 8.1261 8.3439 8.3439 8.4556 8.4556 k = 0.5000-0.2551-0.6005 ( 5332 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -12.7194 -12.7194 -12.6289 -12.6289 -12.5977 -12.5977 -11.4798 -11.4798 -11.2996 -11.2996 -10.1705 -10.1705 -4.8925 -4.8925 -4.6715 -4.6715 -4.2513 -4.2513 -3.7786 -3.7786 -3.6396 -3.6396 -2.2166 -2.2166 -2.1635 -2.1635 1.5265 1.5265 1.7579 1.7579 2.3567 2.3567 3.1440 3.1440 3.5005 3.5005 3.5418 3.5418 3.7892 3.7892 4.1405 4.1405 4.4575 4.4575 4.7726 4.7726 5.3673 5.3673 5.4085 5.4085 5.5744 5.5744 5.9588 5.9588 6.3191 6.3191 6.3660 6.3660 7.3036 7.3036 7.3885 7.3885 7.6659 7.6659 7.9623 7.9623 8.0968 8.0968 8.3415 8.3415 8.5065 8.5065 k = 0.5000-0.2452-0.6157 ( 5334 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -12.6919 -12.6919 -12.6434 -12.6434 -12.6119 -12.6119 -11.4526 -11.4526 -11.3273 -11.3273 -10.1694 -10.1694 -4.8924 -4.8924 -4.6726 -4.6726 -4.2518 -4.2518 -3.7466 -3.7466 -3.6776 -3.6776 -2.2175 -2.2175 -2.1645 -2.1645 1.5290 1.5290 1.8231 1.8231 2.3029 2.3029 3.1967 3.1967 3.4987 3.4987 3.5496 3.5496 3.7756 3.7756 4.1270 4.1270 4.4464 4.4464 4.7719 4.7719 5.3525 5.3525 5.4302 5.4302 5.5583 5.5583 5.9445 5.9445 6.3346 6.3346 6.3481 6.3481 7.2889 7.2889 7.3829 7.3829 7.6934 7.6934 7.9663 7.9663 8.0724 8.0724 8.3412 8.3412 8.5556 8.5556 k = 0.5000-0.2352-0.6309 ( 5338 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -12.6692 -12.6692 -12.6554 -12.6554 -12.6229 -12.6229 -11.4297 -11.4297 -11.3505 -11.3505 -10.1694 -10.1694 -4.8928 -4.8928 -4.6729 -4.6729 -4.2525 -4.2525 -3.7354 -3.7354 -3.6920 -3.6920 -2.2185 -2.2185 -2.1656 -2.1656 1.5324 1.5324 1.8846 1.8846 2.2495 2.2495 3.2463 3.2463 3.4691 3.4691 3.5784 3.5784 3.7645 3.7645 4.1084 4.1084 4.4414 4.4414 4.7771 4.7771 5.3404 5.3404 5.4483 5.4483 5.5448 5.5448 5.9305 5.9305 6.3299 6.3299 6.3492 6.3492 7.2734 7.2734 7.3743 7.3743 7.7190 7.7190 7.9676 7.9676 8.0542 8.0542 8.3423 8.3423 8.5392 8.5392 k = 0.5000-0.2253-0.6461 ( 5338 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -12.6719 -12.6719 -12.6606 -12.6606 -12.6145 -12.6145 -11.4203 -11.4203 -11.3596 -11.3596 -10.1705 -10.1705 -4.8938 -4.8938 -4.6725 -4.6725 -4.2533 -4.2533 -3.7627 -3.7627 -3.6647 -3.6647 -2.2197 -2.2197 -2.1667 -2.1667 1.5359 1.5359 1.9412 1.9412 2.1981 2.1981 3.2901 3.2901 3.4353 3.4353 3.6049 3.6049 3.7578 3.7578 4.0868 4.0868 4.4415 4.4415 4.7883 4.7883 5.3319 5.3319 5.4551 5.4551 5.5384 5.5384 5.9190 5.9190 6.3137 6.3137 6.3608 6.3608 7.2571 7.2571 7.3623 7.3623 7.7421 7.7421 7.9665 7.9665 8.0436 8.0436 8.3428 8.3428 8.4863 8.4863 k = 0.5000-0.2154-0.6613 ( 5338 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -12.6836 -12.6836 -12.6743 -12.6743 -12.5880 -12.5880 -11.4323 -11.4323 -11.3467 -11.3467 -10.1728 -10.1728 -4.8950 -4.8950 -4.6715 -4.6715 -4.2542 -4.2542 -3.7940 -3.7940 -3.6306 -3.6306 -2.2209 -2.2209 -2.1677 -2.1677 1.5384 1.5384 1.9889 1.9889 2.1530 2.1530 3.3243 3.3243 3.4000 3.4000 3.6278 3.6278 3.7571 3.7571 4.0648 4.0648 4.4449 4.4449 4.8054 4.8054 5.3268 5.3268 5.4472 5.4472 5.5392 5.5392 5.9130 5.9130 6.2982 6.2982 6.3704 6.3704 7.2400 7.2400 7.3472 7.3472 7.7622 7.7622 7.9632 7.9632 8.0410 8.0410 8.3368 8.3368 8.4447 8.4447 k = 0.5000-0.2054-0.6765 ( 5342 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -12.6988 -12.6988 -12.6882 -12.6882 -12.5573 -12.5573 -11.4530 -11.4530 -11.3242 -11.3242 -10.1766 -10.1766 -4.8964 -4.8964 -4.6700 -4.6700 -4.2551 -4.2551 -3.8234 -3.8234 -3.5956 -3.5956 -2.2222 -2.2222 -2.1685 -2.1685 1.5383 1.5383 2.0151 2.0151 2.1280 2.1280 3.3421 3.3421 3.3680 3.3680 3.6473 3.6473 3.7625 3.7625 4.0461 4.0461 4.4503 4.4503 4.8278 4.8278 5.3238 5.3238 5.4303 5.4303 5.5396 5.5396 5.9154 5.9154 6.2837 6.2837 6.3777 6.3777 7.2222 7.2222 7.3292 7.3292 7.7792 7.7792 7.9579 7.9579 8.0466 8.0466 8.3154 8.3154 8.4247 8.4247 k = 0.5000-0.1955-0.6918 ( 5348 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -12.7190 -12.7190 -12.6980 -12.6980 -12.5253 -12.5253 -11.4747 -11.4747 -11.2996 -11.2996 -10.1818 -10.1818 -4.8977 -4.8977 -4.6682 -4.6682 -4.2557 -4.2557 -3.8500 -3.8500 -3.5605 -3.5605 -2.2237 -2.2237 -2.1692 -2.1692 1.5334 1.5334 2.0036 2.0036 2.1409 2.1409 3.3191 3.3191 3.3638 3.3638 3.6636 3.6636 3.7705 3.7705 4.0361 4.0361 4.4565 4.4565 4.8547 4.8547 5.3207 5.3207 5.4115 5.4115 5.5331 5.5331 5.9279 5.9279 6.2705 6.2705 6.3827 6.3827 7.2035 7.2035 7.3087 7.3087 7.7939 7.7939 7.9503 7.9503 8.0596 8.0596 8.2813 8.2813 8.4242 8.4242 k = 0.5000-0.1856-0.7070 ( 5344 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -12.7415 -12.7415 -12.7058 -12.7058 -12.4928 -12.4928 -11.4953 -11.4953 -11.2746 -11.2746 -10.1886 -10.1886 -4.8988 -4.8988 -4.6660 -4.6660 -4.2562 -4.2562 -3.8737 -3.8737 -3.5255 -3.5255 -2.2253 -2.2253 -2.1695 -2.1695 1.5209 1.5209 1.9755 1.9755 2.1728 2.1728 3.2826 3.2826 3.3624 3.3624 3.6768 3.6768 3.7740 3.7740 4.0411 4.0411 4.4622 4.4622 4.8853 4.8853 5.3125 5.3125 5.3980 5.3980 5.5181 5.5181 5.9500 5.9500 6.2588 6.2588 6.3855 6.3855 7.1838 7.1838 7.2864 7.2864 7.8072 7.8072 7.9403 7.9403 8.0785 8.0785 8.2452 8.2452 8.4332 8.4332 k = 0.5000-0.1756-0.7222 ( 5340 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -12.7656 -12.7656 -12.7120 -12.7120 -12.4602 -12.4602 -11.5142 -11.5142 -11.2499 -11.2499 -10.1971 -10.1971 -4.8996 -4.8996 -4.6637 -4.6637 -4.2562 -4.2562 -3.8945 -3.8945 -3.4910 -3.4910 -2.2272 -2.2272 -2.1695 -2.1695 1.4978 1.4978 1.9506 1.9506 2.2061 2.2061 3.2454 3.2454 3.3547 3.3547 3.6870 3.6870 3.7667 3.7667 4.0650 4.0650 4.4665 4.4665 4.9184 4.9184 5.2937 5.2937 5.3957 5.3957 5.4964 5.4964 5.9793 5.9793 6.2493 6.2493 6.3860 6.3860 7.1631 7.1631 7.2632 7.2632 7.8203 7.8203 7.9280 7.9280 8.1014 8.1014 8.2137 8.2137 8.4464 8.4464 k = 0.5000-0.1657-0.7374 ( 5340 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -12.7910 -12.7910 -12.7169 -12.7169 -12.4277 -12.4277 -11.5309 -11.5309 -11.2256 -11.2256 -10.2074 -10.2074 -4.8998 -4.8998 -4.6614 -4.6614 -4.2556 -4.2556 -3.9122 -3.9122 -3.4569 -3.4569 -2.2294 -2.2294 -2.1689 -2.1689 1.4625 1.4625 1.9353 1.9353 2.2357 2.2357 3.2088 3.2088 3.3431 3.3431 3.6947 3.6947 3.7484 3.7484 4.1053 4.1053 4.4682 4.4682 4.9529 4.9529 5.2650 5.2650 5.4040 5.4040 5.4712 5.4712 6.0127 6.0127 6.2428 6.2428 6.3843 6.3843 7.1410 7.1410 7.2398 7.2398 7.8338 7.8338 7.9137 7.9137 8.1257 8.1257 8.1904 8.1904 8.4618 8.4618 k = 0.7867-0.0387-0.4481 ( 5340 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -12.7910 -12.7910 -12.7169 -12.7169 -12.4278 -12.4278 -11.5309 -11.5309 -11.2255 -11.2255 -10.2074 -10.2074 -4.8998 -4.8998 -4.6614 -4.6614 -4.2556 -4.2556 -3.9123 -3.9123 -3.4568 -3.4568 -2.2294 -2.2294 -2.1689 -2.1689 1.4625 1.4625 1.9352 1.9352 2.2358 2.2358 3.2087 3.2087 3.3431 3.3431 3.6948 3.6948 3.7484 3.7484 4.1053 4.1053 4.4682 4.4682 4.9529 4.9529 5.2650 5.2650 5.4041 5.4041 5.4711 5.4711 6.0128 6.0128 6.2428 6.2428 6.3843 6.3843 7.1410 7.1410 7.2398 7.2398 7.8338 7.8338 7.9137 7.9137 8.1256 8.1256 8.1904 8.1904 8.4617 8.4617 k = 0.7791-0.0319-0.4325 ( 5340 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -12.8182 -12.8182 -12.7206 -12.7206 -12.3950 -12.3950 -11.5453 -11.5453 -11.2012 -11.2012 -10.2198 -10.2198 -4.8993 -4.8993 -4.6591 -4.6591 -4.2544 -4.2544 -3.9275 -3.9275 -3.4224 -3.4224 -2.2320 -2.2320 -2.1678 -2.1678 1.4135 1.4135 1.9305 1.9305 2.2603 2.2603 3.1724 3.1724 3.3295 3.3295 3.7001 3.7001 3.7220 3.7220 4.1575 4.1575 4.4665 4.4665 4.9886 4.9886 5.2291 5.2291 5.4157 5.4157 5.4491 5.4491 6.0476 6.0476 6.2409 6.2409 6.3804 6.3804 7.1167 7.1167 7.2163 7.2163 7.8486 7.8486 7.8980 7.8980 8.1438 8.1438 8.1828 8.1828 8.4786 8.4786 k = 0.7716-0.0250-0.4169 ( 5328 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -12.8466 -12.8466 -12.7228 -12.7228 -12.3632 -12.3632 -11.5567 -11.5567 -11.1775 -11.1775 -10.2342 -10.2342 -4.8981 -4.8981 -4.6569 -4.6569 -4.2522 -4.2522 -3.9397 -3.9397 -3.3886 -3.3886 -2.2350 -2.2350 -2.1660 -2.1660 1.3534 1.3534 1.9357 1.9357 2.2780 2.2780 3.1377 3.1377 3.3159 3.3159 3.6880 3.6880 3.7072 3.7072 4.2148 4.2148 4.4603 4.4603 5.0236 5.0236 5.1890 5.1890 5.4060 5.4060 5.4562 5.4562 6.0792 6.0792 6.2460 6.2460 6.3745 6.3745 7.0905 7.0905 7.1941 7.1941 7.8643 7.8643 7.8831 7.8831 8.1443 8.1443 8.2014 8.2014 8.4963 8.4963 k = 0.7641-0.0182-0.4013 ( 5324 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.8759 -12.8759 -12.7236 -12.7236 -12.3325 -12.3325 -11.5647 -11.5647 -11.1545 -11.1545 -10.2506 -10.2506 -4.8961 -4.8961 -4.6549 -4.6549 -4.2491 -4.2491 -3.9489 -3.9489 -3.3554 -3.3554 -2.2385 -2.2385 -2.1635 -2.1635 1.2846 1.2846 1.9484 1.9484 2.2884 2.2884 3.1047 3.1047 3.3029 3.3029 3.6557 3.6557 3.7099 3.7099 4.2723 4.2723 4.4495 4.4495 5.0566 5.0566 5.1465 5.1465 5.3854 5.3854 5.4831 5.4831 6.1041 6.1041 6.2602 6.2602 6.3668 6.3668 7.0621 7.0621 7.1736 7.1736 7.8681 7.8681 7.8838 7.8838 8.1416 8.1416 8.2305 8.2305 8.5143 8.5143 k = 0.7565-0.0113-0.3857 ( 5322 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.9061 -12.9061 -12.7231 -12.7231 -12.3034 -12.3034 -11.5691 -11.5691 -11.1322 -11.1322 -10.2690 -10.2690 -4.8933 -4.8933 -4.6530 -4.6530 -4.2450 -4.2450 -3.9553 -3.9553 -3.3229 -3.3229 -2.2423 -2.2423 -2.1603 -2.1603 1.2095 1.2095 1.9664 1.9664 2.2912 2.2912 3.0738 3.0738 3.2901 3.2901 3.6235 3.6235 3.7127 3.7127 4.3237 4.3237 4.4368 4.4368 5.0798 5.0798 5.1096 5.1096 5.3688 5.3688 5.5161 5.5161 6.1214 6.1214 6.2836 6.2836 6.3577 6.3577 7.0313 7.0313 7.1554 7.1554 7.8598 7.8598 7.9021 7.9021 8.1423 8.1423 8.2617 8.2617 8.5324 8.5324 k = 0.7490-0.0045-0.3701 ( 5320 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.9370 -12.9370 -12.7211 -12.7211 -12.2763 -12.2763 -11.5695 -11.5695 -11.1107 -11.1107 -10.2894 -10.2894 -4.8898 -4.8898 -4.6513 -4.6513 -4.2399 -4.2399 -3.9587 -3.9587 -3.2911 -3.2911 -2.2466 -2.2466 -2.1564 -2.1564 1.1296 1.1296 1.9878 1.9878 2.2867 2.2867 3.0450 3.0450 3.2762 3.2762 3.5944 3.5944 3.7152 3.7152 4.3518 4.3518 4.4372 4.4372 5.0469 5.0469 5.1248 5.1248 5.3590 5.3590 5.5530 5.5530 6.1334 6.1334 6.3127 6.3127 6.3483 6.3483 6.9980 6.9980 7.1395 7.1395 7.8566 7.8566 7.9224 7.9224 8.1469 8.1469 8.2934 8.2934 8.5505 8.5505 k = 0.7414 0.0024-0.3545 ( 5322 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -12.9685 -12.9685 -12.7178 -12.7178 -12.2515 -12.2515 -11.5658 -11.5658 -11.0900 -11.0900 -10.3119 -10.3119 -4.8855 -4.8855 -4.6498 -4.6498 -4.2339 -4.2339 -3.9590 -3.9590 -3.2600 -3.2600 -2.2514 -2.2514 -2.1516 -2.1516 1.0464 1.0464 2.0111 2.0111 2.2754 2.2754 3.0183 3.0183 3.2586 3.2586 3.5708 3.5708 3.7175 3.7175 4.3382 4.3382 4.4680 4.4680 4.9987 4.9987 5.1522 5.1522 5.3569 5.3569 5.5926 5.5926 6.1432 6.1432 6.3306 6.3306 6.3521 6.3521 6.9624 6.9624 7.1263 7.1263 7.8600 7.8600 7.9439 7.9439 8.1549 8.1549 8.3250 8.3250 8.5687 8.5687 k = 0.7339 0.0092-0.3389 ( 5334 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0004 -13.0004 -12.7132 -12.7132 -12.2293 -12.2293 -11.5578 -11.5578 -11.0700 -11.0700 -10.3363 -10.3363 -4.8806 -4.8806 -4.6484 -4.6484 -4.2271 -4.2271 -3.9562 -3.9562 -3.2297 -3.2297 -2.2565 -2.2565 -2.1461 -2.1461 0.9609 0.9609 2.0350 2.0350 2.2582 2.2582 2.9937 2.9937 3.2347 3.2347 3.5550 3.5550 3.7199 3.7199 4.3035 4.3035 4.5085 4.5085 4.9486 4.9486 5.1789 5.1789 5.3624 5.3624 5.6339 5.6339 6.1532 6.1532 6.3214 6.3214 6.3829 6.3829 6.9248 6.9248 7.1158 7.1158 7.8705 7.8705 7.9666 7.9666 8.1659 8.1659 8.3562 8.3562 8.5868 8.5868 k = 0.7263 0.0160-0.3233 ( 5338 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0327 -13.0327 -12.7071 -12.7071 -12.2098 -12.2098 -11.5455 -11.5455 -11.0509 -11.0509 -10.3625 -10.3625 -4.8752 -4.8752 -4.6470 -4.6470 -4.2198 -4.2198 -3.9500 -3.9500 -3.2001 -3.2001 -2.2621 -2.2621 -2.1398 -2.1398 0.8740 0.8740 2.0582 2.0582 2.2363 2.2363 2.9714 2.9714 3.2028 3.2028 3.5476 3.5476 3.7223 3.7223 4.2605 4.2605 4.5470 4.5470 4.8978 4.8978 5.2046 5.2046 5.3746 5.3746 5.6759 5.6759 6.1648 6.1648 6.3097 6.3097 6.4148 6.4148 6.8855 6.8855 7.1080 7.1080 7.8882 7.8882 7.9903 7.9904 8.1796 8.1796 8.3867 8.3867 8.6049 8.6049 k = 0.7188 0.0229-0.3077 ( 5328 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -13.0652 -13.0652 -12.6997 -12.6997 -12.1932 -12.1932 -11.5290 -11.5290 -11.0327 -11.0327 -10.3906 -10.3906 -4.8693 -4.8693 -4.6457 -4.6457 -4.2124 -4.2124 -3.9402 -3.9402 -3.1713 -3.1713 -2.2681 -2.2681 -2.1327 -2.1327 0.7864 0.7864 2.0788 2.0788 2.2115 2.2115 2.9514 2.9514 3.1626 3.1626 3.5474 3.5474 3.7248 3.7248 4.2139 4.2139 4.5807 4.5807 4.8472 4.8472 5.2292 5.2292 5.3925 5.3925 5.7179 5.7179 6.1785 6.1785 6.2979 6.2979 6.4453 6.4453 6.8452 6.8452 7.1029 7.1029 7.9130 7.9130 8.0151 8.0151 8.1956 8.1956 8.4165 8.4165 8.6230 8.6230 k = 0.7112 0.0297-0.2921 ( 5324 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -13.0977 -13.0977 -12.6909 -12.6909 -12.1793 -12.1793 -11.5084 -11.5084 -11.0153 -11.0153 -10.4203 -10.4203 -4.8630 -4.8630 -4.6445 -4.6445 -4.2050 -4.2050 -3.9264 -3.9264 -3.1433 -3.1433 -2.2745 -2.2745 -2.1247 -2.1247 0.6986 0.6986 2.0933 2.0933 2.1876 2.1876 2.9335 2.9335 3.1149 3.1149 3.5517 3.5517 3.7273 3.7273 4.1669 4.1669 4.6089 4.6089 4.7974 4.7974 5.2530 5.2530 5.4146 5.4146 5.7588 5.7588 6.1943 6.1943 6.2866 6.2866 6.4738 6.4738 6.8045 6.8045 7.1005 7.1005 7.9443 7.9443 8.0408 8.0408 8.2136 8.2136 8.4453 8.4453 8.6413 8.6413 k = 0.7037 0.0366-0.2765 ( 5322 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.1301 -13.1301 -12.6808 -12.6808 -12.1681 -12.1681 -11.4841 -11.4841 -10.9989 -10.9989 -10.4515 -10.4515 -4.8564 -4.8564 -4.6433 -4.6433 -4.1980 -4.1980 -3.9085 -3.9085 -3.1162 -3.1162 -2.2813 -2.2813 -2.1158 -2.1158 0.6111 0.6111 2.0933 2.0933 2.1727 2.1727 2.9177 2.9177 3.0608 3.0608 3.5571 3.5571 3.7298 3.7298 4.1227 4.1227 4.6316 4.6316 4.7492 4.7492 5.2761 5.2761 5.4396 5.4396 5.7981 5.7981 6.2114 6.2114 6.2765 6.2765 6.5005 6.5005 6.7641 6.7641 7.1006 7.1006 7.9813 7.9813 8.0672 8.0672 8.2336 8.2336 8.4732 8.4732 8.6599 8.6599 k = 0.6962 0.0434-0.2609 ( 5322 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.1624 -13.1624 -12.6693 -12.6693 -12.1593 -12.1593 -11.4565 -11.4565 -10.9835 -10.9835 -10.4842 -10.4842 -4.8496 -4.8496 -4.6423 -4.6423 -4.1916 -4.1916 -3.8863 -3.8863 -3.0900 -3.0900 -2.2885 -2.2885 -2.1061 -2.1061 0.5245 0.5245 2.0732 2.0732 2.1728 2.1728 2.9038 2.9038 3.0016 3.0016 3.5600 3.5600 3.7320 3.7320 4.0849 4.0849 4.6489 4.6489 4.7034 4.7034 5.2986 5.2986 5.4662 5.4662 5.8351 5.8351 6.2281 6.2281 6.2685 6.2685 6.5261 6.5261 6.7246 6.7246 7.1033 7.1033 8.0230 8.0230 8.0945 8.0945 8.2552 8.2552 8.4999 8.4999 8.6790 8.6790 k = 0.6886 0.0503-0.2453 ( 5326 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.1943 -13.1943 -12.6566 -12.6566 -12.1526 -12.1526 -11.4261 -11.4261 -10.9693 -10.9693 -10.5179 -10.5179 -4.8426 -4.8426 -4.6415 -4.6415 -4.1860 -4.1860 -3.8599 -3.8599 -3.0649 -3.0649 -2.2961 -2.2961 -2.0956 -2.0956 0.4391 0.4391 2.0409 2.0409 2.1796 2.1796 2.8905 2.8905 2.9395 2.9395 3.5568 3.5568 3.7337 3.7337 4.0567 4.0567 4.6550 4.6550 4.6670 4.6670 5.3207 5.3207 5.4935 5.4935 5.8693 5.8693 6.2399 6.2399 6.2661 6.2661 6.5513 6.5513 6.6869 6.6869 7.1084 7.1084 8.0683 8.0683 8.1225 8.1225 8.2784 8.2784 8.5256 8.5256 8.6989 8.6989 k = 0.6811 0.0571-0.2297 ( 5312 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.2258 -13.2258 -12.6425 -12.6425 -12.1478 -12.1478 -11.3933 -11.3933 -10.9563 -10.9563 -10.5525 -10.5525 -4.8355 -4.8355 -4.6408 -4.6408 -4.1812 -4.1812 -3.8291 -3.8291 -3.0408 -3.0408 -2.3040 -2.3040 -2.0841 -2.0841 0.3555 0.3555 2.0037 2.0037 2.1860 2.1860 2.8588 2.8588 2.8940 2.8940 3.5451 3.5451 3.7346 3.7346 4.0407 4.0407 4.6191 4.6191 4.6718 4.6718 5.3423 5.3423 5.5209 5.5209 5.9003 5.9003 6.2413 6.2413 6.2734 6.2734 6.5771 6.5771 6.6517 6.6517 7.1158 7.1158 8.1157 8.1157 8.1517 8.1517 8.3031 8.3031 8.5501 8.5501 8.7200 8.7200 k = 0.6735 0.0640-0.2141 ( 5304 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.2567 -13.2567 -12.6272 -12.6272 -12.1444 -12.1444 -11.3586 -11.3586 -10.9449 -10.9449 -10.5875 -10.5875 -4.8282 -4.8282 -4.6403 -4.6403 -4.1772 -4.1772 -3.7943 -3.7943 -3.0178 -3.0178 -2.3123 -2.3123 -2.0718 -2.0718 0.2739 0.2739 1.9640 1.9640 2.1893 2.1893 2.7915 2.7915 2.8828 2.8828 3.5242 3.5242 3.7343 3.7343 4.0377 4.0377 4.5838 4.5838 4.6763 4.6763 5.3636 5.3636 5.5479 5.5479 5.9277 5.9277 6.2381 6.2381 6.2829 6.2829 6.6028 6.6028 6.6213 6.6213 7.1255 7.1255 8.1620 8.1620 8.1837 8.1837 8.3290 8.3290 8.5734 8.5734 8.7426 8.7426 k = 0.6660 0.0708-0.1985 ( 5302 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.2870 -13.2870 -12.6106 -12.6106 -12.1423 -12.1423 -11.3226 -11.3226 -10.9353 -10.9353 -10.6226 -10.6226 -4.8209 -4.8209 -4.6402 -4.6402 -4.1740 -4.1740 -3.7558 -3.7558 -2.9960 -2.9960 -2.3210 -2.3210 -2.0586 -2.0586 0.1948 0.1948 1.9230 1.9230 2.1883 2.1883 2.7172 2.7172 2.8779 2.8779 3.4953 3.4953 3.7326 3.7326 4.0464 4.0464 4.5528 4.5528 4.6775 4.6775 5.3845 5.3845 5.5743 5.5743 5.9515 5.9515 6.2349 6.2349 6.2889 6.2889 6.5887 6.5887 6.6363 6.6363 7.1372 7.1372 8.2004 8.2004 8.2245 8.2245 8.3559 8.3559 8.5955 8.5955 8.7672 8.7672 k = 0.6584 0.0777-0.1829 ( 5300 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.3165 -13.3165 -12.5929 -12.5929 -12.1412 -12.1412 -11.2856 -11.2856 -10.9282 -10.9282 -10.6567 -10.6567 -4.8134 -4.8134 -4.6403 -4.6403 -4.1714 -4.1714 -3.7138 -3.7138 -2.9756 -2.9756 -2.3300 -2.3300 -2.0447 -2.0447 0.1184 0.1184 1.8813 1.8813 2.1823 2.1823 2.6400 2.6400 2.8757 2.8757 3.4606 3.4606 3.7297 3.7297 4.0644 4.0644 4.5267 4.5267 4.6759 4.6759 5.4050 5.4050 5.5997 5.5997 5.9717 5.9717 6.2329 6.2329 6.2899 6.2899 6.5636 6.5636 6.6683 6.6683 7.1508 7.1508 8.2319 8.2319 8.2714 8.2714 8.3836 8.3836 8.6164 8.6164 8.7944 8.7944 k = 0.6509 0.0845-0.1673 ( 5296 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.3452 -13.3452 -12.5740 -12.5740 -12.1410 -12.1410 -11.2480 -11.2480 -10.9245 -10.9245 -10.6890 -10.6890 -4.8059 -4.8059 -4.6407 -4.6407 -4.1694 -4.1694 -3.6686 -3.6686 -2.9564 -2.9564 -2.3393 -2.3393 -2.0300 -2.0300 0.0452 0.0452 1.8391 1.8391 2.1713 2.1713 2.5608 2.5608 2.8757 2.8757 3.4223 3.4223 3.7255 3.7255 4.0892 4.0892 4.5057 4.5057 4.6717 4.6717 5.4251 5.4251 5.6243 5.6243 5.9885 5.9885 6.2321 6.2321 6.2858 6.2858 6.5414 6.5414 6.7030 6.7030 7.1661 7.1661 8.2618 8.2618 8.3184 8.3184 8.4117 8.4117 8.6362 8.6362 8.8247 8.8247 k = 0.6433 0.0914-0.1517 ( 5292 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.3729 -13.3729 -12.5540 -12.5540 -12.1413 -12.1413 -11.2104 -11.2104 -10.9256 -10.9256 -10.7177 -10.7177 -4.7983 -4.7983 -4.6414 -4.6414 -4.1679 -4.1679 -3.6207 -3.6207 -2.9387 -2.9387 -2.3489 -2.3489 -2.0148 -2.0148 -0.0245 -0.0245 1.7966 1.7966 2.1552 2.1552 2.4808 2.4808 2.8775 2.8775 3.3825 3.3825 3.7202 3.7202 4.1184 4.1184 4.4896 4.4896 4.6654 4.6654 5.4447 5.4447 5.6479 5.6479 6.0023 6.0023 6.2322 6.2322 6.2777 6.2777 6.5216 6.5216 6.7393 6.7393 7.1828 7.1828 8.2911 8.2911 8.3633 8.3633 8.4396 8.4396 8.6547 8.6547 8.8586 8.8586 k = 0.6358 0.0982-0.1361 ( 5298 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.3997 -13.3997 -12.5330 -12.5330 -12.1421 -12.1421 -11.1732 -11.1732 -10.9331 -10.9331 -10.7409 -10.7409 -4.7907 -4.7907 -4.6425 -4.6425 -4.1668 -4.1668 -3.5706 -3.5706 -2.9224 -2.9224 -2.3587 -2.3587 -1.9991 -1.9991 -0.0906 -0.0906 1.7537 1.7537 2.1341 2.1341 2.4007 2.4007 2.8807 2.8807 3.3425 3.3425 3.7140 3.7140 4.1504 4.1504 4.4783 4.4783 4.6572 4.6572 5.4637 5.4637 5.6706 5.6706 6.0135 6.0135 6.2331 6.2331 6.2670 6.2670 6.5037 6.5037 6.7764 6.7764 7.2007 7.2007 8.3201 8.3201 8.4057 8.4057 8.4667 8.4667 8.6721 8.6721 8.8962 8.8962 k = 0.6283 0.1051-0.1205 ( 5300 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.4254 -13.4254 -12.5110 -12.5110 -12.1433 -12.1433 -11.1369 -11.1369 -10.9481 -10.9481 -10.7572 -10.7572 -4.7832 -4.7832 -4.6438 -4.6438 -4.1659 -4.1659 -3.5185 -3.5185 -2.9075 -2.9075 -2.3688 -2.3688 -1.9830 -1.9830 -0.1526 -0.1526 1.7105 1.7105 2.1084 2.1084 2.3217 2.3217 2.8852 2.8852 3.3032 3.3032 3.7072 3.7072 4.1839 4.1839 4.4714 4.4714 4.6476 4.6476 5.4820 5.4820 5.6923 5.6923 6.0228 6.0228 6.2341 6.2341 6.2553 6.2553 6.4867 6.4867 6.8136 6.8136 7.2194 7.2194 8.3487 8.3487 8.4454 8.4454 8.4924 8.4924 8.6883 8.6883 8.9375 8.9375 k = 0.6207 0.1119-0.1049 ( 5296 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.4499 -13.4499 -12.4880 -12.4880 -12.1448 -12.1448 -11.1027 -11.1027 -10.9694 -10.9694 -10.7664 -10.7664 -4.7756 -4.7756 -4.6453 -4.6453 -4.1654 -4.1654 -3.4649 -3.4649 -2.8940 -2.8940 -2.3791 -2.3791 -1.9668 -1.9668 -0.2103 -0.2103 1.6667 1.6667 2.0783 2.0783 2.2450 2.2450 2.8905 2.8905 3.2653 3.2653 3.7000 3.7000 4.2179 4.2179 4.4684 4.4684 4.6368 4.6368 5.4996 5.4996 5.7131 5.7131 6.0304 6.0304 6.2335 6.2335 6.2452 6.2452 6.4700 6.4700 6.8502 6.8502 7.2388 7.2388 8.3768 8.3768 8.4826 8.4826 8.5160 8.5160 8.7033 8.7033 8.9821 8.9821 k = 0.6132 0.1187-0.0893 ( 5298 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.4732 -13.4732 -12.4643 -12.4643 -12.1464 -12.1464 -11.0742 -11.0742 -10.9921 -10.9921 -10.7702 -10.7702 -4.7682 -4.7682 -4.6471 -4.6471 -4.1650 -4.1650 -3.4103 -3.4103 -2.8819 -2.8819 -2.3895 -2.3895 -1.9507 -1.9507 -0.2636 -0.2636 1.6222 1.6222 2.0440 2.0440 2.1719 2.1719 2.8964 2.8964 3.2291 3.2291 3.6928 3.6928 4.2518 4.2518 4.4687 4.4687 4.6253 4.6253 5.5163 5.5163 5.7331 5.7331 6.0369 6.0369 6.2266 6.2266 6.2420 6.2420 6.4533 6.4533 6.8855 6.8855 7.2584 7.2584 8.4043 8.4043 8.5175 8.5175 8.5374 8.5374 8.7172 8.7172 9.0292 9.0292 k = 0.6056 0.1256-0.0737 ( 5298 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.4953 -13.4953 -12.4398 -12.4398 -12.1481 -12.1481 -11.0668 -11.0668 -10.9993 -10.9993 -10.7701 -10.7701 -4.7609 -4.7609 -4.6490 -4.6490 -4.1648 -4.1648 -3.3553 -3.3553 -2.8712 -2.8712 -2.4000 -2.4000 -1.9349 -1.9349 -0.3123 -0.3123 1.5767 1.5767 2.0057 2.0057 2.1039 2.1039 2.9026 2.9026 3.1948 3.1948 3.6858 3.6858 4.2849 4.2849 4.4718 4.4718 4.6133 4.6133 5.5320 5.5320 5.7524 5.7524 6.0426 6.0426 6.2169 6.2169 6.2428 6.2428 6.4363 6.4363 6.9192 6.9192 7.2780 7.2780 8.4311 8.4311 8.5490 8.5490 8.5578 8.5578 8.7300 8.7300 9.0780 9.0780 k = 0.5981 0.1324-0.0581 ( 5296 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.5160 -13.5160 -12.4147 -12.4147 -12.1498 -12.1498 -11.0898 -11.0898 -10.9801 -10.9801 -10.7678 -10.7678 -4.7539 -4.7539 -4.6510 -4.6510 -4.1646 -4.1646 -3.3002 -3.3002 -2.8617 -2.8617 -2.4105 -2.4105 -1.9196 -1.9196 -0.3562 -0.3562 1.5299 1.5299 1.9636 1.9636 2.0425 2.0425 2.9090 2.9090 3.1627 3.1627 3.6792 3.6792 4.3167 4.3167 4.4769 4.4769 4.6011 4.6011 5.5467 5.5467 5.7711 5.7711 6.0476 6.0476 6.2078 6.2078 6.2443 6.2443 6.4189 6.4189 6.9510 6.9510 7.2974 7.2974 8.4571 8.4571 8.5699 8.5699 8.5848 8.5848 8.7417 8.7417 9.1275 9.1275 k = 0.5905 0.1393-0.0425 ( 5296 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.5354 -13.5354 -12.3893 -12.3893 -12.1516 -12.1516 -11.1237 -11.1237 -10.9529 -10.9529 -10.7640 -10.7640 -4.7472 -4.7472 -4.6530 -4.6530 -4.1646 -4.1646 -3.2456 -3.2456 -2.8534 -2.8534 -2.4211 -2.4211 -1.9050 -1.9050 -0.3954 -0.3954 1.4819 1.4819 1.9186 1.9186 1.9884 1.9884 2.9154 2.9154 3.1328 3.1328 3.6731 3.6731 4.3469 4.3469 4.4836 4.4836 4.5890 4.5890 5.5604 5.5604 5.7893 5.7893 6.0520 6.0520 6.1999 6.1999 6.2460 6.2460 6.4011 6.4011 6.9806 6.9806 7.3162 7.3162 8.4820 8.4820 8.5844 8.5844 8.6143 8.6143 8.7522 8.7522 9.1768 9.1768 k = 0.5830 0.1461-0.0269 ( 5280 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.5534 -13.5534 -12.3635 -12.3635 -12.1532 -12.1532 -11.1603 -11.1603 -10.9255 -10.9255 -10.7593 -10.7593 -4.7408 -4.7408 -4.6550 -4.6550 -4.1646 -4.1646 -3.1921 -3.1921 -2.8462 -2.8462 -2.4315 -2.4315 -1.8913 -1.8913 -0.4299 -0.4299 1.4329 1.4329 1.8729 1.8729 1.9406 1.9406 2.9216 2.9216 3.1052 3.1052 3.6677 3.6677 4.3750 4.3750 4.4913 4.4913 4.5774 4.5774 5.5729 5.5729 5.8073 5.8073 6.0560 6.0560 6.1931 6.1931 6.2478 6.2478 6.3832 6.3832 7.0079 7.0079 7.3342 7.3342 8.5058 8.5058 8.5966 8.5966 8.6426 8.6426 8.7618 8.7618 9.2250 9.2250 k = 0.5754 0.1530-0.0113 ( 5282 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.5699 -13.5699 -12.3378 -12.3378 -12.1548 -12.1548 -11.1976 -11.1976 -10.8995 -10.8995 -10.7540 -10.7540 -4.7349 -4.7349 -4.6568 -4.6568 -4.1646 -4.1646 -3.1402 -3.1402 -2.8399 -2.8399 -2.4418 -2.4418 -1.8788 -1.8788 -0.4596 -0.4596 1.3832 1.3832 1.8291 1.8291 1.8974 1.8974 2.9276 2.9276 3.0799 3.0799 3.6630 3.6630 4.4008 4.4008 4.4994 4.4994 4.5665 4.5665 5.5843 5.5843 5.8253 5.8253 6.0594 6.0594 6.1870 6.1870 6.2496 6.2496 6.3654 6.3654 7.0327 7.0327 7.3513 7.3513 8.5282 8.5282 8.6069 8.6069 8.6692 8.6692 8.7703 8.7703 9.2713 9.2713 k = 0.5679 0.1598 0.0043 ( 5280 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.5850 -13.5850 -12.3122 -12.3122 -12.1563 -12.1563 -11.2343 -11.2343 -10.8758 -10.8758 -10.7483 -10.7483 -4.7296 -4.7296 -4.6585 -4.6585 -4.1647 -4.1647 -3.0907 -3.0907 -2.8343 -2.8343 -2.4518 -2.4518 -1.8674 -1.8674 -0.4850 -0.4850 1.3338 1.3338 1.7890 1.7890 1.8578 1.8578 2.9331 2.9331 3.0570 3.0570 3.6589 3.6589 4.4239 4.4239 4.5074 4.5074 4.5570 4.5570 5.5945 5.5945 5.8435 5.8435 6.0622 6.0622 6.1811 6.1811 6.2514 6.2514 6.3482 6.3482 7.0551 7.0551 7.3672 7.3672 8.5491 8.5491 8.6158 8.6158 8.6940 8.6940 8.7779 8.7779 9.3150 9.3150 k = 0.5604 0.1667 0.0199 ( 5290 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.5986 -13.5986 -12.2873 -12.2873 -12.1577 -12.1577 -11.2699 -11.2699 -10.8546 -10.8546 -10.7423 -10.7423 -4.7249 -4.7249 -4.6599 -4.6599 -4.1647 -4.1647 -3.0442 -3.0442 -2.8293 -2.8293 -2.4615 -2.4615 -1.8573 -1.8573 -0.5062 -0.5062 1.2855 1.2855 1.7533 1.7533 1.8215 1.8215 2.9383 2.9383 3.0364 3.0364 3.6556 3.6556 4.4439 4.4439 4.5143 4.5143 4.5498 4.5498 5.6035 5.6035 5.8621 5.8621 6.0643 6.0643 6.1747 6.1747 6.2531 6.2531 6.3324 6.3324 7.0749 7.0749 7.3818 7.3818 8.5683 8.5683 8.6233 8.6233 8.7168 8.7168 8.7846 8.7846 9.3554 9.3554 k = 0.5528 0.1735 0.0355 ( 5284 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6106 -13.6106 -12.2633 -12.2633 -12.1588 -12.1588 -11.3037 -11.3037 -10.8364 -10.8364 -10.7359 -10.7359 -4.7208 -4.7208 -4.6610 -4.6610 -4.1648 -4.1648 -3.0014 -3.0014 -2.8245 -2.8245 -2.4708 -2.4708 -1.8486 -1.8486 -0.5234 -0.5234 1.2395 1.2395 1.7221 1.7221 1.7886 1.7886 2.9429 2.9429 3.0182 3.0182 3.6528 3.6528 4.4605 4.4605 4.5189 4.5189 4.5465 4.5465 5.6115 5.6115 5.8812 5.8812 6.0660 6.0660 6.1670 6.1670 6.2544 6.2544 6.3187 6.3187 7.0924 7.0924 7.3950 7.3950 8.5857 8.5857 8.6297 8.6297 8.7373 8.7373 8.7904 8.7904 9.3922 9.3922 k = 0.5453 0.1804 0.0510 ( 5282 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6211 -13.6211 -12.2407 -12.2407 -12.1597 -12.1597 -11.3351 -11.3351 -10.8212 -10.8212 -10.7294 -10.7294 -4.7175 -4.7175 -4.6617 -4.6617 -4.1648 -4.1648 -2.9632 -2.9632 -2.8197 -2.8197 -2.4796 -2.4796 -1.8412 -1.8412 -0.5372 -0.5372 1.1971 1.1971 1.6953 1.6953 1.7594 1.7594 2.9469 2.9469 3.0025 3.0025 3.6506 3.6506 4.4727 4.4727 4.5207 4.5207 4.5480 4.5480 5.6183 5.6183 5.9009 5.9009 6.0670 6.0670 6.1571 6.1571 6.2553 6.2553 6.3078 6.3078 7.1074 7.1074 7.4067 7.4067 8.6010 8.6010 8.6352 8.6352 8.7555 8.7555 8.7953 8.7953 9.4247 9.4247 k = 0.5377 0.1872 0.0666 ( 5278 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6300 -13.6300 -12.2202 -12.2202 -12.1603 -12.1603 -11.3634 -11.3634 -10.8090 -10.8090 -10.7230 -10.7230 -4.7148 -4.7148 -4.6622 -4.6622 -4.1648 -4.1648 -2.9306 -2.9306 -2.8144 -2.8144 -2.4877 -2.4877 -1.8351 -1.8351 -0.5480 -0.5480 1.1591 1.1591 1.6726 1.6726 1.7344 1.7344 2.9503 2.9503 2.9892 2.9892 3.6489 3.6489 4.4801 4.4801 4.5223 4.5223 4.5524 4.5524 5.6241 5.6241 5.9213 5.9213 6.0675 6.0675 6.1447 6.1447 6.2555 6.2555 6.3004 6.3004 7.1199 7.1199 7.4166 7.4166 8.6141 8.6141 8.6398 8.6398 8.7710 8.7710 8.7995 8.7995 9.4525 9.4525 k = 0.5302 0.1941 0.0822 ( 5274 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6373 -13.6373 -12.2026 -12.2026 -12.1605 -12.1605 -11.3880 -11.3880 -10.7996 -10.7996 -10.7168 -10.7168 -4.7128 -4.7128 -4.6624 -4.6624 -4.1648 -4.1648 -2.9046 -2.9046 -2.8082 -2.8082 -2.4950 -2.4950 -1.8303 -1.8303 -0.5560 -0.5560 1.1266 1.1266 1.6538 1.6538 1.7138 1.7138 2.9531 2.9531 2.9783 2.9783 3.6476 3.6476 4.4827 4.4827 4.5254 4.5254 4.5576 4.5576 5.6288 5.6288 5.9421 5.9421 6.0674 6.0674 6.1300 6.1300 6.2552 6.2552 6.2959 6.2959 7.1302 7.1302 7.4249 7.4249 8.6247 8.6247 8.6438 8.6438 8.7839 8.7839 8.8030 8.8030 9.4749 9.4750 k = 0.5226 0.2009 0.0978 ( 5276 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6430 -13.6430 -12.1886 -12.1886 -12.1598 -12.1598 -11.4081 -11.4081 -10.7928 -10.7928 -10.7115 -10.7115 -4.7114 -4.7114 -4.6624 -4.6624 -4.1648 -4.1648 -2.8856 -2.8856 -2.8012 -2.8012 -2.5011 -2.5011 -1.8266 -1.8266 -0.5618 -0.5618 1.1004 1.1004 1.6389 1.6389 1.6978 1.6978 2.9552 2.9552 2.9700 2.9700 3.6466 3.6466 4.4826 4.4826 4.5293 4.5293 4.5624 4.5624 5.6325 5.6325 5.9630 5.9630 6.0665 6.0665 6.1137 6.1137 6.2546 6.2546 6.2938 6.2938 7.1381 7.1381 7.4314 7.4314 8.6326 8.6326 8.6474 8.6474 8.7938 8.7938 8.8059 8.8059 9.4915 9.4916 k = 0.5151 0.2078 0.1134 ( 5274 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6470 -13.6470 -12.1794 -12.1794 -12.1581 -12.1581 -11.4231 -11.4231 -10.7882 -10.7882 -10.7074 -10.7074 -4.7105 -4.7105 -4.6624 -4.6624 -4.1649 -4.1649 -2.8734 -2.8734 -2.7943 -2.7943 -2.5058 -2.5058 -1.8240 -1.8240 -0.5657 -0.5657 1.0813 1.0813 1.6282 1.6282 1.6864 1.6864 2.9562 2.9562 2.9645 2.9645 3.6460 3.6460 4.4815 4.4815 4.5328 4.5328 4.5660 4.5660 5.6351 5.6351 5.9834 5.9834 6.0642 6.0642 6.0979 6.0979 6.2541 6.2541 6.2929 6.2929 7.1437 7.1437 7.4361 7.4361 8.6378 8.6378 8.6504 8.6504 8.8004 8.8004 8.8085 8.8085 9.5019 9.5020 k = 0.5075 0.2146 0.1290 ( 5278 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6495 -13.6495 -12.1748 -12.1748 -12.1557 -12.1557 -11.4323 -11.4323 -10.7855 -10.7855 -10.7048 -10.7048 -4.7099 -4.7099 -4.6623 -4.6623 -4.1649 -4.1649 -2.8669 -2.8669 -2.7891 -2.7891 -2.5088 -2.5088 -1.8225 -1.8225 -0.5679 -0.5679 1.0696 1.0696 1.6216 1.6216 1.6797 1.6797 2.9560 2.9560 2.9620 2.9620 3.6456 3.6456 4.4805 4.4805 4.5351 4.5351 4.5684 4.5684 5.6366 5.6366 6.0012 6.0012 6.0588 6.0588 6.0866 6.0866 6.2537 6.2537 6.2926 6.2926 7.1470 7.1470 7.4389 7.4389 8.6405 8.6405 8.6526 8.6526 8.8038 8.8038 8.8106 8.8106 9.5069 9.5069 k = 0.5000 0.2214 0.1446 ( 5268 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6503 -13.6503 -12.1736 -12.1736 -12.1546 -12.1546 -11.4355 -11.4355 -10.7847 -10.7847 -10.7039 -10.7039 -4.7098 -4.7098 -4.6623 -4.6623 -4.1648 -4.1648 -2.8649 -2.8649 -2.7872 -2.7872 -2.5099 -2.5099 -1.8220 -1.8220 -0.5686 -0.5686 1.0657 1.0657 1.6194 1.6194 1.6774 1.6774 2.9557 2.9557 2.9615 2.9615 3.6455 3.6455 4.4801 4.4801 4.5359 4.5359 4.5691 4.5691 5.6372 5.6372 6.0097 6.0097 6.0543 6.0543 6.0831 6.0831 6.2537 6.2537 6.2926 6.2926 7.1482 7.1482 7.4398 7.4398 8.6414 8.6414 8.6534 8.6534 8.8048 8.8048 8.8115 8.8115 9.5083 9.5084 k = 0.5000 0.2214 0.1446 ( 5268 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6503 -13.6503 -12.1736 -12.1736 -12.1546 -12.1546 -11.4355 -11.4355 -10.7847 -10.7847 -10.7039 -10.7039 -4.7098 -4.7098 -4.6623 -4.6623 -4.1648 -4.1648 -2.8649 -2.8649 -2.7872 -2.7872 -2.5099 -2.5099 -1.8220 -1.8220 -0.5686 -0.5686 1.0657 1.0657 1.6194 1.6194 1.6774 1.6774 2.9557 2.9557 2.9615 2.9615 3.6455 3.6455 4.4801 4.4801 4.5359 4.5359 4.5691 4.5691 5.6372 5.6372 6.0097 6.0097 6.0543 6.0543 6.0831 6.0831 6.2537 6.2537 6.2926 6.2926 7.1482 7.1482 7.4398 7.4398 8.6414 8.6414 8.6534 8.6534 8.8048 8.8048 8.8115 8.8115 9.5083 9.5084 k = 0.4839 0.2143 0.1400 ( 5274 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6505 -13.6505 -12.1736 -12.1736 -12.1546 -12.1546 -11.4352 -11.4352 -10.7847 -10.7847 -10.7039 -10.7039 -4.7098 -4.7098 -4.6623 -4.6623 -4.1651 -4.1651 -2.8648 -2.8648 -2.7871 -2.7871 -2.5091 -2.5091 -1.8222 -1.8222 -0.5692 -0.5692 1.0659 1.0659 1.6191 1.6191 1.6771 1.6771 2.9549 2.9549 2.9608 2.9608 3.6406 3.6406 4.4822 4.4822 4.5369 4.5369 4.5701 4.5701 5.6371 5.6371 6.0131 6.0131 6.0549 6.0549 6.0836 6.0836 6.2539 6.2539 6.2927 6.2927 7.1482 7.1482 7.4412 7.4412 8.6411 8.6411 8.6531 8.6531 8.8048 8.8048 8.8115 8.8115 9.5084 9.5084 k = 0.4677 0.2072 0.1353 ( 5274 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6510 -13.6510 -12.1736 -12.1736 -12.1546 -12.1546 -11.4342 -11.4342 -10.7847 -10.7847 -10.7039 -10.7039 -4.7099 -4.7099 -4.6625 -4.6625 -4.1658 -4.1658 -2.8645 -2.8645 -2.7869 -2.7869 -2.5069 -2.5069 -1.8229 -1.8229 -0.5709 -0.5709 1.0664 1.0664 1.6181 1.6181 1.6762 1.6762 2.9527 2.9527 2.9585 2.9585 3.6261 3.6261 4.4880 4.4880 4.5400 4.5400 4.5730 4.5730 5.6371 5.6371 6.0235 6.0235 6.0570 6.0570 6.0852 6.0852 6.2548 6.2548 6.2932 6.2932 7.1484 7.1484 7.4453 7.4453 8.6403 8.6403 8.6521 8.6521 8.8048 8.8048 8.8116 8.8116 9.5085 9.5086 k = 0.4516 0.2000 0.1306 ( 5271 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6518 -13.6518 -12.1735 -12.1735 -12.1545 -12.1545 -11.4327 -11.4327 -10.7847 -10.7847 -10.7040 -10.7040 -4.7100 -4.7100 -4.6629 -4.6629 -4.1669 -4.1669 -2.8641 -2.8641 -2.7866 -2.7866 -2.5032 -2.5032 -1.8240 -1.8240 -0.5737 -0.5737 1.0674 1.0674 1.6165 1.6165 1.6746 1.6746 2.9491 2.9491 2.9549 2.9549 3.6029 3.6029 4.4969 4.4969 4.5451 4.5451 4.5777 4.5777 5.6370 5.6370 6.0407 6.0407 6.0605 6.0605 6.0878 6.0878 6.2562 6.2562 6.2940 6.2940 7.1487 7.1487 7.4521 7.4521 8.6389 8.6389 8.6506 8.6506 8.8049 8.8049 8.8118 8.8118 9.5088 9.5089 k = 0.4355 0.1929 0.1260 ( 5274 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3543 -34.3543 -13.6529 -13.6529 -12.1734 -12.1734 -12.1545 -12.1545 -11.4306 -11.4306 -10.7848 -10.7848 -10.7041 -10.7041 -4.7102 -4.7102 -4.6633 -4.6633 -4.1684 -4.1684 -2.8635 -2.8635 -2.7862 -2.7862 -2.4980 -2.4980 -1.8255 -1.8255 -0.5777 -0.5777 1.0686 1.0686 1.6143 1.6143 1.6724 1.6724 2.9441 2.9441 2.9498 2.9498 3.5721 3.5721 4.5077 4.5077 4.5521 4.5521 4.5843 4.5843 5.6369 5.6369 6.0645 6.0645 6.0653 6.0653 6.0914 6.0914 6.2583 6.2583 6.2951 6.2951 7.1491 7.1491 7.4615 7.4615 8.6370 8.6370 8.6486 8.6486 8.8049 8.8049 8.8120 8.8120 9.5092 9.5095 k = 0.4194 0.1857 0.1213 ( 5262 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6544 -13.6544 -12.1734 -12.1734 -12.1544 -12.1544 -11.4280 -11.4280 -10.7849 -10.7849 -10.7041 -10.7041 -4.7104 -4.7104 -4.6638 -4.6638 -4.1703 -4.1703 -2.8628 -2.8628 -2.7857 -2.7857 -2.4914 -2.4914 -1.8275 -1.8275 -0.5826 -0.5826 1.0702 1.0702 1.6115 1.6115 1.6697 1.6697 2.9379 2.9379 2.9435 2.9435 3.5351 3.5351 4.5197 4.5197 4.5609 4.5609 4.5925 4.5925 5.6368 5.6368 6.0714 6.0714 6.0937 6.0937 6.0971 6.0971 6.2610 6.2610 6.2965 6.2965 7.1497 7.1497 7.4733 7.4733 8.6345 8.6345 8.6459 8.6459 8.8050 8.8050 8.8123 8.8123 9.5097 9.5097 k = 0.4032 0.1786 0.1166 ( 5274 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6561 -13.6561 -12.1733 -12.1733 -12.1543 -12.1543 -11.4248 -11.4248 -10.7850 -10.7850 -10.7043 -10.7043 -4.7107 -4.7107 -4.6645 -4.6645 -4.1727 -4.1727 -2.8619 -2.8619 -2.7850 -2.7850 -2.4835 -2.4835 -1.8299 -1.8299 -0.5886 -0.5886 1.0721 1.0721 1.6082 1.6082 1.6663 1.6663 2.9304 2.9304 2.9359 2.9359 3.4931 3.4931 4.5317 4.5317 4.5714 4.5714 4.6024 4.6024 5.6365 5.6365 6.0786 6.0786 6.1008 6.1008 6.1318 6.1318 6.2645 6.2645 6.2984 6.2984 7.1503 7.1503 7.4872 7.4872 8.6316 8.6316 8.6427 8.6427 8.8050 8.8050 8.8126 8.8126 9.5104 9.5117 k = 0.3871 0.1714 0.1120 ( 5268 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6581 -13.6581 -12.1731 -12.1731 -12.1542 -12.1542 -11.4211 -11.4211 -10.7851 -10.7851 -10.7044 -10.7044 -4.7110 -4.7110 -4.6653 -4.6653 -4.1753 -4.1753 -2.8609 -2.8609 -2.7842 -2.7842 -2.4743 -2.4743 -1.8327 -1.8327 -0.5954 -0.5954 1.0741 1.0741 1.6043 1.6043 1.6625 1.6625 2.9220 2.9220 2.9272 2.9272 3.4474 3.4474 4.5432 4.5432 4.5834 4.5834 4.6137 4.6137 5.6362 5.6362 6.0868 6.0868 6.1066 6.1066 6.1744 6.1744 6.2688 6.2688 6.3006 6.3006 7.1510 7.1510 7.5031 7.5031 8.6282 8.6282 8.6391 8.6391 8.8050 8.8050 8.8129 8.8129 9.5109 9.5110 k = 0.3710 0.1643 0.1073 ( 5286 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6603 -13.6603 -12.1730 -12.1730 -12.1540 -12.1540 -11.4170 -11.4170 -10.7852 -10.7852 -10.7045 -10.7045 -4.7114 -4.7114 -4.6662 -4.6662 -4.1783 -4.1783 -2.8597 -2.8597 -2.7833 -2.7833 -2.4638 -2.4638 -1.8360 -1.8360 -0.6031 -0.6031 1.0763 1.0763 1.5999 1.5999 1.6581 1.6581 2.9126 2.9126 2.9176 2.9176 3.3991 3.3991 4.5534 4.5534 4.5965 4.5965 4.6263 4.6263 5.6359 5.6359 6.0959 6.0959 6.1127 6.1127 6.2222 6.2222 6.2741 6.2741 6.3033 6.3033 7.1518 7.1518 7.5207 7.5207 8.6244 8.6244 8.6350 8.6350 8.8050 8.8050 8.8131 8.8131 9.5118 9.5122 k = 0.3548 0.1572 0.1026 ( 5289 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6628 -13.6628 -12.1729 -12.1729 -12.1539 -12.1539 -11.4124 -11.4124 -10.7853 -10.7853 -10.7047 -10.7047 -4.7118 -4.7118 -4.6672 -4.6672 -4.1816 -4.1816 -2.8585 -2.8585 -2.7823 -2.7823 -2.4521 -2.4521 -1.8398 -1.8398 -0.6115 -0.6115 1.0787 1.0787 1.5951 1.5951 1.6534 1.6534 2.9024 2.9024 2.9072 2.9072 3.3490 3.3490 4.5622 4.5622 4.6108 4.6108 4.6400 4.6400 5.6355 5.6355 6.1056 6.1056 6.1191 6.1191 6.2713 6.2713 6.2842 6.2842 6.3065 6.3065 7.1527 7.1527 7.5398 7.5398 8.6202 8.6202 8.6305 8.6305 8.8049 8.8049 8.8134 8.8134 9.5125 9.5131 k = 0.3387 0.1500 0.0980 ( 5289 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6654 -13.6654 -12.1727 -12.1727 -12.1537 -12.1537 -11.4075 -11.4075 -10.7855 -10.7855 -10.7049 -10.7049 -4.7122 -4.7122 -4.6682 -4.6682 -4.1851 -4.1851 -2.8571 -2.8571 -2.7812 -2.7812 -2.4393 -2.4393 -1.8440 -1.8440 -0.6205 -0.6205 1.0812 1.0812 1.5899 1.5899 1.6482 1.6482 2.8917 2.8917 2.8960 2.8960 3.2980 3.2980 4.5693 4.5693 4.6260 4.6260 4.6546 4.6546 5.6350 5.6350 6.1159 6.1159 6.1255 6.1255 6.2854 6.2854 6.3103 6.3103 6.3347 6.3347 7.1537 7.1537 7.5599 7.5599 8.6157 8.6157 8.6256 8.6256 8.8048 8.8048 8.8136 8.8136 9.5135 9.5136 k = 0.3226 0.1429 0.0933 ( 5289 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6682 -13.6682 -12.1725 -12.1725 -12.1535 -12.1535 -11.4023 -11.4023 -10.7856 -10.7856 -10.7051 -10.7051 -4.7127 -4.7127 -4.6694 -4.6694 -4.1888 -4.1888 -2.8556 -2.8556 -2.7801 -2.7801 -2.4254 -2.4254 -1.8487 -1.8487 -0.6300 -0.6300 1.0836 1.0836 1.5843 1.5843 1.6427 1.6427 2.8804 2.8804 2.8843 2.8843 3.2467 3.2467 4.5748 4.5748 4.6420 4.6420 4.6701 4.6701 5.6345 5.6345 6.1265 6.1265 6.1319 6.1319 6.2937 6.2937 6.3147 6.3147 6.3958 6.3958 7.1547 7.1547 7.5808 7.5808 8.6109 8.6109 8.6205 8.6205 8.8046 8.8046 8.8137 8.8137 9.5145 9.5148 k = 0.3065 0.1357 0.0886 ( 5292 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6712 -13.6712 -12.1724 -12.1724 -12.1534 -12.1534 -11.3968 -11.3968 -10.7858 -10.7858 -10.7053 -10.7053 -4.7132 -4.7132 -4.6706 -4.6706 -4.1927 -4.1927 -2.8540 -2.8540 -2.7788 -2.7788 -2.4106 -2.4106 -1.8539 -1.8539 -0.6400 -0.6400 1.0861 1.0861 1.5784 1.5784 1.6369 1.6369 2.8689 2.8689 2.8720 2.8720 3.1958 3.1958 4.5786 4.5786 4.6585 4.6585 4.6861 4.6861 5.6339 5.6339 6.1372 6.1372 6.1380 6.1380 6.3026 6.3026 6.3197 6.3197 6.4605 6.4605 7.1557 7.1557 7.6021 7.6021 8.6059 8.6059 8.6152 8.6152 8.8044 8.8044 8.8138 8.8138 9.5155 9.5156 k = 0.2903 0.1286 0.0840 ( 5280 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6742 -13.6742 -12.1722 -12.1722 -12.1532 -12.1532 -11.3911 -11.3911 -10.7860 -10.7860 -10.7055 -10.7055 -4.7137 -4.7137 -4.6719 -4.6719 -4.1966 -4.1966 -2.8524 -2.8524 -2.7775 -2.7775 -2.3950 -2.3950 -1.8595 -1.8595 -0.6503 -0.6503 1.0885 1.0885 1.5724 1.5724 1.6309 1.6309 2.8571 2.8571 2.8593 2.8593 3.1458 3.1458 4.5809 4.5809 4.6755 4.6755 4.7025 4.7025 5.6333 5.6333 6.1439 6.1439 6.1479 6.1479 6.3125 6.3125 6.3256 6.3256 6.5280 6.5280 7.1569 7.1569 7.6236 7.6236 8.6007 8.6007 8.6096 8.6096 8.8041 8.8041 8.8138 8.8138 9.5167 9.5170 k = 0.2742 0.1214 0.0793 ( 5286 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6773 -13.6773 -12.1720 -12.1720 -12.1530 -12.1530 -11.3853 -11.3853 -10.7861 -10.7861 -10.7057 -10.7057 -4.7142 -4.7142 -4.6732 -4.6732 -4.2007 -4.2007 -2.8507 -2.8507 -2.7761 -2.7761 -2.3785 -2.3785 -1.8657 -1.8657 -0.6608 -0.6608 1.0908 1.0908 1.5661 1.5661 1.6247 1.6247 2.8453 2.8453 2.8461 2.8461 3.0971 3.0971 4.5819 4.5819 4.6927 4.6927 4.7192 4.7192 5.6327 5.6327 6.1493 6.1493 6.1582 6.1582 6.3232 6.3232 6.3321 6.3321 6.5975 6.5975 7.1580 7.1580 7.6448 7.6448 8.5954 8.5954 8.6040 8.6040 8.8037 8.8037 8.8137 8.8137 9.5177 9.5191 k = 0.2581 0.1143 0.0747 ( 5289 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6805 -13.6805 -12.1718 -12.1718 -12.1528 -12.1528 -11.3794 -11.3794 -10.7863 -10.7863 -10.7059 -10.7059 -4.7147 -4.7147 -4.6745 -4.6745 -4.2048 -4.2048 -2.8490 -2.8490 -2.7747 -2.7747 -2.3614 -2.3614 -1.8723 -1.8723 -0.6715 -0.6715 1.0930 1.0930 1.5597 1.5597 1.6184 1.6184 2.8325 2.8325 2.8335 2.8335 3.0503 3.0503 4.5817 4.5817 4.7100 4.7100 4.7360 4.7360 5.6320 5.6320 6.1542 6.1542 6.1680 6.1680 6.3346 6.3346 6.3395 6.3395 6.6684 6.6684 7.1591 7.1591 7.6653 7.6653 8.5900 8.5900 8.5982 8.5982 8.8032 8.8032 8.8136 8.8136 9.5189 9.5205 k = 0.2419 0.1072 0.0700 ( 5292 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6836 -13.6836 -12.1716 -12.1716 -12.1526 -12.1526 -11.3735 -11.3735 -10.7865 -10.7865 -10.7061 -10.7061 -4.7153 -4.7153 -4.6759 -4.6759 -4.2089 -4.2089 -2.8473 -2.8473 -2.7732 -2.7732 -2.3437 -2.3437 -1.8795 -1.8795 -0.6821 -0.6821 1.0950 1.0950 1.5533 1.5533 1.6120 1.6120 2.8185 2.8185 2.8219 2.8219 3.0059 3.0059 4.5807 4.5807 4.7272 4.7272 4.7526 4.7526 5.6314 5.6314 6.1587 6.1587 6.1772 6.1772 6.3465 6.3465 6.3476 6.3476 6.7401 6.7401 7.1603 7.1603 7.6850 7.6850 8.5846 8.5846 8.5924 8.5924 8.8027 8.8027 8.8134 8.8134 9.5201 9.5207 k = 0.2258 0.1000 0.0653 ( 5298 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6867 -13.6867 -12.1714 -12.1714 -12.1524 -12.1524 -11.3676 -11.3676 -10.7866 -10.7866 -10.7063 -10.7063 -4.7158 -4.7158 -4.6773 -4.6773 -4.2129 -4.2129 -2.8456 -2.8456 -2.7718 -2.7718 -2.3255 -2.3255 -1.8872 -1.8872 -0.6926 -0.6926 1.0969 1.0969 1.5469 1.5469 1.6056 1.6056 2.8037 2.8037 2.8106 2.8106 2.9644 2.9644 4.5789 4.5789 4.7441 4.7441 4.7690 4.7690 5.6307 5.6307 6.1628 6.1628 6.1856 6.1856 6.3564 6.3564 6.3589 6.3589 6.8121 6.8121 7.1615 7.1615 7.7034 7.7034 8.5791 8.5791 8.5867 8.5867 8.8021 8.8021 8.8131 8.8131 9.5213 9.5219 k = 0.2097 0.0929 0.0607 ( 5304 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3543 -34.3543 -13.6898 -13.6898 -12.1712 -12.1712 -12.1522 -12.1522 -11.3618 -11.3618 -10.7868 -10.7868 -10.7065 -10.7065 -4.7163 -4.7163 -4.6786 -4.6786 -4.2168 -4.2168 -2.8439 -2.8439 -2.7704 -2.7704 -2.3069 -2.3069 -1.8955 -1.8955 -0.7030 -0.7030 1.0986 1.0986 1.5406 1.5406 1.5994 1.5994 2.7878 2.7878 2.7998 2.7998 2.9265 2.9265 4.5767 4.5767 4.7605 4.7605 4.7850 4.7850 5.6300 5.6300 6.1664 6.1664 6.1932 6.1932 6.3658 6.3658 6.3715 6.3715 6.8838 6.8838 7.1627 7.1627 7.7201 7.7201 8.5738 8.5738 8.5811 8.5811 8.8015 8.8015 8.8127 8.8127 9.5225 9.5227 k = 0.1935 0.0857 0.0560 ( 5304 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6927 -13.6927 -12.1711 -12.1711 -12.1520 -12.1520 -11.3562 -11.3562 -10.7870 -10.7870 -10.7067 -10.7067 -4.7168 -4.7168 -4.6800 -4.6800 -4.2206 -4.2206 -2.8422 -2.8422 -2.7690 -2.7690 -2.2879 -2.2879 -1.9043 -1.9043 -0.7130 -0.7130 1.1002 1.1002 1.5344 1.5344 1.5933 1.5933 2.7705 2.7705 2.7893 2.7893 2.8930 2.8930 4.5741 4.5741 4.7764 4.7764 4.8004 4.8004 5.6294 5.6294 6.1697 6.1697 6.2000 6.2000 6.3756 6.3756 6.3840 6.3840 6.9545 6.9545 7.1639 7.1639 7.7350 7.7350 8.5686 8.5686 8.5756 8.5756 8.8008 8.8008 8.8123 8.8123 9.5238 9.5247 k = 0.1774 0.0786 0.0513 ( 5298 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6956 -13.6956 -12.1709 -12.1709 -12.1518 -12.1518 -11.3508 -11.3508 -10.7871 -10.7871 -10.7069 -10.7069 -4.7173 -4.7173 -4.6812 -4.6812 -4.2242 -4.2242 -2.8406 -2.8406 -2.7676 -2.7676 -2.2688 -2.2688 -1.9136 -1.9136 -0.7226 -0.7226 1.1016 1.1016 1.5285 1.5285 1.5874 1.5874 2.7514 2.7514 2.7795 2.7795 2.8645 2.8645 4.5713 4.5713 4.7916 4.7916 4.8151 4.8151 5.6287 5.6287 6.1726 6.1726 6.2061 6.2061 6.3856 6.3856 6.3964 6.3964 7.0238 7.0238 7.1653 7.1653 7.7477 7.7477 8.5635 8.5635 8.5703 8.5703 8.8001 8.8001 8.8119 8.8119 9.5249 9.5258 k = 0.1613 0.0714 0.0467 ( 5298 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6983 -13.6983 -12.1707 -12.1707 -12.1517 -12.1517 -11.3457 -11.3457 -10.7873 -10.7873 -10.7071 -10.7071 -4.7178 -4.7178 -4.6825 -4.6825 -4.2276 -4.2276 -2.8391 -2.8391 -2.7663 -2.7663 -2.2496 -2.2496 -1.9235 -1.9235 -0.7318 -0.7318 1.1028 1.1028 1.5229 1.5229 1.5818 1.5818 2.7305 2.7305 2.7703 2.7703 2.8411 2.8411 4.5684 4.5684 4.8059 4.8059 4.8290 4.8290 5.6281 5.6281 6.1752 6.1752 6.2113 6.2113 6.3957 6.3957 6.4084 6.4084 7.0906 7.0906 7.1674 7.1674 7.7579 7.7579 8.5588 8.5588 8.5652 8.5652 8.7994 8.7994 8.8114 8.8114 9.5259 9.5268 k = 0.1452 0.0643 0.0420 ( 5292 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.7008 -13.7008 -12.1705 -12.1705 -12.1515 -12.1515 -11.3408 -11.3408 -10.7874 -10.7874 -10.7073 -10.7073 -4.7182 -4.7182 -4.6836 -4.6836 -4.2308 -4.2308 -2.8377 -2.8377 -2.7650 -2.7650 -2.2303 -2.2303 -1.9339 -1.9339 -0.7404 -0.7404 1.1039 1.1039 1.5176 1.5176 1.5766 1.5766 2.7086 2.7086 2.7618 2.7618 2.8224 2.8224 4.5656 4.5656 4.8193 4.8193 4.8420 4.8420 5.6275 5.6275 6.1775 6.1775 6.2159 6.2159 6.4055 6.4055 6.4199 6.4199 7.1486 7.1486 7.1759 7.1759 7.7654 7.7654 8.5542 8.5542 8.5605 8.5605 8.7987 8.7987 8.8109 8.8109 9.5271 9.5276 k = 0.1290 0.0571 0.0373 ( 5283 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.7031 -13.7031 -12.1704 -12.1704 -12.1513 -12.1513 -11.3364 -11.3364 -10.7875 -10.7875 -10.7074 -10.7074 -4.7186 -4.7186 -4.6847 -4.6847 -4.2337 -4.2337 -2.8364 -2.8364 -2.7639 -2.7639 -2.2111 -2.2111 -1.9449 -1.9449 -0.7483 -0.7483 1.1048 1.1048 1.5127 1.5127 1.5717 1.5717 2.6865 2.6865 2.7541 2.7541 2.8075 2.8075 4.5629 4.5629 4.8316 4.8316 4.8539 4.8539 5.6270 5.6270 6.1795 6.1795 6.2199 6.2199 6.4149 6.4149 6.4306 6.4306 7.1637 7.1637 7.2243 7.2243 7.7699 7.7699 8.5501 8.5501 8.5561 8.5561 8.7980 8.7980 8.8105 8.8105 9.5280 9.5284 k = 0.1129 0.0500 0.0327 ( 5295 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.7052 -13.7052 -12.1703 -12.1703 -12.1512 -12.1512 -11.3324 -11.3324 -10.7877 -10.7877 -10.7076 -10.7076 -4.7190 -4.7190 -4.6857 -4.6857 -4.2363 -4.2363 -2.8352 -2.8352 -2.7628 -2.7628 -2.1922 -2.1922 -1.9564 -1.9564 -0.7554 -0.7554 1.1056 1.1056 1.5082 1.5082 1.5673 1.5673 2.6654 2.6654 2.7471 2.7471 2.7957 2.7957 4.5604 4.5604 4.8426 4.8426 4.8646 4.8646 5.6265 5.6265 6.1812 6.1812 6.2232 6.2232 6.4237 6.4237 6.4404 6.4404 7.1660 7.1660 7.2822 7.2822 7.7714 7.7714 8.5463 8.5463 8.5521 8.5521 8.7974 8.7974 8.8100 8.8100 9.5289 9.5292 k = 0.0968 0.0429 0.0280 ( 5304 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.7071 -13.7071 -12.1702 -12.1702 -12.1511 -12.1511 -11.3288 -11.3288 -10.7878 -10.7878 -10.7077 -10.7077 -4.7193 -4.7193 -4.6866 -4.6866 -4.2387 -4.2387 -2.8341 -2.8341 -2.7619 -2.7619 -2.1735 -2.1735 -1.9684 -1.9684 -0.7618 -0.7618 1.1063 1.1063 1.5043 1.5043 1.5633 1.5633 2.6460 2.6460 2.7410 2.7410 2.7862 2.7862 4.5581 4.5581 4.8523 4.8523 4.8740 4.8740 5.6261 5.6261 6.1827 6.1827 6.2260 6.2260 6.4316 6.4316 6.4492 6.4492 7.1671 7.1671 7.3374 7.3374 7.7698 7.7698 8.5429 8.5429 8.5485 8.5485 8.7968 8.7968 8.8096 8.8096 9.5297 9.5311 k = 0.0806 0.0357 0.0233 ( 5316 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.7087 -13.7087 -12.1701 -12.1701 -12.1510 -12.1510 -11.3257 -11.3257 -10.7879 -10.7879 -10.7079 -10.7079 -4.7196 -4.7196 -4.6874 -4.6874 -4.2407 -4.2407 -2.8332 -2.8332 -2.7611 -2.7611 -2.1553 -2.1553 -1.9808 -1.9808 -0.7674 -0.7674 1.1067 1.1067 1.5008 1.5008 1.5599 1.5599 2.6289 2.6289 2.7358 2.7358 2.7786 2.7786 4.5561 4.5561 4.8607 4.8607 4.8822 4.8822 5.6256 5.6256 6.1839 6.1839 6.2283 6.2283 6.4387 6.4387 6.4569 6.4569 7.1679 7.1679 7.3885 7.3885 7.7653 7.7653 8.5399 8.5399 8.5454 8.5454 8.7962 8.7962 8.8092 8.8092 9.5304 9.5309 k = 0.0645 0.0286 0.0187 ( 5322 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.7100 -13.7100 -12.1700 -12.1700 -12.1509 -12.1509 -11.3231 -11.3231 -10.7879 -10.7879 -10.7079 -10.7079 -4.7198 -4.7198 -4.6881 -4.6881 -4.2424 -4.2424 -2.8324 -2.8324 -2.7604 -2.7604 -2.1378 -2.1378 -1.9935 -1.9935 -0.7720 -0.7720 1.1072 1.1072 1.4979 1.4979 1.5570 1.5570 2.6146 2.6146 2.7315 2.7315 2.7727 2.7727 4.5544 4.5544 4.8677 4.8677 4.8890 4.8890 5.6253 5.6253 6.1848 6.1848 6.2301 6.2301 6.4446 6.4446 6.4634 6.4634 7.1684 7.1684 7.4343 7.4343 7.7581 7.7581 8.5375 8.5375 8.5429 8.5429 8.7958 8.7958 8.8088 8.8088 9.5310 9.5315 k = 0.0484 0.0214 0.0140 ( 5340 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3543 -34.3543 -13.7111 -13.7111 -12.1699 -12.1699 -12.1509 -12.1509 -11.3211 -11.3211 -10.7880 -10.7880 -10.7080 -10.7080 -4.7200 -4.7200 -4.6886 -4.6886 -4.2437 -4.2437 -2.8318 -2.8318 -2.7599 -2.7599 -2.1214 -2.1214 -2.0062 -2.0062 -0.7756 -0.7756 1.1075 1.1075 1.4956 1.4956 1.5547 1.5547 2.6031 2.6031 2.7281 2.7281 2.7682 2.7682 4.5531 4.5531 4.8731 4.8731 4.8943 4.8943 5.6250 5.6250 6.1856 6.1856 6.2315 6.2315 6.4493 6.4493 6.4684 6.4684 7.1688 7.1688 7.4739 7.4739 7.7490 7.7490 8.5355 8.5355 8.5408 8.5408 8.7954 8.7954 8.8085 8.8085 9.5313 9.5317 k = 0.0323 0.0143 0.0093 ( 5335 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3543 -34.3543 -13.7118 -13.7118 -12.1699 -12.1699 -12.1508 -12.1508 -11.3197 -11.3197 -10.7880 -10.7880 -10.7081 -10.7081 -4.7202 -4.7202 -4.6890 -4.6890 -4.2446 -4.2446 -2.8314 -2.8314 -2.7595 -2.7595 -2.1066 -2.1066 -2.0182 -2.0182 -0.7782 -0.7782 1.1077 1.1077 1.4940 1.4940 1.5531 1.5531 2.5949 2.5949 2.7257 2.7257 2.7651 2.7651 4.5521 4.5521 4.8771 4.8771 4.8981 4.8981 5.6249 5.6249 6.1862 6.1862 6.2325 6.2325 6.4528 6.4528 6.4722 6.4722 7.1691 7.1691 7.5055 7.5055 7.7395 7.7395 8.5341 8.5341 8.5394 8.5394 8.7951 8.7951 8.8083 8.8083 9.5318 9.5321 k = 0.0161 0.0071 0.0047 ( 5335 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3543 -34.3543 -13.7123 -13.7123 -12.1698 -12.1698 -12.1508 -12.1508 -11.3188 -11.3188 -10.7881 -10.7881 -10.7081 -10.7081 -4.7202 -4.7202 -4.6892 -4.6892 -4.2452 -4.2452 -2.8311 -2.8311 -2.7593 -2.7593 -2.0953 -2.0953 -2.0279 -2.0279 -0.7798 -0.7798 1.1079 1.1079 1.4930 1.4930 1.5521 1.5521 2.5899 2.5899 2.7242 2.7242 2.7632 2.7632 4.5516 4.5516 4.8794 4.8794 4.9004 4.9004 5.6247 5.6247 6.1865 6.1865 6.2331 6.2331 6.4549 6.4549 6.4744 6.4744 7.1693 7.1693 7.5265 7.5265 7.7318 7.7318 8.5333 8.5333 8.5385 8.5385 8.7949 8.7949 8.8082 8.8082 9.5319 9.5319 k = 0.0000 0.0000 0.0000 ( 5335 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3543 -34.3543 -13.7124 -13.7124 -12.1698 -12.1698 -12.1508 -12.1508 -11.3185 -11.3185 -10.7881 -10.7881 -10.7081 -10.7081 -4.7203 -4.7203 -4.6892 -4.6892 -4.2454 -4.2454 -2.8310 -2.8310 -2.7592 -2.7592 -2.0906 -2.0906 -2.0320 -2.0320 -0.7803 -0.7803 1.1079 1.1079 1.4927 1.4927 1.5518 1.5518 2.5882 2.5882 2.7237 2.7237 2.7626 2.7626 4.5514 4.5514 4.8802 4.8802 4.9012 4.9012 5.6247 5.6247 6.1866 6.1866 6.2333 6.2333 6.4556 6.4556 6.4751 6.4751 7.1694 7.1694 7.5340 7.5340 7.7288 7.7288 8.5330 8.5330 8.5382 8.5382 8.7949 8.7949 8.8081 8.8081 9.5319 9.5319 k = 0.0000 0.0000 0.0000 ( 5335 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3543 -34.3543 -13.7124 -13.7124 -12.1698 -12.1698 -12.1508 -12.1508 -11.3185 -11.3185 -10.7881 -10.7881 -10.7081 -10.7081 -4.7203 -4.7203 -4.6892 -4.6892 -4.2454 -4.2454 -2.8310 -2.8310 -2.7592 -2.7592 -2.0906 -2.0906 -2.0320 -2.0320 -0.7803 -0.7803 1.1079 1.1079 1.4927 1.4927 1.5518 1.5518 2.5882 2.5882 2.7237 2.7237 2.7626 2.7626 4.5514 4.5514 4.8802 4.8802 4.9012 4.9012 5.6247 5.6247 6.1866 6.1866 6.2333 6.2333 6.4556 6.4556 6.4751 6.4751 7.1694 7.1694 7.5340 7.5340 7.7288 7.7288 8.5330 8.5330 8.5382 8.5382 8.7949 8.7949 8.8081 8.8081 9.5319 9.5319 k = 0.0076-0.0069-0.0157 ( 5325 PWs) bands (ev): -67.7230 -67.7230 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.7116 -13.7116 -12.1709 -12.1709 -12.1517 -12.1517 -11.3158 -11.3158 -10.7889 -10.7889 -10.7090 -10.7090 -4.7204 -4.7204 -4.6892 -4.6892 -4.2453 -4.2453 -2.8329 -2.8329 -2.7610 -2.7610 -2.0909 -2.0909 -2.0317 -2.0317 -0.7793 -0.7793 1.1113 1.1113 1.4942 1.4942 1.5532 1.5532 2.5901 2.5901 2.7249 2.7249 2.7638 2.7638 4.5513 4.5513 4.8798 4.8798 4.9008 4.9008 5.6241 5.6241 6.1841 6.1841 6.2307 6.2307 6.4566 6.4566 6.4762 6.4762 7.1682 7.1682 7.5337 7.5337 7.7284 7.7284 8.5326 8.5326 8.5378 8.5378 8.7935 8.7935 8.8069 8.8069 9.5305 9.5305 k = 0.0152-0.0138-0.0314 ( 5313 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.7091 -13.7091 -12.1746 -12.1746 -12.1538 -12.1538 -11.3077 -11.3077 -10.7916 -10.7916 -10.7117 -10.7117 -4.7208 -4.7208 -4.6891 -4.6891 -4.2450 -4.2450 -2.8387 -2.8387 -2.7660 -2.7660 -2.0917 -2.0917 -2.0307 -2.0307 -0.7764 -0.7764 1.1216 1.1216 1.4984 1.4984 1.5573 1.5573 2.5956 2.5956 2.7280 2.7280 2.7679 2.7679 4.5512 4.5512 4.8784 4.8784 4.8995 4.8995 5.6224 5.6224 6.1768 6.1768 6.2230 6.2230 6.4593 6.4593 6.4795 6.4795 7.1646 7.1646 7.5327 7.5327 7.7274 7.7274 8.5314 8.5314 8.5367 8.5367 8.7886 8.7886 8.8042 8.8042 9.5257 9.5258 k = 0.0228-0.0207-0.0471 ( 5301 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.7048 -13.7048 -12.1822 -12.1822 -12.1556 -12.1556 -11.2946 -11.2946 -10.7963 -10.7963 -10.7159 -10.7159 -4.7216 -4.7216 -4.6888 -4.6888 -4.2446 -4.2446 -2.8498 -2.8498 -2.7727 -2.7727 -2.0930 -2.0930 -2.0293 -2.0293 -0.7713 -0.7713 1.1383 1.1383 1.5053 1.5053 1.5644 1.5644 2.6045 2.6045 2.7319 2.7319 2.7762 2.7762 4.5510 4.5510 4.8762 4.8762 4.8973 4.8973 5.6193 5.6193 6.1649 6.1649 6.2111 6.2111 6.4630 6.4630 6.4848 6.4848 7.1586 7.1586 7.5310 7.5310 7.7258 7.7258 8.5290 8.5290 8.5351 8.5351 8.7788 8.7788 8.8015 8.8015 9.5163 9.5165 k = 0.0304-0.0275-0.0628 ( 5309 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6990 -13.6990 -12.1940 -12.1940 -12.1564 -12.1564 -11.2769 -11.2769 -10.8033 -10.8033 -10.7213 -10.7213 -4.7229 -4.7229 -4.6883 -4.6883 -4.2440 -4.2440 -2.8673 -2.8673 -2.7797 -2.7797 -2.0948 -2.0948 -2.0275 -2.0275 -0.7640 -0.7640 1.1611 1.1611 1.5149 1.5149 1.5745 1.5745 2.6167 2.6167 2.7354 2.7354 2.7896 2.7896 4.5507 4.5507 4.8731 4.8731 4.8944 4.8944 5.6148 5.6148 6.1491 6.1491 6.1956 6.1956 6.4669 6.4669 6.4916 6.4916 7.1500 7.1500 7.5288 7.5288 7.7234 7.7234 8.5254 8.5254 8.5332 8.5332 8.7639 8.7639 8.7988 8.7988 9.5007 9.5007 k = 0.0379-0.0344-0.0784 ( 5311 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6914 -13.6914 -12.2092 -12.2092 -12.1564 -12.1564 -11.2551 -11.2551 -10.8129 -10.8129 -10.7274 -10.7274 -4.7247 -4.7247 -4.6874 -4.6874 -4.2432 -4.2432 -2.8917 -2.8917 -2.7860 -2.7860 -2.0973 -2.0973 -2.0255 -2.0255 -0.7541 -0.7541 1.1893 1.1893 1.5267 1.5267 1.5882 1.5882 2.6315 2.6315 2.7388 2.7388 2.8087 2.8087 4.5501 4.5501 4.8693 4.8693 4.8907 4.8907 5.6085 5.6085 6.1302 6.1302 6.1774 6.1774 6.4706 6.4706 6.4994 6.4994 7.1389 7.1389 7.5259 7.5259 7.7203 7.7203 8.5205 8.5205 8.5308 8.5308 8.7446 8.7446 8.7957 8.7957 9.4793 9.4796 k = 0.0455-0.0413-0.0941 ( 5315 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6822 -13.6822 -12.2273 -12.2273 -12.1559 -12.1559 -11.2298 -11.2298 -10.8255 -10.8255 -10.7338 -10.7338 -4.7271 -4.7271 -4.6862 -4.6862 -4.2422 -4.2422 -2.9227 -2.9227 -2.7916 -2.7916 -2.1005 -2.1005 -2.0235 -2.0235 -0.7413 -0.7413 1.2221 1.2221 1.5405 1.5405 1.6061 1.6061 2.6479 2.6479 2.7429 2.7429 2.8330 2.8330 4.5492 4.5492 4.8648 4.8648 4.8865 4.8865 5.6003 5.6003 6.1091 6.1091 6.1569 6.1569 6.4738 6.4738 6.5075 6.5075 7.1252 7.1252 7.5226 7.5226 7.7166 7.7166 8.5146 8.5146 8.5277 8.5277 8.7215 8.7215 8.7920 8.7920 9.4527 9.4528 k = 0.0531-0.0482-0.1098 ( 5321 PWs) bands (ev): -67.7230 -67.7230 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.6714 -13.6714 -12.2474 -12.2474 -12.1551 -12.1551 -11.2017 -11.2017 -10.8411 -10.8411 -10.7400 -10.7400 -4.7302 -4.7302 -4.6847 -4.6847 -4.2410 -4.2410 -2.9593 -2.9593 -2.7969 -2.7969 -2.1043 -2.1043 -2.0215 -2.0215 -0.7255 -0.7255 1.2586 1.2586 1.5557 1.5557 1.6290 1.6290 2.6641 2.6641 2.7495 2.7495 2.8623 2.8623 4.5479 4.5479 4.8597 4.8597 4.8817 4.8817 5.5898 5.5898 6.0869 6.0869 6.1346 6.1346 6.4765 6.4765 6.5153 6.5153 7.1089 7.1089 7.5189 7.5189 7.7120 7.7120 8.5078 8.5078 8.5234 8.5234 8.6953 8.6953 8.7873 8.7873 9.4214 9.4214 k = 0.0607-0.0551-0.1255 ( 5317 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6589 -13.6589 -12.2690 -12.2690 -12.1540 -12.1540 -11.1713 -11.1713 -10.8598 -10.8598 -10.7460 -10.7460 -4.7338 -4.7338 -4.6827 -4.6827 -4.2397 -4.2397 -3.0005 -3.0005 -2.8024 -2.8024 -2.1088 -2.1088 -2.0198 -2.0198 -0.7062 -0.7062 1.2977 1.2977 1.5719 1.5719 1.6577 1.6577 2.6777 2.6777 2.7613 2.7613 2.8961 2.8961 4.5462 4.5462 4.8542 4.8542 4.8765 4.8765 5.5767 5.5767 6.0643 6.0643 6.1107 6.1107 6.4784 6.4784 6.5225 6.5225 7.0899 7.0899 7.5148 7.5148 7.7067 7.7067 8.5002 8.5002 8.5175 8.5175 8.6667 8.6667 8.7815 8.7815 9.3859 9.3859 k = 0.0683-0.0620-0.1412 ( 5317 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.6449 -13.6449 -12.2918 -12.2918 -12.1528 -12.1528 -11.1393 -11.1393 -10.8813 -10.8813 -10.7515 -10.7515 -4.7381 -4.7381 -4.6805 -4.6805 -4.2383 -4.2383 -3.0456 -3.0456 -2.8083 -2.8083 -2.1141 -2.1141 -2.0185 -2.0185 -0.6831 -0.6831 1.3384 1.3384 1.5888 1.5888 1.6927 1.6927 2.6864 2.6864 2.7801 2.7801 2.9340 2.9340 4.5439 4.5439 4.8484 4.8484 4.8711 4.8711 5.5606 5.5606 6.0421 6.0421 6.0856 6.0856 6.4794 6.4794 6.5287 6.5287 7.0683 7.0683 7.5104 7.5104 7.7005 7.7005 8.4918 8.4918 8.5090 8.5090 8.6370 8.6370 8.7744 8.7744 9.3468 9.3468 k = 0.0759-0.0689-0.1569 ( 5317 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.6293 -13.6293 -12.3153 -12.3153 -12.1515 -12.1515 -11.1067 -11.1067 -10.9051 -10.9051 -10.7563 -10.7563 -4.7429 -4.7429 -4.6780 -4.6780 -4.2367 -4.2367 -3.0936 -3.0936 -2.8152 -2.8152 -2.1201 -2.1201 -2.0175 -2.0175 -0.6560 -0.6560 1.3797 1.3797 1.6063 1.6063 1.7346 1.7346 2.6904 2.6904 2.8055 2.8055 2.9758 2.9758 4.5410 4.5410 4.8424 4.8424 4.8656 4.8656 5.5412 5.5412 6.0210 6.0210 6.0598 6.0598 6.4793 6.4793 6.5338 6.5338 7.0439 7.0439 7.5060 7.5060 7.6935 7.6935 8.4827 8.4827 8.4963 8.4963 8.6079 8.6079 8.7658 8.7658 9.3045 9.3045 k = 0.0835-0.0758-0.1726 ( 5317 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.6121 -13.6121 -12.3392 -12.3392 -12.1500 -12.1500 -11.0748 -11.0748 -10.9304 -10.9304 -10.7604 -10.7604 -4.7481 -4.7481 -4.6753 -4.6753 -4.2349 -4.2349 -3.1440 -3.1440 -2.8230 -2.8230 -2.1267 -2.1267 -2.0169 -2.0169 -0.6247 -0.6247 1.4208 1.4208 1.6243 1.6243 1.7833 1.7833 2.6912 2.6912 2.8357 2.8357 3.0212 3.0212 4.5375 4.5375 4.8365 4.8365 4.8599 4.8599 5.5184 5.5184 6.0008 6.0008 6.0341 6.0341 6.4779 6.4779 6.5376 6.5376 7.0169 7.0169 7.5014 7.5014 7.6856 7.6856 8.4725 8.4725 8.4777 8.4777 8.5820 8.5820 8.7554 8.7554 9.2598 9.2598 k = 0.0911-0.0826-0.1883 ( 5309 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.5935 -13.5935 -12.3632 -12.3632 -12.1485 -12.1485 -11.0468 -11.0468 -10.9543 -10.9543 -10.7632 -10.7632 -4.7538 -4.7538 -4.6725 -4.6725 -4.2331 -4.2331 -3.1960 -3.1960 -2.8321 -2.8321 -2.1339 -2.1339 -2.0169 -2.0169 -0.5889 -0.5889 1.4614 1.4614 1.6429 1.6429 1.8386 1.8386 2.6899 2.6899 2.8691 2.8691 3.0699 3.0699 4.5333 4.5333 4.8307 4.8307 4.8544 4.8544 5.4922 5.4922 5.9807 5.9807 6.0101 6.0101 6.4750 6.4750 6.5400 6.5400 6.9874 6.9874 7.4970 7.4970 7.6767 7.6767 8.4499 8.4499 8.4628 8.4628 8.5611 8.5611 8.7431 8.7431 9.2133 9.2133 k = 0.0986-0.0895-0.2040 ( 5319 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.5734 -13.5734 -12.3871 -12.3871 -12.1470 -12.1470 -11.0339 -11.0339 -10.9666 -10.9666 -10.7642 -10.7642 -4.7598 -4.7598 -4.6697 -4.6697 -4.2312 -4.2312 -3.2492 -3.2492 -2.8427 -2.8427 -2.1416 -2.1416 -2.0173 -2.0173 -0.5487 -0.5487 1.5013 1.5013 1.6620 1.6620 1.8998 1.8998 2.6873 2.6873 2.9044 2.9044 3.1213 3.1213 4.5287 4.5287 4.8253 4.8253 4.8488 4.8488 5.4627 5.4627 5.9583 5.9583 5.9905 5.9905 6.4705 6.4705 6.5410 6.5410 6.9555 6.9555 7.4928 7.4928 7.6668 7.6668 8.4158 8.4158 8.4512 8.4512 8.5449 8.5449 8.7285 8.7285 9.1657 9.1657 k = 0.1062-0.0964-0.2196 ( 5321 PWs) bands (ev): -67.7230 -67.7230 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.5519 -13.5519 -12.4108 -12.4108 -12.1455 -12.1455 -11.0492 -11.0492 -10.9553 -10.9553 -10.7621 -10.7621 -4.7661 -4.7661 -4.6669 -4.6669 -4.2292 -4.2292 -3.3028 -3.3028 -2.8547 -2.8547 -2.1497 -2.1497 -2.0183 -2.0183 -0.5040 -0.5040 1.5405 1.5405 1.6817 1.6817 1.9663 1.9663 2.6838 2.6838 2.9408 2.9408 3.1752 3.1752 4.5238 4.5238 4.8204 4.8204 4.8435 4.8435 5.4303 5.4303 5.9327 5.9327 5.9765 5.9765 6.4639 6.4639 6.5405 6.5405 6.9216 6.9216 7.4888 7.4888 7.6558 7.6558 8.3763 8.3763 8.4389 8.4389 8.5317 8.5317 8.7113 8.7113 9.1179 9.1180 k = 0.1138-0.1033-0.2353 ( 5323 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.5290 -13.5290 -12.4339 -12.4339 -12.1441 -12.1441 -11.0788 -11.0788 -10.9360 -10.9360 -10.7553 -10.7553 -4.7726 -4.7726 -4.6642 -4.6642 -4.2272 -4.2272 -3.3565 -3.3565 -2.8683 -2.8683 -2.1579 -2.1579 -2.0198 -2.0198 -0.4548 -0.4548 1.5792 1.5792 1.7021 1.7021 2.0372 2.0372 2.6798 2.6798 2.9774 2.9774 3.2310 3.2310 4.5189 4.5189 4.8158 4.8158 4.8386 4.8386 5.3955 5.3955 5.9053 5.9053 5.9668 5.9668 6.4551 6.4551 6.5385 6.5385 6.8861 6.8861 7.4851 7.4851 7.6437 7.6437 8.3334 8.3334 8.4256 8.4256 8.5199 8.5199 8.6914 8.6914 9.0709 9.0709 k = 0.1214-0.1102-0.2510 ( 5327 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.5047 -13.5047 -12.4565 -12.4565 -12.1429 -12.1429 -11.1131 -11.1131 -10.9199 -10.9199 -10.7421 -10.7421 -4.7793 -4.7793 -4.6616 -4.6616 -4.2253 -4.2253 -3.4096 -3.4096 -2.8836 -2.8836 -2.1662 -2.1662 -2.0217 -2.0217 -0.4013 -0.4013 1.6174 1.6174 1.7232 1.7232 2.1116 2.1116 2.6753 2.6753 3.0136 3.0136 3.2883 3.2883 4.5143 4.5143 4.8111 4.8111 4.8346 4.8346 5.3587 5.3587 5.8773 5.8773 5.9601 5.9601 6.4434 6.4434 6.5350 6.5350 6.8494 6.8494 7.4820 7.4820 7.6305 7.6305 8.2886 8.2886 8.4110 8.4110 8.5084 8.5084 8.6683 8.6683 9.0254 9.0254 k = 0.1290-0.1171-0.2667 ( 5325 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.4793 -13.4793 -12.4784 -12.4784 -12.1418 -12.1418 -11.1496 -11.1496 -10.9102 -10.9102 -10.7220 -10.7220 -4.7861 -4.7861 -4.6592 -4.6592 -4.2234 -4.2234 -3.4619 -3.4619 -2.9006 -2.9006 -2.1745 -2.1745 -2.0242 -2.0242 -0.3435 -0.3435 1.6552 1.6552 1.7452 1.7452 2.1887 2.1887 2.6706 2.6706 3.0488 3.0488 3.3464 3.3464 4.5106 4.5106 4.8053 4.8053 4.8327 4.8327 5.3205 5.3205 5.8495 5.8495 5.9555 5.9555 6.4286 6.4286 6.5301 6.5301 6.8123 6.8123 7.4793 7.4793 7.6161 7.6161 8.2427 8.2427 8.3949 8.3949 8.4967 8.4967 8.6420 8.6420 8.9825 8.9825 k = 0.1366-0.1240-0.2824 ( 5325 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.4526 -13.4526 -12.4994 -12.4994 -12.1412 -12.1412 -11.1871 -11.1871 -10.9070 -10.9070 -10.6958 -10.6958 -4.7929 -4.7929 -4.6571 -4.6571 -4.2216 -4.2216 -3.5127 -3.5127 -2.9192 -2.9192 -2.1825 -2.1825 -2.0270 -2.0270 -0.2816 -0.2816 1.6923 1.6923 1.7684 1.7684 2.2677 2.2677 2.6658 2.6658 3.0823 3.0823 3.4047 3.4047 4.5083 4.5083 4.7974 4.7974 4.8338 4.8338 5.2814 5.2814 5.8222 5.8222 5.9524 5.9524 6.4099 6.4099 6.5239 6.5239 6.7754 6.7754 7.4773 7.4773 7.6006 7.6006 8.1965 8.1965 8.3771 8.3771 8.4844 8.4844 8.6127 8.6127 8.9428 8.9428 k = 0.1442-0.1308-0.2981 ( 5331 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.4247 -13.4247 -12.5195 -12.5195 -12.1409 -12.1409 -11.2253 -11.2253 -10.9087 -10.9087 -10.6653 -10.6653 -4.7998 -4.7998 -4.6552 -4.6552 -4.2200 -4.2200 -3.5618 -3.5618 -2.9395 -2.9395 -2.1902 -2.1902 -2.0304 -2.0304 -0.2160 -0.2160 1.7282 1.7282 1.7933 1.7933 2.3479 2.3479 2.6612 2.6612 3.1138 3.1138 3.4623 3.4623 4.5080 4.5080 4.7869 4.7869 4.8384 4.8384 5.2417 5.2417 5.7957 5.7957 5.9503 5.9503 6.3870 6.3870 6.5166 6.5166 6.7395 6.7395 7.4759 7.4759 7.5838 7.5838 8.1504 8.1504 8.3571 8.3571 8.4712 8.4712 8.5810 8.5810 8.9066 8.9066 k = 0.1518-0.1377-0.3138 ( 5327 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.3958 -13.3958 -12.5387 -12.5387 -12.1413 -12.1413 -11.2637 -11.2637 -10.9141 -10.9141 -10.6323 -10.6323 -4.8067 -4.8067 -4.6536 -4.6536 -4.2187 -4.2187 -3.6088 -3.6088 -2.9613 -2.9613 -2.1974 -2.1974 -2.0341 -2.0341 -0.1469 -0.1469 1.7619 1.7619 1.8207 1.8207 2.4283 2.4283 2.6571 2.6571 3.1429 3.1429 3.5185 3.5185 4.5106 4.5106 4.7736 4.7736 4.8465 4.8465 5.2020 5.2020 5.7701 5.7701 5.9487 5.9487 6.3597 6.3597 6.5084 6.5084 6.7054 6.7054 7.4752 7.4752 7.5659 7.5659 8.1049 8.1049 8.3346 8.3346 8.4568 8.4568 8.5481 8.5481 8.8739 8.8739 k = 0.1594-0.1446-0.3295 ( 5323 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.3660 -13.3660 -12.5568 -12.5568 -12.1424 -12.1424 -11.3017 -11.3017 -10.9220 -10.9220 -10.5981 -10.5981 -4.8135 -4.8135 -4.6523 -4.6523 -4.2176 -4.2176 -3.6531 -3.6531 -2.9846 -2.9846 -2.2041 -2.2041 -2.0382 -2.0382 -0.0745 -0.0745 1.7922 1.7922 1.8515 1.8515 2.5077 2.5077 2.6546 2.6546 3.1693 3.1693 3.5723 3.5723 4.5168 4.5168 4.7575 4.7575 4.8580 4.8580 5.1623 5.1623 5.7455 5.7455 5.9469 5.9469 6.3279 6.3279 6.4996 6.4996 6.6733 6.6733 7.4752 7.4752 7.5469 7.5469 8.0603 8.0603 8.3090 8.3090 8.4411 8.4411 8.5155 8.5155 8.8446 8.8446 k = 0.1669-0.1515-0.3452 ( 5329 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.3352 -13.3352 -12.5738 -12.5738 -12.1444 -12.1444 -11.3391 -11.3391 -10.9319 -10.9319 -10.5634 -10.5634 -4.8203 -4.8203 -4.6514 -4.6514 -4.2169 -4.2169 -3.6947 -3.6947 -3.0093 -3.0093 -2.2103 -2.2103 -2.0426 -2.0426 0.0008 0.0008 1.8189 1.8189 1.8859 1.8859 2.5813 2.5813 2.6579 2.6579 3.1929 3.1929 3.6230 3.6230 4.5272 4.5272 4.7384 4.7384 4.8727 4.8727 5.1231 5.1231 5.7216 5.7216 5.9443 5.9443 6.2925 6.2925 6.4907 6.4907 6.6433 6.6433 7.4761 7.4761 7.5270 7.5270 8.0169 8.0169 8.2802 8.2802 8.4237 8.4237 8.4847 8.4847 8.8180 8.8180 k = 0.1745-0.1584-0.3608 ( 5323 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.3036 -13.3036 -12.5897 -12.5897 -12.1477 -12.1477 -11.3754 -11.3754 -10.9434 -10.9434 -10.5288 -10.5288 -4.8270 -4.8270 -4.6507 -4.6507 -4.2166 -4.2166 -3.7330 -3.7330 -3.0352 -3.0352 -2.2158 -2.2158 -2.0474 -2.0474 0.0786 0.0786 1.8423 1.8423 1.9228 1.9228 2.6242 2.6242 2.6919 2.6919 3.2139 3.2139 3.6698 3.6698 4.5425 4.5425 4.7161 4.7161 4.8906 4.8906 5.0847 5.0847 5.6980 5.6980 5.9403 5.9403 6.2544 6.2544 6.4821 6.4821 6.6152 6.6152 7.4776 7.4776 7.5065 7.5065 7.9749 7.9749 8.2482 8.2482 8.4047 8.4047 8.4569 8.4569 8.7936 8.7936 k = 0.1821-0.1653-0.3765 ( 5325 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.2712 -13.2712 -12.6043 -12.6043 -12.1523 -12.1523 -11.4100 -11.4100 -10.9561 -10.9561 -10.4949 -10.4949 -4.8336 -4.8336 -4.6504 -4.6504 -4.2168 -4.2168 -3.7680 -3.7680 -3.0624 -3.0624 -2.2207 -2.2207 -2.0525 -2.0525 0.1587 0.1587 1.8630 1.8630 1.9613 1.9613 2.6320 2.6320 2.7607 2.7607 3.2323 3.2323 3.7122 3.7122 4.5628 4.5628 4.6907 4.6907 4.9109 4.9109 5.0474 5.0474 5.6741 5.6741 5.9342 5.9342 6.2152 6.2152 6.4744 6.4744 6.5885 6.5885 7.4787 7.4787 7.4866 7.4866 7.9345 7.9345 8.2136 8.2136 8.3844 8.3844 8.4322 8.4322 8.7709 8.7710 k = 0.1897-0.1722-0.3922 ( 5323 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.2383 -13.2383 -12.6178 -12.6178 -12.1587 -12.1587 -11.4426 -11.4426 -10.9699 -10.9699 -10.4620 -10.4620 -4.8400 -4.8400 -4.6503 -4.6503 -4.2175 -4.2175 -3.7992 -3.7992 -3.0906 -3.0906 -2.2250 -2.2250 -2.0579 -2.0579 0.2407 0.2407 1.8812 1.8812 2.0005 2.0005 2.6346 2.6346 2.8344 2.8344 3.2486 3.2486 3.7502 3.7502 4.5868 4.5868 4.6633 4.6633 4.9313 4.9313 5.0134 5.0134 5.6490 5.6490 5.9255 5.9255 6.1769 6.1769 6.4681 6.4681 6.5626 6.5626 7.4627 7.4627 7.4843 7.4843 7.8956 7.8956 8.1776 8.1776 8.3636 8.3636 8.4100 8.4100 8.7496 8.7496 k = 0.1973-0.1790-0.4079 ( 5317 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.2048 -13.2048 -12.6300 -12.6300 -12.1672 -12.1672 -11.4726 -11.4726 -10.9847 -10.9847 -10.4302 -10.4302 -4.8462 -4.8462 -4.6505 -4.6505 -4.2187 -4.2187 -3.8265 -3.8265 -3.1198 -3.1198 -2.2286 -2.2286 -2.0634 -2.0634 0.3242 0.3242 1.8966 1.8966 2.0398 2.0398 2.6383 2.6383 2.9068 2.9068 3.2631 3.2631 3.7840 3.7840 4.6037 4.6037 4.6445 4.6445 4.9405 4.9405 4.9935 4.9935 5.6219 5.6219 5.9136 5.9136 6.1415 6.1415 6.4638 6.4638 6.5368 6.5368 7.4417 7.4417 7.4879 7.4879 7.8584 7.8584 8.1413 8.1413 8.3431 8.3431 8.3894 8.3894 8.7292 8.7292 k = 0.2049-0.1859-0.4236 ( 5319 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.1710 -13.1710 -12.6409 -12.6409 -12.1779 -12.1779 -11.4996 -11.4996 -11.0004 -11.0004 -10.3998 -10.3998 -4.8522 -4.8522 -4.6509 -4.6509 -4.2206 -4.2206 -3.8499 -3.8499 -3.1498 -3.1498 -2.2315 -2.2315 -2.0693 -2.0693 0.4089 0.4089 1.9090 1.9090 2.0786 2.0786 2.6445 2.6445 2.9763 2.9763 3.2764 3.2764 3.8144 3.8144 4.5814 4.5814 4.6654 4.6654 4.9191 4.9191 5.0066 5.0066 5.5919 5.5919 5.8981 5.8981 6.1108 6.1108 6.4615 6.4615 6.5108 6.5108 7.4210 7.4210 7.4921 7.4921 7.8227 7.8227 8.1062 8.1062 8.3232 8.3232 8.3697 8.3697 8.7095 8.7095 k = 0.2125-0.1928-0.4393 ( 5325 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.1369 -13.1369 -12.6505 -12.6505 -12.1913 -12.1913 -11.5230 -11.5230 -11.0170 -11.0170 -10.3710 -10.3710 -4.8580 -4.8580 -4.6516 -4.6516 -4.2230 -4.2230 -3.8692 -3.8692 -3.1807 -3.1807 -2.2338 -2.2338 -2.0753 -2.0753 0.4943 0.4943 1.9179 1.9179 2.1166 2.1166 2.6544 2.6544 3.0417 3.0417 3.2890 3.2890 3.8423 3.8423 4.5433 4.5433 4.7012 4.7012 4.8857 4.8857 5.0336 5.0336 5.5590 5.5590 5.8786 5.8786 6.0862 6.0862 6.4605 6.4605 6.4849 6.4849 7.4013 7.4013 7.4966 7.4966 7.7884 7.7884 8.0734 8.0734 8.3041 8.3041 8.3507 8.3507 8.6902 8.6902 k = 0.2201-0.1997-0.4550 ( 5321 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.1026 -13.1026 -12.6588 -12.6588 -12.2074 -12.2074 -11.5426 -11.5426 -11.0344 -11.0344 -10.3438 -10.3438 -4.8634 -4.8634 -4.6524 -4.6524 -4.2258 -4.2258 -3.8843 -3.8843 -3.2123 -3.2123 -2.2355 -2.2355 -2.0815 -2.0815 0.5801 0.5801 1.9231 1.9231 2.1533 2.1533 2.6687 2.6687 3.1024 3.1024 3.3014 3.3014 3.8689 3.8689 4.5002 4.5002 4.7393 4.7393 4.8503 4.8503 5.0640 5.0640 5.5235 5.5235 5.8553 5.8553 6.0687 6.0687 6.4501 6.4501 6.4695 6.4695 7.3833 7.3833 7.5010 7.5010 7.7556 7.7556 8.0442 8.0442 8.2857 8.2857 8.3325 8.3325 8.6712 8.6712 k = 0.2277-0.2066-0.4707 ( 5331 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0684 -13.0684 -12.6658 -12.6658 -12.2265 -12.2265 -11.5581 -11.5581 -11.0526 -11.0526 -10.3185 -10.3185 -4.8685 -4.8685 -4.6534 -4.6534 -4.2290 -4.2290 -3.8954 -3.8954 -3.2446 -3.2446 -2.2367 -2.2367 -2.0878 -2.0878 0.6660 0.6660 1.9243 1.9243 2.1882 2.1882 2.6878 2.6878 3.1576 3.1576 3.3142 3.3142 3.8954 3.8954 4.4534 4.4534 4.7743 4.7743 4.8166 4.8166 5.0956 5.0956 5.4871 5.4871 5.8284 5.8284 6.0583 6.0583 6.4225 6.4225 6.4715 6.4715 7.3674 7.3674 7.5048 7.5048 7.7240 7.7240 8.0194 8.0194 8.2678 8.2678 8.3154 8.3154 8.6524 8.6524 k = 0.2352-0.2135-0.4864 ( 5325 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -13.0342 -13.0342 -12.6714 -12.6714 -12.2484 -12.2484 -11.5693 -11.5693 -11.0716 -11.0716 -10.2951 -10.2951 -4.8731 -4.8731 -4.6545 -4.6545 -4.2323 -4.2323 -3.9026 -3.9026 -3.2775 -3.2775 -2.2372 -2.2372 -2.0943 -2.0943 0.7515 0.7515 1.9217 1.9217 2.2208 2.2208 2.7122 2.7122 3.2068 3.2068 3.3279 3.3279 3.9229 3.9229 4.4036 4.4036 4.7701 4.7701 4.8182 4.8182 5.1275 5.1275 5.4521 5.4521 5.7983 5.7983 6.0547 6.0547 6.3916 6.3916 6.4764 6.4764 7.3544 7.3544 7.5077 7.5077 7.6936 7.6936 7.9998 7.9998 8.2499 8.2499 8.3002 8.3002 8.6337 8.6338 k = 0.2428-0.2204-0.5020 ( 5319 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -13.0004 -13.0004 -12.6756 -12.6756 -12.2730 -12.2730 -11.5762 -11.5762 -11.0913 -11.0913 -10.2737 -10.2737 -4.8772 -4.8772 -4.6558 -4.6558 -4.2357 -4.2357 -3.9059 -3.9059 -3.3111 -3.3111 -2.2372 -2.2372 -2.1008 -2.1008 0.8362 0.8362 1.9155 1.9155 2.2506 2.2506 2.7417 2.7417 3.2497 3.2497 3.3430 3.3430 3.9517 3.9517 4.3511 4.3511 4.7347 4.7347 4.8443 4.8443 5.1589 5.1589 5.4217 5.4217 5.7657 5.7657 6.0567 6.0567 6.3590 6.3590 6.4816 6.4816 7.3447 7.3447 7.5089 7.5089 7.6645 7.6645 7.9861 7.9861 8.2314 8.2314 8.2875 8.2875 8.6152 8.6152 k = 0.2504-0.2273-0.5177 ( 5311 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -12.9669 -12.9669 -12.6785 -12.6785 -12.3001 -12.3001 -11.5789 -11.5789 -11.1117 -11.1117 -10.2544 -10.2544 -4.8808 -4.8808 -4.6573 -4.6573 -4.2389 -4.2389 -3.9055 -3.9055 -3.3451 -3.3451 -2.2366 -2.2366 -2.1075 -2.1075 0.9198 0.9198 1.9062 1.9062 2.2770 2.2770 2.7763 2.7763 3.2864 3.2864 3.3598 3.3598 3.9819 3.9819 4.2968 4.2968 4.6968 4.6968 4.8632 4.8632 5.1893 5.1893 5.3993 5.3993 5.7312 5.7312 6.0632 6.0632 6.3255 6.3255 6.4860 6.4860 7.3388 7.3388 7.5083 7.5083 7.6367 7.6367 7.9783 7.9783 8.2120 8.2120 8.2784 8.2784 8.5969 8.5969 k = 0.2580-0.2341-0.5334 ( 5323 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.9340 -12.9340 -12.6800 -12.6800 -12.3293 -12.3293 -11.5776 -11.5776 -11.1329 -11.1329 -10.2371 -10.2371 -4.8839 -4.8839 -4.6589 -4.6589 -4.2419 -4.2419 -3.9016 -3.9016 -3.3798 -3.3798 -2.2356 -2.2356 -2.1142 -2.1142 1.0018 1.0018 1.8944 1.8944 2.2994 2.2994 2.8155 2.8155 3.3176 3.3176 3.3783 3.3783 4.0124 4.0124 4.2417 4.2417 4.6580 4.6580 4.8711 4.8711 5.2180 5.2180 5.3878 5.3878 5.6958 5.6958 6.0726 6.0726 6.2919 6.2919 6.4884 6.4884 7.3370 7.3370 7.5056 7.5056 7.6105 7.6105 7.9763 7.9763 8.1915 8.1915 8.2733 8.2733 8.5789 8.5789 k = 0.2656-0.2410-0.5491 ( 5325 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.9018 -12.9018 -12.6801 -12.6801 -12.3604 -12.3604 -11.5725 -11.5725 -11.1547 -11.1547 -10.2218 -10.2218 -4.8863 -4.8863 -4.6607 -4.6607 -4.2445 -4.2445 -3.8942 -3.8942 -3.4150 -3.4150 -2.2341 -2.2341 -2.1209 -2.1209 1.0816 1.0816 1.8813 1.8813 2.3172 2.3172 2.8589 2.8589 3.3444 3.3444 3.3981 3.3981 4.0398 4.0398 4.1892 4.1892 4.6187 4.6187 4.8676 4.8676 5.2448 5.2448 5.3881 5.3881 5.6601 5.6601 6.0827 6.0827 6.2602 6.2602 6.4879 6.4879 7.3388 7.3388 7.5009 7.5009 7.5866 7.5866 7.9794 7.9794 8.1702 8.1702 8.2725 8.2725 8.5616 8.5616 k = 0.2732-0.2479-0.5648 ( 5321 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.8704 -12.8704 -12.6788 -12.6788 -12.3929 -12.3929 -11.5639 -11.5639 -11.1772 -11.1772 -10.2087 -10.2087 -4.8882 -4.8882 -4.6626 -4.6626 -4.2466 -4.2466 -3.8835 -3.8835 -3.4507 -3.4507 -2.2322 -2.2322 -2.1276 -2.1276 1.1588 1.1588 1.8677 1.8677 2.3298 2.3298 2.9057 2.9057 3.3683 3.3683 3.4185 3.4185 4.0518 4.0518 4.1512 4.1512 4.5792 4.5792 4.8546 4.8546 5.2695 5.2695 5.3984 5.3984 5.6251 5.6251 6.0894 6.0894 6.2340 6.2340 6.4838 6.4838 7.3435 7.3435 7.4943 7.4943 7.5660 7.5660 7.9864 7.9864 8.1482 8.1482 8.2765 8.2765 8.5452 8.5452 k = 0.2808-0.2548-0.5805 ( 5321 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.8399 -12.8399 -12.6762 -12.6762 -12.4264 -12.4264 -11.5521 -11.5521 -11.2004 -11.2004 -10.1975 -10.1975 -4.8895 -4.8895 -4.6646 -4.6646 -4.2483 -4.2483 -3.8694 -3.8694 -3.4868 -3.4868 -2.2300 -2.2300 -2.1342 -2.1342 1.2324 1.2324 1.8549 1.8549 2.3367 2.3367 2.9551 2.9551 3.3902 3.3902 3.4391 3.4391 4.0256 4.0256 4.1500 4.1500 4.5397 4.5397 4.8356 4.8356 5.2921 5.2921 5.4155 5.4155 5.5917 5.5917 6.0863 6.0863 6.2198 6.2198 6.4756 6.4756 7.3489 7.3489 7.4861 7.4861 7.5508 7.5508 7.9960 7.9960 8.1258 8.1258 8.2851 8.2851 8.5307 8.5307 k = 0.2884-0.2617-0.5962 ( 5323 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.8105 -12.8105 -12.6723 -12.6723 -12.4607 -12.4607 -11.5374 -11.5374 -11.2241 -11.2241 -10.1884 -10.1884 -4.8904 -4.8904 -4.6666 -4.6666 -4.2495 -4.2495 -3.8521 -3.8521 -3.5234 -3.5234 -2.2275 -2.2275 -2.1407 -2.1407 1.3015 1.3015 1.8445 1.8445 2.3374 2.3374 3.0065 3.0065 3.4102 3.4102 3.4599 3.4599 3.9764 3.9764 4.1701 4.1701 4.5008 4.5008 4.8146 4.8146 5.3124 5.3124 5.4352 5.4352 5.5613 5.5613 6.0695 6.0695 6.2218 6.2218 6.4630 6.4630 7.3517 7.3517 7.4769 7.4769 7.5438 7.5438 8.0068 8.0068 8.1033 8.1033 8.2978 8.2978 8.5193 8.5193 k = 0.2959-0.2686-0.6119 ( 5317 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.7822 -12.7822 -12.6669 -12.6669 -12.4954 -12.4954 -11.5200 -11.5200 -11.2484 -11.2484 -10.1811 -10.1811 -4.8909 -4.8909 -4.6685 -4.6685 -4.2504 -4.2504 -3.8316 -3.8316 -3.5602 -3.5602 -2.2249 -2.2249 -2.1470 -2.1470 1.3646 1.3646 1.8385 1.8385 2.3314 2.3314 3.0588 3.0588 3.4277 3.4277 3.4808 3.4808 3.9233 3.9233 4.1921 4.1921 4.4634 4.4634 4.7952 4.7952 5.3296 5.3296 5.4534 5.4534 5.5363 5.5363 6.0432 6.0432 6.2363 6.2363 6.4461 6.4461 7.3484 7.3484 7.4670 7.4670 7.5478 7.5478 8.0172 8.0172 8.0810 8.0810 8.3130 8.3130 8.5130 8.5130 k = 0.3035-0.2755-0.6276 ( 5317 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.7552 -12.7552 -12.6602 -12.6602 -12.5302 -12.5302 -11.5003 -11.5003 -11.2732 -11.2732 -10.1757 -10.1757 -4.8913 -4.8913 -4.6702 -4.6702 -4.2510 -4.2510 -3.8080 -3.8080 -3.5971 -3.5971 -2.2223 -2.2223 -2.1529 -2.1529 1.4197 1.4197 1.8391 1.8391 2.3186 2.3186 3.1111 3.1111 3.4411 3.4411 3.5020 3.5020 3.8728 3.8728 4.2102 4.2102 4.4284 4.4284 4.7802 4.7802 5.3426 5.3426 5.4637 5.4637 5.5220 5.5220 6.0135 6.0135 6.2578 6.2578 6.4250 6.4250 7.3375 7.3375 7.4567 7.4567 7.5634 7.5634 8.0263 8.0263 8.0593 8.0593 8.3277 8.3277 8.5151 8.5151 k = 0.3111-0.2823-0.6432 ( 5319 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.7295 -12.7295 -12.6522 -12.6522 -12.5649 -12.5649 -11.4788 -11.4788 -11.2982 -11.2982 -10.1720 -10.1720 -4.8915 -4.8915 -4.6715 -4.6715 -4.2515 -4.2515 -3.7816 -3.7816 -3.6339 -3.6339 -2.2201 -2.2201 -2.1581 -2.1581 1.4646 1.4646 1.8490 1.8490 2.2987 2.2987 3.1624 3.1624 3.4486 3.4486 3.5229 3.5229 3.8286 3.8286 4.2220 4.2220 4.3973 4.3973 4.7717 4.7717 5.3496 5.3496 5.4622 5.4622 5.5224 5.5224 5.9845 5.9845 6.2832 6.2832 6.4001 6.4001 7.3203 7.3203 7.4461 7.4461 7.5884 7.5884 8.0306 8.0306 8.0413 8.0413 8.3384 8.3384 8.5288 8.5288 k = 0.3187-0.2892-0.6589 ( 5327 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.7052 -12.7052 -12.6430 -12.6430 -12.5991 -12.5991 -11.4562 -11.4562 -11.3229 -11.3229 -10.1699 -10.1699 -4.8919 -4.8919 -4.6724 -4.6724 -4.2519 -4.2519 -3.7534 -3.7534 -3.6693 -3.6693 -2.2185 -2.2185 -2.1624 -2.1624 1.4977 1.4977 1.8699 1.8699 2.2719 2.2719 3.2118 3.2118 3.4476 3.4476 3.5424 3.5424 3.7938 3.7938 4.2267 4.2267 4.3720 4.3720 4.7707 4.7707 5.3489 5.3489 5.4574 5.4574 5.5291 5.5291 5.9591 5.9591 6.3107 6.3107 6.3718 6.3718 7.2985 7.2985 7.4355 7.4355 7.6197 7.6197 8.0163 8.0163 8.0410 8.0410 8.3435 8.3435 8.5549 8.5549 k = 0.3263-0.2961-0.6746 ( 5329 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.6824 -12.6824 -12.6363 -12.6363 -12.6288 -12.6288 -11.4344 -11.4344 -11.3457 -11.3457 -10.1693 -10.1693 -4.8926 -4.8926 -4.6728 -4.6728 -4.2524 -4.2524 -3.7331 -3.7331 -3.6938 -3.6938 -2.2182 -2.2182 -2.1653 -2.1653 1.5192 1.5192 1.9016 1.9016 2.2387 2.2387 3.2581 3.2581 3.4366 3.4366 3.5594 3.5594 3.7706 3.7706 4.2246 4.2246 4.3545 4.3545 4.7769 4.7769 5.3412 5.3412 5.4552 5.4552 5.5347 5.5347 5.9390 5.9390 6.3374 6.3374 6.3426 6.3426 7.2739 7.2739 7.4251 7.4251 7.6541 7.6541 7.9993 7.9993 8.0428 8.0428 8.3442 8.3442 8.5515 8.5515 k = 0.3339-0.3030-0.6903 ( 5327 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.6700 -12.6700 -12.6576 -12.6576 -12.6196 -12.6196 -11.4205 -11.4205 -11.3595 -11.3595 -10.1700 -10.1700 -4.8936 -4.8936 -4.6725 -4.6725 -4.2531 -4.2531 -3.7540 -3.7540 -3.6738 -3.6738 -2.2194 -2.2194 -2.1663 -2.1663 1.5313 1.5313 1.9414 1.9414 2.2000 2.2000 3.2999 3.2999 3.4161 3.4161 3.5728 3.5728 3.7588 3.7588 4.2170 4.2170 4.3466 4.3466 4.7894 4.7894 5.3293 5.3293 5.4542 5.4542 5.5374 5.5374 5.9254 5.9254 6.3060 6.3060 6.3698 6.3698 7.2474 7.2474 7.4149 7.4149 7.6884 7.6884 7.9858 7.9858 8.0418 8.0418 8.3431 8.3431 8.4999 8.4999 k = 0.3415-0.3099-0.7060 ( 5325 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.7001 -12.7001 -12.6396 -12.6396 -12.6064 -12.6064 -11.4285 -11.4285 -11.3508 -11.3508 -10.1720 -10.1720 -4.8952 -4.8952 -4.6716 -4.6716 -4.2541 -4.2541 -3.7882 -3.7882 -3.6371 -3.6371 -2.2224 -2.2224 -2.1655 -2.1655 1.5372 1.5372 1.9837 1.9837 2.1591 2.1591 3.3347 3.3347 3.3890 3.3890 3.5824 3.5824 3.7562 3.7562 4.2054 4.2054 4.3499 4.3499 4.8065 4.8065 5.3163 5.3163 5.4507 5.4507 5.5389 5.5389 5.9181 5.9181 6.2695 6.2695 6.4001 6.4001 7.2196 7.2196 7.4050 7.4050 7.7194 7.7194 7.9780 7.9780 8.0373 8.0373 8.3427 8.3427 8.4463 8.4463 k = 0.3491-0.3168-0.7217 ( 5317 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.7314 -12.7314 -12.6209 -12.6209 -12.5919 -12.5919 -11.4511 -11.4511 -11.3270 -11.3270 -10.1751 -10.1751 -4.8974 -4.8974 -4.6699 -4.6699 -4.2554 -4.2554 -3.8232 -3.8232 -3.5963 -3.5963 -2.2270 -2.2270 -2.1631 -2.1631 1.5395 1.5395 2.0136 2.0136 2.1287 2.1287 3.3469 3.3469 3.3711 3.3711 3.5900 3.5900 3.7596 3.7596 4.1917 4.1917 4.3647 4.3647 4.8266 4.8266 5.3041 5.3041 5.4418 5.4418 5.5419 5.5419 5.9162 5.9162 6.2311 6.2311 6.4306 6.4306 7.1909 7.1909 7.3954 7.3954 7.7429 7.7429 7.9788 7.9788 8.0292 8.0292 8.3441 8.3441 8.3922 8.3922 k = 0.3567-0.3237-0.7374 ( 5315 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.7619 -12.7619 -12.6034 -12.6034 -12.5762 -12.5762 -11.4783 -11.4783 -11.2984 -11.2984 -10.1791 -10.1791 -4.9002 -4.9002 -4.6677 -4.6677 -4.2573 -4.2573 -3.8577 -3.8577 -3.5526 -3.5526 -2.2328 -2.2328 -2.1594 -2.1594 1.5402 1.5402 1.9979 1.9979 2.1410 2.1410 3.3178 3.3178 3.3799 3.3799 3.5991 3.5991 3.7664 3.7664 4.1772 4.1772 4.3900 4.3900 4.8478 4.8478 5.2938 5.2938 5.4276 5.4276 5.5478 5.5478 5.9183 5.9183 6.1909 6.1909 6.4611 6.4611 7.1616 7.1616 7.3863 7.3863 7.7560 7.7560 7.9897 7.9897 8.0183 8.0183 8.3369 8.3369 8.3493 8.3493 k = 0.6433-0.1022-0.5927 ( 5315 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.7620 -12.7620 -12.6033 -12.6033 -12.5762 -12.5762 -11.4782 -11.4782 -11.2985 -11.2985 -10.1791 -10.1791 -4.9002 -4.9002 -4.6677 -4.6677 -4.2573 -4.2573 -3.8576 -3.8576 -3.5526 -3.5526 -2.2328 -2.2328 -2.1594 -2.1594 1.5402 1.5402 1.9979 1.9979 2.1409 2.1409 3.3179 3.3179 3.3799 3.3799 3.5991 3.5991 3.7664 3.7664 4.1772 4.1772 4.3900 4.3900 4.8477 4.8477 5.2938 5.2938 5.4277 5.4277 5.5478 5.5478 5.9183 5.9183 6.1910 6.1910 6.4610 6.4610 7.1616 7.1616 7.3863 7.3863 7.7561 7.7561 7.9897 7.9897 8.0183 8.0183 8.3370 8.3370 8.3494 8.3494 k = 0.6358-0.0852-0.5927 ( 5313 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -12.7912 -12.7912 -12.5871 -12.5871 -12.5594 -12.5594 -11.5070 -11.5070 -11.2683 -11.2683 -10.1838 -10.1838 -4.9037 -4.9037 -4.6651 -4.6651 -4.2598 -4.2598 -3.8907 -3.8907 -3.5069 -3.5069 -2.2394 -2.2394 -2.1549 -2.1549 1.5406 1.5406 1.9471 1.9471 2.1847 2.1847 3.2848 3.2848 3.3772 3.3772 3.6138 3.6138 3.7744 3.7744 4.1635 4.1635 4.4238 4.4238 4.8683 4.8683 5.2863 5.2863 5.4105 5.4105 5.5566 5.5566 5.9229 5.9229 6.1498 6.1498 6.4912 6.4912 7.1320 7.1320 7.3777 7.3777 7.7586 7.7586 7.9973 7.9973 8.0169 8.0169 8.2845 8.2845 8.3557 8.3557 k = 0.6283-0.0681-0.5927 ( 5325 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.8192 -12.8192 -12.5721 -12.5721 -12.5415 -12.5415 -11.5368 -11.5368 -11.2373 -11.2373 -10.1892 -10.1892 -4.9076 -4.9076 -4.6623 -4.6623 -4.2631 -4.2631 -3.9221 -3.9221 -3.4592 -3.4592 -2.2468 -2.2468 -2.1499 -2.1499 1.5416 1.5416 1.8846 1.8846 2.2366 2.2366 3.2525 3.2525 3.3596 3.3596 3.6351 3.6351 3.7821 3.7821 4.1514 4.1514 4.4636 4.4636 4.8870 4.8870 5.2818 5.2818 5.3929 5.3929 5.5679 5.5679 5.9286 5.9286 6.1076 6.1076 6.5210 6.5210 7.1020 7.1020 7.3695 7.3695 7.7532 7.7532 7.9819 7.9819 8.0403 8.0403 8.2345 8.2345 8.3653 8.3653 k = 0.6207-0.0511-0.5927 ( 5325 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.8460 -12.8460 -12.5582 -12.5582 -12.5225 -12.5225 -11.5674 -11.5674 -11.2061 -11.2061 -10.1951 -10.1951 -4.9121 -4.9121 -4.6594 -4.6594 -4.2672 -4.2672 -3.9514 -3.9514 -3.4099 -3.4099 -2.2546 -2.2546 -2.1445 -2.1445 1.5437 1.5437 1.8170 1.8170 2.2903 2.2903 3.2220 3.2220 3.3302 3.3302 3.6615 3.6615 3.7883 3.7883 4.1416 4.1416 4.5071 4.5071 4.9023 4.9023 5.2808 5.2808 5.3778 5.3778 5.5817 5.5817 5.9345 5.9345 6.0649 6.0649 6.5502 6.5502 7.0716 7.0716 7.3617 7.3617 7.7427 7.7427 7.9621 7.9621 8.0598 8.0598 8.1951 8.1951 8.3771 8.3771 k = 0.6132-0.0341-0.5927 ( 5325 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.8714 -12.8714 -12.5455 -12.5455 -12.5024 -12.5024 -11.5985 -11.5985 -11.1749 -11.1749 -10.2013 -10.2013 -4.9168 -4.9168 -4.6567 -4.6567 -4.2722 -4.2722 -3.9783 -3.9783 -3.3593 -3.3593 -2.2630 -2.2630 -2.1389 -2.1389 1.5473 1.5473 1.7466 1.7466 2.3437 2.3437 3.1935 3.1935 3.2929 3.2929 3.6905 3.6905 3.7924 3.7924 4.1347 4.1347 4.5516 4.5516 4.9128 4.9128 5.2830 5.2830 5.3672 5.3672 5.5980 5.5980 5.9395 5.9395 6.0223 6.0223 6.5788 6.5788 7.0410 7.0410 7.3544 7.3544 7.7294 7.7294 7.9402 7.9402 8.0533 8.0533 8.1842 8.1842 8.3906 8.3906 k = 0.6056-0.0170-0.5927 ( 5315 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -12.8954 -12.8954 -12.5339 -12.5339 -12.4811 -12.4811 -11.6301 -11.6301 -11.1442 -11.1442 -10.2078 -10.2078 -4.9219 -4.9219 -4.6544 -4.6544 -4.2781 -4.2781 -4.0026 -4.0026 -3.3078 -3.3078 -2.2717 -2.2717 -2.1333 -2.1333 1.5525 1.5525 1.6749 1.6749 2.3957 2.3957 3.1672 3.1672 3.2509 3.2509 3.7203 3.7203 3.7944 3.7944 4.1306 4.1306 4.5955 4.5955 4.9179 4.9179 5.2882 5.2882 5.3629 5.3629 5.6174 5.6174 5.9423 5.9423 5.9813 5.9813 6.6067 6.6067 7.0101 7.0101 7.3476 7.3476 7.7146 7.7146 7.9168 7.9168 8.0170 8.0170 8.2044 8.2044 8.4054 8.4054 k = 0.5981-0.0000-0.5927 ( 5323 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.9180 -12.9180 -12.5233 -12.5233 -12.4589 -12.4589 -11.6622 -11.6622 -11.1141 -11.1141 -10.2144 -10.2144 -4.9271 -4.9271 -4.6528 -4.6528 -4.2848 -4.2848 -4.0239 -4.0239 -3.2559 -3.2559 -2.2808 -2.2808 -2.1277 -2.1277 1.5586 1.5586 1.6038 1.6038 2.4455 2.4455 3.1429 3.1429 3.2068 3.2068 3.7489 3.7489 3.7948 3.7948 4.1293 4.1293 4.6370 4.6370 4.9170 4.9170 5.2953 5.2953 5.3654 5.3654 5.6403 5.6403 5.9303 5.9303 5.9548 5.9548 6.6335 6.6335 6.9787 6.9787 7.3411 7.3411 7.6992 7.6992 7.8924 7.8924 7.9690 7.9690 8.2366 8.2366 8.4211 8.4211 k = 0.5905 0.0170-0.5927 ( 5323 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -12.9391 -12.9391 -12.5138 -12.5138 -12.4355 -12.4355 -11.6946 -11.6946 -11.0851 -11.0851 -10.2209 -10.2209 -4.9323 -4.9323 -4.6521 -4.6521 -4.2922 -4.2922 -4.0422 -4.0422 -3.2038 -3.2038 -2.2903 -2.2903 -2.1222 -2.1222 1.5294 1.5294 1.5704 1.5704 2.4923 2.4923 3.1201 3.1201 3.1631 3.1631 3.7715 3.7715 3.7982 3.7982 4.1302 4.1302 4.6755 4.6755 4.9109 4.9109 5.3033 5.3033 5.3748 5.3748 5.6666 5.6666 5.8954 5.8954 5.9522 5.9522 6.6593 6.6593 6.9468 6.9468 7.3350 7.3350 7.6835 7.6835 7.8665 7.8665 7.9191 7.9191 8.2717 8.2717 8.4371 8.4371 k = 0.5830 0.0341-0.5927 ( 5325 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -12.9586 -12.9586 -12.5052 -12.5052 -12.4112 -12.4112 -11.7274 -11.7274 -11.0573 -11.0573 -10.2273 -10.2273 -4.9375 -4.9375 -4.6524 -4.6524 -4.2999 -4.2999 -4.0577 -4.0577 -3.1521 -3.1521 -2.3002 -2.3002 -2.1168 -2.1168 1.4608 1.4608 1.5797 1.5797 2.5353 2.5353 3.0968 3.0968 3.1233 3.1233 3.7768 3.7768 3.8156 3.8156 4.1328 4.1328 4.7107 4.7107 4.9005 4.9005 5.3106 5.3106 5.3902 5.3902 5.6944 5.6944 5.8629 5.8629 5.9512 5.9512 6.6839 6.6839 6.9143 6.9143 7.3294 7.3294 7.6677 7.6677 7.8372 7.8372 7.8729 7.8729 8.3068 8.3068 8.4532 8.4532 k = 0.5754 0.0511-0.5927 ( 5335 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -12.9765 -12.9765 -12.4975 -12.4975 -12.3860 -12.3860 -11.7604 -11.7604 -11.0310 -11.0310 -10.2335 -10.2335 -4.9426 -4.9426 -4.6537 -4.6537 -4.3076 -4.3076 -4.0704 -4.0704 -3.1012 -3.1012 -2.3104 -2.3104 -2.1117 -2.1117 1.3938 1.3938 1.5913 1.5913 2.5731 2.5731 3.0677 3.0677 3.0945 3.0945 3.7729 3.7729 3.8392 3.8392 4.1364 4.1364 4.7428 4.7428 4.8872 4.8872 5.3158 5.3158 5.4102 5.4102 5.7157 5.7157 5.8444 5.8444 5.9490 5.9490 6.7070 6.7070 6.8808 6.8808 7.3241 7.3241 7.6516 7.6516 7.7996 7.7996 7.8372 7.8372 8.3404 8.3404 8.4689 8.4689 k = 0.5679 0.0681-0.5927 ( 5341 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -12.9929 -12.9929 -12.4907 -12.4907 -12.3599 -12.3599 -11.7936 -11.7936 -11.0064 -11.0064 -10.2394 -10.2394 -4.9474 -4.9474 -4.6560 -4.6560 -4.3151 -4.3151 -4.0806 -4.0806 -3.0517 -3.0517 -2.3210 -2.3210 -2.1070 -2.1070 1.3301 1.3301 1.6041 1.6041 2.6045 2.6045 3.0356 3.0356 3.0758 3.0758 3.7669 3.7669 3.8619 3.8619 4.1407 4.1407 4.7723 4.7723 4.8724 4.8724 5.3176 5.3176 5.4337 5.4337 5.7164 5.7164 5.8543 5.8543 5.9459 5.9459 6.7284 6.7284 6.8463 6.8463 7.3191 7.3191 7.6348 7.6348 7.7570 7.7570 7.8107 7.8107 8.3719 8.3719 8.4841 8.4841 k = 0.5604 0.0852-0.5927 ( 5329 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0075 -13.0075 -12.4847 -12.4847 -12.3329 -12.3329 -11.8269 -11.8269 -10.9837 -10.9837 -10.2449 -10.2449 -4.9519 -4.9519 -4.6592 -4.6592 -4.3219 -4.3219 -4.0888 -4.0888 -3.0040 -3.0040 -2.3320 -2.3320 -2.1025 -2.1025 1.2706 1.2706 1.6178 1.6178 2.6278 2.6278 3.0083 3.0083 3.0613 3.0613 3.7603 3.7603 3.8825 3.8825 4.1452 4.1452 4.7997 4.7997 4.8574 4.8574 5.3153 5.3153 5.4594 5.4594 5.6985 5.6985 5.8884 5.8884 5.9447 5.9447 6.7476 6.7476 6.8108 6.8108 7.3146 7.3146 7.6161 7.6161 7.7170 7.7170 7.7883 7.7883 8.4010 8.4010 8.4984 8.4984 k = 0.5528 0.1022-0.5927 ( 5325 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0205 -13.0205 -12.4796 -12.4796 -12.3051 -12.3051 -11.8603 -11.8603 -10.9632 -10.9632 -10.2499 -10.2499 -4.9560 -4.9560 -4.6630 -4.6630 -4.3279 -4.3279 -4.0952 -4.0952 -2.9588 -2.9588 -2.3431 -2.3431 -2.0985 -2.0985 1.2159 1.2159 1.6319 1.6319 2.6417 2.6417 2.9889 2.9889 3.0494 3.0494 3.7538 3.7538 3.9005 3.9005 4.1495 4.1495 4.8235 4.8235 4.8454 4.8454 5.3081 5.3081 5.4862 5.4862 5.6751 5.6751 5.9138 5.9138 5.9644 5.9644 6.7578 6.7578 6.7804 6.7804 7.3105 7.3105 7.5939 7.5939 7.6839 7.6839 7.7685 7.7685 8.4271 8.4271 8.5116 8.5116 k = 0.5453 0.1192-0.5927 ( 5321 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0319 -13.0319 -12.4751 -12.4751 -12.2765 -12.2765 -11.8938 -11.8938 -10.9451 -10.9451 -10.2544 -10.2544 -4.9598 -4.9598 -4.6673 -4.6673 -4.3330 -4.3330 -4.1001 -4.1001 -2.9169 -2.9169 -2.3543 -2.3543 -2.0949 -2.0949 1.1668 1.1668 1.6459 1.6459 2.6460 2.6460 2.9783 2.9783 3.0396 3.0396 3.7476 3.7476 3.9156 3.9156 4.1535 4.1535 4.8237 4.8237 4.8574 4.8574 5.2961 5.2961 5.5130 5.5130 5.6528 5.6528 5.9120 5.9120 6.0171 6.0171 6.7270 6.7270 6.7865 6.7865 7.3068 7.3068 7.5680 7.5680 7.6595 7.6595 7.7509 7.7509 8.4502 8.4502 8.5235 8.5235 k = 0.5377 0.1363-0.5927 ( 5325 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0415 -13.0415 -12.4714 -12.4714 -12.2473 -12.2473 -11.9272 -11.9272 -10.9294 -10.9294 -10.2582 -10.2582 -4.9630 -4.9630 -4.6716 -4.6716 -4.3372 -4.3372 -4.1039 -4.1039 -2.8788 -2.8788 -2.3654 -2.3654 -2.0918 -2.0918 1.1240 1.1240 1.6592 1.6592 2.6423 2.6423 2.9753 2.9753 3.0320 3.0320 3.7420 3.7420 3.9280 3.9280 4.1570 4.1570 4.8125 4.8125 4.8821 4.8821 5.2799 5.2799 5.5384 5.5384 5.6343 5.6343 5.9034 5.9034 6.0794 6.0794 6.6843 6.6843 6.7995 6.7995 7.3035 7.3035 7.5405 7.5405 7.6427 7.6427 7.7356 7.7356 8.4700 8.4700 8.5339 8.5339 k = 0.5302 0.1533-0.5927 ( 5335 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0494 -13.0494 -12.4684 -12.4684 -12.2174 -12.2174 -11.9605 -11.9605 -10.9164 -10.9164 -10.2615 -10.2615 -4.9658 -4.9658 -4.6757 -4.6757 -4.3405 -4.3405 -4.1066 -4.1066 -2.8455 -2.8455 -2.3758 -2.3758 -2.0891 -2.0891 1.0881 1.0881 1.6714 1.6714 2.6337 2.6337 2.9771 2.9771 3.0264 3.0264 3.7373 3.7373 3.9377 3.9377 4.1598 4.1598 4.8020 4.8020 4.9072 4.9072 5.2605 5.2605 5.5608 5.5608 5.6210 5.6210 5.8930 5.8930 6.1448 6.1448 6.6378 6.6378 6.8110 6.8110 7.3007 7.3007 7.5145 7.5145 7.6311 7.6311 7.7228 7.7228 8.4864 8.4864 8.5425 8.5425 k = 0.5226 0.1703-0.5927 ( 5327 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0555 -13.0555 -12.4661 -12.4661 -12.1869 -12.1869 -11.9936 -11.9936 -10.9062 -10.9062 -10.2640 -10.2640 -4.9679 -4.9679 -4.6793 -4.6793 -4.3429 -4.3429 -4.1086 -4.1086 -2.8180 -2.8180 -2.3851 -2.3851 -2.0871 -2.0871 1.0596 1.0596 1.6816 1.6816 2.6235 2.6235 2.9808 2.9808 3.0229 3.0229 3.7335 3.7335 3.9450 3.9450 4.1621 4.1621 4.7936 4.7936 4.9310 4.9310 5.2400 5.2400 5.5766 5.5766 5.6153 5.6153 5.8827 5.8827 6.2110 6.2110 6.5879 6.5879 6.8202 6.8202 7.2985 7.2985 7.4926 7.4926 7.6232 7.6232 7.7126 7.7126 8.4993 8.4993 8.5494 8.5494 k = 0.5151 0.1874-0.5927 ( 5334 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0599 -13.0599 -12.4644 -12.4644 -12.1560 -12.1560 -12.0265 -12.0265 -10.8988 -10.8988 -10.2659 -10.2659 -4.9695 -4.9695 -4.6820 -4.6820 -4.3445 -4.3445 -4.1100 -4.1100 -2.7973 -2.7973 -2.3926 -2.3926 -2.0856 -2.0856 1.0389 1.0389 1.6895 1.6895 2.6143 2.6143 2.9840 2.9840 3.0214 3.0214 3.7308 3.7308 3.9499 3.9499 4.1637 4.1637 4.7873 4.7873 4.9515 4.9515 5.2210 5.2210 5.5821 5.5821 5.6190 5.6190 5.8736 5.8736 6.2762 6.2762 6.5352 6.5352 6.8269 6.8269 7.2968 7.2968 7.4760 7.4760 7.6179 7.6179 7.7052 7.7052 8.5085 8.5085 8.5544 8.5544 k = 0.5075 0.2044-0.5927 ( 5332 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0625 -13.0625 -12.4635 -12.4635 -12.1247 -12.1247 -12.0589 -12.0589 -10.8943 -10.8943 -10.2670 -10.2670 -4.9705 -4.9705 -4.6837 -4.6837 -4.3455 -4.3455 -4.1107 -4.1107 -2.7843 -2.7843 -2.3975 -2.3975 -2.0847 -2.0847 1.0264 1.0264 1.6944 1.6944 2.6080 2.6080 2.9859 2.9859 3.0211 3.0211 3.7291 3.7291 3.9528 3.9528 4.1647 4.1647 4.7836 4.7836 4.9661 4.9661 5.2071 5.2071 5.5819 5.5819 5.6259 5.6259 5.8673 5.8673 6.3372 6.3372 6.4821 6.4821 6.8309 6.8309 7.2958 7.2958 7.4658 7.4658 7.6149 7.6149 7.7008 7.7008 8.5141 8.5141 8.5574 8.5574 k = 0.5000 0.2214-0.5927 ( 5330 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0634 -13.0634 -12.4631 -12.4631 -12.0989 -12.0989 -12.0851 -12.0851 -10.8928 -10.8928 -10.2673 -10.2673 -4.9708 -4.9708 -4.6843 -4.6843 -4.3458 -4.3458 -4.1110 -4.1110 -2.7799 -2.7799 -2.3992 -2.3992 -2.0844 -2.0844 1.0222 1.0222 1.6961 1.6961 2.6058 2.6058 2.9865 2.9865 3.0212 3.0212 3.7286 3.7286 3.9538 3.9538 4.1651 4.1651 4.7823 4.7823 4.9715 4.9715 5.2019 5.2019 5.5814 5.5814 5.6288 5.6288 5.8650 5.8650 6.3741 6.3741 6.4478 6.4478 6.8323 6.8323 7.2955 7.2955 7.4624 7.4624 7.6139 7.6139 7.6993 7.6993 8.5160 8.5160 8.5584 8.5584 k = 0.5000 0.2214-0.5927 ( 5330 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0634 -13.0634 -12.4631 -12.4631 -12.0989 -12.0989 -12.0851 -12.0851 -10.8928 -10.8928 -10.2673 -10.2673 -4.9708 -4.9708 -4.6843 -4.6843 -4.3458 -4.3458 -4.1110 -4.1110 -2.7799 -2.7799 -2.3992 -2.3992 -2.0844 -2.0844 1.0222 1.0222 1.6961 1.6961 2.6058 2.6058 2.9865 2.9865 3.0212 3.0212 3.7286 3.7286 3.9538 3.9538 4.1651 4.1651 4.7823 4.7823 4.9715 4.9715 5.2019 5.2019 5.5814 5.5814 5.6288 5.6288 5.8650 5.8650 6.3741 6.3741 6.4478 6.4478 6.8323 6.8323 7.2955 7.2955 7.4624 7.4624 7.6139 7.6139 7.6993 7.6993 8.5160 8.5160 8.5584 8.5584 k = 0.5119 0.2267-0.5807 ( 5329 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0634 -13.0634 -12.4641 -12.4641 -12.0989 -12.0989 -12.0840 -12.0840 -10.8928 -10.8928 -10.2677 -10.2677 -4.9705 -4.9705 -4.6841 -4.6841 -4.3455 -4.3455 -4.1110 -4.1110 -2.7800 -2.7800 -2.3988 -2.3988 -2.0847 -2.0847 1.0206 1.0206 1.6966 1.6966 2.6064 2.6064 2.9865 2.9865 3.0214 3.0214 3.7260 3.7260 3.9545 3.9545 4.1634 4.1634 4.7803 4.7803 4.9745 4.9745 5.2040 5.2040 5.5823 5.5823 5.6290 5.6290 5.8600 5.8600 6.3740 6.3740 6.4530 6.4530 6.8319 6.8319 7.2930 7.2930 7.4628 7.4628 7.6149 7.6149 7.7005 7.7005 8.5159 8.5159 8.5588 8.5588 k = 0.5239 0.2320-0.5686 ( 5327 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0634 -13.0634 -12.4669 -12.4669 -12.0990 -12.0990 -12.0805 -12.0805 -10.8925 -10.8925 -10.2686 -10.2686 -4.9698 -4.9698 -4.6836 -4.6836 -4.3446 -4.3446 -4.1110 -4.1110 -2.7804 -2.7804 -2.3977 -2.3977 -2.0857 -2.0857 1.0159 1.0159 1.6982 1.6982 2.6080 2.6080 2.9865 2.9865 3.0222 3.0222 3.7185 3.7185 3.9563 3.9563 4.1586 4.1586 4.7746 4.7746 4.9833 4.9833 5.2103 5.2103 5.5847 5.5847 5.6298 5.6298 5.8455 5.8455 6.3738 6.3738 6.4677 6.4677 6.8305 6.8305 7.2857 7.2857 7.4640 7.4640 7.6178 7.6178 7.7042 7.7042 8.5157 8.5157 8.5598 8.5598 k = 0.5358 0.2373-0.5566 ( 5329 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0634 -13.0634 -12.4715 -12.4715 -12.0993 -12.0993 -12.0750 -12.0750 -10.8921 -10.8921 -10.2703 -10.2703 -4.9686 -4.9686 -4.6828 -4.6828 -4.3431 -4.3431 -4.1109 -4.1109 -2.7811 -2.7811 -2.3959 -2.3959 -2.0873 -2.0873 1.0081 1.0081 1.7007 1.7007 2.6107 2.6107 2.9862 2.9862 3.0236 3.0236 3.7067 3.7067 3.9590 3.9590 4.1508 4.1508 4.7662 4.7662 4.9968 4.9968 5.2205 5.2205 5.5885 5.5885 5.6313 5.6313 5.8230 5.8230 6.3736 6.3736 6.4904 6.4904 6.8283 6.8283 7.2743 7.2743 7.4659 7.4659 7.6222 7.6222 7.7104 7.7104 8.5154 8.5154 8.5615 8.5615 k = 0.5478 0.2426-0.5445 ( 5328 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0635 -13.0635 -12.4776 -12.4776 -12.0996 -12.0996 -12.0674 -12.0674 -10.8915 -10.8915 -10.2725 -10.2725 -4.9669 -4.9669 -4.6816 -4.6816 -4.3410 -4.3410 -4.1109 -4.1109 -2.7821 -2.7821 -2.3933 -2.3933 -2.0895 -2.0895 0.9972 0.9972 1.7041 1.7041 2.6144 2.6144 2.9854 2.9854 3.0255 3.0255 3.6912 3.6912 3.9618 3.9618 4.1403 4.1403 4.7561 4.7561 5.0141 5.0141 5.2343 5.2343 5.5931 5.5931 5.6337 5.6337 5.7947 5.7947 6.3734 6.3734 6.5192 6.5192 6.8252 6.8252 7.2594 7.2594 7.4684 7.4684 7.6274 7.6274 7.7192 7.7192 8.5149 8.5149 8.5639 8.5639 k = 0.5597 0.2479-0.5325 ( 5331 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0636 -13.0636 -12.4851 -12.4851 -12.0999 -12.0999 -12.0580 -12.0580 -10.8908 -10.8908 -10.2754 -10.2754 -4.9648 -4.9648 -4.6802 -4.6802 -4.3384 -4.3384 -4.1108 -4.1108 -2.7834 -2.7834 -2.3900 -2.3900 -2.0923 -2.0923 0.9835 0.9835 1.7083 1.7083 2.6190 2.6190 2.9841 2.9841 3.0278 3.0278 3.6731 3.6731 3.9643 3.9643 4.1277 4.1277 4.7449 4.7449 5.0341 5.0341 5.2512 5.2512 5.5978 5.5978 5.6370 5.6370 5.7630 5.7630 6.3733 6.3733 6.5524 6.5524 6.8213 6.8213 7.2420 7.2420 7.4716 7.4716 7.6332 7.6332 7.7304 7.7304 8.5144 8.5144 8.5669 8.5669 k = 0.5717 0.2532-0.5204 ( 5327 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0639 -13.0639 -12.4937 -12.4937 -12.1004 -12.1004 -12.0470 -12.0470 -10.8899 -10.8899 -10.2789 -10.2789 -4.9622 -4.9622 -4.6785 -4.6785 -4.3350 -4.3350 -4.1106 -4.1106 -2.7849 -2.7849 -2.3860 -2.3860 -2.0956 -2.0956 0.9670 0.9670 1.7133 1.7133 2.6244 2.6244 2.9820 2.9820 3.0305 3.0305 3.6531 3.6531 3.9660 3.9660 4.1133 4.1133 4.7335 4.7335 5.0561 5.0561 5.2706 5.2706 5.6015 5.6015 5.6403 5.6403 5.7312 5.7312 6.3732 6.3732 6.5882 6.5882 6.8166 6.8166 7.2228 7.2228 7.4753 7.4753 7.6394 7.6394 7.7437 7.7437 8.5138 8.5138 8.5705 8.5705 k = 0.5836 0.2585-0.5084 ( 5328 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0642 -13.0642 -12.5031 -12.5031 -12.1009 -12.1009 -12.0345 -12.0345 -10.8889 -10.8889 -10.2830 -10.2830 -4.9593 -4.9593 -4.6765 -4.6765 -4.3311 -4.3311 -4.1104 -4.1104 -2.7866 -2.7866 -2.3813 -2.3813 -2.0995 -2.0995 0.9480 0.9480 1.7190 1.7190 2.6306 2.6306 2.9789 2.9789 3.0331 3.0331 3.6321 3.6321 3.9663 3.9663 4.0979 4.0979 4.7222 4.7222 5.0796 5.0796 5.2921 5.2921 5.6019 5.6019 5.6403 5.6403 5.7062 5.7062 6.3730 6.3730 6.6255 6.6255 6.8113 6.8113 7.2025 7.2025 7.4796 7.4796 7.6461 7.6461 7.7587 7.7587 8.5131 8.5131 8.5746 8.5746 k = 0.5956 0.2638-0.4963 ( 5329 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0648 -13.0648 -12.5132 -12.5132 -12.1015 -12.1015 -12.0209 -12.0209 -10.8878 -10.8878 -10.2878 -10.2878 -4.9561 -4.9561 -4.6743 -4.6743 -4.3265 -4.3265 -4.1101 -4.1101 -2.7885 -2.7885 -2.3760 -2.3760 -2.1039 -2.1039 0.9265 0.9265 1.7251 1.7251 2.6375 2.6375 2.9749 2.9749 3.0351 3.0351 3.6111 3.6111 3.9649 3.9649 4.0818 4.0818 4.7113 4.7113 5.1040 5.1040 5.3149 5.3149 5.5924 5.5924 5.6346 5.6346 5.6979 5.6979 6.3729 6.3729 6.6630 6.6630 6.8053 6.8053 7.1819 7.1819 7.4846 7.4846 7.6536 7.6536 7.7750 7.7750 8.5125 8.5125 8.5792 8.5792 k = 0.6075 0.2691-0.4843 ( 5324 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -13.0656 -13.0656 -12.5237 -12.5237 -12.1021 -12.1021 -12.0062 -12.0062 -10.8864 -10.8864 -10.2930 -10.2930 -4.9526 -4.9526 -4.6718 -4.6718 -4.3213 -4.3213 -4.1097 -4.1097 -2.7906 -2.7906 -2.3700 -2.3700 -2.1088 -2.1088 0.9027 0.9027 1.7318 1.7318 2.6448 2.6448 2.9698 2.9698 3.0361 3.0361 3.5907 3.5907 3.9616 3.9616 4.0657 4.0657 4.7013 4.7013 5.1290 5.1290 5.3382 5.3382 5.5664 5.5664 5.6326 5.6326 5.7042 5.7042 6.3728 6.3728 6.6999 6.6999 6.7988 6.7988 7.1614 7.1614 7.4903 7.4903 7.6621 7.6621 7.7923 7.7923 8.5118 8.5118 8.5844 8.5844 k = 0.6195 0.2744-0.4722 ( 5323 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -13.0667 -13.0667 -12.5344 -12.5344 -12.1028 -12.1028 -11.9906 -11.9906 -10.8850 -10.8850 -10.2989 -10.2989 -4.9489 -4.9489 -4.6692 -4.6692 -4.3154 -4.3154 -4.1092 -4.1092 -2.7929 -2.7929 -2.3634 -2.3634 -2.1140 -2.1140 0.8768 0.8768 1.7387 1.7387 2.6525 2.6525 2.9635 2.9635 3.0354 3.0354 3.5719 3.5719 3.9560 3.9560 4.0500 4.0500 4.6922 4.6922 5.1540 5.1540 5.3612 5.3612 5.5313 5.5313 5.6361 5.6361 5.7169 5.7169 6.3728 6.3728 6.7352 6.7352 6.7922 6.7922 7.1415 7.1415 7.4972 7.4972 7.6717 7.6717 7.8102 7.8102 8.5111 8.5111 8.5899 8.5899 k = 0.6314 0.2796-0.4601 ( 5325 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0681 -13.0681 -12.5452 -12.5452 -12.1036 -12.1036 -11.9742 -11.9742 -10.8835 -10.8835 -10.3053 -10.3053 -4.9450 -4.9450 -4.6665 -4.6665 -4.3088 -4.3088 -4.1085 -4.1085 -2.7953 -2.7953 -2.3562 -2.3562 -2.1196 -2.1196 0.8490 0.8490 1.7459 1.7459 2.6604 2.6604 2.9559 2.9559 3.0325 3.0325 3.5553 3.5553 3.9481 3.9481 4.0351 4.0351 4.6844 4.6844 5.1785 5.1785 5.3829 5.3829 5.4941 5.4941 5.6429 5.6429 5.7325 5.7325 6.3727 6.3727 6.7661 6.7661 6.7876 6.7876 7.1228 7.1228 7.5053 7.5053 7.6827 7.6827 7.8287 7.8287 8.5104 8.5104 8.5958 8.5958 k = 0.6433 0.2849-0.4481 ( 5326 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0701 -13.0701 -12.5557 -12.5557 -12.1044 -12.1044 -11.9571 -11.9571 -10.8818 -10.8818 -10.3122 -10.3122 -4.9409 -4.9409 -4.6636 -4.6636 -4.3017 -4.3017 -4.1075 -4.1075 -2.7978 -2.7978 -2.3485 -2.3485 -2.1255 -2.1255 0.8194 0.8194 1.7532 1.7532 2.6683 2.6683 2.9469 2.9469 3.0269 3.0269 3.5416 3.5416 3.9378 3.9378 4.0215 4.0215 4.6778 4.6778 5.2015 5.2015 5.4021 5.4021 5.4583 5.4583 5.6526 5.6526 5.7494 5.7494 6.3727 6.3727 6.7726 6.7726 6.8045 6.8045 7.1056 7.1056 7.5152 7.5152 7.6950 7.6950 7.8475 7.8475 8.5097 8.5097 8.6020 8.6020 k = 0.6433 0.2849-0.4481 ( 5326 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0701 -13.0701 -12.5557 -12.5557 -12.1044 -12.1044 -11.9571 -11.9571 -10.8818 -10.8818 -10.3122 -10.3122 -4.9409 -4.9409 -4.6636 -4.6636 -4.3017 -4.3017 -4.1075 -4.1075 -2.7978 -2.7978 -2.3485 -2.3485 -2.1255 -2.1255 0.8194 0.8194 1.7532 1.7532 2.6683 2.6683 2.9469 2.9469 3.0269 3.0269 3.5416 3.5416 3.9378 3.9378 4.0215 4.0215 4.6778 4.6778 5.2015 5.2015 5.4021 5.4021 5.4583 5.4583 5.6526 5.6526 5.7494 5.7494 6.3727 6.3727 6.7726 6.7726 6.8045 6.8045 7.1056 7.1056 7.5152 7.5152 7.6950 7.6950 7.8475 7.8475 8.5097 8.5097 8.6020 8.6020 k = 0.6390 0.2830-0.4301 ( 5327 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0796 -13.0796 -12.5760 -12.5760 -12.1058 -12.1058 -11.9125 -11.9125 -10.8790 -10.8790 -10.3315 -10.3315 -4.9333 -4.9333 -4.6594 -4.6594 -4.2888 -4.2888 -4.1033 -4.1033 -2.8003 -2.8003 -2.3420 -2.3420 -2.1292 -2.1292 0.7643 0.7643 1.7819 1.7819 2.6735 2.6735 2.9204 2.9204 3.0376 3.0376 3.4948 3.4948 3.9326 3.9326 4.0238 4.0238 4.6600 4.6600 5.2281 5.2281 5.3858 5.3858 5.4139 5.4139 5.6848 5.6848 5.7584 5.7584 6.3696 6.3696 6.7681 6.7681 6.8199 6.8199 7.0854 7.0854 7.5433 7.5433 7.7271 7.7271 7.8883 7.8883 8.5108 8.5108 8.6084 8.6084 k = 0.6347 0.2811-0.4122 ( 5329 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0918 -13.0918 -12.5936 -12.5936 -12.1073 -12.1073 -11.8657 -11.8657 -10.8757 -10.8757 -10.3536 -10.3536 -4.9248 -4.9248 -4.6550 -4.6550 -4.2741 -4.2741 -4.0976 -4.0976 -2.8030 -2.8030 -2.3354 -2.3354 -2.1321 -2.1321 0.7040 0.7040 1.8116 1.8116 2.6767 2.6767 2.8892 2.8892 3.0404 3.0404 3.4510 3.4510 3.9286 3.9286 4.0306 4.0306 4.6383 4.6383 5.2175 5.2175 5.3587 5.3587 5.4134 5.4134 5.7225 5.7225 5.7727 5.7727 6.3662 6.3662 6.7625 6.7625 6.8195 6.8195 7.0748 7.0748 7.5828 7.5828 7.7619 7.7619 7.9314 7.9314 8.5123 8.5123 8.6154 8.6154 k = 0.6303 0.2792-0.3942 ( 5329 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.1066 -13.1066 -12.6078 -12.6078 -12.1091 -12.1091 -11.8172 -11.8172 -10.8721 -10.8721 -10.3783 -10.3783 -4.9158 -4.9158 -4.6506 -4.6506 -4.2578 -4.2578 -4.0897 -4.0897 -2.8059 -2.8059 -2.3290 -2.3290 -2.1338 -2.1338 0.6400 0.6400 1.8406 1.8406 2.6761 2.6761 2.8567 2.8567 3.0314 3.0314 3.4148 3.4148 3.9251 3.9251 4.0412 4.0412 4.6126 4.6126 5.1616 5.1616 5.3731 5.3731 5.4161 5.4161 5.7624 5.7624 5.7919 5.7919 6.3626 6.3626 6.7568 6.7568 6.8044 6.8044 7.0726 7.0726 7.6323 7.6323 7.7992 7.7992 7.9770 7.9770 8.5141 8.5141 8.6230 8.6230 k = 0.6260 0.2772-0.3762 ( 5321 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.1242 -13.1242 -12.6184 -12.6184 -12.1109 -12.1109 -11.7675 -11.7675 -10.8681 -10.8681 -10.4055 -10.4055 -4.9064 -4.9064 -4.6464 -4.6464 -4.2408 -4.2408 -4.0787 -4.0787 -2.8088 -2.8088 -2.3234 -2.3234 -2.1341 -2.1341 0.5734 0.5734 1.8674 1.8674 2.6684 2.6684 2.8273 2.8273 3.0078 3.0078 3.3894 3.3894 3.9215 3.9215 4.0551 4.0551 4.5827 4.5827 5.0928 5.0928 5.3960 5.3960 5.4253 5.4253 5.7990 5.7990 5.8194 5.8194 6.3592 6.3592 6.7508 6.7508 6.7795 6.7795 7.0755 7.0755 7.6896 7.6896 7.8384 7.8384 8.0253 8.0253 8.5163 8.5163 8.6309 8.6309 k = 0.6216 0.2753-0.3583 ( 5323 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.1442 -13.1442 -12.6251 -12.6251 -12.1129 -12.1129 -11.7171 -11.7171 -10.8639 -10.8639 -10.4349 -10.4349 -4.8967 -4.8967 -4.6427 -4.6427 -4.2244 -4.2244 -4.0634 -4.0634 -2.8118 -2.8118 -2.3188 -2.3188 -2.1325 -2.1325 0.5053 0.5053 1.8911 1.8911 2.6493 2.6493 2.8061 2.8061 2.9698 2.9698 3.3752 3.3752 3.9173 3.9173 4.0716 4.0716 4.5487 4.5487 5.0256 5.0256 5.4071 5.4071 5.4488 5.4488 5.8278 5.8278 5.8574 5.8574 6.3562 6.3562 6.7409 6.7409 6.7535 6.7535 7.0809 7.0809 7.7520 7.7520 7.8792 7.8792 8.0764 8.0764 8.5189 8.5189 8.6392 8.6392 k = 0.6173 0.2734-0.3403 ( 5318 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.1664 -13.1664 -12.6281 -12.6281 -12.1151 -12.1151 -11.6663 -11.6663 -10.8593 -10.8593 -10.4664 -10.4664 -4.8868 -4.8868 -4.6395 -4.6395 -4.2096 -4.2096 -4.0425 -4.0425 -2.8147 -2.8147 -2.3156 -2.3156 -2.1288 -2.1288 0.4365 0.4365 1.9105 1.9105 2.6172 2.6172 2.7951 2.7951 2.9206 2.9206 3.3696 3.3696 3.9121 3.9121 4.0903 4.0903 4.5109 4.5109 4.9644 4.9644 5.4124 5.4124 5.4779 5.4779 5.8546 5.8546 5.8982 5.8982 6.3539 6.3539 6.7118 6.7118 6.7448 6.7448 7.0876 7.0876 7.8168 7.8168 7.9215 7.9215 8.1308 8.1308 8.5219 8.5219 8.6478 8.6478 k = 0.6129 0.2715-0.3224 ( 5316 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.1904 -13.1904 -12.6274 -12.6274 -12.1173 -12.1173 -11.6153 -11.6153 -10.8545 -10.8545 -10.4998 -10.4998 -4.8768 -4.8768 -4.6368 -4.6368 -4.1975 -4.1975 -4.0152 -4.0152 -2.8176 -2.8176 -2.3143 -2.3143 -2.1227 -2.1227 0.3675 0.3675 1.9250 1.9250 2.5750 2.5750 2.7908 2.7908 2.8652 2.8652 3.3690 3.3690 3.9053 3.9053 4.1106 4.1106 4.4704 4.4704 4.9111 4.9111 5.4172 5.4172 5.5063 5.5063 5.8814 5.8814 5.9374 5.9374 6.3528 6.3528 6.6779 6.6779 6.7416 6.7416 7.0953 7.0953 7.8819 7.8819 7.9650 7.9650 8.1887 8.1887 8.5253 8.5253 8.6566 8.6566 k = 0.6086 0.2695-0.3044 ( 5316 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.2158 -13.2158 -12.6235 -12.6235 -12.1197 -12.1197 -11.5644 -11.5644 -10.8496 -10.8496 -10.5348 -10.5348 -4.8667 -4.8667 -4.6349 -4.6349 -4.1880 -4.1880 -3.9815 -3.9815 -2.8204 -2.8204 -2.3148 -2.3148 -2.1142 -2.1142 0.2988 0.2988 1.9338 1.9338 2.5267 2.5267 2.7779 2.7779 2.8186 2.8186 3.3703 3.3703 3.8963 3.8963 4.1322 4.1322 4.4292 4.4292 4.8658 4.8658 5.4229 5.4229 5.5331 5.5331 5.9081 5.9081 5.9734 5.9734 6.3531 6.3531 6.6442 6.6442 6.7404 6.7404 7.1040 7.1040 7.9448 7.9448 8.0102 8.0102 8.2502 8.2502 8.5292 8.5292 8.6654 8.6654 k = 0.6043 0.2676-0.2864 ( 5311 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.2422 -13.2422 -12.6166 -12.6166 -12.1221 -12.1221 -11.5138 -11.5138 -10.8445 -10.8445 -10.5713 -10.5713 -4.8567 -4.8567 -4.6336 -4.6336 -4.1811 -4.1811 -3.9420 -3.9420 -2.8230 -2.8230 -2.3172 -2.3172 -2.1034 -2.1034 0.2310 0.2310 1.9364 1.9364 2.4749 2.4749 2.7257 2.7257 2.8116 2.8116 3.3711 3.3711 3.8843 3.8843 4.1546 4.1546 4.3899 4.3899 4.8278 4.8278 5.4296 5.4296 5.5582 5.5582 5.9339 5.9339 6.0049 6.0049 6.3550 6.3550 6.6118 6.6118 6.7416 6.7416 7.1138 7.1138 8.0037 8.0037 8.0575 8.0575 8.3153 8.3153 8.5335 8.5335 8.6743 8.6743 k = 0.5999 0.2657-0.2685 ( 5305 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.2692 -13.2692 -12.6070 -12.6070 -12.1246 -12.1246 -11.4638 -11.4638 -10.8395 -10.8395 -10.6090 -10.6090 -4.8467 -4.8467 -4.6329 -4.6329 -4.1760 -4.1760 -3.8973 -3.8973 -2.8254 -2.8254 -2.3213 -2.3213 -2.0905 -2.0905 0.1644 0.1644 1.9323 1.9323 2.4213 2.4213 2.6617 2.6617 2.8171 2.8171 3.3699 3.3699 3.8690 3.8690 4.1776 4.1776 4.3555 4.3555 4.7959 4.7959 5.4375 5.4375 5.5818 5.5818 5.9581 5.9581 6.0311 6.0311 6.3584 6.3584 6.5811 6.5811 6.7458 6.7458 7.1250 7.1250 8.0571 8.0571 8.1074 8.1074 8.3835 8.3835 8.5382 8.5382 8.6833 8.6833 k = 0.5956 0.2638-0.2505 ( 5307 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.2965 -13.2965 -12.5950 -12.5950 -12.1271 -12.1271 -11.4146 -11.4146 -10.8346 -10.8346 -10.6475 -10.6475 -4.8368 -4.8368 -4.6328 -4.6328 -4.1724 -4.1724 -3.8485 -3.8485 -2.8277 -2.8277 -2.3269 -2.3269 -2.0760 -2.0760 0.0993 0.0993 1.9211 1.9211 2.3670 2.3670 2.5963 2.5963 2.8251 2.8251 3.3652 3.3652 3.8502 3.8502 4.2007 4.2007 4.3284 4.3284 4.7689 4.7689 5.4464 5.4464 5.6043 5.6043 5.9801 5.9801 6.0518 6.0518 6.3627 6.3627 6.5526 6.5526 6.7534 6.7534 7.1377 7.1377 8.1053 8.1053 8.1592 8.1592 8.4540 8.4540 8.5436 8.5436 8.6922 8.6922 k = 0.5912 0.2618-0.2326 ( 5317 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3543 -34.3543 -13.3238 -13.3238 -12.5808 -12.5808 -12.1297 -12.1297 -11.3664 -11.3664 -10.8302 -10.8302 -10.6862 -10.6862 -4.8270 -4.8270 -4.6333 -4.6333 -4.1698 -4.1698 -3.7961 -3.7961 -2.8296 -2.8296 -2.3337 -2.3337 -2.0601 -2.0601 0.0361 0.0361 1.9029 1.9029 2.3127 2.3127 2.5312 2.5312 2.8339 2.8339 3.3564 3.3564 3.8285 3.8285 4.2235 4.2235 4.3103 4.3103 4.7456 4.7456 5.4562 5.4562 5.6259 5.6259 5.9998 5.9998 6.0671 6.0671 6.3673 6.3673 6.5264 6.5264 6.7649 6.7649 7.1518 7.1518 8.1499 8.1499 8.2113 8.2113 8.5239 8.5239 8.5515 8.5515 8.7011 8.7011 k = 0.5869 0.2599-0.2146 ( 5313 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.3507 -13.3507 -12.5647 -12.5647 -12.1323 -12.1323 -11.3195 -11.3195 -10.8272 -10.8272 -10.7241 -10.7241 -4.8174 -4.8174 -4.6343 -4.6343 -4.1679 -4.1679 -3.7408 -3.7408 -2.8312 -2.8312 -2.3415 -2.3415 -2.0432 -2.0432 -0.0249 -0.0249 1.8777 1.8777 2.2589 2.2589 2.4672 2.4672 2.8432 2.8432 3.3430 3.3430 3.8051 3.8051 4.2452 4.2452 4.3019 4.3019 4.7250 4.7250 5.4670 5.4670 5.6468 5.6468 6.0170 6.0170 6.0778 6.0778 6.3712 6.3712 6.5024 6.5024 6.7804 6.7804 7.1673 7.1673 8.1919 8.1919 8.2624 8.2624 8.5518 8.5518 8.6023 8.6023 8.7105 8.7105 k = 0.5825 0.2580-0.1966 ( 5312 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.3772 -13.3772 -12.5469 -12.5469 -12.1348 -12.1348 -11.2743 -11.2743 -10.8282 -10.8282 -10.7582 -10.7582 -4.8079 -4.8079 -4.6357 -4.6357 -4.1666 -4.1666 -3.6833 -3.6833 -2.8326 -2.8326 -2.3501 -2.3501 -2.0256 -2.0256 -0.0835 -0.0835 1.8459 1.8459 2.2060 2.2060 2.4044 2.4044 2.8527 2.8527 3.3249 3.3249 3.7815 3.7815 4.2646 4.2646 4.3036 4.3036 4.7064 4.7064 5.4784 5.4784 5.6670 5.6670 6.0318 6.0318 6.0847 6.0847 6.3735 6.3735 6.4804 6.4804 6.7999 6.7999 7.1840 7.1840 8.2322 8.2322 8.3118 8.3118 8.5587 8.5587 8.6718 8.6718 8.7223 8.7223 k = 0.5782 0.2561-0.1787 ( 5318 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3543 -34.3543 -13.4029 -13.4029 -12.5275 -12.5275 -12.1373 -12.1373 -11.2311 -11.2311 -10.8407 -10.8407 -10.7805 -10.7805 -4.7985 -4.7985 -4.6375 -4.6375 -4.1658 -4.1658 -3.6240 -3.6240 -2.8336 -2.8336 -2.3594 -2.3594 -2.0076 -2.0076 -0.1393 -0.1393 1.8080 1.8080 2.1543 2.1543 2.3431 2.3431 2.8621 2.8621 3.3026 3.3026 3.7593 3.7593 4.2806 4.2806 4.3151 4.3151 4.6890 4.6890 5.4904 5.4904 5.6866 5.6866 6.0446 6.0446 6.0889 6.0889 6.3737 6.3737 6.4603 6.4603 6.8227 6.8227 7.2019 7.2019 8.2708 8.2708 8.3594 8.3594 8.5650 8.5650 8.7160 8.7160 8.7594 8.7594 k = 0.5738 0.2542-0.1607 ( 5314 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.4279 -13.4279 -12.5068 -12.5068 -12.1398 -12.1398 -11.1909 -11.1909 -10.8683 -10.8683 -10.7867 -10.7867 -4.7894 -4.7894 -4.6396 -4.6396 -4.1652 -4.1652 -3.5634 -3.5634 -2.8342 -2.8342 -2.3692 -2.3692 -1.9895 -1.9895 -0.1922 -0.1922 1.7648 1.7648 2.1040 2.1040 2.2831 2.2831 2.8714 2.8714 3.2768 3.2768 3.7393 3.7393 4.2952 4.2952 4.3329 4.3329 4.6728 4.6728 5.5028 5.5028 5.7057 5.7057 6.0554 6.0554 6.0914 6.0914 6.3718 6.3718 6.4416 6.4416 6.8481 6.8481 7.2205 7.2205 8.3080 8.3080 8.4050 8.4050 8.5715 8.5715 8.7286 8.7286 8.8269 8.8269 k = 0.5695 0.2522-0.1427 ( 5318 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3543 -34.3543 -13.4518 -13.4518 -12.4848 -12.4848 -12.1422 -12.1422 -11.1549 -11.1549 -10.9012 -10.9012 -10.7853 -10.7853 -4.7805 -4.7805 -4.6418 -4.6418 -4.1648 -4.1648 -3.5021 -3.5021 -2.8345 -2.8345 -2.3793 -2.3793 -1.9716 -1.9716 -0.2418 -0.2418 1.7172 1.7172 2.0554 2.0554 2.2245 2.2245 2.8805 2.8805 3.2485 3.2485 3.7219 3.7219 4.3108 4.3108 4.3532 4.3532 4.6572 4.6572 5.5154 5.5154 5.7242 5.7242 6.0642 6.0642 6.0937 6.0937 6.3677 6.3677 6.4241 6.4241 6.8754 6.8754 7.2398 7.2398 8.3437 8.3437 8.4485 8.4485 8.5780 8.5780 8.7372 8.7372 8.8965 8.8965 k = 0.5652 0.2503-0.1248 ( 5312 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.4747 -13.4747 -12.4618 -12.4618 -12.1446 -12.1446 -11.1259 -11.1259 -10.9313 -10.9313 -10.7814 -10.7814 -4.7720 -4.7720 -4.6443 -4.6443 -4.1646 -4.1646 -3.4405 -3.4405 -2.8345 -2.8345 -2.3896 -2.3896 -1.9540 -1.9540 -0.2882 -0.2882 1.6662 1.6662 2.0086 2.0086 2.1672 2.1672 2.8892 2.8892 3.2189 3.2189 3.7071 3.7071 4.3280 4.3280 4.3740 4.3740 4.6421 4.6421 5.5280 5.5280 5.7422 5.7422 6.0704 6.0704 6.0972 6.0972 6.3618 6.3618 6.4074 6.4074 6.9035 6.9035 7.2593 7.2593 8.3778 8.3778 8.4899 8.4899 8.5845 8.5845 8.7449 8.7449 8.9646 8.9646 k = 0.5608 0.2484-0.1068 ( 5302 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.4965 -13.4965 -12.4378 -12.4378 -12.1468 -12.1468 -11.1099 -11.1099 -10.9512 -10.9512 -10.7766 -10.7766 -4.7637 -4.7637 -4.6468 -4.6468 -4.1645 -4.1645 -3.3793 -3.3793 -2.8341 -2.8341 -2.4002 -2.4002 -1.9370 -1.9370 -0.3309 -0.3309 1.6127 1.6127 1.9639 1.9639 2.1114 2.1114 2.8977 2.8977 3.1889 3.1889 3.6948 3.6948 4.3465 4.3465 4.3946 4.3946 4.6276 4.6276 5.5405 5.5405 5.7596 5.7596 6.0735 6.0735 6.1032 6.1032 6.3544 6.3544 6.3913 6.3913 6.9318 6.9318 7.2788 7.2788 8.4103 8.4103 8.5290 8.5290 8.5911 8.5911 8.7520 8.7520 9.0303 9.0303 k = 0.5565 0.2465-0.0889 ( 5297 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.5170 -13.5170 -12.4132 -12.4132 -12.1490 -12.1490 -11.1137 -11.1137 -10.9536 -10.9536 -10.7713 -10.7713 -4.7559 -4.7559 -4.6493 -4.6493 -4.1644 -4.1644 -3.3188 -3.3188 -2.8334 -2.8334 -2.4107 -2.4107 -1.9209 -1.9209 -0.3699 -0.3699 1.5576 1.5576 1.9213 1.9213 2.0573 2.0573 2.9056 2.9056 3.1594 3.1594 3.6847 3.6847 4.3658 4.3658 4.4146 4.4146 4.6135 4.6135 5.5527 5.5527 5.7767 5.7767 6.0742 6.0742 6.1115 6.1115 6.3456 6.3456 6.3757 6.3757 6.9596 6.9596 7.2981 7.2981 8.4411 8.4411 8.5659 8.5659 8.5977 8.5977 8.7588 8.7588 9.0931 9.0931 k = 0.5521 0.2445-0.0709 ( 5293 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.5362 -13.5362 -12.3880 -12.3880 -12.1510 -12.1510 -11.1353 -11.1353 -10.9402 -10.9402 -10.7658 -10.7658 -4.7486 -4.7486 -4.6518 -4.6518 -4.1645 -4.1645 -3.2595 -3.2595 -2.8323 -2.8323 -2.4213 -2.4213 -1.9057 -1.9057 -0.4052 -0.4052 1.5017 1.5017 1.8810 1.8810 2.0052 2.0052 2.9132 2.9132 3.1310 3.1310 3.6763 3.6763 4.3853 4.3853 4.4338 4.4338 4.6001 4.6001 5.5644 5.5644 5.7936 5.7936 6.0737 6.0737 6.1209 6.1209 6.3355 6.3355 6.3608 6.3608 6.9863 6.9863 7.3168 7.3168 8.4701 8.4701 8.5992 8.5992 8.6054 8.6054 8.7653 8.7653 9.1526 9.1526 k = 0.5478 0.2426-0.0529 ( 5295 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.5540 -13.5540 -12.3625 -12.3625 -12.1529 -12.1529 -11.1662 -11.1662 -10.9192 -10.9192 -10.7602 -10.7602 -4.7417 -4.7417 -4.6541 -4.6541 -4.1645 -4.1645 -3.2022 -3.2022 -2.8310 -2.8310 -2.4317 -2.4317 -1.8916 -1.8916 -0.4365 -0.4365 1.4459 1.4459 1.8431 1.8431 1.9556 1.9556 2.9202 2.9202 3.1042 3.1042 3.6695 3.6695 4.4044 4.4044 4.4518 4.4518 4.5874 4.5874 5.5755 5.5755 5.8105 5.8105 6.0727 6.0727 6.1305 6.1305 6.3241 6.3241 6.3470 6.3470 7.0116 7.0116 7.3347 7.3347 8.4971 8.4971 8.6098 8.6098 8.6332 8.6332 8.7714 8.7714 9.2085 9.2085 k = 0.5434 0.2407-0.0350 ( 5293 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.5704 -13.5704 -12.3369 -12.3369 -12.1547 -12.1547 -11.2008 -11.2008 -10.8963 -10.8963 -10.7544 -10.7544 -4.7355 -4.7355 -4.6563 -4.6563 -4.1646 -4.1646 -3.1472 -3.1472 -2.8293 -2.8293 -2.4420 -2.4420 -1.8788 -1.8788 -0.4640 -0.4640 1.3911 1.3911 1.8078 1.8078 1.9088 1.9088 2.9267 2.9267 3.0793 3.0793 3.6639 3.6639 4.4226 4.4226 4.4685 4.4685 4.5758 4.5758 5.5859 5.5859 5.8276 5.8276 6.0717 6.0717 6.1397 6.1397 6.3114 6.3114 6.3349 6.3349 7.0350 7.0350 7.3517 7.3517 8.5222 8.5222 8.6159 8.6159 8.6627 8.6627 8.7772 8.7772 9.2605 9.2605 k = 0.5391 0.2388-0.0170 ( 5285 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4019 -34.4019 -34.3542 -34.3542 -13.5854 -13.5854 -12.3115 -12.3115 -12.1563 -12.1563 -11.2363 -11.2363 -10.8741 -10.8741 -10.7484 -10.7484 -4.7299 -4.7299 -4.6581 -4.6581 -4.1646 -4.1646 -3.0952 -3.0952 -2.8273 -2.8273 -2.4520 -2.4520 -1.8673 -1.8673 -0.4877 -0.4877 1.3379 1.3379 1.7750 1.7750 1.8655 1.8655 2.9326 2.9326 3.0566 3.0566 3.6594 3.6594 4.4394 4.4394 4.4836 4.4836 4.5656 4.5656 5.5955 5.5955 5.8451 5.8451 6.0708 6.0708 6.1475 6.1475 6.2978 6.2978 6.3245 6.3245 7.0565 7.0565 7.3676 7.3676 8.5451 8.5451 8.6216 8.6216 8.6898 8.6898 8.7826 8.7826 9.3082 9.3082 k = 0.5348 0.2368 0.0009 ( 5283 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.5989 -13.5989 -12.2866 -12.2866 -12.1577 -12.1577 -11.2712 -11.2712 -10.8537 -10.8537 -10.7423 -10.7423 -4.7250 -4.7250 -4.6597 -4.6597 -4.1647 -4.1647 -3.0468 -3.0468 -2.8249 -2.8249 -2.4617 -2.4617 -1.8572 -1.8572 -0.5077 -0.5077 1.2873 1.2873 1.7449 1.7449 1.8260 1.8260 2.9380 2.9380 3.0361 3.0361 3.6557 3.6557 4.4543 4.4543 4.4966 4.4966 4.5574 4.5574 5.6041 5.6041 5.8632 5.8632 6.0700 6.0700 6.1528 6.1528 6.2847 6.2847 6.3157 6.3157 7.0758 7.0758 7.3821 7.3821 8.5659 8.5659 8.6269 8.6269 8.7142 8.7142 8.7876 8.7876 9.3515 9.3516 k = 0.5304 0.2349 0.0189 ( 5277 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6108 -13.6108 -12.2627 -12.2627 -12.1589 -12.1589 -11.3046 -11.3046 -10.8358 -10.8358 -10.7359 -10.7359 -4.7209 -4.7209 -4.6609 -4.6609 -4.1648 -4.1648 -3.0027 -3.0027 -2.8220 -2.8220 -2.4710 -2.4710 -1.8485 -1.8485 -0.5243 -0.5243 1.2401 1.2401 1.7176 1.7176 1.7909 1.7909 2.9428 2.9428 3.0180 3.0180 3.6529 3.6529 4.4667 4.4667 4.5071 4.5071 4.5523 4.5523 5.6119 5.6119 5.8819 5.8819 6.0694 6.0694 6.1543 6.1543 6.2731 6.2731 6.3084 6.3084 7.0929 7.0929 7.3953 7.3953 8.5843 8.5843 8.6319 8.6319 8.7358 8.7358 8.7922 8.7922 9.3902 9.3902 k = 0.5261 0.2330 0.0369 ( 5277 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6212 -13.6212 -12.2403 -12.2403 -12.1598 -12.1598 -11.3357 -11.3357 -10.8208 -10.8208 -10.7294 -10.7294 -4.7175 -4.7175 -4.6617 -4.6617 -4.1648 -4.1648 -2.9637 -2.9637 -2.8184 -2.8184 -2.4798 -2.4798 -1.8411 -1.8411 -0.5377 -0.5377 1.1969 1.1969 1.6931 1.6931 1.7603 1.7603 2.9469 2.9469 3.0023 3.0023 3.6506 3.6506 4.4759 4.4759 4.5147 4.5147 4.5511 4.5511 5.6185 5.6185 5.9015 5.9015 6.0688 6.0688 6.1509 6.1509 6.2645 6.2645 6.3026 6.3026 7.1076 7.1076 7.4068 7.4068 8.6003 8.6003 8.6363 8.6363 8.7547 8.7547 8.7964 8.7964 9.4238 9.4238 k = 0.5217 0.2311 0.0548 ( 5281 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6301 -13.6301 -12.2199 -12.2199 -12.1604 -12.1604 -11.3638 -11.3638 -10.8088 -10.8088 -10.7229 -10.7229 -4.7148 -4.7148 -4.6622 -4.6622 -4.1648 -4.1648 -2.9307 -2.9307 -2.8138 -2.8138 -2.4878 -2.4878 -1.8350 -1.8350 -0.5482 -0.5482 1.1588 1.1588 1.6716 1.6716 1.7346 1.7346 2.9504 2.9504 2.9890 2.9890 3.6489 3.6489 4.4812 4.4812 4.5202 4.5202 4.5536 4.5536 5.6242 5.6242 5.9216 5.9216 6.0683 6.0683 6.1422 6.1422 6.2590 6.2590 6.2982 6.2982 7.1201 7.1201 7.4168 7.4168 8.6138 8.6138 8.6404 8.6404 8.7707 8.7707 8.8000 8.8000 9.4522 9.4523 k = 0.5174 0.2291 0.0728 ( 5273 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6373 -13.6373 -12.2023 -12.2023 -12.1605 -12.1605 -11.3883 -11.3883 -10.7995 -10.7995 -10.7168 -10.7168 -4.7128 -4.7128 -4.6624 -4.6624 -4.1648 -4.1648 -2.9044 -2.9044 -2.8080 -2.8080 -2.4951 -2.4951 -1.8302 -1.8302 -0.5561 -0.5561 1.1263 1.1263 1.6534 1.6534 1.7137 1.7137 2.9532 2.9532 2.9782 2.9782 3.6476 3.6476 4.4830 4.4830 4.5249 4.5249 4.5580 4.5580 5.6289 5.6289 5.9424 5.9424 6.0677 6.0677 6.1291 6.1291 6.2562 6.2562 6.2953 6.2953 7.1302 7.1302 7.4250 7.4250 8.6246 8.6246 8.6441 8.6441 8.7838 8.7838 8.8032 8.8032 9.4750 9.4752 k = 0.5130 0.2272 0.0908 ( 5279 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6430 -13.6430 -12.1885 -12.1885 -12.1599 -12.1599 -11.4083 -11.4083 -10.7927 -10.7927 -10.7115 -10.7115 -4.7114 -4.7114 -4.6624 -4.6624 -4.1648 -4.1648 -2.8855 -2.8855 -2.8011 -2.8011 -2.5012 -2.5012 -1.8266 -1.8266 -0.5619 -0.5619 1.1003 1.1003 1.6388 1.6388 1.6977 1.6977 2.9552 2.9552 2.9699 2.9699 3.6466 3.6466 4.4826 4.4826 4.5293 4.5293 4.5624 4.5624 5.6325 5.6325 5.9632 5.9632 6.0666 6.0666 6.1134 6.1134 6.2548 6.2548 6.2936 6.2936 7.1381 7.1381 7.4314 7.4314 8.6326 8.6326 8.6475 8.6475 8.7937 8.7937 8.8060 8.8060 9.4916 9.4917 k = 0.5087 0.2253 0.1087 ( 5275 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6471 -13.6471 -12.1793 -12.1793 -12.1581 -12.1581 -11.4232 -11.4232 -10.7881 -10.7881 -10.7074 -10.7074 -4.7105 -4.7105 -4.6624 -4.6624 -4.1648 -4.1648 -2.8734 -2.8734 -2.7943 -2.7943 -2.5059 -2.5059 -1.8240 -1.8240 -0.5657 -0.5657 1.0812 1.0812 1.6281 1.6281 1.6864 1.6864 2.9562 2.9562 2.9645 2.9645 3.6460 3.6460 4.4815 4.4815 4.5328 4.5328 4.5661 4.5661 5.6351 5.6351 5.9835 5.9835 6.0641 6.0641 6.0978 6.0978 6.2541 6.2541 6.2928 6.2928 7.1437 7.1437 7.4361 7.4361 8.6378 8.6378 8.6504 8.6504 8.8004 8.8004 8.8085 8.8085 9.5019 9.5020 k = 0.5043 0.2234 0.1267 ( 5278 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6495 -13.6495 -12.1748 -12.1748 -12.1557 -12.1557 -11.4324 -11.4324 -10.7855 -10.7855 -10.7048 -10.7048 -4.7099 -4.7099 -4.6623 -4.6623 -4.1649 -4.1649 -2.8669 -2.8669 -2.7891 -2.7891 -2.5089 -2.5089 -1.8225 -1.8225 -0.5679 -0.5679 1.0696 1.0696 1.6216 1.6216 1.6796 1.6796 2.9560 2.9560 2.9620 2.9620 3.6456 3.6456 4.4805 4.4805 4.5351 4.5351 4.5684 4.5684 5.6366 5.6366 6.0012 6.0012 6.0588 6.0588 6.0866 6.0866 6.2537 6.2537 6.2926 6.2926 7.1470 7.1470 7.4389 7.4389 8.6405 8.6405 8.6526 8.6526 8.8038 8.8038 8.8106 8.8106 9.5069 9.5069 k = 0.5000 0.2214 0.1446 ( 5268 PWs) bands (ev): -67.7229 -67.7229 -34.6710 -34.6710 -34.4018 -34.4018 -34.3542 -34.3542 -13.6503 -13.6503 -12.1736 -12.1736 -12.1546 -12.1546 -11.4355 -11.4355 -10.7847 -10.7847 -10.7039 -10.7039 -4.7098 -4.7098 -4.6623 -4.6623 -4.1648 -4.1648 -2.8649 -2.8649 -2.7872 -2.7872 -2.5099 -2.5099 -1.8220 -1.8220 -0.5686 -0.5686 1.0657 1.0657 1.6194 1.6194 1.6774 1.6774 2.9557 2.9557 2.9615 2.9615 3.6455 3.6455 4.4801 4.4801 4.5359 4.5359 4.5691 4.5691 5.6372 5.6372 6.0097 6.0097 6.0543 6.0543 6.0831 6.0831 6.2537 6.2537 6.2926 6.2926 7.1482 7.1482 7.4398 7.4398 8.6414 8.6414 8.6534 8.6534 8.8048 8.8048 8.8115 8.8115 9.5083 9.5083 k = 0.5000-0.4537-0.2964 ( 5318 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.0291 -13.0291 -12.4672 -12.4672 -12.1521 -12.1521 -12.1051 -12.1051 -10.8794 -10.8794 -10.2359 -10.2359 -4.9471 -4.9471 -4.6536 -4.6536 -4.2885 -4.2885 -4.1243 -4.1243 -2.8133 -2.8133 -2.2926 -2.2926 -2.1509 -2.1509 0.6942 0.6942 1.7294 1.7294 2.5558 2.5558 2.6787 2.6787 3.0665 3.0665 3.6372 3.6372 3.8791 3.8791 3.9543 3.9543 4.8729 4.8729 5.1485 5.1485 5.5890 5.5890 5.6430 5.6430 5.6965 5.6965 5.8853 5.8853 6.3966 6.3966 6.7006 6.7006 6.9973 6.9973 7.3656 7.3656 7.4109 7.4109 7.6894 7.6894 7.8069 7.8069 8.4971 8.4971 8.6419 8.6419 k = 0.5137-0.4432-0.2895 ( 5321 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -13.0292 -13.0292 -12.4676 -12.4676 -12.1514 -12.1514 -12.1051 -12.1051 -10.8794 -10.8794 -10.2361 -10.2361 -4.9471 -4.9471 -4.6536 -4.6536 -4.2886 -4.2886 -4.1243 -4.1243 -2.8133 -2.8133 -2.2927 -2.2927 -2.1509 -2.1509 0.6950 0.6950 1.7289 1.7289 2.5576 2.5576 2.6789 2.6789 3.0662 3.0662 3.6375 3.6375 3.8793 3.8793 3.9538 3.9538 4.8723 4.8723 5.1487 5.1487 5.5891 5.5891 5.6423 5.6423 5.6952 5.6952 5.8854 5.8854 6.3965 6.3965 6.7008 6.7008 6.9973 6.9973 7.3661 7.3661 7.4091 7.4091 7.6890 7.6890 7.8068 7.8068 8.4971 8.4971 8.6418 8.6418 k = 0.5273-0.4327-0.2826 ( 5321 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -13.0295 -13.0295 -12.4688 -12.4688 -12.1494 -12.1494 -12.1051 -12.1051 -10.8795 -10.8795 -10.2368 -10.2368 -4.9470 -4.9470 -4.6538 -4.6538 -4.2888 -4.2888 -4.1242 -4.1242 -2.8131 -2.8131 -2.2930 -2.2930 -2.1511 -2.1511 0.6974 0.6974 1.7274 1.7274 2.5628 2.5628 2.6792 2.6792 3.0653 3.0653 3.6386 3.6386 3.8801 3.8801 3.9523 3.9523 4.8705 4.8705 5.1491 5.1491 5.5891 5.5891 5.6401 5.6401 5.6916 5.6916 5.8857 5.8857 6.3963 6.3963 6.7016 6.7016 6.9971 6.9971 7.3676 7.3676 7.4041 7.4041 7.6880 7.6880 7.8066 7.8066 8.4972 8.4972 8.6414 8.6414 k = 0.5410-0.4221-0.2757 ( 5318 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -13.0299 -13.0299 -12.4708 -12.4708 -12.1461 -12.1461 -12.1051 -12.1051 -10.8795 -10.8795 -10.2379 -10.2379 -4.9470 -4.9470 -4.6540 -4.6540 -4.2892 -4.2892 -4.1241 -4.1241 -2.8129 -2.8129 -2.2934 -2.2934 -2.1513 -2.1513 0.7014 0.7014 1.7251 1.7251 2.5715 2.5715 2.6798 2.6798 3.0638 3.0638 3.6405 3.6405 3.8814 3.8814 3.9498 3.9498 4.8676 4.8676 5.1498 5.1498 5.5892 5.5892 5.6365 5.6365 5.6858 5.6858 5.8860 5.8860 6.3960 6.3960 6.7027 6.7027 6.9968 6.9968 7.3693 7.3693 7.3966 7.3966 7.6862 7.6862 7.8062 7.8062 8.4973 8.4973 8.6408 8.6408 k = 0.5546-0.4116-0.2688 ( 5317 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -13.0306 -13.0306 -12.4734 -12.4734 -12.1415 -12.1415 -12.1050 -12.1050 -10.8796 -10.8796 -10.2394 -10.2394 -4.9469 -4.9469 -4.6543 -4.6543 -4.2897 -4.2897 -4.1239 -4.1239 -2.8126 -2.8126 -2.2941 -2.2941 -2.1516 -2.1516 0.7069 0.7069 1.7220 1.7220 2.5834 2.5834 2.6807 2.6807 3.0617 3.0617 3.6429 3.6429 3.8833 3.8833 3.9463 3.9463 4.8634 4.8634 5.1508 5.1508 5.5894 5.5894 5.6315 5.6315 5.6780 5.6780 5.8861 5.8861 6.3956 6.3956 6.7044 6.7044 6.9963 6.9963 7.3675 7.3675 7.3903 7.3903 7.6839 7.6839 7.8057 7.8057 8.4975 8.4975 8.6399 8.6399 k = 0.5683-0.4010-0.2619 ( 5323 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -13.0314 -13.0314 -12.4767 -12.4767 -12.1358 -12.1358 -12.1050 -12.1050 -10.8797 -10.8797 -10.2414 -10.2414 -4.9468 -4.9468 -4.6547 -4.6547 -4.2904 -4.2904 -4.1237 -4.1237 -2.8122 -2.8122 -2.2949 -2.2949 -2.1519 -2.1519 0.7137 0.7137 1.7183 1.7183 2.5982 2.5982 2.6818 2.6818 3.0590 3.0590 3.6459 3.6459 3.8857 3.8857 3.9420 3.9420 4.8579 4.8579 5.1521 5.1521 5.5896 5.5896 5.6252 5.6252 5.6685 5.6685 5.8859 5.8859 6.3951 6.3951 6.7064 6.7064 6.9955 6.9955 7.3569 7.3569 7.3909 7.3909 7.6812 7.6812 7.8051 7.8051 8.4977 8.4977 8.6388 8.6388 k = 0.5819-0.3905-0.2550 ( 5326 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -13.0325 -13.0325 -12.4805 -12.4805 -12.1290 -12.1290 -12.1049 -12.1049 -10.8799 -10.8799 -10.2437 -10.2437 -4.9466 -4.9466 -4.6551 -4.6551 -4.2912 -4.2912 -4.1234 -4.1234 -2.8117 -2.8117 -2.2961 -2.2961 -2.1522 -2.1522 0.7217 0.7217 1.7143 1.7143 2.6157 2.6157 2.6831 2.6831 3.0558 3.0558 3.6493 3.6493 3.8885 3.8885 3.9371 3.9371 4.8512 4.8512 5.1539 5.1539 5.5898 5.5898 5.6176 5.6176 5.6578 5.6578 5.8851 5.8851 6.3945 6.3945 6.7089 6.7089 6.9943 6.9943 7.3396 7.3396 7.3964 7.3964 7.6781 7.6781 7.8044 7.8044 8.4979 8.4979 8.6375 8.6375 k = 0.5956-0.3799-0.2482 ( 5325 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -13.0337 -13.0337 -12.4848 -12.4848 -12.1212 -12.1212 -12.1048 -12.1048 -10.8800 -10.8800 -10.2465 -10.2465 -4.9464 -4.9464 -4.6557 -4.6557 -4.2921 -4.2921 -4.1230 -4.1230 -2.8111 -2.8111 -2.2975 -2.2975 -2.1523 -2.1523 0.7308 0.7308 1.7101 1.7101 2.6354 2.6354 2.6849 2.6849 3.0520 3.0520 3.6529 3.6529 3.8918 3.8918 3.9317 3.9317 4.8432 4.8432 5.1560 5.1560 5.5900 5.5900 5.6088 5.6088 5.6462 5.6462 5.8837 5.8837 6.3937 6.3937 6.7117 6.7117 6.9925 6.9925 7.3188 7.3188 7.4039 7.4039 7.6750 7.6750 7.8036 7.8036 8.4982 8.4982 8.6359 8.6359 k = 0.6092-0.3694-0.2413 ( 5333 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0351 -13.0351 -12.4895 -12.4895 -12.1128 -12.1128 -12.1045 -12.1045 -10.8802 -10.8802 -10.2496 -10.2496 -4.9462 -4.9462 -4.6563 -4.6563 -4.2931 -4.2931 -4.1226 -4.1226 -2.8105 -2.8105 -2.2993 -2.2993 -2.1523 -2.1523 0.7407 0.7407 1.7061 1.7061 2.6562 2.6562 2.6878 2.6878 3.0478 3.0478 3.6564 3.6564 3.8954 3.8954 3.9263 3.9263 4.8339 4.8339 5.1584 5.1584 5.5893 5.5893 5.5997 5.5997 5.6341 5.6341 5.8814 5.8814 6.3928 6.3928 6.7149 6.7149 6.9898 6.9898 7.2956 7.2956 7.4126 7.4126 7.6717 7.6717 7.8029 7.8029 8.4986 8.4986 8.6342 8.6342 k = 0.6229-0.3588-0.2344 ( 5337 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0366 -13.0366 -12.4944 -12.4944 -12.1059 -12.1059 -12.1019 -12.1019 -10.8803 -10.8803 -10.2530 -10.2530 -4.9460 -4.9460 -4.6569 -4.6569 -4.2941 -4.2941 -4.1220 -4.1220 -2.8098 -2.8098 -2.3014 -2.3014 -2.1521 -2.1521 0.7511 0.7511 1.7025 1.7025 2.6737 2.6737 2.6959 2.6959 3.0430 3.0430 3.6595 3.6595 3.8988 3.8988 3.9215 3.9215 4.8235 4.8235 5.1613 5.1613 5.5840 5.5840 5.5937 5.5937 5.6221 5.6221 5.8781 5.8781 6.3919 6.3919 6.7185 6.7185 6.9860 6.9860 7.2711 7.2711 7.4220 7.4220 7.6686 7.6686 7.8024 7.8024 8.4990 8.4990 8.6322 8.6322 k = 0.6365-0.3483-0.2275 ( 5332 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0384 -13.0384 -12.4996 -12.4996 -12.1050 -12.1050 -12.0926 -12.0926 -10.8805 -10.8805 -10.2568 -10.2568 -4.9458 -4.9458 -4.6576 -4.6576 -4.2952 -4.2952 -4.1213 -4.1213 -2.8090 -2.8090 -2.3039 -2.3039 -2.1516 -2.1516 0.7619 0.7619 1.6995 1.6995 2.6810 2.6810 2.7157 2.7157 3.0379 3.0379 3.6619 3.6619 3.9010 3.9010 3.9190 3.9190 4.8118 4.8118 5.1645 5.1645 5.5728 5.5728 5.5912 5.5912 5.6115 5.6115 5.8737 5.8737 6.3908 6.3908 6.7223 6.7223 6.9807 6.9807 7.2460 7.2460 7.4319 7.4319 7.6658 7.6658 7.8021 7.8021 8.4994 8.4994 8.6302 8.6302 k = 0.6502-0.3378-0.2206 ( 5327 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -13.0404 -13.0404 -12.5049 -12.5049 -12.1048 -12.1048 -12.0820 -12.0820 -10.8807 -10.8807 -10.2609 -10.2609 -4.9456 -4.9456 -4.6583 -4.6583 -4.2963 -4.2963 -4.1205 -4.1205 -2.8081 -2.8081 -2.3068 -2.3068 -2.1508 -2.1508 0.7727 0.7727 1.6974 1.6974 2.6835 2.6835 2.7415 2.7415 3.0323 3.0323 3.6630 3.6630 3.9004 3.9004 3.9204 3.9204 4.7992 4.7992 5.1681 5.1681 5.5599 5.5599 5.5852 5.5852 5.6056 5.6056 5.8682 5.8682 6.3897 6.3897 6.7264 6.7264 6.9736 6.9736 7.2212 7.2212 7.4420 7.4420 7.6635 7.6635 7.8022 7.8022 8.5000 8.5000 8.6280 8.6280 k = 0.6638-0.3272-0.2137 ( 5329 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0425 -13.0425 -12.5103 -12.5103 -12.1047 -12.1047 -12.0708 -12.0708 -10.8809 -10.8809 -10.2653 -10.2653 -4.9453 -4.9453 -4.6590 -4.6590 -4.2973 -4.2973 -4.1196 -4.1196 -2.8072 -2.8072 -2.3100 -2.3100 -2.1498 -2.1498 0.7832 0.7832 1.6963 1.6963 2.6847 2.6847 2.7694 2.7694 3.0264 3.0264 3.6623 3.6623 3.8983 3.8983 3.9253 3.9253 4.7857 4.7857 5.1719 5.1719 5.5459 5.5459 5.5747 5.5747 5.6049 5.6049 5.8615 5.8615 6.3884 6.3884 6.7307 6.7307 6.9641 6.9641 7.1977 7.1977 7.4521 7.4521 7.6617 7.6617 7.8030 7.8030 8.5006 8.5006 8.6256 8.6256 k = 0.6775-0.3167-0.2068 ( 5330 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -13.0448 -13.0448 -12.5157 -12.5157 -12.1046 -12.1046 -12.0592 -12.0592 -10.8810 -10.8810 -10.2699 -10.2699 -4.9450 -4.9450 -4.6597 -4.6597 -4.2984 -4.2984 -4.1186 -4.1186 -2.8063 -2.8063 -2.3136 -2.3136 -2.1483 -2.1483 0.7931 0.7931 1.6965 1.6965 2.6852 2.6852 2.7981 2.7981 3.0203 3.0203 3.6594 3.6594 3.8966 3.8966 3.9321 3.9321 4.7717 4.7717 5.1759 5.1759 5.5313 5.5313 5.5624 5.5624 5.6066 5.6066 5.8534 5.8534 6.3871 6.3871 6.7352 6.7352 6.9520 6.9520 7.1763 7.1763 7.4619 7.4619 7.6607 7.6607 7.8044 7.8044 8.5012 8.5012 8.6231 8.6231 k = 0.6911-0.3061-0.1999 ( 5328 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -13.0473 -13.0473 -12.5211 -12.5211 -12.1045 -12.1045 -12.0472 -12.0472 -10.8812 -10.8812 -10.2747 -10.2747 -4.9447 -4.9447 -4.6604 -4.6604 -4.2993 -4.2993 -4.1175 -4.1175 -2.8053 -2.8053 -2.3175 -2.3175 -2.1465 -2.1465 0.8022 0.8022 1.6981 1.6981 2.6851 2.6851 2.8273 2.8273 3.0139 3.0139 3.6538 3.6538 3.8964 3.8964 3.9400 3.9400 4.7573 4.7573 5.1800 5.1800 5.5161 5.5161 5.5496 5.5496 5.6095 5.6095 5.8441 5.8441 6.3856 6.3856 6.7399 6.7399 6.9372 6.9372 7.1577 7.1577 7.4711 7.4711 7.6608 7.6608 7.8066 7.8066 8.5020 8.5020 8.6206 8.6206 k = 0.7048-0.2956-0.1931 ( 5322 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -13.0500 -13.0500 -12.5265 -12.5265 -12.1044 -12.1044 -12.0348 -12.0348 -10.8813 -10.8813 -10.2797 -10.2797 -4.9443 -4.9443 -4.6611 -4.6611 -4.3002 -4.3002 -4.1163 -4.1163 -2.8042 -2.8042 -2.3216 -2.3216 -2.1444 -2.1444 0.8100 0.8100 1.7012 1.7012 2.6845 2.6845 2.8564 2.8564 3.0073 3.0073 3.6452 3.6452 3.8980 3.8980 3.9490 3.9490 4.7429 4.7429 5.1840 5.1840 5.5005 5.5005 5.5367 5.5367 5.6133 5.6133 5.8335 5.8335 6.3841 6.3841 6.7447 6.7447 6.9197 6.9197 7.1423 7.1423 7.4796 7.4796 7.6619 7.6619 7.8097 7.8097 8.5028 8.5028 8.6180 8.6180 k = 0.7184-0.2850-0.1862 ( 5324 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4020 -34.4020 -34.3542 -34.3542 -13.0528 -13.0528 -12.5318 -12.5318 -12.1044 -12.1044 -12.0223 -12.0223 -10.8815 -10.8815 -10.2849 -10.2849 -4.9439 -4.9439 -4.6617 -4.6617 -4.3009 -4.3009 -4.1149 -4.1149 -2.8032 -2.8032 -2.3260 -2.3260 -2.1419 -2.1419 0.8164 0.8164 1.7059 1.7059 2.6834 2.6834 2.8848 2.8848 3.0009 3.0009 3.6337 3.6337 3.9016 3.9016 3.9589 3.9589 4.7288 4.7288 5.1880 5.1880 5.4845 5.4845 5.5238 5.5238 5.6178 5.6178 5.8216 5.8216 6.3825 6.3825 6.7496 6.7496 6.9002 6.9002 7.1301 7.1301 7.4873 7.4873 7.6644 7.6644 7.8137 7.8137 8.5037 8.5037 8.6153 8.6153 k = 0.7321-0.2745-0.1793 ( 5321 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.0559 -13.0559 -12.5369 -12.5369 -12.1043 -12.1043 -12.0095 -12.0095 -10.8816 -10.8816 -10.2902 -10.2902 -4.9435 -4.9435 -4.6622 -4.6622 -4.3015 -4.3015 -4.1135 -4.1135 -2.8021 -2.8021 -2.3305 -2.3305 -2.1391 -2.1391 0.8211 0.8211 1.7123 1.7123 2.6816 2.6816 2.9116 2.9116 2.9952 2.9952 3.6194 3.6194 3.9069 3.9069 3.9696 3.9696 4.7155 4.7155 5.1916 5.1916 5.4683 5.4683 5.5110 5.5110 5.6232 5.6232 5.8086 5.8086 6.3808 6.3808 6.7545 6.7545 6.8797 6.8797 7.1207 7.1207 7.4941 7.4941 7.6681 7.6681 7.8186 7.8186 8.5047 8.5047 8.6126 8.6126 k = 0.7457-0.2639-0.1724 ( 5322 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.0591 -13.0591 -12.5419 -12.5419 -12.1043 -12.1043 -11.9965 -11.9965 -10.8816 -10.8816 -10.2956 -10.2956 -4.9430 -4.9430 -4.6627 -4.6627 -4.3019 -4.3019 -4.1121 -4.1121 -2.8010 -2.8010 -2.3351 -2.3351 -2.1361 -2.1361 0.8239 0.8239 1.7204 1.7204 2.6793 2.6793 2.9348 2.9348 2.9918 2.9918 3.6026 3.6026 3.9135 3.9135 3.9813 3.9813 4.7034 4.7034 5.1949 5.1949 5.4519 5.4519 5.4982 5.4982 5.6294 5.6294 5.7946 5.7946 6.3789 6.3789 6.7594 6.7594 6.8589 6.8589 7.1139 7.1139 7.5001 7.5001 7.6732 7.6732 7.8245 7.8245 8.5058 8.5058 8.6099 8.6099 k = 0.7594-0.2534-0.1655 ( 5324 PWs) bands (ev): -67.7229 -67.7229 -34.6711 -34.6711 -34.4019 -34.4019 -34.3542 -34.3542 -13.0625 -13.0625 -12.5468 -12.5468 -12.1043 -12.1043 -11.9835 -11.9835 -10.8817 -10.8817 -10.3011 -10.3011 -4.9424 -4.9424 -4.6631 -4.6631 -4.3021 -4.3021 -4.1106 -4.1106 -2.7999 -2.7999 -2.3397 -2.3397 -2.1328 -2.1328 0.8246 0.8246 1.7299 1.7299 2.6763 2.6763 2.9495 2.9495 2.9952 2.9952 3.5838 3.5838 3.9212 3.9212 3.9938 3.9938 4.6928 4.6928 5.1977 5.1977 5.4354 5.4354 5.4853 5.4853 5.6363 5.6363 5.7798 5.7798 6.3770 6.3770 6.7642 6.7642 6.8388 6.8388 7.1093 7.1093 7.5054 7.5054 7.6795 7.6795 7.8314 7.8314 8.5070 8.5070 8.6072 8.6072 k = 0.7730-0.2428-0.1586 ( 5326 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0661 -13.0661 -12.5515 -12.5515 -12.1043 -12.1043 -11.9704 -11.9704 -10.8817 -10.8817 -10.3067 -10.3067 -4.9417 -4.9417 -4.6634 -4.6634 -4.3020 -4.3020 -4.1090 -4.1090 -2.7988 -2.7988 -2.3442 -2.3442 -2.1292 -2.1292 0.8231 0.8231 1.7409 1.7409 2.6726 2.6726 2.9517 2.9517 3.0088 3.0088 3.5632 3.5632 3.9294 3.9294 4.0071 4.0071 4.6841 4.6841 5.1999 5.1999 5.4187 5.4187 5.4720 5.4720 5.6441 5.6441 5.7645 5.7645 6.3750 6.3750 6.7688 6.7688 6.8204 6.8204 7.1066 7.1066 7.5103 7.5103 7.6869 7.6869 7.8390 7.8390 8.5083 8.5083 8.6045 8.6045 k = 0.7867-0.2323-0.1517 ( 5326 PWs) bands (ev): -67.7230 -67.7230 -34.6711 -34.6711 -34.4020 -34.4020 -34.3543 -34.3543 -13.0699 -13.0699 -12.5560 -12.5560 -12.1043 -12.1043 -11.9572 -11.9572 -10.8816 -10.8816 -10.3123 -10.3123 -4.9409 -4.9409 -4.6636 -4.6636 -4.3017 -4.3017 -4.1075 -4.1075 -2.7977 -2.7977 -2.3485 -2.3485 -2.1255 -2.1255 0.8194 0.8194 1.7532 1.7532 2.6683 2.6683 2.9469 2.9469 3.0269 3.0269 3.5415 3.5415 3.9379 3.9379 4.0214 4.0214 4.6776 4.6776 5.2015 5.2015 5.4021 5.4021 5.4583 5.4583 5.6527 5.6527 5.7493 5.7493 6.3729 6.3729 6.7728 6.7728 6.8045 6.8045 7.1056 7.1056 7.5151 7.5151 7.6950 7.6950 7.8475 7.8475 8.5097 8.5097 8.6019 8.6019 Writing output data file MgCdxCO3x2.save init_run : 0.74s CPU 1.15s WALL ( 1 calls) electrons : 456.66s CPU 462.88s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.06s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 456.64s CPU 462.87s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.10s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.10s WALL ( 279 calls) cegterg : 432.68s CPU 436.91s WALL ( 657 calls) Called by sum_band: Called by *egterg: h_psi : 259.42s CPU 261.92s WALL ( 12075 calls) s_psi : 11.68s CPU 11.68s WALL ( 12075 calls) g_psi : 0.47s CPU 0.51s WALL ( 11139 calls) cdiaghg : 135.98s CPU 137.76s WALL ( 11418 calls) cegterg:over : 16.92s CPU 17.16s WALL ( 11139 calls) cegterg:upda : 15.41s CPU 15.68s WALL ( 11139 calls) cegterg:last : 8.04s CPU 7.98s WALL ( 1493 calls) cdiaghg:chol : 7.86s CPU 8.00s WALL ( 11418 calls) cdiaghg:inve : 5.65s CPU 5.74s WALL ( 11418 calls) cdiaghg:para : 9.66s CPU 9.67s WALL ( 22836 calls) Called by h_psi: h_psi:vloc : 236.56s CPU 238.92s WALL ( 12075 calls) h_psi:vnl : 22.21s CPU 22.40s WALL ( 12075 calls) add_vuspsi : 10.48s CPU 10.51s WALL ( 12075 calls) General routines calbec : 11.69s CPU 11.86s WALL ( 12075 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 211.18s CPU 213.53s WALL ( 1368872 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.22s CPU 0.41s WALL ( 558 calls) Parallel routines fft_scatter : 57.24s CPU 57.17s WALL ( 1368895 calls) PWSCF : 8m 0.17s CPU 8m44.12s WALL This run was terminated on: 16:25:50 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=