Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20: 7:15 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: ./K2PtS2.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 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 127 48 14 3397 787 126 Max 128 49 15 3399 800 128 Sum 4583 1735 507 122321 28583 4579 bravais-lattice index = 14 lattice parameter (alat) = 11.6034 a.u. unit-cell volume = 803.5887 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.603418 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.829083 celldm(5)= -0.335244 celldm(6)= 0.164327 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.164327 0.986406 0.000000 ) a(3) = ( -0.335244 -0.784660 0.521459 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.166592 0.392218 ) b(2) = ( 0.000000 1.013781 1.525477 ) b(3) = ( 0.000000 0.000000 1.917695 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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 Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc 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 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) K 9.00 39.09830 K( 1.00) Pt 10.00 195.08400 Pt( 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= 368 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 2) = ( -0.0056215 0.0066355 0.0171511), wk = 0.0027174 k( 3) = ( -0.0112431 0.0132710 0.0343021), wk = 0.0027174 k( 4) = ( -0.0168646 0.0199065 0.0514532), wk = 0.0027174 k( 5) = ( -0.0224862 0.0265421 0.0686043), wk = 0.0027174 k( 6) = ( -0.0281077 0.0331776 0.0857553), wk = 0.0027174 k( 7) = ( -0.0337293 0.0398131 0.1029064), wk = 0.0027174 k( 8) = ( -0.0393508 0.0464486 0.1200574), wk = 0.0027174 k( 9) = ( -0.0449723 0.0530841 0.1372085), wk = 0.0027174 k( 10) = ( -0.0505939 0.0597196 0.1543596), wk = 0.0027174 k( 11) = ( -0.0562154 0.0663552 0.1715107), wk = 0.0027174 k( 12) = ( -0.0618370 0.0729907 0.1886617), wk = 0.0027174 k( 13) = ( -0.0674585 0.0796262 0.2058128), wk = 0.0027174 k( 14) = ( -0.0730800 0.0862617 0.2229638), wk = 0.0027174 k( 15) = ( -0.0787016 0.0928972 0.2401149), wk = 0.0027174 k( 16) = ( -0.0843231 0.0995328 0.2572660), wk = 0.0027174 k( 17) = ( -0.0899447 0.1061683 0.2744170), wk = 0.0027174 k( 18) = ( -0.0955662 0.1128038 0.2915681), wk = 0.0027174 k( 19) = ( -0.1011878 0.1194393 0.3087192), wk = 0.0027174 k( 20) = ( -0.1068093 0.1260748 0.3258702), wk = 0.0027174 k( 21) = ( -0.1124308 0.1327103 0.3430213), wk = 0.0027174 k( 22) = ( -0.1180524 0.1393459 0.3601723), wk = 0.0027174 k( 23) = ( -0.1236739 0.1459814 0.3773234), wk = 0.0027174 k( 24) = ( -0.1292955 0.1526169 0.3944745), wk = 0.0027174 k( 25) = ( -0.1349170 0.1592524 0.4116255), wk = 0.0027174 k( 26) = ( -0.1405385 0.1658879 0.4287766), wk = 0.0027174 k( 27) = ( -0.1461601 0.1725234 0.4459277), wk = 0.0027174 k( 28) = ( -0.1517816 0.1791590 0.4630787), wk = 0.0027174 k( 29) = ( -0.1574032 0.1857945 0.4802298), wk = 0.0027174 k( 30) = ( -0.1630247 0.1924300 0.4973809), wk = 0.0027174 k( 31) = ( -0.1686462 0.1990655 0.5145319), wk = 0.0027174 k( 32) = ( -0.1742678 0.2057010 0.5316830), wk = 0.0027174 k( 33) = ( -0.1798893 0.2123365 0.5488341), wk = 0.0027174 k( 34) = ( -0.1855109 0.2189721 0.5659851), wk = 0.0027174 k( 35) = ( -0.1911324 0.2256076 0.5831362), wk = 0.0027174 k( 36) = ( -0.1967540 0.2322431 0.6002872), wk = 0.0027174 k( 37) = ( -0.2023755 0.2388786 0.6174383), wk = 0.0027174 k( 38) = ( -0.2079970 0.2455141 0.6345894), wk = 0.0027174 k( 39) = ( -0.2136186 0.2521496 0.6517404), wk = 0.0027174 k( 40) = ( -0.2192401 0.2587852 0.6688915), wk = 0.0027174 k( 41) = ( -0.2248617 0.2654207 0.6860426), wk = 0.0027174 k( 42) = ( -0.2304832 0.2720562 0.7031936), wk = 0.0027174 k( 43) = ( -0.2361048 0.2786917 0.7203447), wk = 0.0027174 k( 44) = ( -0.2417263 0.2853272 0.7374958), wk = 0.0027174 k( 45) = ( -0.2473478 0.2919628 0.7546468), wk = 0.0027174 k( 46) = ( -0.2529694 0.2985983 0.7717979), wk = 0.0027174 k( 47) = ( -0.2585909 0.3052338 0.7889489), wk = 0.0027174 k( 48) = ( -0.2642124 0.3118693 0.8061000), wk = 0.0027174 k( 49) = ( -0.2698340 0.3185048 0.8232511), wk = 0.0027174 k( 50) = ( -0.2754555 0.3251403 0.8404022), wk = 0.0027174 k( 51) = ( -0.2810771 0.3317759 0.8575532), wk = 0.0027174 k( 52) = ( -0.2866986 0.3384114 0.8747043), wk = 0.0027174 k( 53) = ( -0.2866986 0.3384114 0.8747043), wk = 0.0027174 k( 54) = ( -0.2759720 0.3257500 0.8831186), wk = 0.0027174 k( 55) = ( -0.2652454 0.3130886 0.8915330), wk = 0.0027174 k( 56) = ( -0.2545188 0.3004272 0.8999473), wk = 0.0027174 k( 57) = ( -0.2437922 0.2877658 0.9083616), wk = 0.0027174 k( 58) = ( -0.2330656 0.2751044 0.9167760), wk = 0.0027174 k( 59) = ( -0.2223390 0.2624430 0.9251903), wk = 0.0027174 k( 60) = ( -0.2116124 0.2497816 0.9336047), wk = 0.0027174 k( 61) = ( -0.2008858 0.2371202 0.9420190), wk = 0.0027174 k( 62) = ( -0.1901592 0.2244588 0.9504334), wk = 0.0027174 k( 63) = ( -0.1794326 0.2117974 0.9588477), wk = 0.0027174 k( 64) = ( -0.1794326 0.2117974 0.9588477), wk = 0.0027174 k( 65) = ( -0.1674704 0.1976776 0.9588477), wk = 0.0027174 k( 66) = ( -0.1555082 0.1835578 0.9588477), wk = 0.0027174 k( 67) = ( -0.1435461 0.1694379 0.9588477), wk = 0.0027174 k( 68) = ( -0.1315839 0.1553181 0.9588477), wk = 0.0027174 k( 69) = ( -0.1196217 0.1411983 0.9588477), wk = 0.0027174 k( 70) = ( -0.1076596 0.1270784 0.9588477), wk = 0.0027174 k( 71) = ( -0.0956974 0.1129586 0.9588477), wk = 0.0027174 k( 72) = ( -0.0837352 0.0988388 0.9588477), wk = 0.0027174 k( 73) = ( -0.0717730 0.0847190 0.9588477), wk = 0.0027174 k( 74) = ( -0.0598109 0.0705991 0.9588477), wk = 0.0027174 k( 75) = ( -0.0478487 0.0564793 0.9588477), wk = 0.0027174 k( 76) = ( -0.0358865 0.0423595 0.9588477), wk = 0.0027174 k( 77) = ( -0.0239244 0.0282397 0.9588477), wk = 0.0027174 k( 78) = ( -0.0119622 0.0141198 0.9588477), wk = 0.0027174 k( 79) = ( 0.0000000 0.0000000 0.9588477), wk = 0.0027174 k( 80) = ( 0.0000000 0.0000000 0.9588477), wk = 0.0027174 k( 81) = ( 0.0147059 0.0124587 0.9588477), wk = 0.0027174 k( 82) = ( 0.0294118 0.0249173 0.9588477), wk = 0.0027174 k( 83) = ( 0.0441177 0.0373760 0.9588477), wk = 0.0027174 k( 84) = ( 0.0588235 0.0498347 0.9588477), wk = 0.0027174 k( 85) = ( 0.0735294 0.0622934 0.9588477), wk = 0.0027174 k( 86) = ( 0.0882353 0.0747520 0.9588477), wk = 0.0027174 k( 87) = ( 0.1029412 0.0872107 0.9588477), wk = 0.0027174 k( 88) = ( 0.1176471 0.0996694 0.9588477), wk = 0.0027174 k( 89) = ( 0.1323529 0.1121280 0.9588477), wk = 0.0027174 k( 90) = ( 0.1470588 0.1245867 0.9588477), wk = 0.0027174 k( 91) = ( 0.1617647 0.1370454 0.9588477), wk = 0.0027174 k( 92) = ( 0.1764706 0.1495041 0.9588477), wk = 0.0027174 k( 93) = ( 0.1911765 0.1619627 0.9588477), wk = 0.0027174 k( 94) = ( 0.2058823 0.1744214 0.9588477), wk = 0.0027174 k( 95) = ( 0.2205882 0.1868801 0.9588477), wk = 0.0027174 k( 96) = ( 0.2352941 0.1993388 0.9588477), wk = 0.0027174 k( 97) = ( 0.2500000 0.2117974 0.9588477), wk = 0.0027174 k( 98) = ( 0.2500000 0.2117974 0.9588477), wk = 0.0027174 k( 99) = ( 0.2391304 0.2246276 0.9503212), wk = 0.0027174 k( 100) = ( 0.2282609 0.2374577 0.9417947), wk = 0.0027174 k( 101) = ( 0.2173913 0.2502879 0.9332682), wk = 0.0027174 k( 102) = ( 0.2065217 0.2631180 0.9247418), wk = 0.0027174 k( 103) = ( 0.1956522 0.2759481 0.9162153), wk = 0.0027174 k( 104) = ( 0.1847826 0.2887783 0.9076888), wk = 0.0027174 k( 105) = ( 0.1739130 0.3016084 0.8991623), wk = 0.0027174 k( 106) = ( 0.1630435 0.3144386 0.8906358), wk = 0.0027174 k( 107) = ( 0.1521739 0.3272687 0.8821093), wk = 0.0027174 k( 108) = ( 0.1413043 0.3400989 0.8735828), wk = 0.0027174 k( 109) = ( 0.1304348 0.3529290 0.8650563), wk = 0.0027174 k( 110) = ( 0.1195652 0.3657591 0.8565299), wk = 0.0027174 k( 111) = ( 0.1086957 0.3785893 0.8480034), wk = 0.0027174 k( 112) = ( 0.0978261 0.3914194 0.8394769), wk = 0.0027174 k( 113) = ( 0.0869565 0.4042496 0.8309504), wk = 0.0027174 k( 114) = ( 0.0760870 0.4170797 0.8224239), wk = 0.0027174 k( 115) = ( 0.0652174 0.4299099 0.8138974), wk = 0.0027174 k( 116) = ( 0.0543478 0.4427400 0.8053709), wk = 0.0027174 k( 117) = ( 0.0434783 0.4555701 0.7968444), wk = 0.0027174 k( 118) = ( 0.0326087 0.4684003 0.7883179), wk = 0.0027174 k( 119) = ( 0.0217391 0.4812304 0.7797915), wk = 0.0027174 k( 120) = ( 0.0108696 0.4940606 0.7712650), wk = 0.0027174 k( 121) = ( 0.0000000 0.5068907 0.7627385), wk = 0.0027174 k( 122) = ( 0.0000000 0.5068907 0.7627385), wk = 0.0027174 k( 123) = ( 0.0159277 0.5162507 0.7565182), wk = 0.0027174 k( 124) = ( 0.0318554 0.5256106 0.7502978), wk = 0.0027174 k( 125) = ( 0.0477831 0.5349706 0.7440775), wk = 0.0027174 k( 126) = ( 0.0637108 0.5443306 0.7378572), wk = 0.0027174 k( 127) = ( 0.0796385 0.5536905 0.7316369), wk = 0.0027174 k( 128) = ( 0.0955662 0.5630505 0.7254165), wk = 0.0027174 k( 129) = ( 0.1114939 0.5724105 0.7191962), wk = 0.0027174 k( 130) = ( 0.1274216 0.5817704 0.7129759), wk = 0.0027174 k( 131) = ( 0.1433493 0.5911304 0.7067556), wk = 0.0027174 k( 132) = ( 0.1592770 0.6004904 0.7005353), wk = 0.0027174 k( 133) = ( 0.1752047 0.6098503 0.6943149), wk = 0.0027174 k( 134) = ( 0.1911324 0.6192103 0.6880946), wk = 0.0027174 k( 135) = ( 0.2070601 0.6285703 0.6818743), wk = 0.0027174 k( 136) = ( 0.2229878 0.6379302 0.6756540), wk = 0.0027174 k( 137) = ( 0.2389155 0.6472902 0.6694336), wk = 0.0027174 k( 138) = ( 0.2548432 0.6566501 0.6632133), wk = 0.0027174 k( 139) = ( 0.2707709 0.6660101 0.6569930), wk = 0.0027174 k( 140) = ( 0.2866986 0.6753701 0.6507727), wk = 0.0027174 k( 141) = ( 0.2866986 0.6753701 0.6507727), wk = 0.0027174 k( 142) = ( 0.2923118 0.6687444 0.6336471), wk = 0.0027174 k( 143) = ( 0.2979250 0.6621187 0.6165215), wk = 0.0027174 k( 144) = ( 0.3035382 0.6554931 0.5993959), wk = 0.0027174 k( 145) = ( 0.3091514 0.6488674 0.5822703), wk = 0.0027174 k( 146) = ( 0.3147646 0.6422418 0.5651447), wk = 0.0027174 k( 147) = ( 0.3203778 0.6356161 0.5480191), wk = 0.0027174 k( 148) = ( 0.3259910 0.6289904 0.5308935), wk = 0.0027174 k( 149) = ( 0.3316042 0.6223648 0.5137679), wk = 0.0027174 k( 150) = ( 0.3372174 0.6157391 0.4966423), wk = 0.0027174 k( 151) = ( 0.3428306 0.6091134 0.4795167), wk = 0.0027174 k( 152) = ( 0.3484438 0.6024878 0.4623911), wk = 0.0027174 k( 153) = ( 0.3540569 0.5958621 0.4452655), wk = 0.0027174 k( 154) = ( 0.3596701 0.5892364 0.4281399), wk = 0.0027174 k( 155) = ( 0.3652833 0.5826108 0.4110143), wk = 0.0027174 k( 156) = ( 0.3708965 0.5759851 0.3938887), wk = 0.0027174 k( 157) = ( 0.3765097 0.5693594 0.3767631), wk = 0.0027174 k( 158) = ( 0.3821229 0.5627338 0.3596375), wk = 0.0027174 k( 159) = ( 0.3877361 0.5561081 0.3425119), wk = 0.0027174 k( 160) = ( 0.3933493 0.5494825 0.3253863), wk = 0.0027174 k( 161) = ( 0.3989625 0.5428568 0.3082608), wk = 0.0027174 k( 162) = ( 0.4045757 0.5362311 0.2911351), wk = 0.0027174 k( 163) = ( 0.4101889 0.5296055 0.2740096), wk = 0.0027174 k( 164) = ( 0.4158021 0.5229798 0.2568839), wk = 0.0027174 k( 165) = ( 0.4214153 0.5163541 0.2397584), wk = 0.0027174 k( 166) = ( 0.4270285 0.5097285 0.2226328), wk = 0.0027174 k( 167) = ( 0.4326417 0.5031028 0.2055072), wk = 0.0027174 k( 168) = ( 0.4382549 0.4964771 0.1883816), wk = 0.0027174 k( 169) = ( 0.4438681 0.4898515 0.1712560), wk = 0.0027174 k( 170) = ( 0.4494812 0.4832258 0.1541304), wk = 0.0027174 k( 171) = ( 0.4550944 0.4766001 0.1370048), wk = 0.0027174 k( 172) = ( 0.4607076 0.4699745 0.1198792), wk = 0.0027174 k( 173) = ( 0.4663208 0.4633488 0.1027536), wk = 0.0027174 k( 174) = ( 0.4719340 0.4567232 0.0856280), wk = 0.0027174 k( 175) = ( 0.4775472 0.4500975 0.0685024), wk = 0.0027174 k( 176) = ( 0.4831604 0.4434718 0.0513768), wk = 0.0027174 k( 177) = ( 0.4887736 0.4368462 0.0342512), wk = 0.0027174 k( 178) = ( 0.4943868 0.4302205 0.0171256), wk = 0.0027174 k( 179) = ( 0.5000000 0.4235948 -0.0000000), wk = 0.0027174 k( 180) = ( 0.5000000 0.4235948 -0.0000000), wk = 0.0027174 k( 181) = ( 0.4852941 0.4111362 -0.0000000), wk = 0.0027174 k( 182) = ( 0.4705882 0.3986775 -0.0000000), wk = 0.0027174 k( 183) = ( 0.4558823 0.3862188 -0.0000000), wk = 0.0027174 k( 184) = ( 0.4411765 0.3737602 -0.0000000), wk = 0.0027174 k( 185) = ( 0.4264706 0.3613015 -0.0000000), wk = 0.0027174 k( 186) = ( 0.4117647 0.3488428 -0.0000000), wk = 0.0027174 k( 187) = ( 0.3970588 0.3363841 -0.0000000), wk = 0.0027174 k( 188) = ( 0.3823529 0.3239255 -0.0000000), wk = 0.0027174 k( 189) = ( 0.3676471 0.3114668 -0.0000000), wk = 0.0027174 k( 190) = ( 0.3529412 0.2990081 -0.0000000), wk = 0.0027174 k( 191) = ( 0.3382353 0.2865494 -0.0000000), wk = 0.0027174 k( 192) = ( 0.3235294 0.2740908 -0.0000000), wk = 0.0027174 k( 193) = ( 0.3088235 0.2616321 -0.0000000), wk = 0.0027174 k( 194) = ( 0.2941177 0.2491734 -0.0000000), wk = 0.0027174 k( 195) = ( 0.2794118 0.2367148 -0.0000000), wk = 0.0027174 k( 196) = ( 0.2647059 0.2242561 -0.0000000), wk = 0.0027174 k( 197) = ( 0.2500000 0.2117974 -0.0000000), wk = 0.0027174 k( 198) = ( 0.2352941 0.1993388 -0.0000000), wk = 0.0027174 k( 199) = ( 0.2205882 0.1868801 -0.0000000), wk = 0.0027174 k( 200) = ( 0.2058823 0.1744214 -0.0000000), wk = 0.0027174 k( 201) = ( 0.1911765 0.1619627 -0.0000000), wk = 0.0027174 k( 202) = ( 0.1764706 0.1495041 -0.0000000), wk = 0.0027174 k( 203) = ( 0.1617647 0.1370454 -0.0000000), wk = 0.0027174 k( 204) = ( 0.1470588 0.1245867 -0.0000000), wk = 0.0027174 k( 205) = ( 0.1323529 0.1121280 -0.0000000), wk = 0.0027174 k( 206) = ( 0.1176471 0.0996694 -0.0000000), wk = 0.0027174 k( 207) = ( 0.1029412 0.0872107 -0.0000000), wk = 0.0027174 k( 208) = ( 0.0882353 0.0747520 -0.0000000), wk = 0.0027174 k( 209) = ( 0.0735294 0.0622934 -0.0000000), wk = 0.0027174 k( 210) = ( 0.0588235 0.0498347 -0.0000000), wk = 0.0027174 k( 211) = ( 0.0441177 0.0373760 -0.0000000), wk = 0.0027174 k( 212) = ( 0.0294118 0.0249173 -0.0000000), wk = 0.0027174 k( 213) = ( 0.0147059 0.0124587 -0.0000000), wk = 0.0027174 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 215) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 216) = ( 0.0112210 -0.0132449 0.0088021), wk = 0.0027174 k( 217) = ( 0.0224419 -0.0264899 0.0176043), wk = 0.0027174 k( 218) = ( 0.0336629 -0.0397348 0.0264064), wk = 0.0027174 k( 219) = ( 0.0448839 -0.0529797 0.0352086), wk = 0.0027174 k( 220) = ( 0.0561048 -0.0662247 0.0440107), wk = 0.0027174 k( 221) = ( 0.0673258 -0.0794696 0.0528129), wk = 0.0027174 k( 222) = ( 0.0785468 -0.0927145 0.0616150), wk = 0.0027174 k( 223) = ( 0.0897678 -0.1059595 0.0704171), wk = 0.0027174 k( 224) = ( 0.1009887 -0.1192044 0.0792193), wk = 0.0027174 k( 225) = ( 0.1122097 -0.1324493 0.0880214), wk = 0.0027174 k( 226) = ( 0.1234307 -0.1456943 0.0968236), wk = 0.0027174 k( 227) = ( 0.1346517 -0.1589392 0.1056257), wk = 0.0027174 k( 228) = ( 0.1458726 -0.1721841 0.1144279), wk = 0.0027174 k( 229) = ( 0.1570936 -0.1854291 0.1232300), wk = 0.0027174 k( 230) = ( 0.1683146 -0.1986740 0.1320322), wk = 0.0027174 k( 231) = ( 0.1795355 -0.2119189 0.1408343), wk = 0.0027174 k( 232) = ( 0.1907565 -0.2251639 0.1496364), wk = 0.0027174 k( 233) = ( 0.2019775 -0.2384088 0.1584386), wk = 0.0027174 k( 234) = ( 0.2131984 -0.2516537 0.1672407), wk = 0.0027174 k( 235) = ( 0.2244194 -0.2648987 0.1760429), wk = 0.0027174 k( 236) = ( 0.2356404 -0.2781436 0.1848450), wk = 0.0027174 k( 237) = ( 0.2468614 -0.2913885 0.1936472), wk = 0.0027174 k( 238) = ( 0.2580823 -0.3046335 0.2024493), wk = 0.0027174 k( 239) = ( 0.2693033 -0.3178784 0.2112514), wk = 0.0027174 k( 240) = ( 0.2805243 -0.3311233 0.2200536), wk = 0.0027174 k( 241) = ( 0.2917452 -0.3443683 0.2288557), wk = 0.0027174 k( 242) = ( 0.3029662 -0.3576132 0.2376579), wk = 0.0027174 k( 243) = ( 0.3141872 -0.3708581 0.2464600), wk = 0.0027174 k( 244) = ( 0.3254082 -0.3841031 0.2552622), wk = 0.0027174 k( 245) = ( 0.3366291 -0.3973480 0.2640643), wk = 0.0027174 k( 246) = ( 0.3478501 -0.4105929 0.2728665), wk = 0.0027174 k( 247) = ( 0.3590711 -0.4238379 0.2816686), wk = 0.0027174 k( 248) = ( 0.3702920 -0.4370828 0.2904707), wk = 0.0027174 k( 249) = ( 0.3815130 -0.4503277 0.2992729), wk = 0.0027174 k( 250) = ( 0.3927340 -0.4635727 0.3080750), wk = 0.0027174 k( 251) = ( 0.3927340 -0.4635727 0.3080750), wk = 0.0027174 k( 252) = ( 0.3976097 -0.4462873 0.3029857), wk = 0.0027174 k( 253) = ( 0.4024854 -0.4290020 0.2978963), wk = 0.0027174 k( 254) = ( 0.4073612 -0.4117167 0.2928070), wk = 0.0027174 k( 255) = ( 0.4122369 -0.3944314 0.2877176), wk = 0.0027174 k( 256) = ( 0.4171126 -0.3771461 0.2826283), wk = 0.0027174 k( 257) = ( 0.4219883 -0.3598608 0.2775389), wk = 0.0027174 k( 258) = ( 0.4268641 -0.3425755 0.2724495), wk = 0.0027174 k( 259) = ( 0.4317398 -0.3252902 0.2673602), wk = 0.0027174 k( 260) = ( 0.4366155 -0.3080049 0.2622708), wk = 0.0027174 k( 261) = ( 0.4414913 -0.2907196 0.2571815), wk = 0.0027174 k( 262) = ( 0.4463670 -0.2734343 0.2520921), wk = 0.0027174 k( 263) = ( 0.4512427 -0.2561490 0.2470028), wk = 0.0027174 k( 264) = ( 0.4561184 -0.2388637 0.2419134), wk = 0.0027174 k( 265) = ( 0.4609942 -0.2215783 0.2368241), wk = 0.0027174 k( 266) = ( 0.4658699 -0.2042930 0.2317347), wk = 0.0027174 k( 267) = ( 0.4707456 -0.1870077 0.2266454), wk = 0.0027174 k( 268) = ( 0.4756214 -0.1697224 0.2215560), wk = 0.0027174 k( 269) = ( 0.4804971 -0.1524371 0.2164667), wk = 0.0027174 k( 270) = ( 0.4853728 -0.1351518 0.2113773), wk = 0.0027174 k( 271) = ( 0.4902485 -0.1178665 0.2062879), wk = 0.0027174 k( 272) = ( 0.4951243 -0.1005812 0.2011986), wk = 0.0027174 k( 273) = ( 0.5000000 -0.0832959 0.1961092), wk = 0.0027174 k( 274) = ( 0.5000000 -0.0832959 0.1961092), wk = 0.0027174 k( 275) = ( 0.4943182 -0.0765892 0.2134442), wk = 0.0027174 k( 276) = ( 0.4886364 -0.0698825 0.2307792), wk = 0.0027174 k( 277) = ( 0.4829545 -0.0631759 0.2481141), wk = 0.0027174 k( 278) = ( 0.4772727 -0.0564692 0.2654491), wk = 0.0027174 k( 279) = ( 0.4715909 -0.0497626 0.2827841), wk = 0.0027174 k( 280) = ( 0.4659091 -0.0430559 0.3001190), wk = 0.0027174 k( 281) = ( 0.4602273 -0.0363492 0.3174540), wk = 0.0027174 k( 282) = ( 0.4545455 -0.0296425 0.3347890), wk = 0.0027174 k( 283) = ( 0.4488636 -0.0229359 0.3521239), wk = 0.0027174 k( 284) = ( 0.4431818 -0.0162292 0.3694589), wk = 0.0027174 k( 285) = ( 0.4375000 -0.0095226 0.3867939), wk = 0.0027174 k( 286) = ( 0.4318182 -0.0028159 0.4041288), wk = 0.0027174 k( 287) = ( 0.4261364 0.0038908 0.4214638), wk = 0.0027174 k( 288) = ( 0.4204545 0.0105974 0.4387987), wk = 0.0027174 k( 289) = ( 0.4147727 0.0173041 0.4561337), wk = 0.0027174 k( 290) = ( 0.4090909 0.0240108 0.4734687), wk = 0.0027174 k( 291) = ( 0.4034091 0.0307174 0.4908036), wk = 0.0027174 k( 292) = ( 0.3977273 0.0374241 0.5081386), wk = 0.0027174 k( 293) = ( 0.3920455 0.0441308 0.5254736), wk = 0.0027174 k( 294) = ( 0.3863636 0.0508374 0.5428085), wk = 0.0027174 k( 295) = ( 0.3806818 0.0575441 0.5601435), wk = 0.0027174 k( 296) = ( 0.3750000 0.0642508 0.5774785), wk = 0.0027174 k( 297) = ( 0.3693182 0.0709574 0.5948134), wk = 0.0027174 k( 298) = ( 0.3636364 0.0776641 0.6121484), wk = 0.0027174 k( 299) = ( 0.3579545 0.0843708 0.6294834), wk = 0.0027174 k( 300) = ( 0.3522727 0.0910774 0.6468183), wk = 0.0027174 k( 301) = ( 0.3465909 0.0977841 0.6641533), wk = 0.0027174 k( 302) = ( 0.3409091 0.1044908 0.6814883), wk = 0.0027174 k( 303) = ( 0.3352273 0.1111974 0.6988232), wk = 0.0027174 k( 304) = ( 0.3295455 0.1179041 0.7161582), wk = 0.0027174 k( 305) = ( 0.3238636 0.1246108 0.7334931), wk = 0.0027174 k( 306) = ( 0.3181818 0.1313174 0.7508281), wk = 0.0027174 k( 307) = ( 0.3125000 0.1380241 0.7681631), wk = 0.0027174 k( 308) = ( 0.3068182 0.1447308 0.7854981), wk = 0.0027174 k( 309) = ( 0.3011364 0.1514374 0.8028330), wk = 0.0027174 k( 310) = ( 0.2954545 0.1581441 0.8201680), wk = 0.0027174 k( 311) = ( 0.2897727 0.1648508 0.8375029), wk = 0.0027174 k( 312) = ( 0.2840909 0.1715574 0.8548379), wk = 0.0027174 k( 313) = ( 0.2784091 0.1782641 0.8721729), wk = 0.0027174 k( 314) = ( 0.2727273 0.1849708 0.8895079), wk = 0.0027174 k( 315) = ( 0.2670455 0.1916774 0.9068428), wk = 0.0027174 k( 316) = ( 0.2613636 0.1983841 0.9241778), wk = 0.0027174 k( 317) = ( 0.2556818 0.2050908 0.9415127), wk = 0.0027174 k( 318) = ( 0.2500000 0.2117974 0.9588477), wk = 0.0027174 k( 319) = ( 0.1794326 -0.2117974 0.9588477), wk = 0.0027174 k( 320) = ( 0.1850458 -0.2184231 0.9417221), wk = 0.0027174 k( 321) = ( 0.1906590 -0.2250488 0.9245965), wk = 0.0027174 k( 322) = ( 0.1962722 -0.2316744 0.9074709), wk = 0.0027174 k( 323) = ( 0.2018854 -0.2383001 0.8903453), wk = 0.0027174 k( 324) = ( 0.2074986 -0.2449257 0.8732197), wk = 0.0027174 k( 325) = ( 0.2131117 -0.2515514 0.8560941), wk = 0.0027174 k( 326) = ( 0.2187250 -0.2581771 0.8389685), wk = 0.0027174 k( 327) = ( 0.2243381 -0.2648027 0.8218429), wk = 0.0027174 k( 328) = ( 0.2299513 -0.2714284 0.8047173), wk = 0.0027174 k( 329) = ( 0.2355645 -0.2780541 0.7875917), wk = 0.0027174 k( 330) = ( 0.2411777 -0.2846797 0.7704661), wk = 0.0027174 k( 331) = ( 0.2467909 -0.2913054 0.7533405), wk = 0.0027174 k( 332) = ( 0.2524041 -0.2979310 0.7362149), wk = 0.0027174 k( 333) = ( 0.2580173 -0.3045567 0.7190893), wk = 0.0027174 k( 334) = ( 0.2636305 -0.3111824 0.7019638), wk = 0.0027174 k( 335) = ( 0.2692437 -0.3178081 0.6848382), wk = 0.0027174 k( 336) = ( 0.2748569 -0.3244337 0.6677126), wk = 0.0027174 k( 337) = ( 0.2804701 -0.3310594 0.6505870), wk = 0.0027174 k( 338) = ( 0.2860833 -0.3376850 0.6334614), wk = 0.0027174 k( 339) = ( 0.2916965 -0.3443107 0.6163358), wk = 0.0027174 k( 340) = ( 0.2973097 -0.3509364 0.5992102), wk = 0.0027174 k( 341) = ( 0.3029229 -0.3575620 0.5820846), wk = 0.0027174 k( 342) = ( 0.3085361 -0.3641877 0.5649590), wk = 0.0027174 k( 343) = ( 0.3141492 -0.3708134 0.5478334), wk = 0.0027174 k( 344) = ( 0.3197624 -0.3774390 0.5307078), wk = 0.0027174 k( 345) = ( 0.3253756 -0.3840647 0.5135822), wk = 0.0027174 k( 346) = ( 0.3309888 -0.3906903 0.4964566), wk = 0.0027174 k( 347) = ( 0.3366020 -0.3973160 0.4793310), wk = 0.0027174 k( 348) = ( 0.3422152 -0.4039417 0.4622054), wk = 0.0027174 k( 349) = ( 0.3478284 -0.4105673 0.4450798), wk = 0.0027174 k( 350) = ( 0.3534416 -0.4171930 0.4279542), wk = 0.0027174 k( 351) = ( 0.3590548 -0.4238187 0.4108286), wk = 0.0027174 k( 352) = ( 0.3646680 -0.4304443 0.3937030), wk = 0.0027174 k( 353) = ( 0.3702812 -0.4370700 0.3765774), wk = 0.0027174 k( 354) = ( 0.3758944 -0.4436957 0.3594518), wk = 0.0027174 k( 355) = ( 0.3815076 -0.4503213 0.3423262), wk = 0.0027174 k( 356) = ( 0.3871208 -0.4569470 0.3252006), wk = 0.0027174 k( 357) = ( 0.3927340 -0.4635727 0.3080750), wk = 0.0027174 k( 358) = ( 0.6072660 0.2969809 0.0841434), wk = 0.0027174 k( 359) = ( 0.5965394 0.3096423 0.0757291), wk = 0.0027174 k( 360) = ( 0.5858128 0.3223037 0.0673147), wk = 0.0027174 k( 361) = ( 0.5750862 0.3349651 0.0589004), wk = 0.0027174 k( 362) = ( 0.5643596 0.3476265 0.0504861), wk = 0.0027174 k( 363) = ( 0.5536330 0.3602879 0.0420717), wk = 0.0027174 k( 364) = ( 0.5429064 0.3729493 0.0336574), wk = 0.0027174 k( 365) = ( 0.5321798 0.3856107 0.0252430), wk = 0.0027174 k( 366) = ( 0.5214532 0.3982720 0.0168287), wk = 0.0027174 k( 367) = ( 0.5107266 0.4109334 0.0084143), wk = 0.0027174 k( 368) = ( 0.5000000 0.4235948 -0.0000000), wk = 0.0027174 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 2) = ( -0.0056215 0.0056215 0.0056215), wk = 0.0027174 k( 3) = ( -0.0112431 0.0112431 0.0112431), wk = 0.0027174 k( 4) = ( -0.0168646 0.0168646 0.0168646), wk = 0.0027174 k( 5) = ( -0.0224862 0.0224862 0.0224862), wk = 0.0027174 k( 6) = ( -0.0281077 0.0281077 0.0281077), wk = 0.0027174 k( 7) = ( -0.0337293 0.0337293 0.0337293), wk = 0.0027174 k( 8) = ( -0.0393508 0.0393508 0.0393508), wk = 0.0027174 k( 9) = ( -0.0449723 0.0449723 0.0449723), wk = 0.0027174 k( 10) = ( -0.0505939 0.0505939 0.0505939), wk = 0.0027174 k( 11) = ( -0.0562154 0.0562154 0.0562154), wk = 0.0027174 k( 12) = ( -0.0618370 0.0618370 0.0618370), wk = 0.0027174 k( 13) = ( -0.0674585 0.0674585 0.0674585), wk = 0.0027174 k( 14) = ( -0.0730800 0.0730800 0.0730800), wk = 0.0027174 k( 15) = ( -0.0787016 0.0787016 0.0787016), wk = 0.0027174 k( 16) = ( -0.0843231 0.0843231 0.0843231), wk = 0.0027174 k( 17) = ( -0.0899447 0.0899447 0.0899447), wk = 0.0027174 k( 18) = ( -0.0955662 0.0955662 0.0955662), wk = 0.0027174 k( 19) = ( -0.1011878 0.1011878 0.1011878), wk = 0.0027174 k( 20) = ( -0.1068093 0.1068093 0.1068093), wk = 0.0027174 k( 21) = ( -0.1124308 0.1124308 0.1124308), wk = 0.0027174 k( 22) = ( -0.1180524 0.1180524 0.1180524), wk = 0.0027174 k( 23) = ( -0.1236739 0.1236739 0.1236739), wk = 0.0027174 k( 24) = ( -0.1292955 0.1292955 0.1292955), wk = 0.0027174 k( 25) = ( -0.1349170 0.1349170 0.1349170), wk = 0.0027174 k( 26) = ( -0.1405385 0.1405385 0.1405385), wk = 0.0027174 k( 27) = ( -0.1461601 0.1461601 0.1461601), wk = 0.0027174 k( 28) = ( -0.1517816 0.1517816 0.1517816), wk = 0.0027174 k( 29) = ( -0.1574032 0.1574032 0.1574032), wk = 0.0027174 k( 30) = ( -0.1630247 0.1630247 0.1630247), wk = 0.0027174 k( 31) = ( -0.1686462 0.1686463 0.1686462), wk = 0.0027174 k( 32) = ( -0.1742678 0.1742678 0.1742678), wk = 0.0027174 k( 33) = ( -0.1798893 0.1798893 0.1798893), wk = 0.0027174 k( 34) = ( -0.1855109 0.1855109 0.1855109), wk = 0.0027174 k( 35) = ( -0.1911324 0.1911324 0.1911324), wk = 0.0027174 k( 36) = ( -0.1967540 0.1967540 0.1967540), wk = 0.0027174 k( 37) = ( -0.2023755 0.2023755 0.2023755), wk = 0.0027174 k( 38) = ( -0.2079970 0.2079970 0.2079970), wk = 0.0027174 k( 39) = ( -0.2136186 0.2136186 0.2136186), wk = 0.0027174 k( 40) = ( -0.2192401 0.2192401 0.2192401), wk = 0.0027174 k( 41) = ( -0.2248617 0.2248617 0.2248617), wk = 0.0027174 k( 42) = ( -0.2304832 0.2304832 0.2304832), wk = 0.0027174 k( 43) = ( -0.2361048 0.2361048 0.2361048), wk = 0.0027174 k( 44) = ( -0.2417263 0.2417263 0.2417263), wk = 0.0027174 k( 45) = ( -0.2473478 0.2473478 0.2473478), wk = 0.0027174 k( 46) = ( -0.2529694 0.2529694 0.2529694), wk = 0.0027174 k( 47) = ( -0.2585909 0.2585909 0.2585909), wk = 0.0027174 k( 48) = ( -0.2642124 0.2642124 0.2642124), wk = 0.0027174 k( 49) = ( -0.2698340 0.2698340 0.2698340), wk = 0.0027174 k( 50) = ( -0.2754555 0.2754555 0.2754555), wk = 0.0027174 k( 51) = ( -0.2810771 0.2810771 0.2810771), wk = 0.0027174 k( 52) = ( -0.2866986 0.2866986 0.2866986), wk = 0.0027174 k( 53) = ( -0.2866986 0.2866986 0.2866986), wk = 0.0027174 k( 54) = ( -0.2759720 0.2759720 0.2974252), wk = 0.0027174 k( 55) = ( -0.2652454 0.2652454 0.3081518), wk = 0.0027174 k( 56) = ( -0.2545188 0.2545188 0.3188784), wk = 0.0027174 k( 57) = ( -0.2437922 0.2437922 0.3296050), wk = 0.0027174 k( 58) = ( -0.2330656 0.2330656 0.3403316), wk = 0.0027174 k( 59) = ( -0.2223390 0.2223390 0.3510582), wk = 0.0027174 k( 60) = ( -0.2116124 0.2116124 0.3617848), wk = 0.0027174 k( 61) = ( -0.2008858 0.2008858 0.3725114), wk = 0.0027174 k( 62) = ( -0.1901592 0.1901592 0.3832380), wk = 0.0027174 k( 63) = ( -0.1794326 0.1794326 0.3939647), wk = 0.0027174 k( 64) = ( -0.1794326 0.1794326 0.3939647), wk = 0.0027174 k( 65) = ( -0.1674704 0.1674704 0.4010337), wk = 0.0027174 k( 66) = ( -0.1555082 0.1555082 0.4081027), wk = 0.0027174 k( 67) = ( -0.1435461 0.1435461 0.4151717), wk = 0.0027174 k( 68) = ( -0.1315839 0.1315839 0.4222407), wk = 0.0027174 k( 69) = ( -0.1196217 0.1196217 0.4293098), wk = 0.0027174 k( 70) = ( -0.1076596 0.1076596 0.4363788), wk = 0.0027174 k( 71) = ( -0.0956974 0.0956974 0.4434478), wk = 0.0027174 k( 72) = ( -0.0837352 0.0837352 0.4505168), wk = 0.0027174 k( 73) = ( -0.0717730 0.0717730 0.4575859), wk = 0.0027174 k( 74) = ( -0.0598109 0.0598109 0.4646549), wk = 0.0027174 k( 75) = ( -0.0478487 0.0478487 0.4717239), wk = 0.0027174 k( 76) = ( -0.0358865 0.0358865 0.4787929), wk = 0.0027174 k( 77) = ( -0.0239244 0.0239244 0.4858620), wk = 0.0027174 k( 78) = ( -0.0119622 0.0119622 0.4929310), wk = 0.0027174 k( 79) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027174 k( 80) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027174 k( 81) = ( 0.0147059 0.0147059 0.4852941), wk = 0.0027174 k( 82) = ( 0.0294118 0.0294118 0.4705882), wk = 0.0027174 k( 83) = ( 0.0441177 0.0441177 0.4558824), wk = 0.0027174 k( 84) = ( 0.0588235 0.0588235 0.4411765), wk = 0.0027174 k( 85) = ( 0.0735294 0.0735294 0.4264706), wk = 0.0027174 k( 86) = ( 0.0882353 0.0882353 0.4117647), wk = 0.0027174 k( 87) = ( 0.1029412 0.1029412 0.3970588), wk = 0.0027174 k( 88) = ( 0.1176471 0.1176471 0.3823529), wk = 0.0027174 k( 89) = ( 0.1323529 0.1323529 0.3676471), wk = 0.0027174 k( 90) = ( 0.1470588 0.1470588 0.3529412), wk = 0.0027174 k( 91) = ( 0.1617647 0.1617647 0.3382353), wk = 0.0027174 k( 92) = ( 0.1764706 0.1764706 0.3235294), wk = 0.0027174 k( 93) = ( 0.1911765 0.1911765 0.3088235), wk = 0.0027174 k( 94) = ( 0.2058823 0.2058824 0.2941177), wk = 0.0027174 k( 95) = ( 0.2205882 0.2205882 0.2794118), wk = 0.0027174 k( 96) = ( 0.2352941 0.2352941 0.2647059), wk = 0.0027174 k( 97) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027174 k( 98) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027174 k( 99) = ( 0.2391304 0.2608696 0.2391304), wk = 0.0027174 k( 100) = ( 0.2282609 0.2717391 0.2282609), wk = 0.0027174 k( 101) = ( 0.2173913 0.2826087 0.2173913), wk = 0.0027174 k( 102) = ( 0.2065217 0.2934783 0.2065217), wk = 0.0027174 k( 103) = ( 0.1956522 0.3043478 0.1956522), wk = 0.0027174 k( 104) = ( 0.1847826 0.3152174 0.1847826), wk = 0.0027174 k( 105) = ( 0.1739130 0.3260870 0.1739130), wk = 0.0027174 k( 106) = ( 0.1630435 0.3369565 0.1630435), wk = 0.0027174 k( 107) = ( 0.1521739 0.3478261 0.1521739), wk = 0.0027174 k( 108) = ( 0.1413043 0.3586956 0.1413044), wk = 0.0027174 k( 109) = ( 0.1304348 0.3695652 0.1304348), wk = 0.0027174 k( 110) = ( 0.1195652 0.3804348 0.1195652), wk = 0.0027174 k( 111) = ( 0.1086957 0.3913044 0.1086956), wk = 0.0027174 k( 112) = ( 0.0978261 0.4021739 0.0978261), wk = 0.0027174 k( 113) = ( 0.0869565 0.4130435 0.0869565), wk = 0.0027174 k( 114) = ( 0.0760870 0.4239130 0.0760870), wk = 0.0027174 k( 115) = ( 0.0652174 0.4347826 0.0652174), wk = 0.0027174 k( 116) = ( 0.0543478 0.4456522 0.0543478), wk = 0.0027174 k( 117) = ( 0.0434783 0.4565217 0.0434783), wk = 0.0027174 k( 118) = ( 0.0326087 0.4673913 0.0326087), wk = 0.0027174 k( 119) = ( 0.0217391 0.4782609 0.0217391), wk = 0.0027174 k( 120) = ( 0.0108696 0.4891304 0.0108696), wk = 0.0027174 k( 121) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027174 k( 122) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027174 k( 123) = ( 0.0159277 0.5118501 -0.0159277), wk = 0.0027174 k( 124) = ( 0.0318554 0.5237002 -0.0318554), wk = 0.0027174 k( 125) = ( 0.0477831 0.5355502 -0.0477831), wk = 0.0027174 k( 126) = ( 0.0637108 0.5474003 -0.0637108), wk = 0.0027174 k( 127) = ( 0.0796385 0.5592504 -0.0796385), wk = 0.0027174 k( 128) = ( 0.0955662 0.5711005 -0.0955662), wk = 0.0027174 k( 129) = ( 0.1114939 0.5829505 -0.1114939), wk = 0.0027174 k( 130) = ( 0.1274216 0.5948006 -0.1274216), wk = 0.0027174 k( 131) = ( 0.1433493 0.6066507 -0.1433493), wk = 0.0027174 k( 132) = ( 0.1592770 0.6185008 -0.1592770), wk = 0.0027174 k( 133) = ( 0.1752047 0.6303508 -0.1752047), wk = 0.0027174 k( 134) = ( 0.1911324 0.6422009 -0.1911324), wk = 0.0027174 k( 135) = ( 0.2070601 0.6540510 -0.2070601), wk = 0.0027174 k( 136) = ( 0.2229878 0.6659011 -0.2229878), wk = 0.0027174 k( 137) = ( 0.2389155 0.6777511 -0.2389155), wk = 0.0027174 k( 138) = ( 0.2548432 0.6896012 -0.2548432), wk = 0.0027174 k( 139) = ( 0.2707709 0.7014513 -0.2707709), wk = 0.0027174 k( 140) = ( 0.2866986 0.7133014 -0.2866986), wk = 0.0027174 k( 141) = ( 0.2866986 0.7133014 -0.2866986), wk = 0.0027174 k( 142) = ( 0.2923118 0.7076882 -0.2923118), wk = 0.0027174 k( 143) = ( 0.2979250 0.7020750 -0.2979250), wk = 0.0027174 k( 144) = ( 0.3035382 0.6964618 -0.3035382), wk = 0.0027174 k( 145) = ( 0.3091514 0.6908486 -0.3091514), wk = 0.0027174 k( 146) = ( 0.3147646 0.6852354 -0.3147646), wk = 0.0027174 k( 147) = ( 0.3203778 0.6796222 -0.3203778), wk = 0.0027174 k( 148) = ( 0.3259910 0.6740090 -0.3259910), wk = 0.0027174 k( 149) = ( 0.3316042 0.6683958 -0.3316042), wk = 0.0027174 k( 150) = ( 0.3372174 0.6627826 -0.3372174), wk = 0.0027174 k( 151) = ( 0.3428306 0.6571694 -0.3428306), wk = 0.0027174 k( 152) = ( 0.3484438 0.6515562 -0.3484438), wk = 0.0027174 k( 153) = ( 0.3540569 0.6459431 -0.3540569), wk = 0.0027174 k( 154) = ( 0.3596701 0.6403299 -0.3596701), wk = 0.0027174 k( 155) = ( 0.3652833 0.6347167 -0.3652833), wk = 0.0027174 k( 156) = ( 0.3708965 0.6291035 -0.3708965), wk = 0.0027174 k( 157) = ( 0.3765097 0.6234903 -0.3765097), wk = 0.0027174 k( 158) = ( 0.3821229 0.6178771 -0.3821229), wk = 0.0027174 k( 159) = ( 0.3877361 0.6122639 -0.3877361), wk = 0.0027174 k( 160) = ( 0.3933493 0.6066507 -0.3933493), wk = 0.0027174 k( 161) = ( 0.3989625 0.6010375 -0.3989625), wk = 0.0027174 k( 162) = ( 0.4045757 0.5954243 -0.4045757), wk = 0.0027174 k( 163) = ( 0.4101889 0.5898111 -0.4101889), wk = 0.0027174 k( 164) = ( 0.4158021 0.5841979 -0.4158021), wk = 0.0027174 k( 165) = ( 0.4214153 0.5785847 -0.4214153), wk = 0.0027174 k( 166) = ( 0.4270285 0.5729715 -0.4270285), wk = 0.0027174 k( 167) = ( 0.4326417 0.5673583 -0.4326417), wk = 0.0027174 k( 168) = ( 0.4382549 0.5617451 -0.4382549), wk = 0.0027174 k( 169) = ( 0.4438681 0.5561319 -0.4438681), wk = 0.0027174 k( 170) = ( 0.4494812 0.5505187 -0.4494812), wk = 0.0027174 k( 171) = ( 0.4550944 0.5449055 -0.4550945), wk = 0.0027174 k( 172) = ( 0.4607076 0.5392924 -0.4607076), wk = 0.0027174 k( 173) = ( 0.4663208 0.5336792 -0.4663208), wk = 0.0027174 k( 174) = ( 0.4719340 0.5280660 -0.4719340), wk = 0.0027174 k( 175) = ( 0.4775472 0.5224528 -0.4775472), wk = 0.0027174 k( 176) = ( 0.4831604 0.5168396 -0.4831604), wk = 0.0027174 k( 177) = ( 0.4887736 0.5112264 -0.4887736), wk = 0.0027174 k( 178) = ( 0.4943868 0.5056132 -0.4943868), wk = 0.0027174 k( 179) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027174 k( 180) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027174 k( 181) = ( 0.4852941 0.4852941 -0.4852941), wk = 0.0027174 k( 182) = ( 0.4705882 0.4705882 -0.4705882), wk = 0.0027174 k( 183) = ( 0.4558823 0.4558823 -0.4558823), wk = 0.0027174 k( 184) = ( 0.4411765 0.4411765 -0.4411765), wk = 0.0027174 k( 185) = ( 0.4264706 0.4264706 -0.4264706), wk = 0.0027174 k( 186) = ( 0.4117647 0.4117647 -0.4117647), wk = 0.0027174 k( 187) = ( 0.3970588 0.3970588 -0.3970588), wk = 0.0027174 k( 188) = ( 0.3823529 0.3823529 -0.3823529), wk = 0.0027174 k( 189) = ( 0.3676471 0.3676471 -0.3676471), wk = 0.0027174 k( 190) = ( 0.3529412 0.3529412 -0.3529412), wk = 0.0027174 k( 191) = ( 0.3382353 0.3382353 -0.3382353), wk = 0.0027174 k( 192) = ( 0.3235294 0.3235294 -0.3235294), wk = 0.0027174 k( 193) = ( 0.3088235 0.3088235 -0.3088235), wk = 0.0027174 k( 194) = ( 0.2941177 0.2941177 -0.2941177), wk = 0.0027174 k( 195) = ( 0.2794118 0.2794118 -0.2794118), wk = 0.0027174 k( 196) = ( 0.2647059 0.2647059 -0.2647059), wk = 0.0027174 k( 197) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0027174 k( 198) = ( 0.2352941 0.2352941 -0.2352941), wk = 0.0027174 k( 199) = ( 0.2205882 0.2205882 -0.2205882), wk = 0.0027174 k( 200) = ( 0.2058823 0.2058824 -0.2058824), wk = 0.0027174 k( 201) = ( 0.1911765 0.1911765 -0.1911765), wk = 0.0027174 k( 202) = ( 0.1764706 0.1764706 -0.1764706), wk = 0.0027174 k( 203) = ( 0.1617647 0.1617647 -0.1617647), wk = 0.0027174 k( 204) = ( 0.1470588 0.1470588 -0.1470588), wk = 0.0027174 k( 205) = ( 0.1323529 0.1323529 -0.1323529), wk = 0.0027174 k( 206) = ( 0.1176471 0.1176471 -0.1176471), wk = 0.0027174 k( 207) = ( 0.1029412 0.1029412 -0.1029412), wk = 0.0027174 k( 208) = ( 0.0882353 0.0882353 -0.0882353), wk = 0.0027174 k( 209) = ( 0.0735294 0.0735294 -0.0735294), wk = 0.0027174 k( 210) = ( 0.0588235 0.0588235 -0.0588235), wk = 0.0027174 k( 211) = ( 0.0441177 0.0441177 -0.0441177), wk = 0.0027174 k( 212) = ( 0.0294118 0.0294118 -0.0294118), wk = 0.0027174 k( 213) = ( 0.0147059 0.0147059 -0.0147059), wk = 0.0027174 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 215) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 216) = ( 0.0112210 -0.0112210 0.0112210), wk = 0.0027174 k( 217) = ( 0.0224419 -0.0224419 0.0224419), wk = 0.0027174 k( 218) = ( 0.0336629 -0.0336629 0.0336629), wk = 0.0027174 k( 219) = ( 0.0448839 -0.0448839 0.0448839), wk = 0.0027174 k( 220) = ( 0.0561048 -0.0561048 0.0561048), wk = 0.0027174 k( 221) = ( 0.0673258 -0.0673258 0.0673258), wk = 0.0027174 k( 222) = ( 0.0785468 -0.0785468 0.0785468), wk = 0.0027174 k( 223) = ( 0.0897678 -0.0897678 0.0897678), wk = 0.0027174 k( 224) = ( 0.1009887 -0.1009887 0.1009887), wk = 0.0027174 k( 225) = ( 0.1122097 -0.1122097 0.1122097), wk = 0.0027174 k( 226) = ( 0.1234307 -0.1234307 0.1234307), wk = 0.0027174 k( 227) = ( 0.1346517 -0.1346517 0.1346517), wk = 0.0027174 k( 228) = ( 0.1458726 -0.1458726 0.1458726), wk = 0.0027174 k( 229) = ( 0.1570936 -0.1570936 0.1570936), wk = 0.0027174 k( 230) = ( 0.1683146 -0.1683146 0.1683146), wk = 0.0027174 k( 231) = ( 0.1795355 -0.1795355 0.1795355), wk = 0.0027174 k( 232) = ( 0.1907565 -0.1907565 0.1907565), wk = 0.0027174 k( 233) = ( 0.2019775 -0.2019775 0.2019775), wk = 0.0027174 k( 234) = ( 0.2131984 -0.2131984 0.2131984), wk = 0.0027174 k( 235) = ( 0.2244194 -0.2244194 0.2244194), wk = 0.0027174 k( 236) = ( 0.2356404 -0.2356404 0.2356404), wk = 0.0027174 k( 237) = ( 0.2468614 -0.2468614 0.2468614), wk = 0.0027174 k( 238) = ( 0.2580823 -0.2580823 0.2580823), wk = 0.0027174 k( 239) = ( 0.2693033 -0.2693033 0.2693033), wk = 0.0027174 k( 240) = ( 0.2805243 -0.2805243 0.2805243), wk = 0.0027174 k( 241) = ( 0.2917452 -0.2917452 0.2917452), wk = 0.0027174 k( 242) = ( 0.3029662 -0.3029662 0.3029662), wk = 0.0027174 k( 243) = ( 0.3141872 -0.3141872 0.3141872), wk = 0.0027174 k( 244) = ( 0.3254082 -0.3254082 0.3254082), wk = 0.0027174 k( 245) = ( 0.3366291 -0.3366291 0.3366291), wk = 0.0027174 k( 246) = ( 0.3478501 -0.3478501 0.3478501), wk = 0.0027174 k( 247) = ( 0.3590711 -0.3590711 0.3590711), wk = 0.0027174 k( 248) = ( 0.3702920 -0.3702920 0.3702920), wk = 0.0027174 k( 249) = ( 0.3815130 -0.3815130 0.3815130), wk = 0.0027174 k( 250) = ( 0.3927340 -0.3927340 0.3927340), wk = 0.0027174 k( 251) = ( 0.3927340 -0.3927340 0.3927340), wk = 0.0027174 k( 252) = ( 0.3976097 -0.3748824 0.3748824), wk = 0.0027174 k( 253) = ( 0.4024854 -0.3570309 0.3570309), wk = 0.0027174 k( 254) = ( 0.4073612 -0.3391793 0.3391793), wk = 0.0027174 k( 255) = ( 0.4122369 -0.3213278 0.3213278), wk = 0.0027174 k( 256) = ( 0.4171126 -0.3034763 0.3034763), wk = 0.0027174 k( 257) = ( 0.4219883 -0.2856247 0.2856247), wk = 0.0027174 k( 258) = ( 0.4268641 -0.2677732 0.2677732), wk = 0.0027174 k( 259) = ( 0.4317398 -0.2499216 0.2499216), wk = 0.0027174 k( 260) = ( 0.4366155 -0.2320701 0.2320701), wk = 0.0027174 k( 261) = ( 0.4414913 -0.2142185 0.2142185), wk = 0.0027174 k( 262) = ( 0.4463670 -0.1963670 0.1963670), wk = 0.0027174 k( 263) = ( 0.4512427 -0.1785154 0.1785154), wk = 0.0027174 k( 264) = ( 0.4561184 -0.1606639 0.1606639), wk = 0.0027174 k( 265) = ( 0.4609942 -0.1428124 0.1428124), wk = 0.0027174 k( 266) = ( 0.4658699 -0.1249608 0.1249608), wk = 0.0027174 k( 267) = ( 0.4707456 -0.1071093 0.1071093), wk = 0.0027174 k( 268) = ( 0.4756214 -0.0892577 0.0892577), wk = 0.0027174 k( 269) = ( 0.4804971 -0.0714062 0.0714062), wk = 0.0027174 k( 270) = ( 0.4853728 -0.0535546 0.0535546), wk = 0.0027174 k( 271) = ( 0.4902485 -0.0357031 0.0357031), wk = 0.0027174 k( 272) = ( 0.4951243 -0.0178515 0.0178515), wk = 0.0027174 k( 273) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0027174 k( 274) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0027174 k( 275) = ( 0.4943182 0.0056818 0.0056818), wk = 0.0027174 k( 276) = ( 0.4886364 0.0113636 0.0113636), wk = 0.0027174 k( 277) = ( 0.4829545 0.0170454 0.0170455), wk = 0.0027174 k( 278) = ( 0.4772727 0.0227273 0.0227273), wk = 0.0027174 k( 279) = ( 0.4715909 0.0284091 0.0284091), wk = 0.0027174 k( 280) = ( 0.4659091 0.0340909 0.0340909), wk = 0.0027174 k( 281) = ( 0.4602273 0.0397727 0.0397727), wk = 0.0027174 k( 282) = ( 0.4545455 0.0454545 0.0454546), wk = 0.0027174 k( 283) = ( 0.4488636 0.0511364 0.0511364), wk = 0.0027174 k( 284) = ( 0.4431818 0.0568182 0.0568182), wk = 0.0027174 k( 285) = ( 0.4375000 0.0625000 0.0625000), wk = 0.0027174 k( 286) = ( 0.4318182 0.0681818 0.0681818), wk = 0.0027174 k( 287) = ( 0.4261364 0.0738636 0.0738636), wk = 0.0027174 k( 288) = ( 0.4204545 0.0795455 0.0795455), wk = 0.0027174 k( 289) = ( 0.4147727 0.0852273 0.0852273), wk = 0.0027174 k( 290) = ( 0.4090909 0.0909091 0.0909091), wk = 0.0027174 k( 291) = ( 0.4034091 0.0965909 0.0965909), wk = 0.0027174 k( 292) = ( 0.3977273 0.1022727 0.1022727), wk = 0.0027174 k( 293) = ( 0.3920455 0.1079545 0.1079546), wk = 0.0027174 k( 294) = ( 0.3863636 0.1136364 0.1136364), wk = 0.0027174 k( 295) = ( 0.3806818 0.1193182 0.1193182), wk = 0.0027174 k( 296) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0027174 k( 297) = ( 0.3693182 0.1306818 0.1306818), wk = 0.0027174 k( 298) = ( 0.3636364 0.1363636 0.1363636), wk = 0.0027174 k( 299) = ( 0.3579545 0.1420454 0.1420455), wk = 0.0027174 k( 300) = ( 0.3522727 0.1477273 0.1477273), wk = 0.0027174 k( 301) = ( 0.3465909 0.1534091 0.1534091), wk = 0.0027174 k( 302) = ( 0.3409091 0.1590909 0.1590909), wk = 0.0027174 k( 303) = ( 0.3352273 0.1647727 0.1647727), wk = 0.0027174 k( 304) = ( 0.3295455 0.1704546 0.1704546), wk = 0.0027174 k( 305) = ( 0.3238636 0.1761364 0.1761364), wk = 0.0027174 k( 306) = ( 0.3181818 0.1818182 0.1818182), wk = 0.0027174 k( 307) = ( 0.3125000 0.1875000 0.1875000), wk = 0.0027174 k( 308) = ( 0.3068182 0.1931818 0.1931818), wk = 0.0027174 k( 309) = ( 0.3011364 0.1988636 0.1988636), wk = 0.0027174 k( 310) = ( 0.2954545 0.2045454 0.2045454), wk = 0.0027174 k( 311) = ( 0.2897727 0.2102273 0.2102273), wk = 0.0027174 k( 312) = ( 0.2840909 0.2159091 0.2159091), wk = 0.0027174 k( 313) = ( 0.2784091 0.2215909 0.2215909), wk = 0.0027174 k( 314) = ( 0.2727273 0.2272727 0.2272727), wk = 0.0027174 k( 315) = ( 0.2670455 0.2329546 0.2329546), wk = 0.0027174 k( 316) = ( 0.2613636 0.2386364 0.2386364), wk = 0.0027174 k( 317) = ( 0.2556818 0.2443182 0.2443182), wk = 0.0027174 k( 318) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027174 k( 319) = ( 0.1794326 -0.1794326 0.6060353), wk = 0.0027174 k( 320) = ( 0.1850458 -0.1850458 0.6004222), wk = 0.0027174 k( 321) = ( 0.1906590 -0.1906590 0.5948090), wk = 0.0027174 k( 322) = ( 0.1962722 -0.1962722 0.5891958), wk = 0.0027174 k( 323) = ( 0.2018854 -0.2018854 0.5835826), wk = 0.0027174 k( 324) = ( 0.2074986 -0.2074986 0.5779694), wk = 0.0027174 k( 325) = ( 0.2131117 -0.2131117 0.5723562), wk = 0.0027174 k( 326) = ( 0.2187250 -0.2187250 0.5667430), wk = 0.0027174 k( 327) = ( 0.2243381 -0.2243381 0.5611298), wk = 0.0027174 k( 328) = ( 0.2299513 -0.2299513 0.5555166), wk = 0.0027174 k( 329) = ( 0.2355645 -0.2355645 0.5499034), wk = 0.0027174 k( 330) = ( 0.2411777 -0.2411777 0.5442902), wk = 0.0027174 k( 331) = ( 0.2467909 -0.2467909 0.5386770), wk = 0.0027174 k( 332) = ( 0.2524041 -0.2524041 0.5330638), wk = 0.0027174 k( 333) = ( 0.2580173 -0.2580173 0.5274506), wk = 0.0027174 k( 334) = ( 0.2636305 -0.2636305 0.5218374), wk = 0.0027174 k( 335) = ( 0.2692437 -0.2692437 0.5162242), wk = 0.0027174 k( 336) = ( 0.2748569 -0.2748569 0.5106111), wk = 0.0027174 k( 337) = ( 0.2804701 -0.2804701 0.5049978), wk = 0.0027174 k( 338) = ( 0.2860833 -0.2860833 0.4993847), wk = 0.0027174 k( 339) = ( 0.2916965 -0.2916965 0.4937715), wk = 0.0027174 k( 340) = ( 0.2973097 -0.2973097 0.4881583), wk = 0.0027174 k( 341) = ( 0.3029229 -0.3029229 0.4825451), wk = 0.0027174 k( 342) = ( 0.3085361 -0.3085361 0.4769319), wk = 0.0027174 k( 343) = ( 0.3141492 -0.3141492 0.4713187), wk = 0.0027174 k( 344) = ( 0.3197624 -0.3197624 0.4657055), wk = 0.0027174 k( 345) = ( 0.3253756 -0.3253756 0.4600923), wk = 0.0027174 k( 346) = ( 0.3309888 -0.3309888 0.4544791), wk = 0.0027174 k( 347) = ( 0.3366020 -0.3366020 0.4488659), wk = 0.0027174 k( 348) = ( 0.3422152 -0.3422152 0.4432527), wk = 0.0027174 k( 349) = ( 0.3478284 -0.3478284 0.4376395), wk = 0.0027174 k( 350) = ( 0.3534416 -0.3534416 0.4320263), wk = 0.0027174 k( 351) = ( 0.3590548 -0.3590548 0.4264131), wk = 0.0027174 k( 352) = ( 0.3646680 -0.3646680 0.4207999), wk = 0.0027174 k( 353) = ( 0.3702812 -0.3702812 0.4151867), wk = 0.0027174 k( 354) = ( 0.3758944 -0.3758944 0.4095736), wk = 0.0027174 k( 355) = ( 0.3815076 -0.3815076 0.4039604), wk = 0.0027174 k( 356) = ( 0.3871208 -0.3871208 0.3983472), wk = 0.0027174 k( 357) = ( 0.3927340 -0.3927340 0.3927340), wk = 0.0027174 k( 358) = ( 0.6072660 0.3927340 -0.3927340), wk = 0.0027174 k( 359) = ( 0.5965394 0.4034606 -0.4034606), wk = 0.0027174 k( 360) = ( 0.5858128 0.4141872 -0.4141872), wk = 0.0027174 k( 361) = ( 0.5750862 0.4249138 -0.4249138), wk = 0.0027174 k( 362) = ( 0.5643596 0.4356404 -0.4356404), wk = 0.0027174 k( 363) = ( 0.5536330 0.4463670 -0.4463670), wk = 0.0027174 k( 364) = ( 0.5429064 0.4570936 -0.4570936), wk = 0.0027174 k( 365) = ( 0.5321798 0.4678202 -0.4678202), wk = 0.0027174 k( 366) = ( 0.5214532 0.4785468 -0.4785468), wk = 0.0027174 k( 367) = ( 0.5107266 0.4892734 -0.4892734), wk = 0.0027174 k( 368) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027174 Dense grid: 122321 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 28583 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 200, 48) NL pseudopotentials 0.26 Mb ( 100, 170) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.03 Mb ( 3399) G-vector shells 0.02 Mb ( 3085) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.59 Mb ( 200, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.25 Mb ( 170, 2, 48) The potential is recalculated from file : ./K2PtS2.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.7 secs Computing kpt #: 5 total cpu time spent up to now is 6.2 secs Computing kpt #: 6 total cpu time spent up to now is 6.7 secs Computing kpt #: 7 total cpu time spent up to now is 7.2 secs Computing kpt #: 8 total cpu time spent up to now is 7.8 secs Computing kpt #: 9 total cpu time spent up to now is 8.3 secs Computing kpt #: 10 total cpu time spent up to now is 8.8 secs Computing kpt #: 11 total cpu time spent up to now is 9.3 secs Computing kpt #: 12 total cpu time spent up to now is 9.8 secs Computing kpt #: 13 total cpu time spent up to now is 10.3 secs Computing kpt #: 14 total cpu time spent up to now is 10.9 secs Computing kpt #: 15 total cpu time spent up to now is 11.5 secs Computing kpt #: 16 total cpu time spent up to now is 12.1 secs Computing kpt #: 17 total cpu time spent up to now is 12.7 secs Computing kpt #: 18 total cpu time spent up to now is 13.4 secs Computing kpt #: 19 total cpu time spent up to now is 14.1 secs Computing kpt #: 20 total cpu time spent up to now is 14.8 secs Computing kpt #: 21 total cpu time spent up to now is 15.5 secs Computing kpt #: 22 total cpu time spent up to now is 16.3 secs Computing kpt #: 23 total cpu time spent up to now is 16.9 secs Computing kpt #: 24 total cpu time spent up to now is 17.6 secs Computing kpt #: 25 total cpu time spent up to now is 18.3 secs Computing kpt #: 26 total cpu time spent up to now is 18.9 secs Computing kpt #: 27 total cpu time spent up to now is 19.5 secs Computing kpt #: 28 total cpu time spent up to now is 20.1 secs Computing kpt #: 29 total cpu time spent up to now is 20.7 secs Computing kpt #: 30 total cpu time spent up to now is 21.2 secs Computing kpt #: 31 total cpu time spent up to now is 21.8 secs Computing kpt #: 32 total cpu time spent up to now is 22.4 secs Computing kpt #: 33 total cpu time spent up to now is 22.9 secs Computing kpt #: 34 total cpu time spent up to now is 23.5 secs Computing kpt #: 35 total cpu time spent up to now is 24.0 secs Computing kpt #: 36 total cpu time spent up to now is 24.6 secs Computing kpt #: 37 total cpu time spent up to now is 25.2 secs Computing kpt #: 38 total cpu time spent up to now is 25.8 secs Computing kpt #: 39 total cpu time spent up to now is 26.3 secs Computing kpt #: 40 total cpu time spent up to now is 27.0 secs Computing kpt #: 41 total cpu time spent up to now is 27.7 secs Computing kpt #: 42 total cpu time spent up to now is 28.8 secs Computing kpt #: 43 total cpu time spent up to now is 29.5 secs Computing kpt #: 44 total cpu time spent up to now is 30.4 secs Computing kpt #: 45 total cpu time spent up to now is 31.1 secs Computing kpt #: 46 total cpu time spent up to now is 31.7 secs Computing kpt #: 47 total cpu time spent up to now is 32.4 secs Computing kpt #: 48 total cpu time spent up to now is 33.1 secs Computing kpt #: 49 total cpu time spent up to now is 33.7 secs Computing kpt #: 50 total cpu time spent up to now is 34.4 secs Computing kpt #: 51 total cpu time spent up to now is 35.0 secs Computing kpt #: 52 total cpu time spent up to now is 35.7 secs Computing kpt #: 53 total cpu time spent up to now is 36.3 secs Computing kpt #: 54 total cpu time spent up to now is 37.0 secs Computing kpt #: 55 total cpu time spent up to now is 37.7 secs Computing kpt #: 56 total cpu time spent up to now is 38.3 secs Computing kpt #: 57 total cpu time spent up to now is 39.0 secs Computing kpt #: 58 total cpu time spent up to now is 39.6 secs Computing kpt #: 59 total cpu time spent up to now is 40.3 secs Computing kpt #: 60 total cpu time spent up to now is 41.0 secs Computing kpt #: 61 total cpu time spent up to now is 41.6 secs Computing kpt #: 62 total cpu time spent up to now is 42.3 secs Computing kpt #: 63 total cpu time spent up to now is 42.9 secs Computing kpt #: 64 total cpu time spent up to now is 43.6 secs Computing kpt #: 65 total cpu time spent up to now is 44.2 secs Computing kpt #: 66 total cpu time spent up to now is 44.8 secs Computing kpt #: 67 total cpu time spent up to now is 45.5 secs Computing kpt #: 68 total cpu time spent up to now is 46.1 secs Computing kpt #: 69 total cpu time spent up to now is 46.7 secs Computing kpt #: 70 total cpu time spent up to now is 47.3 secs Computing kpt #: 71 total cpu time spent up to now is 48.0 secs Computing kpt #: 72 total cpu time spent up to now is 48.5 secs Computing kpt #: 73 total cpu time spent up to now is 49.1 secs Computing kpt #: 74 total cpu time spent up to now is 49.6 secs Computing kpt #: 75 total cpu time spent up to now is 50.2 secs Computing kpt #: 76 total cpu time spent up to now is 50.7 secs Computing kpt #: 77 total cpu time spent up to now is 51.3 secs Computing kpt #: 78 total cpu time spent up to now is 51.8 secs Computing kpt #: 79 total cpu time spent up to now is 52.4 secs Computing kpt #: 80 total cpu time spent up to now is 52.9 secs Computing kpt #: 81 total cpu time spent up to now is 53.5 secs Computing kpt #: 82 total cpu time spent up to now is 54.0 secs Computing kpt #: 83 total cpu time spent up to now is 54.6 secs Computing kpt #: 84 total cpu time spent up to now is 55.1 secs Computing kpt #: 85 total cpu time spent up to now is 55.7 secs Computing kpt #: 86 total cpu time spent up to now is 56.2 secs Computing kpt #: 87 total cpu time spent up to now is 56.8 secs Computing kpt #: 88 total cpu time spent up to now is 57.3 secs Computing kpt #: 89 total cpu time spent up to now is 57.9 secs Computing kpt #: 90 total cpu time spent up to now is 58.4 secs Computing kpt #: 91 total cpu time spent up to now is 58.9 secs Computing kpt #: 92 total cpu time spent up to now is 59.5 secs Computing kpt #: 93 total cpu time spent up to now is 60.0 secs Computing kpt #: 94 total cpu time spent up to now is 60.6 secs Computing kpt #: 95 total cpu time spent up to now is 61.1 secs Computing kpt #: 96 total cpu time spent up to now is 61.7 secs Computing kpt #: 97 total cpu time spent up to now is 62.2 secs Computing kpt #: 98 total cpu time spent up to now is 62.7 secs Computing kpt #: 99 total cpu time spent up to now is 63.3 secs Computing kpt #: 100 total cpu time spent up to now is 63.8 secs Computing kpt #: 101 total cpu time spent up to now is 64.4 secs Computing kpt #: 102 total cpu time spent up to now is 64.9 secs Computing kpt #: 103 total cpu time spent up to now is 65.4 secs Computing kpt #: 104 total cpu time spent up to now is 66.0 secs Computing kpt #: 105 total cpu time spent up to now is 66.5 secs Computing kpt #: 106 total cpu time spent up to now is 67.0 secs Computing kpt #: 107 total cpu time spent up to now is 67.6 secs Computing kpt #: 108 total cpu time spent up to now is 68.1 secs Computing kpt #: 109 total cpu time spent up to now is 68.6 secs Computing kpt #: 110 total cpu time spent up to now is 69.2 secs Computing kpt #: 111 total cpu time spent up to now is 69.7 secs Computing kpt #: 112 total cpu time spent up to now is 70.3 secs Computing kpt #: 113 total cpu time spent up to now is 70.8 secs Computing kpt #: 114 total cpu time spent up to now is 71.4 secs Computing kpt #: 115 total cpu time spent up to now is 72.0 secs Computing kpt #: 116 total cpu time spent up to now is 72.5 secs Computing kpt #: 117 total cpu time spent up to now is 73.1 secs Computing kpt #: 118 total cpu time spent up to now is 73.7 secs Computing kpt #: 119 total cpu time spent up to now is 74.3 secs Computing kpt #: 120 total cpu time spent up to now is 75.0 secs Computing kpt #: 121 total cpu time spent up to now is 75.6 secs Computing kpt #: 122 total cpu time spent up to now is 76.2 secs Computing kpt #: 123 total cpu time spent up to now is 76.9 secs Computing kpt #: 124 total cpu time spent up to now is 77.5 secs Computing kpt #: 125 total cpu time spent up to now is 78.2 secs Computing kpt #: 126 total cpu time spent up to now is 78.8 secs Computing kpt #: 127 total cpu time spent up to now is 79.5 secs Computing kpt #: 128 total cpu time spent up to now is 80.1 secs Computing kpt #: 129 total cpu time spent up to now is 80.8 secs Computing kpt #: 130 total cpu time spent up to now is 81.4 secs Computing kpt #: 131 total cpu time spent up to now is 82.1 secs Computing kpt #: 132 total cpu time spent up to now is 85.7 secs Computing kpt #: 133 total cpu time spent up to now is 86.3 secs Computing kpt #: 134 total cpu time spent up to now is 87.0 secs Computing kpt #: 135 total cpu time spent up 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Computing kpt #: 151 total cpu time spent up to now is 97.6 secs Computing kpt #: 152 total cpu time spent up to now is 98.2 secs Computing kpt #: 153 total cpu time spent up to now is 98.7 secs Computing kpt #: 154 total cpu time spent up to now is 99.3 secs Computing kpt #: 155 total cpu time spent up to now is 99.8 secs Computing kpt #: 156 total cpu time spent up to now is 100.4 secs Computing kpt #: 157 total cpu time spent up to now is 101.0 secs Computing kpt #: 158 total cpu time spent up to now is 101.6 secs Computing kpt #: 159 total cpu time spent up to now is 102.1 secs Computing kpt #: 160 total cpu time spent up to now is 102.7 secs Computing kpt #: 161 total cpu time spent up to now is 103.4 secs Computing kpt #: 162 total cpu time spent up to now is 104.0 secs Computing kpt #: 163 total cpu time spent up to now is 104.7 secs Computing kpt #: 164 total cpu time spent up to now is 105.3 secs Computing kpt #: 165 total cpu time spent up to now is 105.9 secs Computing kpt #: 166 total cpu time spent up to now is 106.5 secs Computing kpt #: 167 total cpu time spent up to now is 107.2 secs Computing kpt #: 168 total cpu time spent up to now is 107.8 secs Computing kpt #: 169 total cpu time spent up to now is 108.5 secs Computing kpt #: 170 total cpu time spent up to now is 109.1 secs Computing kpt #: 171 total cpu time spent up to now is 109.7 secs Computing kpt #: 172 total cpu time spent up to now is 110.3 secs Computing kpt #: 173 total cpu time spent up to now is 111.0 secs Computing kpt #: 174 total cpu time spent up to now is 111.6 secs Computing kpt #: 175 total cpu time spent up to now is 112.2 secs Computing kpt #: 176 total cpu time spent up to now is 112.8 secs Computing kpt #: 177 total cpu time spent up to now is 113.4 secs Computing kpt #: 178 total cpu time spent up to now is 114.0 secs Computing kpt #: 179 total cpu time spent up to now is 114.7 secs Computing kpt #: 180 total cpu time spent up to now is 115.3 secs Computing kpt #: 181 total cpu time spent up to now is 115.9 secs Computing kpt #: 182 total cpu time spent up to now is 116.5 secs Computing kpt #: 183 total cpu time spent up to now is 117.1 secs Computing kpt #: 184 total cpu time spent up to now is 117.9 secs Computing kpt #: 185 total cpu time spent up to now is 118.5 secs Computing kpt #: 186 total cpu time spent up to now is 119.3 secs Computing kpt #: 187 total cpu time spent up to now is 120.0 secs Computing kpt #: 188 total cpu time spent up to now is 120.8 secs Computing kpt #: 189 total cpu time spent up to now is 121.5 secs Computing kpt #: 190 total cpu time spent up to now is 122.1 secs Computing kpt #: 191 total cpu time spent up to now is 122.8 secs Computing kpt #: 192 total cpu time spent up to now is 123.5 secs Computing kpt #: 193 total cpu time spent up to now is 124.2 secs Computing kpt #: 194 total cpu time spent up to now is 124.8 secs Computing kpt #: 195 total cpu time spent up to now is 125.4 secs Computing kpt #: 196 total cpu time spent up to now is 126.1 secs Computing kpt #: 197 total cpu time spent up to now is 126.8 secs Computing kpt #: 198 total cpu time spent up to now is 127.4 secs Computing kpt #: 199 total cpu time spent up to now is 128.1 secs Computing kpt #: 200 total cpu time spent up to now is 128.8 secs Computing kpt #: 201 total cpu time spent up to now is 129.4 secs Computing kpt #: 202 total cpu time spent up to now is 130.1 secs Computing kpt #: 203 total cpu time spent up to now is 130.7 secs Computing kpt #: 204 total cpu time spent up to now is 131.4 secs Computing kpt #: 205 total cpu time spent up to now is 132.1 secs Computing kpt #: 206 total cpu time spent up to now is 132.7 secs Computing kpt #: 207 total cpu time spent up to now is 133.4 secs Computing kpt #: 208 total cpu time spent up to now is 134.0 secs Computing kpt #: 209 total cpu time spent up to now is 134.7 secs Computing kpt #: 210 total cpu time spent up to now is 135.3 secs Computing kpt #: 211 total cpu time spent up to now is 136.0 secs Computing kpt #: 212 total cpu time spent up to now is 136.6 secs Computing kpt #: 213 total cpu time spent up to now is 137.2 secs Computing kpt #: 214 total cpu time spent up to now is 137.8 secs Computing kpt #: 215 total cpu time spent up to now is 138.4 secs Computing kpt #: 216 total cpu time spent up to now is 139.0 secs Computing kpt #: 217 total cpu time spent up to now is 139.6 secs Computing kpt #: 218 total cpu time spent up to now is 140.2 secs Computing kpt #: 219 total cpu time spent up to now is 140.7 secs Computing kpt #: 220 total cpu time spent up to now is 141.3 secs Computing kpt #: 221 total cpu time spent up to now is 141.8 secs Computing kpt #: 222 total cpu time spent up to now is 142.3 secs Computing kpt #: 223 total cpu time spent up to now is 142.8 secs Computing kpt #: 224 total cpu time spent up to now is 143.4 secs Computing kpt #: 225 total cpu time spent up to now is 143.9 secs Computing kpt #: 226 total cpu time spent up to now is 144.4 secs Computing kpt #: 227 total cpu time spent up to now is 145.0 secs Computing kpt #: 228 total cpu time spent up to now is 145.5 secs Computing kpt #: 229 total cpu time spent up to now is 146.0 secs Computing kpt #: 230 total cpu time spent up to now is 146.5 secs Computing kpt #: 231 total cpu time spent up to now is 147.0 secs Computing kpt #: 232 total cpu time spent up to now is 147.6 secs Computing kpt #: 233 total cpu time spent up to now is 148.3 secs Computing kpt #: 234 total cpu time spent up to now is 148.9 secs Computing kpt #: 235 total cpu time spent up to now is 149.5 secs Computing kpt #: 236 total cpu time spent up to now is 150.1 secs Computing kpt #: 237 total cpu time spent up to now is 150.7 secs Computing kpt #: 238 total cpu time spent up to now is 151.3 secs Computing kpt #: 239 total cpu time spent up to now is 152.0 secs Computing kpt #: 240 total cpu time spent up to now is 152.6 secs Computing kpt #: 241 total cpu time spent up to now is 153.3 secs Computing kpt #: 242 total cpu time spent up to now is 153.9 secs Computing kpt #: 243 total cpu time spent up to now is 154.6 secs Computing kpt #: 244 total cpu time spent up to now is 155.2 secs Computing kpt #: 245 total cpu time spent up to now is 155.9 secs Computing kpt #: 246 total cpu time spent up to now is 156.5 secs Computing kpt #: 247 total cpu time spent up to now is 157.2 secs Computing kpt #: 248 total cpu time spent up to now is 157.8 secs Computing kpt #: 249 total cpu time spent up to now is 158.4 secs Computing kpt #: 250 total cpu time spent up to now is 159.1 secs Computing kpt #: 251 total cpu time spent up to now is 159.7 secs Computing kpt #: 252 total cpu time spent up to now is 160.4 secs Computing kpt #: 253 total cpu time spent up to now is 161.0 secs Computing kpt #: 254 total cpu time spent up to now is 161.6 secs Computing kpt #: 255 total cpu time spent up to now is 162.3 secs Computing kpt #: 256 total cpu time spent up to now is 162.9 secs Computing kpt #: 257 total cpu time spent up to now is 163.6 secs Computing kpt #: 258 total cpu time spent up to now is 164.3 secs Computing kpt #: 259 total cpu time spent up to now is 164.9 secs Computing kpt #: 260 total cpu time spent up to now is 165.6 secs Computing kpt #: 261 total cpu time spent up to now is 166.2 secs Computing kpt #: 262 total cpu time spent up to now is 166.9 secs Computing kpt #: 263 total cpu time spent up to now is 167.5 secs Computing kpt #: 264 total cpu time spent up to now is 168.2 secs Computing kpt #: 265 total cpu time spent up to now is 168.8 secs Computing kpt #: 266 total cpu time spent up to now is 169.4 secs Computing kpt #: 267 total cpu time spent up to now is 170.1 secs Computing kpt #: 268 total cpu time spent up to now is 170.7 secs Computing kpt #: 269 total cpu time spent up to now is 171.3 secs Computing kpt #: 270 total cpu time spent up to now is 171.9 secs Computing kpt #: 271 total cpu time spent up to now is 172.5 secs Computing kpt #: 272 total cpu time spent up to now is 173.1 secs Computing kpt #: 273 total cpu time spent up to now is 173.6 secs Computing kpt #: 274 total cpu time spent up to now is 174.2 secs Computing kpt #: 275 total cpu time spent up to now is 174.8 secs Computing kpt #: 276 total cpu time spent up to now is 175.3 secs Computing kpt #: 277 total cpu time spent up to now is 175.8 secs Computing kpt #: 278 total cpu time spent up to now is 176.4 secs Computing kpt #: 279 total cpu time spent up to now is 177.0 secs Computing kpt #: 280 total cpu time spent up to now is 177.5 secs Computing kpt #: 281 total cpu time spent up to now is 178.1 secs Computing kpt #: 282 total cpu time spent up to now is 178.6 secs Computing kpt #: 283 total cpu time spent up to now is 179.2 secs Computing kpt #: 284 total cpu time spent up to now is 179.9 secs Computing kpt #: 285 total cpu time spent up to now is 180.5 secs Computing kpt #: 286 total cpu time spent up to now is 181.1 secs Computing kpt #: 287 total cpu time spent up to now is 181.8 secs Computing kpt #: 288 total cpu time spent up to now is 182.5 secs Computing kpt #: 289 total cpu time spent up to now is 183.1 secs Computing kpt #: 290 total cpu time spent up to now is 183.8 secs Computing kpt #: 291 total cpu time spent up to now is 184.5 secs Computing kpt #: 292 total cpu time spent up to now is 185.2 secs Computing kpt #: 293 total cpu time spent up to now is 185.9 secs Computing kpt #: 294 total cpu time spent up to now is 186.5 secs Computing kpt #: 295 total cpu time spent up to now is 187.2 secs Computing kpt #: 296 total cpu time spent up to now is 188.0 secs Computing kpt #: 297 total cpu time spent up to now is 188.7 secs Computing kpt #: 298 total cpu time spent up to now is 189.4 secs Computing kpt #: 299 total cpu time spent up to now is 190.1 secs Computing kpt #: 300 total cpu time spent up to now is 190.9 secs Computing kpt #: 301 total cpu time spent up to now is 191.6 secs Computing kpt #: 302 total cpu time spent up to now is 192.4 secs Computing kpt #: 303 total cpu time spent up to now is 193.2 secs Computing kpt #: 304 total cpu time spent up to now is 193.8 secs Computing kpt #: 305 total cpu time spent up to now is 194.4 secs Computing kpt #: 306 total cpu time spent up to now is 194.9 secs Computing kpt #: 307 total cpu time spent up to now is 195.4 secs Computing kpt #: 308 total cpu time spent up to now is 195.9 secs Computing kpt #: 309 total cpu time spent up to now is 196.5 secs Computing kpt #: 310 total cpu time spent up to now is 197.0 secs Computing kpt #: 311 total cpu time spent up to now is 197.5 secs Computing kpt #: 312 total cpu time spent up to now is 198.0 secs Computing kpt #: 313 total cpu time spent up to now is 198.6 secs Computing kpt #: 314 total cpu time spent up to now is 199.1 secs Computing kpt #: 315 total cpu time spent up to now is 199.6 secs Computing kpt #: 316 total cpu time spent up to now is 200.2 secs Computing kpt #: 317 total cpu time spent up to now is 200.7 secs Computing kpt #: 318 total cpu time spent up to now is 201.3 secs Computing kpt #: 319 total cpu time spent up to now is 201.9 secs Computing kpt #: 320 total cpu time spent up to now is 202.5 secs Computing kpt #: 321 total cpu time spent up to now is 203.2 secs Computing kpt #: 322 total cpu time spent up to now is 203.8 secs Computing kpt #: 323 total cpu time spent up to now is 204.4 secs Computing kpt #: 324 total cpu time spent up to now is 205.0 secs Computing kpt #: 325 total cpu time spent up to now is 205.5 secs Computing kpt #: 326 total cpu time spent up to now is 206.0 secs Computing kpt #: 327 total cpu time spent up to now is 206.6 secs Computing kpt #: 328 total cpu time spent up to now is 207.2 secs Computing kpt #: 329 total cpu time spent up to now is 207.8 secs Computing kpt #: 330 total cpu time spent up to now is 208.4 secs Computing kpt #: 331 total cpu time spent up to now is 209.0 secs Computing kpt #: 332 total cpu time spent up to now is 209.6 secs Computing kpt #: 333 total cpu time spent up to now is 210.2 secs Computing kpt #: 334 total cpu time spent up to now is 210.8 secs Computing kpt #: 335 total cpu time spent up to now is 211.4 secs Computing kpt #: 336 total cpu time spent up to now is 212.0 secs Computing kpt #: 337 total cpu time spent up to now is 212.6 secs Computing kpt #: 338 total cpu time spent up to now is 213.4 secs Computing kpt #: 339 total cpu time spent up to now is 214.1 secs Computing kpt #: 340 total cpu time spent up to now is 214.7 secs Computing kpt #: 341 total cpu time spent up to now is 215.4 secs Computing kpt #: 342 total cpu time spent up to now is 216.1 secs Computing kpt #: 343 total cpu time spent up to now is 216.8 secs Computing kpt #: 344 total cpu time spent up to now is 217.5 secs Computing kpt #: 345 total cpu time spent up to now is 218.2 secs Computing kpt #: 346 total cpu time spent up to now is 218.9 secs Computing kpt #: 347 total cpu time spent up to now is 219.5 secs Computing kpt #: 348 total cpu time spent up to now is 220.2 secs Computing kpt #: 349 total cpu time spent up to now is 220.8 secs Computing kpt #: 350 total cpu time spent up to now is 221.5 secs Computing kpt #: 351 total cpu time spent up to now is 222.1 secs Computing kpt #: 352 total cpu time spent up to now is 222.8 secs Computing kpt #: 353 total cpu time spent up to now is 223.4 secs Computing kpt #: 354 total cpu time spent up to now is 224.0 secs Computing kpt #: 355 total cpu time spent up to now is 224.7 secs Computing kpt #: 356 total cpu time spent up to now is 225.3 secs Computing kpt #: 357 total cpu time spent up to now is 225.9 secs Computing kpt #: 358 total cpu time spent up to now is 226.6 secs Computing kpt #: 359 total cpu time spent up to now is 227.2 secs Computing kpt #: 360 total cpu time spent up to now is 227.8 secs Computing kpt #: 361 total cpu time spent up to now is 228.4 secs Computing kpt #: 362 total cpu time spent up to now is 229.1 secs Computing kpt #: 363 total cpu time spent up to now is 229.7 secs Computing kpt #: 364 total cpu time spent up to now is 230.3 secs Computing kpt #: 365 total cpu time spent up to now is 230.9 secs Computing kpt #: 366 total cpu time spent up to now is 231.5 secs Computing kpt #: 367 total cpu time spent up to now is 232.1 secs Computing kpt #: 368 total cpu time spent up to now is 232.8 secs ethr = 2.50E-08, avg # of iterations = 24.7 total cpu time spent up to now is 232.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3573 PWs) bands (ev): -23.2688 -23.2688 -23.2318 -23.2318 -7.0284 -7.0284 -6.8726 -6.8726 -6.8170 -6.8170 -6.6393 -6.6393 -6.6032 -6.6032 -6.5632 -6.5632 -6.5354 -6.5354 -5.0857 -5.0857 0.9697 0.9697 1.4134 1.4134 3.0845 3.0845 4.2006 4.2006 4.3352 4.3352 4.6414 4.6414 5.0630 5.0630 5.2957 5.2957 5.9090 5.9090 6.9567 6.9567 9.5217 9.5217 9.5881 9.5881 9.6316 9.6316 11.1850 11.1850 k =-0.0056 0.0066 0.0172 ( 3573 PWs) bands (ev): -23.2687 -23.2687 -23.2317 -23.2317 -7.0283 -7.0283 -6.8727 -6.8727 -6.8169 -6.8169 -6.6393 -6.6393 -6.6042 -6.6042 -6.5637 -6.5637 -6.5334 -6.5334 -5.0861 -5.0861 0.9711 0.9711 1.4144 1.4144 3.0850 3.0850 4.1874 4.1874 4.3437 4.3437 4.6330 4.6330 5.0596 5.0596 5.3081 5.3081 5.9091 5.9091 6.9555 6.9555 9.5188 9.5188 9.5892 9.5892 9.6317 9.6317 11.1870 11.1870 k =-0.0112 0.0133 0.0343 ( 3569 PWs) bands (ev): -23.2686 -23.2686 -23.2316 -23.2316 -7.0281 -7.0281 -6.8731 -6.8731 -6.8165 -6.8165 -6.6394 -6.6394 -6.6070 -6.6070 -6.5654 -6.5654 -6.5278 -6.5278 -5.0875 -5.0875 0.9751 0.9751 1.4175 1.4175 3.0866 3.0866 4.1555 4.1555 4.3597 4.3597 4.6099 4.6099 5.0539 5.0539 5.3405 5.3405 5.9097 5.9097 6.9518 6.9518 9.5074 9.5074 9.5928 9.5928 9.6346 9.6346 11.1930 11.1930 k =-0.0169 0.0199 0.0515 ( 3573 PWs) bands (ev): -23.2683 -23.2683 -23.2314 -23.2314 -7.0278 -7.0278 -6.8737 -6.8737 -6.8159 -6.8159 -6.6395 -6.6395 -6.6111 -6.6111 -6.5680 -6.5680 -6.5193 -6.5193 -5.0899 -5.0899 0.9819 0.9819 1.4226 1.4226 3.0893 3.0893 4.1147 4.1147 4.3671 4.3671 4.5803 4.5803 5.0529 5.0529 5.3839 5.3839 5.9104 5.9104 6.9456 6.9456 9.4826 9.4826 9.6001 9.6001 9.6449 9.6449 11.2030 11.2030 k =-0.0225 0.0265 0.0686 ( 3577 PWs) bands (ev): -23.2679 -23.2679 -23.2311 -23.2311 -7.0273 -7.0273 -6.8747 -6.8747 -6.8150 -6.8150 -6.6400 -6.6400 -6.6157 -6.6157 -6.5715 -6.5715 -6.5083 -6.5083 -5.0931 -5.0931 0.9914 0.9914 1.4298 1.4298 3.0930 3.0930 4.0697 4.0697 4.3495 4.3495 4.5596 4.5596 5.0603 5.0603 5.4315 5.4315 5.9113 5.9113 6.9370 6.9370 9.4434 9.4434 9.6119 9.6119 9.6643 9.6643 11.2168 11.2168 k =-0.0281 0.0332 0.0858 ( 3573 PWs) bands (ev): -23.2674 -23.2674 -23.2307 -23.2307 -7.0267 -7.0267 -6.8759 -6.8759 -6.8139 -6.8139 -6.6410 -6.6410 -6.6202 -6.6202 -6.5759 -6.5759 -6.4952 -6.4952 -5.0972 -5.0972 1.0035 1.0035 1.4391 1.4391 3.0975 3.0975 4.0226 4.0226 4.2984 4.2984 4.5575 4.5575 5.0766 5.0766 5.4795 5.4795 5.9121 5.9121 6.9260 6.9260 9.3927 9.3927 9.6275 9.6275 9.6924 9.6924 11.2345 11.2345 k =-0.0337 0.0398 0.1029 ( 3573 PWs) bands (ev): -23.2668 -23.2668 -23.2303 -23.2303 -7.0261 -7.0261 -6.8775 -6.8775 -6.8125 -6.8125 -6.6430 -6.6430 -6.6239 -6.6239 -6.5810 -6.5810 -6.4802 -6.4802 -5.1022 -5.1022 1.0183 1.0183 1.4506 1.4506 3.1029 3.1029 3.9743 3.9743 4.2222 4.2222 4.5685 4.5685 5.1008 5.1008 5.5254 5.5254 5.9127 5.9127 6.9127 6.9127 9.3338 9.3338 9.6463 9.6463 9.7283 9.7283 11.2558 11.2558 k =-0.0394 0.0464 0.1201 ( 3565 PWs) bands (ev): -23.2661 -23.2661 -23.2297 -23.2297 -7.0253 -7.0253 -6.8794 -6.8794 -6.8110 -6.8110 -6.6465 -6.6465 -6.6263 -6.6263 -6.5870 -6.5870 -6.4633 -6.4633 -5.1080 -5.1080 1.0356 1.0356 1.4641 1.4641 3.1088 3.1088 3.9257 3.9257 4.1311 4.1311 4.5845 4.5845 5.1317 5.1317 5.5677 5.5677 5.9127 5.9127 6.8969 6.8969 9.2697 9.2697 9.6679 9.6679 9.7709 9.7709 11.2808 11.2808 k =-0.0450 0.0531 0.1372 ( 3569 PWs) bands (ev): -23.2653 -23.2653 -23.2291 -23.2291 -7.0244 -7.0244 -6.8817 -6.8817 -6.8092 -6.8092 -6.6514 -6.6514 -6.6274 -6.6274 -6.5936 -6.5936 -6.4446 -6.4446 -5.1146 -5.1146 1.0556 1.0556 1.4798 1.4798 3.1149 3.1149 3.8772 3.8772 4.0312 4.0312 4.6016 4.6016 5.1683 5.1683 5.6054 5.6054 5.9121 5.9121 6.8789 6.8789 9.2028 9.2028 9.6919 9.6919 9.8194 9.8194 11.3092 11.3092 k =-0.0506 0.0597 0.1544 ( 3563 PWs) bands (ev): -23.2644 -23.2644 -23.2284 -23.2284 -7.0235 -7.0235 -6.8845 -6.8845 -6.8071 -6.8071 -6.6572 -6.6572 -6.6277 -6.6277 -6.6009 -6.6009 -6.4241 -6.4241 -5.1220 -5.1220 1.0780 1.0780 1.4976 1.4976 3.1209 3.1209 3.8290 3.8290 3.9260 3.9260 4.6184 4.6184 5.2092 5.2092 5.6377 5.6377 5.9108 5.9108 6.8585 6.8585 9.1355 9.1355 9.7181 9.7181 9.8731 9.8731 11.3408 11.3408 k =-0.0562 0.0664 0.1715 ( 3565 PWs) bands (ev): -23.2635 -23.2635 -23.2277 -23.2277 -7.0226 -7.0226 -6.8878 -6.8878 -6.8049 -6.8049 -6.6635 -6.6635 -6.6277 -6.6277 -6.6085 -6.6085 -6.4018 -6.4018 -5.1302 -5.1302 1.1029 1.1029 1.5177 1.5177 3.1261 3.1261 3.7810 3.7810 3.8186 3.8186 4.6344 4.6344 5.2534 5.2534 5.6638 5.6638 5.9088 5.9088 6.8360 6.8360 9.0696 9.0696 9.7462 9.7462 9.9313 9.9313 11.3753 11.3753 k =-0.0618 0.0730 0.1887 ( 3561 PWs) bands (ev): -23.2624 -23.2624 -23.2269 -23.2269 -7.0216 -7.0216 -6.8917 -6.8917 -6.8026 -6.8026 -6.6699 -6.6699 -6.6284 -6.6284 -6.6157 -6.6157 -6.3779 -6.3779 -5.1390 -5.1390 1.1303 1.1303 1.5400 1.5400 3.1291 3.1291 3.7053 3.7053 3.7396 3.7396 4.6494 4.6494 5.2999 5.2999 5.6830 5.6830 5.9063 5.9063 6.8114 6.8114 9.0070 9.0070 9.7759 9.7759 9.9934 9.9934 11.4126 11.4126 k =-0.0675 0.0796 0.2058 ( 3561 PWs) bands (ev): -23.2612 -23.2612 -23.2260 -23.2260 -7.0207 -7.0207 -6.8962 -6.8962 -6.8000 -6.8000 -6.6764 -6.6764 -6.6323 -6.6323 -6.6199 -6.6199 -6.3522 -6.3522 -5.1484 -5.1484 1.1599 1.1599 1.5644 1.5644 3.1279 3.1279 3.5991 3.5991 3.6949 3.6949 4.6636 4.6636 5.3475 5.3475 5.6947 5.6947 5.9040 5.9040 6.7847 6.7847 8.9489 8.9489 9.8065 9.8065 10.0587 10.0587 11.4524 11.4524 k =-0.0731 0.0863 0.2230 ( 3557 PWs) bands (ev): -23.2600 -23.2600 -23.2251 -23.2251 -7.0198 -7.0198 -6.9015 -6.9015 -6.7973 -6.7973 -6.6826 -6.6826 -6.6402 -6.6402 -6.6204 -6.6204 -6.3249 -6.3249 -5.1584 -5.1584 1.1919 1.1919 1.5911 1.5911 3.1185 3.1185 3.4978 3.4978 3.6541 3.6541 4.6770 4.6770 5.3947 5.3947 5.6985 5.6985 5.9024 5.9024 6.7560 6.7560 8.8968 8.8968 9.8378 9.8378 10.1268 10.1268 11.4942 11.4942 k =-0.0787 0.0929 0.2401 ( 3561 PWs) bands (ev): -23.2587 -23.2587 -23.2241 -23.2241 -7.0189 -7.0189 -6.9075 -6.9075 -6.7945 -6.7945 -6.6886 -6.6886 -6.6496 -6.6496 -6.6195 -6.6195 -6.2960 -6.2960 -5.1689 -5.1689 1.2261 1.2261 1.6200 1.6200 3.0936 3.0936 3.4093 3.4093 3.6172 3.6172 4.6898 4.6898 5.4394 5.4394 5.6953 5.6953 5.9019 5.9019 6.7254 6.7254 8.8516 8.8516 9.8690 9.8690 10.1970 10.1970 11.5378 11.5378 k =-0.0843 0.0995 0.2573 ( 3549 PWs) bands (ev): -23.2574 -23.2574 -23.2231 -23.2231 -7.0182 -7.0182 -6.9142 -6.9142 -6.7916 -6.7916 -6.6942 -6.6942 -6.6597 -6.6597 -6.6180 -6.6180 -6.2656 -6.2656 -5.1799 -5.1799 1.2625 1.2625 1.6510 1.6510 3.0444 3.0444 3.3421 3.3421 3.5854 3.5854 4.7021 4.7021 5.4774 5.4774 5.6879 5.6879 5.9030 5.9030 6.6930 6.6930 8.8141 8.8141 9.8997 9.8997 10.2691 10.2691 11.5826 11.5826 k =-0.0899 0.1062 0.2744 ( 3549 PWs) bands (ev): -23.2560 -23.2560 -23.2220 -23.2220 -7.0177 -7.0177 -6.9217 -6.9217 -6.7887 -6.7887 -6.6994 -6.6994 -6.6700 -6.6700 -6.6164 -6.6164 -6.2337 -6.2337 -5.1912 -5.1912 1.3009 1.3009 1.6839 1.6839 2.9687 2.9687 3.2977 3.2977 3.5601 3.5601 4.7140 4.7140 5.5015 5.5015 5.6827 5.6827 5.9061 5.9061 6.6590 6.6590 8.7850 8.7850 9.9292 9.9292 10.3426 10.3426 11.6282 11.6282 k =-0.0956 0.1128 0.2916 ( 3551 PWs) bands (ev): -23.2545 -23.2545 -23.2209 -23.2209 -7.0173 -7.0173 -6.9300 -6.9300 -6.7857 -6.7857 -6.7041 -6.7041 -6.6804 -6.6804 -6.6146 -6.6146 -6.2004 -6.2004 -5.2029 -5.2029 1.3413 1.3413 1.7186 1.7186 2.8746 2.8746 3.2670 3.2670 3.5428 3.5428 4.7254 4.7254 5.5020 5.5020 5.6878 5.6878 5.9122 5.9122 6.6234 6.6234 8.7645 8.7645 9.9568 9.9568 10.4172 10.4172 11.6738 11.6738 k =-0.1012 0.1194 0.3087 ( 3539 PWs) bands (ev): -23.2530 -23.2530 -23.2198 -23.2198 -7.0173 -7.0173 -6.9390 -6.9390 -6.7829 -6.7829 -6.7083 -6.7083 -6.6906 -6.6906 -6.6128 -6.6128 -6.1659 -6.1659 -5.2148 -5.2148 1.3837 1.3837 1.7547 1.7547 2.7717 2.7717 3.2408 3.2408 3.5342 3.5342 4.7365 4.7365 5.4775 5.4775 5.7024 5.7024 5.9234 5.9234 6.5865 6.5865 8.7528 8.7528 9.9817 9.9817 10.4927 10.4927 11.7180 11.7180 k =-0.1068 0.1261 0.3259 ( 3543 PWs) bands (ev): -23.2515 -23.2515 -23.2187 -23.2187 -7.0176 -7.0176 -6.9487 -6.9487 -6.7803 -6.7803 -6.7121 -6.7121 -6.7004 -6.7004 -6.6108 -6.6108 -6.1302 -6.1302 -5.2270 -5.2270 1.4280 1.4280 1.7914 1.7914 2.6659 2.6659 3.2142 3.2142 3.5342 3.5342 4.7472 4.7472 5.4347 5.4347 5.7170 5.7170 5.9423 5.9423 6.5485 6.5485 8.7498 8.7498 10.0033 10.0033 10.5687 10.5687 11.7579 11.7579 k =-0.1124 0.1327 0.3430 ( 3543 PWs) bands (ev): -23.2499 -23.2499 -23.2175 -23.2175 -7.0184 -7.0184 -6.9588 -6.9588 -6.7781 -6.7781 -6.7159 -6.7159 -6.7090 -6.7090 -6.6089 -6.6089 -6.0934 -6.0934 -5.2392 -5.2392 1.4741 1.4741 1.8277 1.8277 2.5615 2.5615 3.1856 3.1856 3.5418 3.5418 4.7576 4.7576 5.3797 5.3797 5.7237 5.7237 5.9704 5.9704 6.5099 6.5099 8.7552 8.7552 10.0209 10.0209 10.6451 10.6451 11.7835 11.7835 k =-0.1181 0.1393 0.3602 ( 3547 PWs) bands (ev): -23.2483 -23.2483 -23.2164 -23.2164 -7.0197 -7.0197 -6.9693 -6.9693 -6.7765 -6.7765 -6.7212 -6.7212 -6.7147 -6.7147 -6.6069 -6.6069 -6.0556 -6.0556 -5.2515 -5.2515 1.5219 1.5219 1.8609 1.8609 2.4624 2.4624 3.1552 3.1552 3.5556 3.5556 4.7676 4.7676 5.3157 5.3157 5.7205 5.7205 6.0064 6.0064 6.4711 6.4711 8.7686 8.7686 10.0337 10.0337 10.7217 10.7217 11.7615 11.7615 k =-0.1237 0.1460 0.3773 ( 3545 PWs) bands (ev): -23.2467 -23.2467 -23.2152 -23.2152 -7.0218 -7.0218 -6.9798 -6.9798 -6.7760 -6.7760 -6.7275 -6.7275 -6.7175 -6.7175 -6.6049 -6.6049 -6.0171 -6.0171 -5.2637 -5.2637 1.5715 1.5715 1.8865 1.8865 2.3743 2.3743 3.1236 3.1236 3.5744 3.5744 4.7773 4.7773 5.2448 5.2448 5.7082 5.7082 6.0468 6.0468 6.4335 6.4335 8.7895 8.7895 10.0413 10.0413 10.7983 10.7983 11.6781 11.6781 k =-0.1293 0.1526 0.3945 ( 3555 PWs) bands (ev): -23.2451 -23.2451 -23.2141 -23.2141 -7.0250 -7.0250 -6.9901 -6.9901 -6.7770 -6.7770 -6.7326 -6.7326 -6.7192 -6.7192 -6.6030 -6.6030 -5.9778 -5.9778 -5.2759 -5.2759 1.6227 1.6227 1.8955 1.8955 2.3068 2.3068 3.0913 3.0913 3.5969 3.5969 4.7865 4.7865 5.1683 5.1683 5.6884 5.6884 6.0869 6.0869 6.3992 6.3992 8.8171 8.8171 10.0430 10.0430 10.8746 10.8746 11.5733 11.5733 k =-0.1349 0.1593 0.4116 ( 3543 PWs) bands (ev): -23.2434 -23.2434 -23.2129 -23.2129 -7.0297 -7.0297 -6.9995 -6.9995 -6.7797 -6.7797 -6.7358 -6.7358 -6.7201 -6.7201 -6.6011 -6.6011 -5.9380 -5.9380 -5.2878 -5.2878 1.6756 1.6756 1.8765 1.8765 2.2719 2.2719 3.0591 3.0591 3.6226 3.6226 4.7952 4.7952 5.0871 5.0871 5.6624 5.6624 6.1202 6.1202 6.3731 6.3731 8.8507 8.8507 10.0387 10.0387 10.9501 10.9501 11.4664 11.4664 k =-0.1405 0.1659 0.4288 ( 3547 PWs) bands (ev): -23.2418 -23.2418 -23.2118 -23.2118 -7.0365 -7.0365 -7.0076 -7.0076 -6.7840 -6.7840 -6.7372 -6.7372 -6.7205 -6.7205 -6.5994 -6.5994 -5.8979 -5.8979 -5.2995 -5.2995 1.7297 1.7297 1.8264 1.8264 2.2730 2.2730 3.0272 3.0272 3.6507 3.6507 4.8034 4.8034 5.0022 5.0022 5.6311 5.6311 6.1372 6.1372 6.3636 6.3636 8.8896 8.8896 10.0282 10.0282 11.0235 11.0235 11.3637 11.3637 k =-0.1462 0.1725 0.4459 ( 3547 PWs) bands (ev): -23.2402 -23.2402 -23.2107 -23.2107 -7.0451 -7.0451 -7.0142 -7.0142 -6.7892 -6.7892 -6.7375 -6.7375 -6.7202 -6.7202 -6.5977 -6.5977 -5.8576 -5.8576 -5.3109 -5.3109 1.7512 1.7512 1.7890 1.7890 2.3008 2.3008 2.9960 2.9960 3.6808 3.6808 4.8106 4.8106 4.9145 4.9145 5.5951 5.5951 6.1303 6.1303 6.3774 6.3774 8.9330 8.9330 10.0115 10.0115 11.0887 11.0887 11.2729 11.2729 k =-0.1518 0.1792 0.4631 ( 3555 PWs) bands (ev): -23.2386 -23.2386 -23.2096 -23.2096 -7.0553 -7.0553 -7.0199 -7.0199 -6.7948 -6.7948 -6.7373 -6.7373 -6.7192 -6.7192 -6.5961 -6.5961 -5.8172 -5.8172 -5.3219 -5.3219 1.6703 1.6703 1.8450 1.8450 2.3443 2.3443 2.9658 2.9658 3.7124 3.7124 4.8099 4.8099 4.8319 4.8319 5.5551 5.5551 6.1034 6.1034 6.4103 6.4103 8.9802 8.9802 9.9888 9.9888 11.1049 11.1049 11.2355 11.2355 k =-0.1574 0.1858 0.4802 ( 3559 PWs) bands (ev): -23.2371 -23.2371 -23.2086 -23.2086 -7.0662 -7.0662 -7.0250 -7.0250 -6.8005 -6.8005 -6.7370 -6.7370 -6.7175 -6.7175 -6.5946 -6.5946 -5.7771 -5.7771 -5.3324 -5.3324 1.5840 1.5840 1.9041 1.9041 2.3969 2.3969 2.9368 2.9368 3.7453 3.7453 4.7293 4.7293 4.8265 4.8265 5.5115 5.5115 6.0649 6.0649 6.4534 6.4534 9.0302 9.0302 9.9606 9.9606 11.0398 11.0398 11.2844 11.2844 k =-0.1630 0.1924 0.4974 ( 3563 PWs) bands (ev): -23.2356 -23.2356 -23.2076 -23.2076 -7.0774 -7.0774 -7.0299 -7.0299 -6.8059 -6.8059 -6.7369 -6.7369 -6.7153 -6.7153 -6.5933 -6.5933 -5.7373 -5.7373 -5.3423 -5.3423 1.4973 1.4973 1.9649 1.9649 2.4550 2.4550 2.9093 2.9093 3.7790 3.7790 4.6366 4.6366 4.8314 4.8314 5.4649 5.4649 6.0202 6.0202 6.5010 6.5010 9.0824 9.0824 9.9275 9.9275 10.9587 10.9587 11.3544 11.3544 k =-0.1686 0.1991 0.5145 ( 3567 PWs) bands (ev): -23.2341 -23.2341 -23.2067 -23.2067 -7.0886 -7.0886 -7.0349 -7.0349 -6.8109 -6.8109 -6.7370 -6.7370 -6.7126 -6.7126 -6.5921 -6.5921 -5.6981 -5.6981 -5.3517 -5.3517 1.4123 1.4123 2.0272 2.0272 2.5168 2.5168 2.8834 2.8834 3.8129 3.8129 4.5431 4.5431 4.8356 4.8356 5.4158 5.4158 5.9720 5.9720 6.5502 6.5502 9.1358 9.1358 9.8901 9.8901 10.8792 10.8792 11.4281 11.4281 k =-0.1743 0.2057 0.5317 ( 3567 PWs) bands (ev): -23.2326 -23.2326 -23.2058 -23.2058 -7.0997 -7.0997 -7.0398 -7.0398 -6.8156 -6.8156 -6.7373 -6.7373 -6.7095 -6.7095 -6.5911 -6.5911 -5.6597 -5.6597 -5.3603 -5.3603 1.3302 1.3302 2.0908 2.0908 2.5807 2.5807 2.8596 2.8596 3.8465 3.8465 4.4501 4.4501 4.8385 4.8385 5.3649 5.3649 5.9217 5.9217 6.5993 6.5993 9.1898 9.1898 9.8493 9.8493 10.8040 10.8040 11.5027 11.5027 k =-0.1799 0.2123 0.5488 ( 3565 PWs) bands (ev): -23.2313 -23.2313 -23.2050 -23.2050 -7.1104 -7.1104 -7.0448 -7.0448 -6.8199 -6.8199 -6.7379 -6.7379 -6.7062 -6.7062 -6.5903 -6.5903 -5.6223 -5.6223 -5.3682 -5.3682 1.2517 1.2517 2.1556 2.1556 2.6453 2.6453 2.8388 2.8388 3.8783 3.8783 4.3590 4.3590 4.8396 4.8396 5.3133 5.3133 5.8701 5.8701 6.6474 6.6474 9.2435 9.2435 9.8059 9.8059 10.7341 10.7341 11.5774 11.5774 k =-0.1855 0.2190 0.5660 ( 3563 PWs) bands (ev): -23.2299 -23.2299 -23.2042 -23.2042 -7.1206 -7.1206 -7.0498 -7.0498 -6.8238 -6.8238 -6.7387 -6.7387 -6.7028 -6.7028 -6.5896 -6.5896 -5.5862 -5.5862 -5.3754 -5.3754 1.1776 1.1776 2.2215 2.2215 2.7075 2.7075 2.8234 2.8234 3.9057 3.9057 4.2728 4.2728 4.8383 4.8383 5.2621 5.2621 5.8176 5.8176 6.6936 6.6936 9.2961 9.2961 9.7609 9.7609 10.6697 10.6697 11.6517 11.6517 k =-0.1911 0.2256 0.5831 ( 3559 PWs) bands (ev): -23.2286 -23.2286 -23.2035 -23.2035 -7.1304 -7.1304 -7.0547 -7.0547 -6.8274 -6.8274 -6.7399 -6.7399 -6.6993 -6.6993 -6.5891 -6.5891 -5.5516 -5.5516 -5.3816 -5.3816 1.1082 1.1082 2.2879 2.2879 2.7541 2.7541 2.8264 2.8264 3.9224 3.9224 4.1976 4.1976 4.8335 4.8335 5.2129 5.2129 5.7649 5.7649 6.7372 6.7372 9.3469 9.3469 9.7153 9.7153 10.6108 10.6108 11.7253 11.7253 k =-0.1968 0.2322 0.6003 ( 3563 PWs) bands (ev): -23.2275 -23.2275 -23.2029 -23.2029 -7.1396 -7.1396 -7.0594 -7.0594 -6.8308 -6.8308 -6.7412 -6.7412 -6.6957 -6.6957 -6.5888 -6.5888 -5.5186 -5.5186 -5.3869 -5.3869 1.0440 1.0440 2.3541 2.3541 2.7630 2.7630 2.8699 2.8699 3.9146 3.9146 4.1474 4.1474 4.8240 4.8240 5.1678 5.1678 5.7121 5.7121 6.7778 6.7778 9.3950 9.3950 9.6701 9.6701 10.5576 10.5576 11.7980 11.7980 k =-0.2024 0.2389 0.6174 ( 3573 PWs) bands (ev): -23.2264 -23.2264 -23.2024 -23.2024 -7.1481 -7.1481 -7.0638 -7.0638 -6.8340 -6.8340 -6.7429 -6.7429 -6.6921 -6.6921 -6.5887 -6.5887 -5.4877 -5.4877 -5.3912 -5.3912 0.9853 0.9853 2.4189 2.4189 2.7584 2.7584 2.9300 2.9300 3.8707 3.8707 4.1337 4.1337 4.8086 4.8086 5.1290 5.1290 5.6598 5.6598 6.8147 6.8147 9.4398 9.4398 9.6264 9.6264 10.5099 10.5099 11.8694 11.8694 k =-0.2080 0.2455 0.6346 ( 3569 PWs) bands (ev): -23.2253 -23.2253 -23.2019 -23.2019 -7.1560 -7.1560 -7.0679 -7.0679 -6.8370 -6.8370 -6.7449 -6.7449 -6.6886 -6.6886 -6.5887 -6.5887 -5.4591 -5.4591 -5.3943 -5.3943 0.9326 0.9326 2.4797 2.4797 2.7570 2.7570 2.9916 2.9916 3.8007 3.8007 4.1464 4.1464 4.7863 4.7863 5.0986 5.0986 5.6082 5.6082 6.8472 6.8472 9.4804 9.4804 9.5851 9.5851 10.4676 10.4676 11.9394 11.9394 k =-0.2136 0.2521 0.6517 ( 3561 PWs) bands (ev): -23.2243 -23.2243 -23.2015 -23.2015 -7.1632 -7.1632 -7.0716 -7.0716 -6.8399 -6.8399 -6.7471 -6.7471 -6.6851 -6.6851 -6.5889 -6.5889 -5.4335 -5.4335 -5.3957 -5.3957 0.8859 0.8859 2.5316 2.5316 2.7661 2.7661 3.0506 3.0506 3.7200 3.7200 4.1702 4.1702 4.7576 4.7576 5.0773 5.0773 5.5579 5.5579 6.8749 6.8749 9.5157 9.5157 9.5479 9.5479 10.4305 10.4305 12.0074 12.0074 k =-0.2192 0.2588 0.6689 ( 3569 PWs) bands (ev): -23.2235 -23.2235 -23.2012 -23.2012 -7.1696 -7.1696 -7.0749 -7.0749 -6.8429 -6.8429 -6.7497 -6.7497 -6.6817 -6.6817 -6.5893 -6.5893 -5.4137 -5.4137 -5.3929 -5.3929 0.8456 0.8456 2.5687 2.5687 2.7923 2.7923 3.1049 3.1049 3.6361 3.6361 4.1976 4.1976 4.7246 4.7246 5.0646 5.0646 5.5093 5.5093 6.8971 6.8971 9.5122 9.5122 9.5484 9.5484 10.3985 10.3985 12.0731 12.0731 k =-0.2249 0.2654 0.6860 ( 3569 PWs) bands (ev): -23.2227 -23.2227 -23.2010 -23.2010 -7.1752 -7.1752 -7.0776 -7.0776 -6.8458 -6.8458 -6.7526 -6.7526 -6.6783 -6.6783 -6.5898 -6.5898 -5.4054 -5.4054 -5.3800 -5.3800 0.8120 0.8120 2.5885 2.5885 2.8378 2.8378 3.1518 3.1518 3.5531 3.5531 4.2251 4.2251 4.6905 4.6905 5.0591 5.0591 5.4629 5.4629 6.9134 6.9134 9.4843 9.4843 9.5727 9.5727 10.3715 10.3715 12.1359 12.1359 k =-0.2305 0.2721 0.7032 ( 3573 PWs) bands (ev): -23.2221 -23.2221 -23.2009 -23.2009 -7.1801 -7.1801 -7.0798 -7.0798 -6.8487 -6.8487 -6.7559 -6.7559 -6.6750 -6.6750 -6.5904 -6.5904 -5.4029 -5.4029 -5.3631 -5.3631 0.7851 0.7851 2.5958 2.5958 2.8973 2.8973 3.1876 3.1876 3.4747 3.4747 4.2509 4.2509 4.6587 4.6587 5.0594 5.0594 5.4194 5.4194 6.9234 6.9234 9.4618 9.4618 9.5911 9.5911 10.3490 10.3490 12.1936 12.1936 k =-0.2361 0.2787 0.7203 ( 3573 PWs) bands (ev): -23.2214 -23.2214 -23.2009 -23.2009 -7.1842 -7.1842 -7.0813 -7.0813 -6.8518 -6.8518 -6.7594 -6.7594 -6.6719 -6.6719 -6.5912 -6.5912 -5.4007 -5.4007 -5.3478 -5.3478 0.7651 0.7651 2.5964 2.5964 2.9642 2.9642 3.2043 3.2043 3.4086 3.4086 4.2737 4.2737 4.6326 4.6326 5.0639 5.0639 5.3795 5.3795 6.9266 6.9266 9.4459 9.4459 9.6030 9.6030 10.3310 10.3310 12.1605 12.1605 k =-0.2417 0.2853 0.7375 ( 3567 PWs) bands (ev): -23.2209 -23.2209 -23.2010 -23.2010 -7.1875 -7.1875 -7.0823 -7.0823 -6.8550 -6.8550 -6.7633 -6.7633 -6.6688 -6.6688 -6.5921 -6.5921 -5.3978 -5.3978 -5.3350 -5.3350 0.7522 0.7522 2.5937 2.5937 3.0329 3.0329 3.1885 3.1885 3.3691 3.3691 4.2924 4.2924 4.6148 4.6148 5.0716 5.0716 5.3445 5.3445 6.9230 6.9230 9.4370 9.4370 9.6081 9.6081 10.3173 10.3173 12.1050 12.1050 k =-0.2473 0.2920 0.7546 ( 3569 PWs) bands (ev): -23.2205 -23.2205 -23.2012 -23.2012 -7.1901 -7.1901 -7.0826 -7.0826 -6.8582 -6.8582 -6.7675 -6.7675 -6.6659 -6.6659 -6.5930 -6.5930 -5.3941 -5.3941 -5.3251 -5.3251 0.7465 0.7465 2.5895 2.5895 3.0968 3.0968 3.1384 3.1384 3.3614 3.3614 4.3061 4.3061 4.6072 4.6072 5.0809 5.0809 5.3159 5.3159 6.9123 6.9123 9.4354 9.4354 9.6063 9.6063 10.3076 10.3076 12.0517 12.0517 k =-0.2530 0.2986 0.7718 ( 3577 PWs) bands (ev): -23.2202 -23.2202 -23.2015 -23.2015 -7.1920 -7.1920 -7.0824 -7.0824 -6.8616 -6.8616 -6.7719 -6.7719 -6.6631 -6.6631 -6.5941 -6.5941 -5.3894 -5.3894 -5.3182 -5.3182 0.7478 0.7478 2.5844 2.5844 3.0696 3.0696 3.1481 3.1481 3.3767 3.3767 4.3143 4.3143 4.6109 4.6109 5.0897 5.0897 5.2959 5.2959 6.8948 6.8948 9.4413 9.4413 9.5977 9.5977 10.3018 10.3018 12.0009 12.0009 k =-0.2586 0.3052 0.7889 ( 3573 PWs) bands (ev): -23.2200 -23.2200 -23.2019 -23.2019 -7.1932 -7.1932 -7.0814 -7.0814 -6.8651 -6.8651 -6.7766 -6.7766 -6.6604 -6.6604 -6.5951 -6.5951 -5.3837 -5.3837 -5.3143 -5.3143 0.7564 0.7564 2.5784 2.5784 2.9976 2.9976 3.1711 3.1711 3.4154 3.4154 4.3167 4.3167 4.6257 4.6257 5.0956 5.0956 5.2874 5.2874 6.8707 6.8707 9.4546 9.4546 9.5823 9.5823 10.2998 10.2998 11.9526 11.9526 k =-0.2642 0.3119 0.8061 ( 3575 PWs) bands (ev): -23.2199 -23.2199 -23.2024 -23.2024 -7.1939 -7.1939 -7.0799 -7.0799 -6.8687 -6.8687 -6.7815 -6.7815 -6.6578 -6.6578 -6.5963 -6.5963 -5.3771 -5.3771 -5.3133 -5.3133 0.7720 0.7720 2.5709 2.5709 2.9261 2.9261 3.1644 3.1644 3.4765 3.4765 4.3134 4.3134 4.6506 4.6506 5.0965 5.0965 5.2923 5.2923 6.8403 6.8403 9.4751 9.4751 9.5603 9.5603 10.3017 10.3017 11.9070 11.9070 k =-0.2698 0.3185 0.8233 ( 3579 PWs) bands (ev): -23.2200 -23.2200 -23.2030 -23.2030 -7.1939 -7.1939 -7.0778 -7.0778 -6.8724 -6.8724 -6.7865 -6.7865 -6.6554 -6.6554 -6.5975 -6.5975 -5.3696 -5.3696 -5.3152 -5.3152 0.7946 0.7946 2.5605 2.5605 2.8585 2.8585 3.1359 3.1359 3.5517 3.5517 4.3048 4.3048 4.6839 4.6839 5.0929 5.0929 5.3102 5.3102 6.8042 6.8042 9.5018 9.5018 9.5327 9.5327 10.3075 10.3075 11.8642 11.8642 k =-0.2755 0.3251 0.8404 ( 3571 PWs) bands (ev): -23.2200 -23.2200 -23.2037 -23.2037 -7.1935 -7.1935 -7.0751 -7.0751 -6.8760 -6.8760 -6.7917 -6.7917 -6.6530 -6.6530 -6.5987 -6.5987 -5.3612 -5.3612 -5.3198 -5.3198 0.8242 0.8242 2.5443 2.5443 2.7983 2.7983 3.0932 3.0932 3.6340 3.6340 4.2915 4.2915 4.7232 4.7232 5.0873 5.0873 5.3386 5.3386 6.7629 6.7629 9.4965 9.4965 9.5378 9.5378 10.3173 10.3173 11.8240 11.8240 k =-0.2811 0.3318 0.8576 ( 3571 PWs) bands (ev): -23.2202 -23.2202 -23.2044 -23.2044 -7.1928 -7.1928 -7.0719 -7.0719 -6.8796 -6.8796 -6.7968 -6.7968 -6.6508 -6.6508 -6.5999 -6.5999 -5.3522 -5.3522 -5.3269 -5.3269 0.8605 0.8605 2.5185 2.5185 2.7500 2.7500 3.0408 3.0408 3.7193 3.7193 4.2748 4.2748 4.7659 4.7659 5.0824 5.0824 5.3748 5.3748 6.7169 6.7169 9.4573 9.4573 9.5771 9.5771 10.3312 10.3312 11.7864 11.7864 k =-0.2867 0.3384 0.8747 ( 3573 PWs) bands (ev): -23.2205 -23.2205 -23.2053 -23.2053 -7.1919 -7.1919 -7.0683 -7.0683 -6.8831 -6.8831 -6.8018 -6.8018 -6.6487 -6.6487 -6.6011 -6.6011 -5.3441 -5.3441 -5.3347 -5.3347 0.9033 0.9033 2.4800 2.4800 2.7166 2.7166 2.9820 2.9820 3.8047 3.8047 4.2564 4.2564 4.8091 4.8091 5.0811 5.0811 5.4167 5.4167 6.6670 6.6670 9.4129 9.4129 9.6224 9.6224 10.3492 10.3492 11.7513 11.7513 k =-0.2867 0.3384 0.8747 ( 3573 PWs) bands (ev): -23.2205 -23.2205 -23.2053 -23.2053 -7.1919 -7.1919 -7.0683 -7.0683 -6.8831 -6.8831 -6.8018 -6.8018 -6.6487 -6.6487 -6.6011 -6.6011 -5.3441 -5.3441 -5.3347 -5.3347 0.9033 0.9033 2.4800 2.4800 2.7166 2.7166 2.9820 2.9820 3.8047 3.8047 4.2564 4.2564 4.8091 4.8091 5.0811 5.0811 5.4167 5.4167 6.6670 6.6670 9.4129 9.4129 9.6224 9.6224 10.3492 10.3492 11.7513 11.7513 k =-0.2760 0.3257 0.8831 ( 3573 PWs) bands (ev): -23.2205 -23.2205 -23.2053 -23.2053 -7.1918 -7.1918 -7.0684 -7.0684 -6.8832 -6.8832 -6.8016 -6.8016 -6.6487 -6.6487 -6.6011 -6.6011 -5.3449 -5.3449 -5.3340 -5.3340 0.9035 0.9035 2.4794 2.4794 2.7159 2.7159 2.9838 2.9838 3.8040 3.8040 4.2562 4.2562 4.8093 4.8093 5.0812 5.0812 5.4170 5.4170 6.6672 6.6672 9.4089 9.4089 9.6233 9.6233 10.3508 10.3508 11.7515 11.7515 k =-0.2652 0.3131 0.8915 ( 3568 PWs) bands (ev): -23.2205 -23.2205 -23.2052 -23.2052 -7.1915 -7.1915 -7.0687 -7.0687 -6.8835 -6.8835 -6.8011 -6.8011 -6.6487 -6.6487 -6.6010 -6.6010 -5.3470 -5.3470 -5.3324 -5.3324 0.9040 0.9040 2.4776 2.4776 2.7140 2.7140 2.9894 2.9894 3.8017 3.8017 4.2553 4.2553 4.8098 4.8098 5.0817 5.0817 5.4178 5.4178 6.6677 6.6677 9.3973 9.3973 9.6260 9.6260 10.3558 10.3558 11.7519 11.7519 k =-0.2545 0.3004 0.8999 ( 3568 PWs) bands (ev): -23.2206 -23.2206 -23.2052 -23.2052 -7.1910 -7.1910 -7.0692 -7.0692 -6.8840 -6.8840 -6.8002 -6.8002 -6.6487 -6.6487 -6.6010 -6.6010 -5.3498 -5.3498 -5.3305 -5.3305 0.9049 0.9049 2.4747 2.4747 2.7110 2.7110 2.9983 2.9983 3.7979 3.7979 4.2539 4.2539 4.8107 4.8107 5.0826 5.0826 5.4192 5.4192 6.6684 6.6684 9.3783 9.3783 9.6305 9.6305 10.3641 10.3641 11.7526 11.7526 k =-0.2438 0.2878 0.9084 ( 3574 PWs) bands (ev): -23.2206 -23.2206 -23.2052 -23.2052 -7.1903 -7.1903 -7.0698 -7.0698 -6.8847 -6.8847 -6.7989 -6.7989 -6.6487 -6.6487 -6.6008 -6.6008 -5.3529 -5.3529 -5.3286 -5.3286 0.9060 0.9060 2.4708 2.4708 2.7072 2.7072 3.0101 3.0101 3.7927 3.7927 4.2520 4.2520 4.8119 4.8119 5.0837 5.0837 5.4211 5.4211 6.6695 6.6695 9.3526 9.3526 9.6365 9.6365 10.3757 10.3757 11.7537 11.7537 k =-0.2331 0.2751 0.9168 ( 3578 PWs) bands (ev): -23.2207 -23.2207 -23.2052 -23.2052 -7.1895 -7.1895 -7.0706 -7.0706 -6.8855 -6.8855 -6.7974 -6.7974 -6.6487 -6.6487 -6.6007 -6.6007 -5.3562 -5.3562 -5.3267 -5.3267 0.9075 0.9075 2.4659 2.4659 2.7030 2.7030 3.0244 3.0244 3.7860 3.7860 4.2496 4.2496 4.8134 4.8134 5.0851 5.0851 5.4235 5.4235 6.6709 6.6709 9.3212 9.3212 9.6442 9.6442 10.3905 10.3905 11.7552 11.7552 k =-0.2223 0.2624 0.9252 ( 3578 PWs) bands (ev): -23.2207 -23.2207 -23.2051 -23.2051 -7.1885 -7.1885 -7.0716 -7.0716 -6.8863 -6.8863 -6.7957 -6.7957 -6.6486 -6.6486 -6.6005 -6.6005 -5.3597 -5.3597 -5.3250 -5.3250 0.9093 0.9093 2.4602 2.4602 2.6987 2.6987 3.0408 3.0408 3.7780 3.7780 4.2468 4.2468 4.8151 4.8151 5.0868 5.0868 5.4265 5.4265 6.6725 6.6725 9.2848 9.2848 9.6533 9.6533 10.4083 10.4083 11.7573 11.7573 k =-0.2116 0.2498 0.9336 ( 3572 PWs) bands (ev): -23.2207 -23.2207 -23.2051 -23.2051 -7.1873 -7.1873 -7.0727 -7.0727 -6.8872 -6.8872 -6.7937 -6.7937 -6.6486 -6.6486 -6.6003 -6.6003 -5.3633 -5.3633 -5.3235 -5.3235 0.9113 0.9113 2.4540 2.4540 2.6944 2.6944 3.0588 3.0588 3.7687 3.7687 4.2436 4.2436 4.8170 4.8170 5.0887 5.0887 5.4300 5.4300 6.6745 6.6745 9.2447 9.2447 9.6638 9.6638 10.4291 10.4291 11.7601 11.7601 k =-0.2009 0.2371 0.9420 ( 3571 PWs) bands (ev): -23.2208 -23.2208 -23.2050 -23.2050 -7.1861 -7.1861 -7.0739 -7.0739 -6.8880 -6.8880 -6.7917 -6.7917 -6.6487 -6.6487 -6.6000 -6.6000 -5.3671 -5.3671 -5.3221 -5.3221 0.9136 0.9136 2.4472 2.4472 2.6904 2.6904 3.0781 3.0781 3.7581 3.7581 4.2401 4.2401 4.8192 4.8192 5.0908 5.0908 5.4340 5.4340 6.6768 6.6768 9.2016 9.2016 9.6754 9.6754 10.4528 10.4528 11.7634 11.7634 k =-0.1902 0.2245 0.9504 ( 3569 PWs) bands (ev): -23.2209 -23.2209 -23.2049 -23.2049 -7.1847 -7.1847 -7.0751 -7.0751 -6.8888 -6.8888 -6.7895 -6.7895 -6.6487 -6.6487 -6.5997 -6.5997 -5.3710 -5.3710 -5.3210 -5.3210 0.9160 0.9160 2.4403 2.4403 2.6867 2.6867 3.0982 3.0982 3.7464 3.7464 4.2364 4.2364 4.8214 4.8214 5.0930 5.0930 5.4385 5.4385 6.6793 6.6793 9.1567 9.1567 9.6880 9.6880 10.4791 10.4791 11.7675 11.7675 k =-0.1794 0.2118 0.9588 ( 3571 PWs) bands (ev): -23.2209 -23.2209 -23.2049 -23.2049 -7.1832 -7.1832 -7.0765 -7.0765 -6.8895 -6.8895 -6.7872 -6.7872 -6.6488 -6.6488 -6.5993 -6.5993 -5.3749 -5.3749 -5.3200 -5.3200 0.9186 0.9186 2.4332 2.4332 2.6833 2.6833 3.1190 3.1190 3.7337 3.7337 4.2324 4.2324 4.8237 4.8237 5.0953 5.0953 5.4434 5.4434 6.6821 6.6821 9.1109 9.1109 9.7014 9.7014 10.5078 10.5078 11.7723 11.7723 k =-0.1794 0.2118 0.9588 ( 3571 PWs) bands (ev): -23.2209 -23.2209 -23.2049 -23.2049 -7.1832 -7.1832 -7.0765 -7.0765 -6.8895 -6.8895 -6.7872 -6.7872 -6.6488 -6.6488 -6.5993 -6.5993 -5.3749 -5.3749 -5.3200 -5.3200 0.9186 0.9186 2.4332 2.4332 2.6833 2.6833 3.1190 3.1190 3.7337 3.7337 4.2324 4.2324 4.8237 4.8237 5.0953 5.0953 5.4434 5.4434 6.6821 6.6821 9.1109 9.1109 9.7014 9.7014 10.5078 10.5078 11.7723 11.7723 k =-0.1675 0.1977 0.9588 ( 3567 PWs) bands (ev): -23.2208 -23.2208 -23.2045 -23.2045 -7.1830 -7.1830 -7.0790 -7.0790 -6.8885 -6.8885 -6.7837 -6.7837 -6.6495 -6.6495 -6.5984 -6.5984 -5.3757 -5.3757 -5.3208 -5.3208 0.9017 0.9017 2.4489 2.4489 2.6868 2.6868 3.1655 3.1655 3.6870 3.6870 4.2388 4.2388 4.8057 4.8057 5.0969 5.0969 5.4277 5.4277 6.7038 6.7038 9.0878 9.0878 9.6955 9.6955 10.5306 10.5306 11.7860 11.7860 k =-0.1555 0.1836 0.9588 ( 3573 PWs) bands (ev): -23.2207 -23.2207 -23.2041 -23.2041 -7.1829 -7.1829 -7.0814 -7.0814 -6.8874 -6.8874 -6.7804 -6.7804 -6.6502 -6.6502 -6.5975 -6.5975 -5.3765 -5.3765 -5.3217 -5.3217 0.8862 0.8862 2.4636 2.4636 2.6916 2.6916 3.2110 3.2110 3.6409 3.6409 4.2451 4.2451 4.7865 4.7865 5.0999 5.0999 5.4126 5.4126 6.7241 6.7241 9.0641 9.0641 9.6915 9.6915 10.5570 10.5570 11.7981 11.7981 k =-0.1435 0.1694 0.9588 ( 3573 PWs) bands (ev): -23.2207 -23.2207 -23.2037 -23.2037 -7.1830 -7.1830 -7.0837 -7.0837 -6.8862 -6.8862 -6.7772 -6.7772 -6.6508 -6.6508 -6.5966 -6.5966 -5.3772 -5.3772 -5.3227 -5.3227 0.8720 0.8720 2.4772 2.4772 2.6979 2.6979 3.2542 3.2542 3.5968 3.5968 4.2514 4.2514 4.7665 4.7665 5.1040 5.1040 5.3980 5.3980 6.7430 6.7430 9.0402 9.0402 9.6893 9.6893 10.5869 10.5869 11.8080 11.8080 k =-0.1316 0.1553 0.9588 ( 3568 PWs) bands (ev): -23.2206 -23.2206 -23.2033 -23.2033 -7.1831 -7.1831 -7.0858 -7.0858 -6.8850 -6.8850 -6.7743 -6.7743 -6.6515 -6.6515 -6.5957 -6.5957 -5.3777 -5.3777 -5.3239 -5.3239 0.8591 0.8591 2.4894 2.4894 2.7060 2.7060 3.2932 3.2932 3.5564 3.5564 4.2573 4.2573 4.7458 4.7458 5.1091 5.1091 5.3840 5.3840 6.7603 6.7603 9.0166 9.0166 9.6885 9.6885 10.6199 10.6199 11.8150 11.8150 k =-0.1196 0.1412 0.9588 ( 3562 PWs) bands (ev): -23.2205 -23.2205 -23.2030 -23.2030 -7.1832 -7.1832 -7.0878 -7.0878 -6.8837 -6.8837 -6.7716 -6.7716 -6.6520 -6.6520 -6.5947 -6.5947 -5.3780 -5.3780 -5.3254 -5.3254 0.8474 0.8474 2.5003 2.5003 2.7160 2.7160 3.3240 3.3240 3.5239 3.5239 4.2627 4.2627 4.7248 4.7248 5.1149 5.1149 5.3705 5.3705 6.7760 6.7760 8.9939 8.9939 9.6891 9.6891 10.6558 10.6558 11.8183 11.8183 k =-0.1077 0.1271 0.9588 ( 3558 PWs) bands (ev): -23.2205 -23.2205 -23.2027 -23.2027 -7.1835 -7.1835 -7.0896 -7.0896 -6.8824 -6.8824 -6.7690 -6.7690 -6.6526 -6.6526 -6.5938 -6.5938 -5.3780 -5.3780 -5.3271 -5.3271 0.8370 0.8370 2.5097 2.5097 2.7279 2.7279 3.3386 3.3386 3.5069 3.5069 4.2678 4.2678 4.7036 4.7036 5.1215 5.1215 5.3576 5.3576 6.7902 6.7902 8.9722 8.9722 9.6908 9.6908 10.6943 10.6943 11.8170 11.8170 k =-0.0957 0.1130 0.9588 ( 3562 PWs) bands (ev): -23.2204 -23.2204 -23.2024 -23.2024 -7.1838 -7.1838 -7.0912 -7.0912 -6.8812 -6.8812 -6.7668 -6.7668 -6.6531 -6.6531 -6.5930 -6.5930 -5.3776 -5.3776 -5.3291 -5.3291 0.8278 0.8278 2.5177 2.5177 2.7417 2.7417 3.3308 3.3308 3.5115 3.5115 4.2722 4.2722 4.6826 4.6826 5.1286 5.1286 5.3452 5.3452 6.8027 6.8027 8.9520 8.9520 9.6933 9.6933 10.7349 10.7349 11.8103 11.8103 k =-0.0837 0.0988 0.9588 ( 3563 PWs) bands (ev): -23.2204 -23.2204 -23.2022 -23.2022 -7.1841 -7.1841 -7.0927 -7.0927 -6.8800 -6.8800 -6.7648 -6.7648 -6.6536 -6.6536 -6.5922 -6.5922 -5.3769 -5.3769 -5.3312 -5.3312 0.8197 0.8197 2.5242 2.5242 2.7573 2.7573 3.3064 3.3064 3.5319 3.5319 4.2762 4.2762 4.6623 4.6623 5.1360 5.1360 5.3334 5.3334 6.8136 6.8136 8.9336 8.9336 9.6963 9.6963 10.7769 10.7769 11.7976 11.7976 k =-0.0718 0.0847 0.9588 ( 3557 PWs) bands (ev): -23.2204 -23.2204 -23.2020 -23.2020 -7.1844 -7.1844 -7.0940 -7.0940 -6.8789 -6.8789 -6.7631 -6.7631 -6.6540 -6.6540 -6.5915 -6.5915 -5.3760 -5.3760 -5.3335 -5.3335 0.8128 0.8128 2.5295 2.5295 2.7743 2.7743 3.2751 3.2751 3.5582 3.5582 4.2795 4.2795 4.6431 4.6431 5.1436 5.1436 5.3223 5.3223 6.8230 6.8230 8.9171 8.9171 9.6997 9.6997 10.8193 10.8193 11.7789 11.7789 k =-0.0598 0.0706 0.9588 ( 3554 PWs) bands (ev): -23.2203 -23.2203 -23.2018 -23.2018 -7.1847 -7.1847 -7.0950 -7.0950 -6.8779 -6.8779 -6.7616 -6.7616 -6.6543 -6.6543 -6.5908 -6.5908 -5.3748 -5.3748 -5.3359 -5.3359 0.8070 0.8070 2.5337 2.5337 2.7921 2.7921 3.2424 3.2424 3.5848 3.5848 4.2823 4.2823 4.6255 4.6255 5.1511 5.1511 5.3119 5.3119 6.8309 6.8309 8.9029 8.9029 9.7031 9.7031 10.8611 10.8611 11.7554 11.7554 k =-0.0478 0.0565 0.9588 ( 3550 PWs) bands (ev): -23.2203 -23.2203 -23.2016 -23.2016 -7.1849 -7.1849 -7.0959 -7.0959 -6.8771 -6.8771 -6.7604 -6.7604 -6.6546 -6.6546 -6.5903 -6.5903 -5.3735 -5.3735 -5.3382 -5.3382 0.8023 0.8023 2.5369 2.5369 2.8100 2.8100 3.2111 3.2111 3.6090 3.6090 4.2845 4.2845 4.6100 4.6100 5.1583 5.1583 5.3026 5.3026 6.8373 6.8373 8.8910 8.8910 9.7063 9.7063 10.9006 10.9006 11.7290 11.7290 k =-0.0359 0.0424 0.9588 ( 3558 PWs) bands (ev): -23.2203 -23.2203 -23.2015 -23.2015 -7.1851 -7.1851 -7.0966 -7.0966 -6.8764 -6.8764 -6.7594 -6.7594 -6.6549 -6.6549 -6.5899 -6.5899 -5.3721 -5.3721 -5.3403 -5.3403 0.7987 0.7987 2.5392 2.5392 2.8268 2.8268 3.1834 3.1834 3.6293 3.6293 4.2861 4.2861 4.5972 4.5972 5.1646 5.1646 5.2946 5.2946 6.8422 6.8422 8.8817 8.8817 9.7090 9.7090 10.9358 10.9358 11.7025 11.7025 k =-0.0239 0.0282 0.9588 ( 3558 PWs) bands (ev): -23.2203 -23.2203 -23.2015 -23.2015 -7.1853 -7.1853 -7.0971 -7.0971 -6.8759 -6.8759 -6.7587 -6.7587 -6.6551 -6.6551 -6.5895 -6.5895 -5.3710 -5.3710 -5.3421 -5.3421 0.7961 0.7961 2.5407 2.5407 2.8411 2.8411 3.1611 3.1611 3.6445 3.6445 4.2873 4.2873 4.5876 4.5876 5.1698 5.1698 5.2884 5.2884 6.8456 6.8456 8.8749 8.8749 9.7111 9.7111 10.9639 10.9639 11.6796 11.6796 k =-0.0120 0.0141 0.9588 ( 3560 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1854 -7.1854 -7.0974 -7.0974 -6.8756 -6.8756 -6.7583 -6.7583 -6.6552 -6.6552 -6.5893 -6.5893 -5.3701 -5.3701 -5.3433 -5.3433 0.7946 0.7946 2.5417 2.5417 2.8509 2.8509 3.1465 3.1465 3.6539 3.6539 4.2879 4.2879 4.5816 4.5816 5.1732 5.1732 5.2843 5.2843 6.8477 6.8477 8.8708 8.8708 9.7124 9.7124 10.9824 10.9824 11.6640 11.6640 k = 0.0000 0.0000 0.9588 ( 3570 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1855 -7.1855 -7.0975 -7.0975 -6.8755 -6.8755 -6.7582 -6.7582 -6.6552 -6.6552 -6.5893 -6.5893 -5.3698 -5.3698 -5.3437 -5.3437 0.7940 0.7940 2.5420 2.5420 2.8544 2.8544 3.1413 3.1413 3.6570 3.6570 4.2882 4.2882 4.5796 4.5796 5.1744 5.1744 5.2829 5.2829 6.8484 6.8484 8.8694 8.8694 9.7128 9.7128 10.9888 10.9888 11.6584 11.6584 k = 0.0000 0.0000 0.9588 ( 3570 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1855 -7.1855 -7.0975 -7.0975 -6.8755 -6.8755 -6.7582 -6.7582 -6.6552 -6.6552 -6.5893 -6.5893 -5.3698 -5.3698 -5.3437 -5.3437 0.7940 0.7940 2.5420 2.5420 2.8544 2.8544 3.1413 3.1413 3.6570 3.6570 4.2882 4.2882 4.5796 4.5796 5.1744 5.1744 5.2829 5.2829 6.8484 6.8484 8.8694 8.8694 9.7128 9.7128 10.9888 10.9888 11.6584 11.6584 k = 0.0147 0.0125 0.9588 ( 3574 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1854 -7.1854 -7.0975 -7.0975 -6.8753 -6.8753 -6.7583 -6.7583 -6.6552 -6.6552 -6.5897 -6.5897 -5.3697 -5.3697 -5.3437 -5.3437 0.7940 0.7940 2.5416 2.5416 2.8542 2.8542 3.1418 3.1418 3.6571 3.6571 4.2882 4.2882 4.5796 4.5796 5.1743 5.1743 5.2830 5.2830 6.8484 6.8484 8.8690 8.8690 9.7129 9.7129 10.9892 10.9892 11.6530 11.6530 k = 0.0294 0.0249 0.9588 ( 3568 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1853 -7.1853 -7.0974 -7.0974 -6.8746 -6.8746 -6.7584 -6.7584 -6.6553 -6.6553 -6.5909 -6.5909 -5.3692 -5.3692 -5.3436 -5.3436 0.7940 0.7940 2.5406 2.5406 2.8537 2.8537 3.1432 3.1432 3.6571 3.6571 4.2883 4.2883 4.5797 4.5797 5.1741 5.1741 5.2833 5.2833 6.8484 6.8484 8.8677 8.8677 9.7130 9.7130 10.9904 10.9904 11.6379 11.6379 k = 0.0441 0.0374 0.9588 ( 3566 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1851 -7.1851 -7.0971 -7.0971 -6.8734 -6.8734 -6.7587 -6.7587 -6.6555 -6.6555 -6.5928 -6.5928 -5.3686 -5.3686 -5.3434 -5.3434 0.7940 0.7940 2.5391 2.5391 2.8529 2.8529 3.1455 3.1455 3.6572 3.6572 4.2884 4.2884 4.5798 4.5798 5.1738 5.1738 5.2837 5.2837 6.8484 6.8484 8.8655 8.8655 9.7132 9.7132 10.9922 10.9922 11.6154 11.6154 k = 0.0588 0.0498 0.9588 ( 3570 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1849 -7.1849 -7.0968 -7.0968 -6.8717 -6.8717 -6.7591 -6.7591 -6.6556 -6.6556 -6.5954 -6.5954 -5.3676 -5.3676 -5.3432 -5.3432 0.7940 0.7940 2.5369 2.5369 2.8518 2.8518 3.1485 3.1485 3.6573 3.6573 4.2886 4.2886 4.5799 4.5799 5.1733 5.1733 5.2843 5.2843 6.8484 6.8484 8.8626 8.8626 9.7135 9.7135 10.9947 10.9947 11.5883 11.5883 k = 0.0735 0.0623 0.9588 ( 3576 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1846 -7.1846 -7.0965 -7.0965 -6.8696 -6.8696 -6.7596 -6.7596 -6.6559 -6.6559 -6.5986 -6.5986 -5.3666 -5.3666 -5.3429 -5.3429 0.7940 0.7940 2.5343 2.5343 2.8505 2.8505 3.1521 3.1521 3.6574 3.6574 4.2888 4.2888 4.5800 4.5800 5.1727 5.1727 5.2851 5.2851 6.8483 6.8483 8.8590 8.8590 9.7139 9.7139 10.9976 10.9976 11.5587 11.5587 k = 0.0882 0.0748 0.9588 ( 3564 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1842 -7.1842 -7.0961 -7.0961 -6.8671 -6.8671 -6.7602 -6.7602 -6.6561 -6.6561 -6.6024 -6.6024 -5.3653 -5.3653 -5.3425 -5.3425 0.7940 0.7940 2.5313 2.5313 2.8491 2.8491 3.1562 3.1562 3.6575 3.6575 4.2891 4.2891 4.5802 4.5802 5.1721 5.1721 5.2859 5.2859 6.8483 6.8483 8.8550 8.8550 9.7143 9.7143 11.0010 11.0010 11.5285 11.5285 k = 0.1029 0.0872 0.9588 ( 3566 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1838 -7.1838 -7.0957 -7.0957 -6.8642 -6.8642 -6.7611 -6.7611 -6.6563 -6.6563 -6.6065 -6.6065 -5.3640 -5.3640 -5.3420 -5.3420 0.7940 0.7940 2.5280 2.5280 2.8476 2.8476 3.1607 3.1607 3.6577 3.6577 4.2894 4.2894 4.5803 4.5803 5.1714 5.1714 5.2868 5.2868 6.8483 6.8483 8.8505 8.8505 9.7147 9.7147 11.0046 11.0046 11.4989 11.4989 k = 0.1176 0.0997 0.9588 ( 3566 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1833 -7.1833 -7.0952 -7.0952 -6.8609 -6.8609 -6.7621 -6.7621 -6.6566 -6.6566 -6.6110 -6.6110 -5.3626 -5.3626 -5.3415 -5.3415 0.7940 0.7940 2.5246 2.5246 2.8462 2.8462 3.1652 3.1652 3.6578 3.6578 4.2897 4.2897 4.5805 4.5805 5.1707 5.1707 5.2878 5.2878 6.8483 6.8483 8.8459 8.8459 9.7152 9.7152 11.0084 11.0084 11.4708 11.4708 k = 0.1324 0.1121 0.9588 ( 3572 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1829 -7.1829 -7.0948 -7.0948 -6.8573 -6.8573 -6.7633 -6.7633 -6.6569 -6.6569 -6.6155 -6.6155 -5.3613 -5.3613 -5.3410 -5.3410 0.7939 0.7939 2.5211 2.5211 2.8448 2.8448 3.1698 3.1698 3.6580 3.6580 4.2900 4.2900 4.5807 4.5807 5.1700 5.1700 5.2888 5.2888 6.8483 6.8483 8.8411 8.8411 9.7156 9.7156 11.0121 11.0121 11.4447 11.4447 k = 0.1471 0.1246 0.9588 ( 3574 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1825 -7.1825 -7.0944 -7.0944 -6.8535 -6.8535 -6.7648 -6.7648 -6.6571 -6.6571 -6.6201 -6.6201 -5.3600 -5.3600 -5.3404 -5.3404 0.7939 0.7939 2.5177 2.5177 2.8435 2.8435 3.1741 3.1741 3.6582 3.6582 4.2903 4.2903 4.5808 4.5808 5.1693 5.1693 5.2897 5.2897 6.8482 6.8482 8.8365 8.8365 9.7160 9.7160 11.0156 11.0156 11.4212 11.4212 k = 0.1618 0.1370 0.9588 ( 3576 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1821 -7.1821 -7.0940 -7.0940 -6.8496 -6.8496 -6.7664 -6.7664 -6.6572 -6.6572 -6.6245 -6.6245 -5.3589 -5.3589 -5.3398 -5.3398 0.7939 0.7939 2.5145 2.5145 2.8423 2.8423 3.1782 3.1782 3.6583 3.6583 4.2906 4.2906 4.5810 4.5810 5.1686 5.1686 5.2906 5.2906 6.8482 6.8482 8.8322 8.8322 9.7164 9.7164 11.0188 11.0188 11.4004 11.4004 k = 0.1765 0.1495 0.9588 ( 3574 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1817 -7.1817 -7.0937 -7.0937 -6.8457 -6.8457 -6.7682 -6.7682 -6.6574 -6.6574 -6.6286 -6.6286 -5.3579 -5.3579 -5.3392 -5.3392 0.7939 0.7939 2.5116 2.5116 2.8412 2.8412 3.1819 3.1819 3.6584 3.6584 4.2909 4.2909 4.5811 4.5811 5.1680 5.1680 5.2914 5.2914 6.8482 6.8482 8.8283 8.8283 9.7168 9.7168 11.0216 11.0216 11.3826 11.3826 k = 0.1912 0.1620 0.9588 ( 3570 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1814 -7.1814 -7.0934 -7.0934 -6.8419 -6.8419 -6.7700 -6.7700 -6.6574 -6.6574 -6.6323 -6.6323 -5.3571 -5.3571 -5.3386 -5.3386 0.7939 0.7939 2.5090 2.5090 2.8404 2.8404 3.1850 3.1850 3.6586 3.6586 4.2911 4.2911 4.5813 4.5813 5.1675 5.1675 5.2921 5.2921 6.8482 6.8482 8.8249 8.8249 9.7171 9.7171 11.0240 11.0240 11.3680 11.3680 k = 0.2059 0.1744 0.9588 ( 3574 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1811 -7.1811 -7.0932 -7.0932 -6.8386 -6.8386 -6.7717 -6.7717 -6.6574 -6.6574 -6.6353 -6.6353 -5.3564 -5.3564 -5.3381 -5.3381 0.7939 0.7939 2.5070 2.5070 2.8397 2.8397 3.1875 3.1875 3.6587 3.6587 4.2913 4.2913 4.5814 4.5814 5.1671 5.1671 5.2926 5.2926 6.8482 6.8482 8.8221 8.8221 9.7173 9.7173 11.0259 11.0259 11.3566 11.3566 k = 0.2206 0.1869 0.9588 ( 3572 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1809 -7.1809 -7.0930 -7.0930 -6.8360 -6.8360 -6.7732 -6.7732 -6.6573 -6.6573 -6.6376 -6.6376 -5.3560 -5.3560 -5.3378 -5.3378 0.7939 0.7939 2.5055 2.5055 2.8392 2.8392 3.1893 3.1893 3.6587 3.6587 4.2915 4.2915 4.5815 4.5815 5.1668 5.1668 5.2930 5.2930 6.8482 6.8482 8.8201 8.8201 9.7175 9.7175 11.0272 11.0272 11.3485 11.3485 k = 0.2353 0.1993 0.9588 ( 3574 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1807 -7.1807 -7.0929 -7.0929 -6.8343 -6.8343 -6.7742 -6.7742 -6.6573 -6.6573 -6.6390 -6.6390 -5.3557 -5.3557 -5.3375 -5.3375 0.7939 0.7939 2.5046 2.5046 2.8389 2.8389 3.1905 3.1905 3.6588 3.6588 4.2916 4.2916 4.5815 4.5815 5.1666 5.1666 5.2933 5.2933 6.8482 6.8482 8.8188 8.8188 9.7176 9.7176 11.0280 11.0280 11.3436 11.3436 k = 0.2500 0.2118 0.9588 ( 3576 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1807 -7.1807 -7.0929 -7.0929 -6.8336 -6.8336 -6.7746 -6.7746 -6.6572 -6.6572 -6.6395 -6.6395 -5.3556 -5.3556 -5.3375 -5.3375 0.7939 0.7939 2.5042 2.5042 2.8388 2.8388 3.1908 3.1908 3.6588 3.6588 4.2916 4.2916 4.5815 4.5815 5.1666 5.1666 5.2934 5.2934 6.8482 6.8482 8.8184 8.8184 9.7176 9.7176 11.0283 11.0283 11.3419 11.3419 k = 0.2500 0.2118 0.9588 ( 3576 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1807 -7.1807 -7.0929 -7.0929 -6.8336 -6.8336 -6.7746 -6.7746 -6.6572 -6.6572 -6.6395 -6.6395 -5.3556 -5.3556 -5.3375 -5.3375 0.7939 0.7939 2.5042 2.5042 2.8388 2.8388 3.1908 3.1908 3.6588 3.6588 4.2916 4.2916 4.5815 4.5815 5.1666 5.1666 5.2934 5.2934 6.8482 6.8482 8.8184 8.8184 9.7176 9.7176 11.0283 11.0283 11.3419 11.3419 k = 0.2391 0.2246 0.9503 ( 3576 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1807 -7.1807 -7.0929 -7.0929 -6.8336 -6.8336 -6.7745 -6.7745 -6.6574 -6.6574 -6.6394 -6.6394 -5.3560 -5.3560 -5.3370 -5.3370 0.7936 0.7936 2.5046 2.5046 2.8394 2.8394 3.1911 3.1911 3.6574 3.6574 4.2917 4.2917 4.5817 4.5817 5.1662 5.1662 5.2933 5.2933 6.8485 6.8485 8.8209 8.8209 9.7155 9.7155 11.0236 11.0236 11.3451 11.3451 k = 0.2283 0.2375 0.9418 ( 3582 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1807 -7.1807 -7.0928 -7.0928 -6.8336 -6.8336 -6.7745 -6.7745 -6.6579 -6.6579 -6.6391 -6.6391 -5.3573 -5.3573 -5.3358 -5.3358 0.7929 0.7929 2.5057 2.5057 2.8413 2.8413 3.1918 3.1918 3.6534 3.6534 4.2922 4.2922 4.5821 4.5821 5.1652 5.1652 5.2932 5.2932 6.8496 6.8496 8.8284 8.8284 9.7094 9.7094 11.0099 11.0099 11.3548 11.3548 k = 0.2174 0.2503 0.9333 ( 3576 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1806 -7.1806 -7.0926 -7.0926 -6.8336 -6.8336 -6.7744 -6.7744 -6.6586 -6.6586 -6.6386 -6.6386 -5.3590 -5.3590 -5.3341 -5.3341 0.7917 0.7917 2.5075 2.5075 2.8443 2.8443 3.1929 3.1929 3.6467 3.6467 4.2930 4.2930 4.5829 4.5829 5.1634 5.1634 5.2930 5.2930 6.8514 6.8514 8.8408 8.8408 9.6994 9.6994 10.9878 10.9878 11.3711 11.3711 k = 0.2065 0.2631 0.9247 ( 3576 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1805 -7.1805 -7.0925 -7.0925 -6.8336 -6.8336 -6.7743 -6.7743 -6.6596 -6.6596 -6.6380 -6.6380 -5.3611 -5.3611 -5.3321 -5.3321 0.7900 0.7900 2.5099 2.5099 2.8486 2.8486 3.1944 3.1944 3.6375 3.6375 4.2940 4.2940 4.5839 4.5839 5.1610 5.1610 5.2927 5.2927 6.8538 6.8538 8.8580 8.8580 9.6861 9.6861 10.9584 10.9584 11.3940 11.3940 k = 0.1957 0.2759 0.9162 ( 3572 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1804 -7.1804 -7.0922 -7.0922 -6.8335 -6.8335 -6.7742 -6.7742 -6.6606 -6.6606 -6.6373 -6.6373 -5.3634 -5.3634 -5.3300 -5.3300 0.7880 0.7880 2.5130 2.5130 2.8540 2.8540 3.1964 3.1964 3.6260 3.6260 4.2953 4.2953 4.5852 4.5852 5.1580 5.1580 5.2924 5.2924 6.8568 6.8568 8.8796 8.8796 9.6699 9.6699 10.9232 10.9232 11.4231 11.4231 k = 0.1848 0.2888 0.9077 ( 3574 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1803 -7.1803 -7.0919 -7.0919 -6.8334 -6.8334 -6.7741 -6.7741 -6.6619 -6.6619 -6.6366 -6.6366 -5.3658 -5.3658 -5.3277 -5.3277 0.7855 0.7855 2.5166 2.5166 2.8606 2.8606 3.1986 3.1986 3.6123 3.6123 4.2967 4.2967 4.5866 4.5866 5.1545 5.1545 5.2921 5.2921 6.8604 6.8604 8.9054 8.9054 9.6516 9.6516 10.8836 10.8836 11.4577 11.4577 k = 0.1739 0.3016 0.8992 ( 3570 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1802 -7.1802 -7.0916 -7.0916 -6.8333 -6.8333 -6.7740 -6.7740 -6.6631 -6.6631 -6.6358 -6.6358 -5.3681 -5.3681 -5.3255 -5.3255 0.7828 0.7828 2.5208 2.5208 2.8684 2.8684 3.2010 3.2010 3.5967 3.5967 4.2983 4.2983 4.5882 4.5882 5.1504 5.1504 5.2917 5.2917 6.8645 6.8645 8.9350 8.9350 9.6318 9.6318 10.8411 10.8411 11.4972 11.4972 k = 0.1630 0.3144 0.8906 ( 3566 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1800 -7.1800 -7.0912 -7.0912 -6.8332 -6.8332 -6.7740 -6.7740 -6.6644 -6.6644 -6.6351 -6.6351 -5.3705 -5.3705 -5.3233 -5.3233 0.7798 0.7798 2.5253 2.5253 2.8772 2.8772 3.2036 3.2036 3.5795 3.5795 4.3000 4.3000 4.5900 4.5900 5.1458 5.1458 5.2914 5.2914 6.8689 6.8689 8.9678 8.9678 9.6112 9.6112 10.7969 10.7969 11.5406 11.5406 k = 0.1522 0.3273 0.8821 ( 3564 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1799 -7.1799 -7.0908 -7.0908 -6.8330 -6.8330 -6.7739 -6.7739 -6.6657 -6.6657 -6.6344 -6.6344 -5.3728 -5.3728 -5.3211 -5.3211 0.7766 0.7766 2.5302 2.5302 2.8872 2.8872 3.2062 3.2062 3.5608 3.5608 4.3018 4.3018 4.5918 4.5918 5.1410 5.1410 5.2911 5.2911 6.8736 6.8736 9.0032 9.0032 9.5906 9.5906 10.7522 10.7522 11.5872 11.5872 k = 0.1413 0.3401 0.8736 ( 3566 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1797 -7.1797 -7.0904 -7.0904 -6.8327 -6.8327 -6.7739 -6.7739 -6.6670 -6.6670 -6.6337 -6.6337 -5.3750 -5.3750 -5.3191 -5.3191 0.7732 0.7732 2.5354 2.5354 2.8983 2.8983 3.2087 3.2087 3.5411 3.5411 4.3035 4.3035 4.5936 4.5936 5.1358 5.1358 5.2908 5.2908 6.8785 6.8785 9.0404 9.0404 9.5708 9.5708 10.7077 10.7077 11.6362 11.6362 k = 0.1304 0.3529 0.8651 ( 3570 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1796 -7.1796 -7.0900 -7.0900 -6.8325 -6.8325 -6.7739 -6.7739 -6.6683 -6.6683 -6.6331 -6.6331 -5.3772 -5.3772 -5.3171 -5.3171 0.7698 0.7698 2.5406 2.5406 2.9104 2.9104 3.2109 3.2109 3.5206 3.5206 4.3052 4.3052 4.5955 4.5955 5.1305 5.1305 5.2906 5.2906 6.8835 6.8835 9.0786 9.0786 9.5525 9.5525 10.6644 10.6644 11.6866 11.6866 k = 0.1196 0.3658 0.8565 ( 3574 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1794 -7.1794 -7.0896 -7.0896 -6.8322 -6.8322 -6.7740 -6.7740 -6.6695 -6.6695 -6.6326 -6.6326 -5.3792 -5.3792 -5.3153 -5.3153 0.7663 0.7663 2.5460 2.5460 2.9235 2.9235 3.2126 3.2126 3.4997 3.4997 4.3069 4.3069 4.5973 4.5973 5.1251 5.1251 5.2904 5.2904 6.8885 6.8885 9.1164 9.1164 9.5367 9.5367 10.6227 10.6227 11.7379 11.7379 k = 0.1087 0.3786 0.8480 ( 3574 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1792 -7.1792 -7.0892 -7.0892 -6.8319 -6.8319 -6.7742 -6.7742 -6.6706 -6.6706 -6.6321 -6.6321 -5.3811 -5.3811 -5.3135 -5.3135 0.7629 0.7629 2.5512 2.5512 2.9376 2.9376 3.2135 3.2135 3.4788 3.4788 4.3084 4.3084 4.5990 4.5990 5.1198 5.1198 5.2902 5.2902 6.8935 6.8935 9.1525 9.1525 9.5245 9.5245 10.5833 10.5833 11.7892 11.7892 k = 0.0978 0.3914 0.8395 ( 3576 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1791 -7.1791 -7.0888 -7.0888 -6.8315 -6.8315 -6.7743 -6.7743 -6.6716 -6.6716 -6.6317 -6.6317 -5.3829 -5.3829 -5.3120 -5.3120 0.7596 0.7596 2.5563 2.5563 2.9526 2.9526 3.2133 3.2133 3.4584 3.4584 4.3099 4.3099 4.6007 4.6007 5.1146 5.1146 5.2901 5.2901 6.8982 6.8982 9.1852 9.1852 9.5170 9.5170 10.5466 10.5466 11.8399 11.8399 k = 0.0870 0.4042 0.8310 ( 3582 PWs) bands (ev): -23.2204 -23.2204 -23.2014 -23.2014 -7.1789 -7.1789 -7.0884 -7.0884 -6.8311 -6.8311 -6.7746 -6.7746 -6.6725 -6.6725 -6.6313 -6.6313 -5.3845 -5.3845 -5.3105 -5.3105 0.7565 0.7565 2.5612 2.5612 2.9686 2.9686 3.2117 3.2117 3.4389 3.4389 4.3113 4.3113 4.6023 4.6023 5.1096 5.1096 5.2900 5.2900 6.9027 6.9027 9.2127 9.2127 9.5155 9.5155 10.5129 10.5129 11.8894 11.8894 k = 0.0761 0.4171 0.8224 ( 3584 PWs) bands (ev): -23.2204 -23.2204 -23.2014 -23.2014 -7.1788 -7.1788 -7.0881 -7.0881 -6.8307 -6.8307 -6.7748 -6.7748 -6.6733 -6.6733 -6.6310 -6.6310 -5.3859 -5.3859 -5.3092 -5.3092 0.7537 0.7537 2.5657 2.5657 2.9854 2.9854 3.2082 3.2082 3.4209 3.4209 4.3125 4.3125 4.6037 4.6037 5.1050 5.1050 5.2899 5.2899 6.9069 6.9069 9.2337 9.2337 9.5204 9.5204 10.4826 10.4826 11.9372 11.9372 k = 0.0652 0.4299 0.8139 ( 3580 PWs) bands (ev): -23.2204 -23.2204 -23.2014 -23.2014 -7.1786 -7.1786 -7.0877 -7.0877 -6.8303 -6.8303 -6.7751 -6.7751 -6.6740 -6.6740 -6.6307 -6.6307 -5.3872 -5.3872 -5.3081 -5.3081 0.7511 0.7511 2.5699 2.5699 3.0029 3.0029 3.2024 3.2024 3.4050 3.4050 4.3136 4.3136 4.6049 4.6049 5.1008 5.1008 5.2898 5.2898 6.9107 6.9107 9.2479 9.2479 9.5312 9.5312 10.4560 10.4560 11.9827 11.9827 k = 0.0543 0.4427 0.8054 ( 3584 PWs) bands (ev): -23.2204 -23.2204 -23.2014 -23.2014 -7.1785 -7.1785 -7.0875 -7.0875 -6.8300 -6.8300 -6.7753 -6.7753 -6.6746 -6.6746 -6.6305 -6.6305 -5.3883 -5.3883 -5.3071 -5.3071 0.7488 0.7488 2.5735 2.5735 3.0212 3.0212 3.1940 3.1940 3.3915 3.3915 4.3145 4.3145 4.6060 4.6060 5.0971 5.0971 5.2898 5.2898 6.9140 6.9140 9.2562 9.2562 9.5461 9.5461 10.4331 10.4331 12.0254 12.0254 k = 0.0435 0.4556 0.7968 ( 3584 PWs) bands (ev): -23.2204 -23.2204 -23.2015 -23.2015 -7.1784 -7.1784 -7.0873 -7.0873 -6.8297 -6.8297 -6.7756 -6.7756 -6.6751 -6.6751 -6.6303 -6.6303 -5.3892 -5.3892 -5.3064 -5.3064 0.7469 0.7469 2.5765 2.5765 3.0400 3.0400 3.1830 3.1830 3.3807 3.3807 4.3152 4.3152 4.6069 4.6069 5.0939 5.0939 5.2898 5.2898 6.9168 6.9168 9.2603 9.2603 9.5627 9.5627 10.4143 10.4143 12.0647 12.0647 k = 0.0326 0.4684 0.7883 ( 3584 PWs) bands (ev): -23.2204 -23.2204 -23.2015 -23.2015 -7.1784 -7.1784 -7.0871 -7.0871 -6.8294 -6.8294 -6.7758 -6.7758 -6.6755 -6.6755 -6.6301 -6.6301 -5.3899 -5.3899 -5.3057 -5.3057 0.7453 0.7453 2.5790 2.5790 3.0592 3.0592 3.1695 3.1695 3.3726 3.3726 4.3158 4.3158 4.6076 4.6076 5.0915 5.0915 5.2898 5.2898 6.9190 6.9190 9.2618 9.2618 9.5784 9.5784 10.3996 10.3996 12.0994 12.0994 k = 0.0217 0.4812 0.7798 ( 3588 PWs) bands (ev): -23.2204 -23.2204 -23.2015 -23.2015 -7.1783 -7.1783 -7.0869 -7.0869 -6.8292 -6.8292 -6.7760 -6.7760 -6.6758 -6.6758 -6.6301 -6.6301 -5.3904 -5.3904 -5.3053 -5.3053 0.7442 0.7442 2.5807 2.5807 3.0786 3.0786 3.1539 3.1539 3.3671 3.3671 4.3163 4.3163 4.6081 4.6081 5.0896 5.0896 5.2898 5.2898 6.9206 6.9206 9.2621 9.2621 9.5910 9.5910 10.3891 10.3891 12.1278 12.1278 k = 0.0109 0.4941 0.7713 ( 3590 PWs) bands (ev): -23.2204 -23.2204 -23.2015 -23.2015 -7.1783 -7.1783 -7.0869 -7.0869 -6.8291 -6.8291 -6.7761 -6.7761 -6.6760 -6.6760 -6.6300 -6.6300 -5.3907 -5.3907 -5.3050 -5.3050 0.7435 0.7435 2.5818 2.5818 3.0978 3.0978 3.1368 3.1368 3.3639 3.3639 4.3165 4.3165 4.6084 4.6084 5.0885 5.0885 5.2898 5.2898 6.9215 6.9215 9.2619 9.2619 9.5992 9.5992 10.3827 10.3827 12.1471 12.1471 k = 0.0000 0.5069 0.7627 ( 3592 PWs) bands (ev): -23.2204 -23.2204 -23.2015 -23.2015 -7.1783 -7.1783 -7.0868 -7.0868 -6.8290 -6.8290 -6.7761 -6.7761 -6.6760 -6.6760 -6.6300 -6.6300 -5.3908 -5.3908 -5.3049 -5.3049 0.7433 0.7433 2.5822 2.5822 3.1127 3.1127 3.1226 3.1226 3.3629 3.3629 4.3166 4.3166 4.6085 4.6085 5.0882 5.0882 5.2898 5.2898 6.9218 6.9218 9.2618 9.2618 9.6020 9.6020 10.3806 10.3806 12.1541 12.1541 k = 0.0000 0.5069 0.7627 ( 3592 PWs) bands (ev): -23.2204 -23.2204 -23.2015 -23.2015 -7.1783 -7.1783 -7.0868 -7.0868 -6.8290 -6.8290 -6.7761 -6.7761 -6.6760 -6.6760 -6.6300 -6.6300 -5.3908 -5.3908 -5.3049 -5.3049 0.7433 0.7433 2.5822 2.5822 3.1127 3.1127 3.1226 3.1226 3.3629 3.3629 4.3166 4.3166 4.6085 4.6085 5.0882 5.0882 5.2898 5.2898 6.9218 6.9218 9.2618 9.2618 9.6020 9.6020 10.3806 10.3806 12.1541 12.1541 k = 0.0159 0.5163 0.7565 ( 3588 PWs) bands (ev): -23.2204 -23.2204 -23.2015 -23.2015 -7.1784 -7.1784 -7.0867 -7.0867 -6.8296 -6.8296 -6.7761 -6.7761 -6.6758 -6.6758 -6.6298 -6.6298 -5.3906 -5.3906 -5.3050 -5.3050 0.7439 0.7439 2.5820 2.5820 3.0932 3.0932 3.1397 3.1397 3.3647 3.3647 4.3164 4.3164 4.6094 4.6094 5.0882 5.0882 5.2901 5.2901 6.9207 6.9207 9.2637 9.2637 9.6013 9.6013 10.3800 10.3800 12.1512 12.1512 k = 0.0319 0.5256 0.7503 ( 3594 PWs) bands (ev): -23.2204 -23.2204 -23.2015 -23.2015 -7.1787 -7.1787 -7.0864 -7.0864 -6.8311 -6.8311 -6.7762 -6.7762 -6.6750 -6.6750 -6.6291 -6.6291 -5.3900 -5.3900 -5.3053 -5.3053 0.7454 0.7454 2.5814 2.5814 3.0678 3.0678 3.1574 3.1574 3.3705 3.3705 4.3160 4.3160 4.6119 4.6119 5.0882 5.0882 5.2909 5.2909 6.9172 6.9172 9.2697 9.2697 9.5991 9.5991 10.3781 10.3781 12.1427 12.1427 k = 0.0478 0.5350 0.7441 ( 3579 PWs) bands (ev): -23.2203 -23.2203 -23.2016 -23.2016 -7.1793 -7.1793 -7.0860 -7.0860 -6.8335 -6.8335 -6.7764 -6.7764 -6.6738 -6.6738 -6.6280 -6.6280 -5.3890 -5.3890 -5.3058 -5.3058 0.7481 0.7481 2.5805 2.5805 3.0413 3.0413 3.1708 3.1708 3.3806 3.3806 4.3152 4.3152 4.6161 4.6161 5.0882 5.0882 5.2924 5.2924 6.9114 6.9114 9.2794 9.2794 9.5956 9.5956 10.3750 10.3750 12.1289 12.1289 k = 0.0637 0.5443 0.7379 ( 3579 PWs) bands (ev): -23.2203 -23.2203 -23.2017 -23.2017 -7.1801 -7.1801 -7.0853 -7.0853 -6.8366 -6.8366 -6.7767 -6.7767 -6.6723 -6.6723 -6.6265 -6.6265 -5.3876 -5.3876 -5.3065 -5.3065 0.7518 0.7518 2.5792 2.5792 3.0142 3.0142 3.1791 3.1791 3.3952 3.3952 4.3140 4.3140 4.6219 4.6219 5.0882 5.0882 5.2945 5.2945 6.9034 6.9034 9.2927 9.2927 9.5907 9.5907 10.3710 10.3710 12.1104 12.1104 k = 0.0796 0.5537 0.7316 ( 3582 PWs) bands (ev): -23.2203 -23.2203 -23.2018 -23.2018 -7.1810 -7.1810 -7.0845 -7.0845 -6.8402 -6.8402 -6.7774 -6.7774 -6.6704 -6.6704 -6.6247 -6.6247 -5.3858 -5.3858 -5.3074 -5.3074 0.7565 0.7565 2.5774 2.5774 2.9868 2.9868 3.1822 3.1822 3.4142 3.4142 4.3126 4.3126 4.6293 4.6293 5.0882 5.0882 5.2973 5.2973 6.8934 6.8934 9.3094 9.3094 9.5845 9.5845 10.3663 10.3663 12.0878 12.0878 k = 0.0956 0.5631 0.7254 ( 3575 PWs) bands (ev): -23.2203 -23.2203 -23.2019 -23.2019 -7.1821 -7.1821 -7.0836 -7.0836 -6.8442 -6.8442 -6.7783 -6.7783 -6.6684 -6.6684 -6.6225 -6.6225 -5.3837 -5.3837 -5.3084 -5.3084 0.7622 0.7622 2.5753 2.5753 2.9596 2.9596 3.1805 3.1805 3.4370 3.4370 4.3107 4.3107 4.6380 4.6380 5.0880 5.0880 5.3008 5.3008 6.8816 6.8816 9.3290 9.3290 9.5770 9.5770 10.3610 10.3610 12.0619 12.0619 k = 0.1115 0.5724 0.7192 ( 3577 PWs) bands (ev): -23.2203 -23.2203 -23.2021 -23.2021 -7.1833 -7.1833 -7.0825 -7.0825 -6.8484 -6.8484 -6.7795 -6.7795 -6.6662 -6.6662 -6.6201 -6.6201 -5.3812 -5.3812 -5.3097 -5.3097 0.7690 0.7690 2.5726 2.5726 2.9327 2.9327 3.1748 3.1748 3.4626 3.4626 4.3085 4.3085 4.6481 4.6481 5.0878 5.0878 5.3050 5.3050 6.8681 6.8681 9.3511 9.3511 9.5682 9.5682 10.3555 10.3555 12.0334 12.0334 k = 0.1274 0.5818 0.7130 ( 3575 PWs) bands (ev): -23.2202 -23.2202 -23.2023 -23.2023 -7.1845 -7.1845 -7.0814 -7.0814 -6.8527 -6.8527 -6.7810 -6.7810 -6.6640 -6.6640 -6.6175 -6.6175 -5.3785 -5.3785 -5.3111 -5.3111 0.7767 0.7767 2.5694 2.5694 2.9063 2.9063 3.1657 3.1657 3.4905 3.4905 4.3059 4.3059 4.6595 4.6595 5.0875 5.0875 5.3101 5.3101 6.8531 6.8531 9.3752 9.3752 9.5583 9.5583 10.3501 10.3501 12.0033 12.0033 k = 0.1433 0.5911 0.7068 ( 3575 PWs) bands (ev): -23.2202 -23.2202 -23.2026 -23.2026 -7.1858 -7.1858 -7.0802 -7.0802 -6.8569 -6.8569 -6.7828 -6.7828 -6.6619 -6.6619 -6.6149 -6.6149 -5.3755 -5.3755 -5.3127 -5.3127 0.7854 0.7854 2.5655 2.5655 2.8807 2.8807 3.1539 3.1539 3.5200 3.5200 4.3029 4.3029 4.6719 4.6719 5.0870 5.0870 5.3161 5.3161 6.8369 6.8369 9.4010 9.4010 9.5473 9.5473 10.3451 10.3451 11.9722 11.9722 k = 0.1593 0.6005 0.7005 ( 3573 PWs) bands (ev): -23.2202 -23.2202 -23.2028 -23.2028 -7.1871 -7.1871 -7.0790 -7.0790 -6.8610 -6.8610 -6.7847 -6.7847 -6.6598 -6.6598 -6.6122 -6.6122 -5.3722 -5.3722 -5.3145 -5.3145 0.7951 0.7951 2.5609 2.5609 2.8560 2.8560 3.1398 3.1398 3.5506 3.5506 4.2994 4.2994 4.6853 4.6853 5.0864 5.0864 5.3231 5.3231 6.8196 6.8196 9.4277 9.4277 9.5354 9.5354 10.3406 10.3406 11.9410 11.9410 k = 0.1752 0.6099 0.6943 ( 3574 PWs) bands (ev): -23.2202 -23.2202 -23.2031 -23.2031 -7.1883 -7.1883 -7.0777 -7.0777 -6.8649 -6.8649 -6.7868 -6.7868 -6.6579 -6.6579 -6.6097 -6.6097 -5.3688 -5.3688 -5.3165 -5.3165 0.8056 0.8056 2.5555 2.5555 2.8324 2.8324 3.1239 3.1239 3.5819 3.5819 4.2955 4.2955 4.6995 4.6995 5.0856 5.0856 5.3310 5.3310 6.8015 6.8015 9.4549 9.4549 9.5226 9.5226 10.3370 10.3370 11.9102 11.9102 k = 0.1911 0.6192 0.6881 ( 3577 PWs) bands (ev): -23.2202 -23.2202 -23.2034 -23.2034 -7.1893 -7.1893 -7.0764 -7.0764 -6.8686 -6.8686 -6.7890 -6.7890 -6.6561 -6.6561 -6.6073 -6.6073 -5.3651 -5.3651 -5.3186 -5.3186 0.8171 0.8171 2.5490 2.5490 2.8103 2.8103 3.1065 3.1065 3.6138 3.6138 4.2911 4.2911 4.7144 4.7144 5.0847 5.0847 5.3400 5.3400 6.7828 6.7828 9.4815 9.4815 9.5096 9.5096 10.3345 10.3345 11.8806 11.8806 k = 0.2071 0.6286 0.6819 ( 3581 PWs) bands (ev): -23.2202 -23.2202 -23.2037 -23.2037 -7.1903 -7.1903 -7.0751 -7.0751 -6.8719 -6.8719 -6.7913 -6.7913 -6.6545 -6.6545 -6.6052 -6.6052 -5.3614 -5.3614 -5.3210 -5.3210 0.8294 0.8294 2.5413 2.5413 2.7897 2.7897 3.0877 3.0877 3.6459 3.6459 4.2863 4.2863 4.7298 4.7298 5.0837 5.0837 5.3500 5.3500 6.7636 6.7636 9.4918 9.4918 9.5116 9.5116 10.3332 10.3332 11.8526 11.8526 k = 0.2230 0.6379 0.6757 ( 3584 PWs) bands (ev): -23.2203 -23.2203 -23.2040 -23.2040 -7.1911 -7.1911 -7.0737 -7.0737 -6.8749 -6.8749 -6.7936 -6.7936 -6.6530 -6.6530 -6.6035 -6.6035 -5.3576 -5.3576 -5.3236 -5.3236 0.8426 0.8426 2.5323 2.5323 2.7709 2.7709 3.0679 3.0679 3.6781 3.6781 4.2810 4.2810 4.7456 4.7456 5.0828 5.0828 5.3612 5.3612 6.7442 6.7442 9.4779 9.4779 9.5362 9.5362 10.3333 10.3333 11.8267 11.8267 k = 0.2389 0.6473 0.6694 ( 3576 PWs) bands (ev): -23.2203 -23.2203 -23.2043 -23.2043 -7.1917 -7.1917 -7.0724 -7.0724 -6.8776 -6.8776 -6.7958 -6.7958 -6.6517 -6.6517 -6.6022 -6.6022 -5.3538 -5.3538 -5.3263 -5.3263 0.8566 0.8566 2.5217 2.5217 2.7541 2.7541 3.0473 3.0473 3.7103 3.7103 4.2754 4.2754 4.7616 4.7616 5.0819 5.0819 5.3734 5.3734 6.7247 6.7247 9.4624 9.4624 9.5605 9.5605 10.3348 10.3348 11.8033 11.8033 k = 0.2548 0.6567 0.6632 ( 3576 PWs) bands (ev): -23.2204 -23.2204 -23.2046 -23.2046 -7.1920 -7.1920 -7.0710 -7.0710 -6.8798 -6.8798 -6.7979 -6.7979 -6.6505 -6.6505 -6.6013 -6.6013 -5.3500 -5.3500 -5.3293 -5.3293 0.8714 0.8714 2.5094 2.5094 2.7394 2.7394 3.0259 3.0259 3.7422 3.7422 4.2693 4.2693 4.7776 4.7776 5.0812 5.0812 5.3868 5.3868 6.7052 6.7052 9.4462 9.4462 9.5832 9.5832 10.3380 10.3380 11.7828 11.7828 k = 0.2708 0.6660 0.6570 ( 3574 PWs) bands (ev): -23.2204 -23.2204 -23.2049 -23.2049 -7.1921 -7.1921 -7.0697 -7.0697 -6.8817 -6.8817 -6.8000 -6.8000 -6.6496 -6.6496 -6.6010 -6.6010 -5.3466 -5.3466 -5.3323 -5.3323 0.8870 0.8870 2.4955 2.4955 2.7270 2.7270 3.0041 3.0041 3.7738 3.7738 4.2630 4.2630 4.7935 4.7935 5.0809 5.0809 5.4012 5.4012 6.6860 6.6860 9.4297 9.4297 9.6039 9.6039 10.3427 10.3427 11.7654 11.7654 k = 0.2867 0.6754 0.6508 ( 3573 PWs) bands (ev): -23.2205 -23.2205 -23.2053 -23.2053 -7.1919 -7.1919 -7.0683 -7.0683 -6.8831 -6.8831 -6.8018 -6.8018 -6.6487 -6.6487 -6.6011 -6.6011 -5.3441 -5.3441 -5.3347 -5.3347 0.9033 0.9033 2.4800 2.4800 2.7166 2.7166 2.9820 2.9820 3.8047 3.8047 4.2564 4.2564 4.8091 4.8091 5.0811 5.0811 5.4167 5.4167 6.6670 6.6670 9.4129 9.4129 9.6224 9.6224 10.3492 10.3492 11.7513 11.7513 k = 0.2867 0.6754 0.6508 ( 3573 PWs) bands (ev): -23.2205 -23.2205 -23.2053 -23.2053 -7.1919 -7.1919 -7.0683 -7.0683 -6.8831 -6.8831 -6.8018 -6.8018 -6.6487 -6.6487 -6.6011 -6.6011 -5.3441 -5.3441 -5.3347 -5.3347 0.9033 0.9033 2.4800 2.4800 2.7166 2.7166 2.9820 2.9820 3.8047 3.8047 4.2564 4.2564 4.8091 4.8091 5.0811 5.0811 5.4167 5.4167 6.6670 6.6670 9.4129 9.4129 9.6224 9.6224 10.3492 10.3492 11.7513 11.7513 k = 0.2923 0.6687 0.6336 ( 3573 PWs) bands (ev): -23.2209 -23.2209 -23.2062 -23.2062 -7.1908 -7.1908 -7.0644 -7.0644 -6.8864 -6.8864 -6.8067 -6.8067 -6.6468 -6.6468 -6.6023 -6.6023 -5.3507 -5.3507 -5.3293 -5.3293 0.9524 0.9524 2.4298 2.4298 2.6973 2.6973 2.9189 2.9189 3.8865 3.8865 4.2400 4.2400 4.8488 4.8488 5.0863 5.0863 5.4629 5.4629 6.6139 6.6139 9.3642 9.3642 9.6727 9.6727 10.3714 10.3714 11.7188 11.7188 k = 0.2979 0.6621 0.6165 ( 3577 PWs) bands (ev): -23.2214 -23.2214 -23.2072 -23.2072 -7.1899 -7.1899 -7.0602 -7.0602 -6.8894 -6.8894 -6.8112 -6.8112 -6.6449 -6.6449 -6.6035 -6.6035 -5.3645 -5.3645 -5.3180 -5.3180 1.0075 1.0075 2.3718 2.3718 2.6875 2.6875 2.8538 2.8538 3.9574 3.9574 4.2327 4.2327 4.8809 4.8809 5.1012 5.1012 5.5123 5.5123 6.5581 6.5581 9.3120 9.3120 9.7274 9.7274 10.3981 10.3981 11.6885 11.6885 k = 0.3035 0.6555 0.5994 ( 3577 PWs) bands (ev): -23.2220 -23.2220 -23.2083 -23.2083 -7.1892 -7.1892 -7.0558 -7.0558 -6.8919 -6.8919 -6.8154 -6.8154 -6.6432 -6.6432 -6.6047 -6.6047 -5.3806 -5.3806 -5.3057 -5.3057 1.0684 1.0684 2.3096 2.3096 2.6814 2.6814 2.7900 2.7900 4.0038 4.0038 4.2485 4.2485 4.9025 4.9025 5.1279 5.1279 5.5641 5.5641 6.5003 6.5003 9.2569 9.2569 9.7861 9.7861 10.4292 10.4292 11.6604 11.6604 k = 0.3092 0.6489 0.5823 ( 3587 PWs) bands (ev): -23.2226 -23.2226 -23.2095 -23.2095 -7.1889 -7.1889 -7.0514 -7.0514 -6.8940 -6.8940 -6.8189 -6.8189 -6.6416 -6.6416 -6.6058 -6.6058 -5.3985 -5.3985 -5.2927 -5.2927 1.1347 1.1347 2.2456 2.2456 2.6664 2.6664 2.7388 2.7388 4.0155 4.0155 4.2976 4.2976 4.9137 4.9137 5.1652 5.1652 5.6177 5.6177 6.4410 6.4410 9.1998 9.1998 9.8482 9.8482 10.4647 10.4647 11.6343 11.6343 k = 0.3148 0.6422 0.5651 ( 3585 PWs) bands (ev): -23.2233 -23.2233 -23.2107 -23.2107 -7.1893 -7.1893 -7.0471 -7.0471 -6.8954 -6.8954 -6.8216 -6.8216 -6.6400 -6.6400 -6.6068 -6.6068 -5.4179 -5.4179 -5.2790 -5.2790 1.2061 1.2061 2.1810 2.1810 2.6206 2.6206 2.7216 2.7216 4.0017 4.0017 4.3709 4.3709 4.9176 4.9176 5.2094 5.2094 5.6723 5.6723 6.3809 6.3809 9.1414 9.1414 9.9134 9.9134 10.5049 10.5049 11.6100 11.6100 k = 0.3204 0.6356 0.5480 ( 3577 PWs) bands (ev): -23.2241 -23.2241 -23.2120 -23.2120 -7.1905 -7.1905 -7.0430 -7.0430 -6.8960 -6.8960 -6.8235 -6.8235 -6.6386 -6.6386 -6.6078 -6.6078 -5.4385 -5.4385 -5.2647 -5.2647 1.2821 1.2821 2.1166 2.1166 2.5578 2.5578 2.7246 2.7246 3.9755 3.9755 4.4553 4.4553 4.9167 4.9167 5.2572 5.2572 5.7273 5.7273 6.3207 6.3207 9.0825 9.0825 9.9812 9.9812 10.5496 10.5496 11.5875 11.5875 k = 0.3260 0.6290 0.5309 ( 3577 PWs) bands (ev): -23.2250 -23.2250 -23.2133 -23.2133 -7.1927 -7.1927 -7.0393 -7.0393 -6.8959 -6.8959 -6.8243 -6.8243 -6.6373 -6.6373 -6.6086 -6.6086 -5.4602 -5.4602 -5.2499 -5.2499 1.3624 1.3624 2.0528 2.0528 2.4921 2.4921 2.7340 2.7340 3.9434 3.9434 4.5441 4.5441 4.9132 4.9132 5.3061 5.3061 5.7819 5.7819 6.2613 6.2613 9.0239 9.0239 10.0513 10.0513 10.5988 10.5988 11.5666 11.5666 k = 0.3316 0.6224 0.5138 ( 3581 PWs) bands (ev): -23.2259 -23.2259 -23.2147 -23.2147 -7.1960 -7.1960 -7.0361 -7.0361 -6.8948 -6.8948 -6.8238 -6.8238 -6.6360 -6.6360 -6.6093 -6.6093 -5.4828 -5.4828 -5.2347 -5.2347 1.4461 1.4461 1.9899 1.9899 2.4271 2.4271 2.7465 2.7465 3.9085 3.9085 4.6334 4.6334 4.9086 4.9086 5.3547 5.3547 5.8345 5.8345 6.2043 6.2043 8.9664 8.9664 10.1233 10.1233 10.6524 10.6524 11.5471 11.5471 k = 0.3372 0.6157 0.4966 ( 3585 PWs) bands (ev): -23.2269 -23.2269 -23.2161 -23.2161 -7.2004 -7.2004 -7.0337 -7.0337 -6.8926 -6.8926 -6.8221 -6.8221 -6.6349 -6.6349 -6.6098 -6.6098 -5.5060 -5.5060 -5.2190 -5.2190 1.5323 1.5323 1.9281 1.9281 2.3646 2.3646 2.7611 2.7611 3.8722 3.8722 4.7201 4.7201 4.9051 4.9051 5.4018 5.4018 5.8821 5.8821 6.1528 6.1528 8.9107 8.9107 10.1969 10.1969 10.7102 10.7102 11.5290 11.5290 k = 0.3428 0.6091 0.4795 ( 3579 PWs) bands (ev): -23.2279 -23.2279 -23.2176 -23.2176 -7.2061 -7.2061 -7.0321 -7.0321 -6.8894 -6.8894 -6.8191 -6.8191 -6.6339 -6.6339 -6.6101 -6.6101 -5.5296 -5.5296 -5.2031 -5.2031 1.6196 1.6196 1.8679 1.8679 2.3062 2.3062 2.7775 2.7775 3.8353 3.8353 4.7963 4.7963 4.9096 4.9096 5.4468 5.4468 5.9168 5.9168 6.1150 6.1150 8.8578 8.8578 10.2717 10.2717 10.7721 10.7721 11.5122 11.5122 k = 0.3484 0.6025 0.4624 ( 3579 PWs) bands (ev): -23.2290 -23.2290 -23.2191 -23.2191 -7.2130 -7.2130 -7.0315 -7.0315 -6.8850 -6.8850 -6.8149 -6.8149 -6.6329 -6.6329 -6.6101 -6.6101 -5.5535 -5.5535 -5.1869 -5.1869 1.7035 1.7035 1.8109 1.8109 2.2542 2.2542 2.7953 2.7953 3.7983 3.7983 4.8376 4.8376 4.9458 4.9458 5.4891 5.4891 5.9227 5.9227 6.1070 6.1070 8.8084 8.8084 10.3474 10.3474 10.8376 10.8376 11.4965 11.4965 k = 0.3541 0.5959 0.4453 ( 3573 PWs) bands (ev): -23.2301 -23.2301 -23.2207 -23.2207 -7.2209 -7.2209 -7.0318 -7.0318 -6.8795 -6.8795 -6.8095 -6.8095 -6.6320 -6.6320 -6.6099 -6.6099 -5.5774 -5.5774 -5.1705 -5.1705 1.7369 1.7369 1.7999 1.7999 2.2136 2.2136 2.8145 2.8145 3.7618 3.7618 4.8417 4.8417 5.0152 5.0152 5.5283 5.5283 5.8961 5.8961 6.1326 6.1326 8.7634 8.7634 10.4237 10.4237 10.9064 10.9064 11.4819 11.4819 k = 0.3597 0.5892 0.4281 ( 3583 PWs) bands (ev): -23.2312 -23.2312 -23.2222 -23.2222 -7.2300 -7.2300 -7.0332 -7.0332 -6.8729 -6.8729 -6.8032 -6.8032 -6.6311 -6.6311 -6.6093 -6.6093 -5.6013 -5.6013 -5.1540 -5.1540 1.6863 1.6863 1.8574 1.8574 2.1948 2.1948 2.8350 2.8350 3.7258 3.7258 4.8337 4.8337 5.0917 5.0917 5.5637 5.5637 5.8543 5.8543 6.1753 6.1753 8.7236 8.7236 10.5002 10.5002 10.9778 10.9778 11.4682 11.4682 k = 0.3653 0.5826 0.4110 ( 3579 PWs) bands (ev): -23.2324 -23.2324 -23.2238 -23.2238 -7.2400 -7.2400 -7.0354 -7.0354 -6.8653 -6.8653 -6.7960 -6.7960 -6.6302 -6.6302 -6.6083 -6.6083 -5.6250 -5.6250 -5.1374 -5.1374 1.6311 1.6311 1.8883 1.8883 2.2134 2.2134 2.8566 2.8566 3.6908 3.6908 4.8216 4.8216 5.1666 5.1666 5.5943 5.5943 5.8094 5.8094 6.2241 6.2241 8.6898 8.6898 10.5764 10.5764 11.0512 11.0512 11.4554 11.4554 k = 0.3709 0.5760 0.3939 ( 3569 PWs) bands (ev): -23.2336 -23.2336 -23.2253 -23.2253 -7.2508 -7.2508 -7.0384 -7.0384 -6.8568 -6.8568 -6.7883 -6.7883 -6.6293 -6.6293 -6.6070 -6.6070 -5.6483 -5.6483 -5.1208 -5.1208 1.5766 1.5766 1.8839 1.8839 2.2727 2.2727 2.8794 2.8794 3.6569 3.6569 4.8072 4.8072 5.2371 5.2371 5.6175 5.6175 5.7685 5.7685 6.2748 6.2748 8.6629 8.6629 10.6519 10.6519 11.1255 11.1255 11.4435 11.4435 k = 0.3765 0.5694 0.3768 ( 3561 PWs) bands (ev): -23.2348 -23.2348 -23.2268 -23.2268 -7.2622 -7.2622 -7.0421 -7.0421 -6.8476 -6.8476 -6.7802 -6.7802 -6.6283 -6.6283 -6.6052 -6.6052 -5.6711 -5.6711 -5.1042 -5.1042 1.5233 1.5233 1.8582 1.8582 2.3578 2.3578 2.9034 2.9034 3.6243 3.6243 4.7910 4.7910 5.3013 5.3013 5.6260 5.6260 5.7407 5.7407 6.3258 6.3258 8.6437 8.6437 10.7260 10.7260 11.1996 11.1996 11.4324 11.4324 k = 0.3821 0.5627 0.3596 ( 3565 PWs) bands (ev): -23.2360 -23.2360 -23.2284 -23.2284 -7.2743 -7.2743 -7.0462 -7.0462 -6.8380 -6.8380 -6.7719 -6.7719 -6.6271 -6.6271 -6.6031 -6.6031 -5.6933 -5.6933 -5.0878 -5.0878 1.4713 1.4713 1.8236 1.8236 2.4553 2.4553 2.9288 2.9288 3.5933 3.5933 4.7732 4.7732 5.3579 5.3579 5.6117 5.6117 5.7356 5.7356 6.3763 6.3763 8.6327 8.6327 10.7979 10.7979 11.2716 11.2716 11.4220 11.4220 k = 0.3877 0.5561 0.3425 ( 3561 PWs) bands (ev): -23.2372 -23.2372 -23.2299 -23.2299 -7.2867 -7.2867 -7.0508 -7.0508 -6.8280 -6.8280 -6.7638 -6.7638 -6.6256 -6.6256 -6.6004 -6.6004 -5.7149 -5.7149 -5.0716 -5.0716 1.4209 1.4209 1.7861 1.7861 2.5583 2.5583 2.9559 2.9559 3.5641 3.5641 4.7540 4.7540 5.4046 5.4046 5.5830 5.5830 5.7468 5.7468 6.4258 6.4258 8.6307 8.6307 10.8665 10.8665 11.3390 11.3390 11.4126 11.4126 k = 0.3933 0.5495 0.3254 ( 3561 PWs) bands (ev): -23.2384 -23.2384 -23.2314 -23.2314 -7.2995 -7.2995 -7.0556 -7.0556 -6.8180 -6.8180 -6.7558 -6.7558 -6.6239 -6.6239 -6.5972 -6.5972 -5.7357 -5.7357 -5.0557 -5.0557 1.3721 1.3721 1.7483 1.7483 2.6626 2.6626 2.9857 2.9857 3.5372 3.5372 4.7334 4.7334 5.4375 5.4375 5.5547 5.5547 5.7633 5.7633 6.4742 6.4742 8.6381 8.6381 10.9305 10.9305 11.3934 11.3934 11.4097 11.4097 k = 0.3990 0.5429 0.3083 ( 3557 PWs) bands (ev): -23.2395 -23.2395 -23.2329 -23.2329 -7.3124 -7.3124 -7.0606 -7.0606 -6.8079 -6.8079 -6.7483 -6.7483 -6.6218 -6.6218 -6.5936 -6.5936 -5.7557 -5.7557 -5.0401 -5.0401 1.3251 1.3251 1.7116 1.7116 2.7639 2.7639 3.0201 3.0201 3.5132 3.5132 4.7116 4.7116 5.4475 5.4475 5.5402 5.5402 5.7806 5.7806 6.5210 6.5210 8.6551 8.6551 10.9883 10.9883 11.3926 11.3926 11.4517 11.4517 k = 0.4046 0.5362 0.2911 ( 3571 PWs) bands (ev): -23.2407 -23.2407 -23.2344 -23.2344 -7.3253 -7.3253 -7.0657 -7.0657 -6.7982 -6.7982 -6.7414 -6.7414 -6.6192 -6.6192 -6.5894 -6.5894 -5.7748 -5.7748 -5.0249 -5.0249 1.2800 1.2800 1.6763 1.6763 2.8562 2.8562 3.0630 3.0630 3.4930 3.4930 4.6885 4.6885 5.4319 5.4319 5.5438 5.5438 5.7971 5.7971 6.5662 6.5662 8.6817 8.6817 11.0378 11.0378 11.3849 11.3849 11.4865 11.4865 k = 0.4102 0.5296 0.2740 ( 3571 PWs) bands (ev): -23.2419 -23.2419 -23.2357 -23.2357 -7.3381 -7.3381 -7.0708 -7.0708 -6.7887 -6.7887 -6.7352 -6.7352 -6.6162 -6.6162 -6.5848 -6.5848 -5.7930 -5.7930 -5.0101 -5.0101 1.2369 1.2369 1.6430 1.6430 2.9314 2.9314 3.1197 3.1197 3.4789 3.4789 4.6644 4.6644 5.4052 5.4052 5.5520 5.5520 5.8119 5.8119 6.6095 6.6095 8.7179 8.7179 11.0768 11.0768 11.3772 11.3772 11.5043 11.5043 k = 0.4158 0.5230 0.2569 ( 3571 PWs) bands (ev): -23.2430 -23.2430 -23.2371 -23.2371 -7.3508 -7.3508 -7.0758 -7.0758 -6.7797 -6.7797 -6.7297 -6.7297 -6.6127 -6.6127 -6.5797 -6.5797 -5.8103 -5.8103 -4.9959 -4.9959 1.1958 1.1958 1.6117 1.6117 2.9856 2.9856 3.1885 3.1885 3.4756 3.4756 4.6394 4.6394 5.3764 5.3764 5.5565 5.5565 5.8244 5.8244 6.6509 6.6509 8.7631 8.7631 11.1031 11.1031 11.3699 11.3699 11.5040 11.5040 k = 0.4214 0.5164 0.2398 ( 3571 PWs) bands (ev): -23.2440 -23.2440 -23.2384 -23.2384 -7.3631 -7.3631 -7.0807 -7.0807 -6.7713 -6.7713 -6.7250 -6.7250 -6.6087 -6.6087 -6.5743 -6.5743 -5.8265 -5.8265 -4.9823 -4.9823 1.1570 1.1570 1.5825 1.5825 3.0243 3.0243 3.2530 3.2530 3.4937 3.4937 4.6137 4.6137 5.3484 5.3484 5.5553 5.5553 5.8343 5.8343 6.6902 6.6902 8.8167 8.8167 11.1158 11.1158 11.3629 11.3629 11.4874 11.4874 k = 0.4270 0.5097 0.2226 ( 3569 PWs) bands (ev): -23.2450 -23.2450 -23.2396 -23.2396 -7.3751 -7.3751 -7.0854 -7.0854 -6.7635 -6.7635 -6.7211 -6.7211 -6.6043 -6.6043 -6.5685 -6.5685 -5.8417 -5.8417 -4.9693 -4.9693 1.1205 1.1205 1.5555 1.5555 3.0538 3.0538 3.2935 3.2935 3.5458 3.5458 4.5876 4.5876 5.3223 5.3223 5.5479 5.5479 5.8414 5.8414 6.7273 6.7273 8.8779 8.8779 11.1151 11.1151 11.3564 11.3564 11.4578 11.4578 k = 0.4326 0.5031 0.2055 ( 3561 PWs) bands (ev): -23.2460 -23.2460 -23.2408 -23.2408 -7.3866 -7.3866 -7.0899 -7.0899 -6.7563 -6.7563 -6.7180 -6.7180 -6.5996 -6.5996 -6.5626 -6.5626 -5.8558 -5.8558 -4.9571 -4.9571 1.0863 1.0863 1.5306 1.5306 3.0774 3.0774 3.3097 3.3097 3.6283 3.6283 4.5614 4.5614 5.2983 5.2983 5.5346 5.5346 5.8458 5.8458 6.7621 6.7621 8.9455 8.9455 11.1033 11.1033 11.3504 11.3504 11.4190 11.4190 k = 0.4383 0.4965 0.1884 ( 3563 PWs) bands (ev): -23.2469 -23.2469 -23.2419 -23.2419 -7.3974 -7.3974 -7.0942 -7.0942 -6.7499 -6.7499 -6.7155 -6.7155 -6.5946 -6.5946 -6.5565 -6.5565 -5.8689 -5.8689 -4.9455 -4.9455 1.0546 1.0546 1.5079 1.5079 3.0965 3.0965 3.3143 3.3143 3.7266 3.7266 4.5354 4.5354 5.2765 5.2765 5.5156 5.5156 5.8477 5.8477 6.7944 6.7944 9.0183 9.0183 11.0832 11.0832 11.3447 11.3447 11.3749 11.3749 k = 0.4439 0.4899 0.1713 ( 3551 PWs) bands (ev): -23.2477 -23.2477 -23.2428 -23.2428 -7.4077 -7.4077 -7.0982 -7.0982 -6.7441 -6.7441 -6.7136 -6.7136 -6.5895 -6.5895 -6.5505 -6.5505 -5.8809 -5.8809 -4.9348 -4.9348 1.0254 1.0254 1.4873 1.4873 3.1114 3.1114 3.3157 3.3157 3.8312 3.8312 4.5099 4.5099 5.2569 5.2569 5.4913 5.4913 5.8473 5.8473 6.8242 6.8242 9.0948 9.0948 11.0579 11.0579 11.3251 11.3251 11.3423 11.3423 k = 0.4495 0.4832 0.1541 ( 3547 PWs) bands (ev): -23.2484 -23.2484 -23.2438 -23.2438 -7.4171 -7.4171 -7.1019 -7.1019 -6.7390 -6.7390 -6.7122 -6.7122 -6.5844 -6.5844 -6.5447 -6.5447 -5.8917 -5.8917 -4.9250 -4.9250 0.9988 0.9988 1.4687 1.4687 3.1223 3.1223 3.3176 3.3176 3.9377 3.9377 4.4853 4.4853 5.2395 5.2395 5.4618 5.4618 5.8453 5.8453 6.8514 6.8514 9.1735 9.1735 11.0300 11.0300 11.2781 11.2781 11.3369 11.3369 k = 0.4551 0.4766 0.1370 ( 3539 PWs) bands (ev): -23.2491 -23.2491 -23.2446 -23.2446 -7.4258 -7.4258 -7.1052 -7.1052 -6.7345 -6.7345 -6.7112 -6.7112 -6.5795 -6.5795 -6.5392 -6.5392 -5.9015 -5.9015 -4.9161 -4.9161 0.9749 0.9749 1.4522 1.4522 3.1294 3.1294 3.3212 3.3212 4.0436 4.0436 4.4619 4.4619 5.2241 5.2241 5.4275 5.4275 5.8420 5.8420 6.8760 6.8760 9.2527 9.2527 11.0016 11.0016 11.2313 11.2313 11.3329 11.3329 k = 0.4607 0.4700 0.1199 ( 3558 PWs) bands (ev): -23.2498 -23.2498 -23.2454 -23.2454 -7.4336 -7.4336 -7.1082 -7.1082 -6.7306 -6.7306 -6.7106 -6.7106 -6.5748 -6.5748 -6.5340 -6.5340 -5.9101 -5.9101 -4.9081 -4.9081 0.9536 0.9536 1.4377 1.4377 3.1334 3.1334 3.3268 3.3268 4.1473 4.1473 4.4401 4.4401 5.2107 5.2107 5.3889 5.3889 5.8379 5.8379 6.8977 6.8977 9.3303 9.3303 10.9742 10.9742 11.1870 11.1870 11.3295 11.3295 k = 0.4663 0.4633 0.1028 ( 3558 PWs) bands (ev): -23.2504 -23.2504 -23.2460 -23.2460 -7.4405 -7.4405 -7.1109 -7.1109 -6.7271 -6.7271 -6.7104 -6.7104 -6.5705 -6.5705 -6.5294 -6.5294 -5.9176 -5.9176 -4.9011 -4.9011 0.9351 0.9351 1.4252 1.4252 3.1349 3.1349 3.3337 3.3337 4.2475 4.2475 4.4204 4.4204 5.1990 5.1990 5.3465 5.3465 5.8333 5.8333 6.9167 6.9167 9.4044 9.4044 10.9488 10.9488 11.1464 11.1464 11.3265 11.3265 k = 0.4719 0.4567 0.0856 ( 3560 PWs) bands (ev): -23.2508 -23.2508 -23.2466 -23.2466 -7.4464 -7.4464 -7.1131 -7.1131 -6.7241 -6.7241 -6.7104 -6.7104 -6.5666 -6.5666 -6.5254 -6.5254 -5.9240 -5.9240 -4.8951 -4.8951 0.9194 0.9194 1.4147 1.4147 3.1348 3.1348 3.3412 3.3412 4.3423 4.3423 4.4036 4.4036 5.1888 5.1888 5.3014 5.3014 5.8288 5.8288 6.9329 6.9329 9.4728 9.4728 10.9264 10.9264 11.1106 11.1106 11.3241 11.3241 k = 0.4775 0.4501 0.0685 ( 3556 PWs) bands (ev): -23.2512 -23.2512 -23.2471 -23.2471 -7.4513 -7.4513 -7.1150 -7.1150 -6.7215 -6.7215 -6.7107 -6.7107 -6.5633 -6.5633 -6.5219 -6.5219 -5.9292 -5.9292 -4.8902 -4.8902 0.9065 0.9065 1.4061 1.4061 3.1338 3.1338 3.3485 3.3485 4.3862 4.3862 4.4337 4.4337 5.1794 5.1794 5.2555 5.2555 5.8247 5.8247 6.9461 6.9461 9.5331 9.5331 10.9073 10.9073 11.0802 11.0802 11.3221 11.3221 k = 0.4832 0.4435 0.0514 ( 3564 PWs) bands (ev): -23.2515 -23.2515 -23.2475 -23.2475 -7.4551 -7.4551 -7.1164 -7.1164 -6.7193 -6.7193 -6.7113 -6.7113 -6.5607 -6.5607 -6.5193 -6.5193 -5.9332 -5.9332 -4.8863 -4.8863 0.8965 0.8965 1.3995 1.3995 3.1326 3.1326 3.3548 3.3548 4.3752 4.3752 4.5123 4.5123 5.1681 5.1681 5.2138 5.2138 5.8211 5.8211 6.9565 6.9565 9.5831 9.5831 10.8922 10.8922 11.0561 11.0561 11.3205 11.3205 k = 0.4888 0.4368 0.0343 ( 3564 PWs) bands (ev): -23.2518 -23.2518 -23.2477 -23.2477 -7.4579 -7.4579 -7.1175 -7.1175 -6.7173 -6.7173 -6.7120 -6.7120 -6.5587 -6.5587 -6.5173 -6.5173 -5.9361 -5.9361 -4.8836 -4.8836 0.8893 0.8893 1.3948 1.3948 3.1314 3.1314 3.3598 3.3598 4.3667 4.3667 4.5780 4.5780 5.1469 5.1469 5.1883 5.1883 5.8185 5.8185 6.9639 6.9639 9.6205 9.6205 10.8812 10.8812 11.0385 11.0385 11.3194 11.3194 k = 0.4944 0.4302 0.0171 ( 3564 PWs) bands (ev): -23.2519 -23.2519 -23.2479 -23.2479 -7.4595 -7.4595 -7.1181 -7.1181 -6.7157 -6.7157 -6.7129 -6.7129 -6.5576 -6.5576 -6.5161 -6.5161 -5.9378 -5.9378 -4.8819 -4.8819 0.8850 0.8850 1.3919 1.3919 3.1306 3.1306 3.3628 3.3628 4.3614 4.3614 4.6234 4.6234 5.1217 5.1217 5.1798 5.1798 5.8168 5.8168 6.9683 6.9683 9.6438 9.6438 10.8745 10.8745 11.0278 11.0278 11.3187 11.3187 k = 0.5000 0.4236-0.0000 ( 3570 PWs) bands (ev): -23.2520 -23.2520 -23.2479 -23.2479 -7.4601 -7.4601 -7.1183 -7.1183 -6.7146 -6.7146 -6.7138 -6.7138 -6.5572 -6.5572 -6.5157 -6.5157 -5.9384 -5.9384 -4.8814 -4.8814 0.8835 0.8835 1.3910 1.3910 3.1303 3.1303 3.3639 3.3639 4.3596 4.3596 4.6399 4.6399 5.1110 5.1110 5.1778 5.1778 5.8162 5.8162 6.9698 6.9698 9.6517 9.6517 10.8723 10.8723 11.0243 11.0243 11.3185 11.3185 k = 0.5000 0.4236-0.0000 ( 3570 PWs) bands (ev): -23.2520 -23.2520 -23.2479 -23.2479 -7.4601 -7.4601 -7.1183 -7.1183 -6.7146 -6.7146 -6.7138 -6.7138 -6.5572 -6.5572 -6.5157 -6.5157 -5.9384 -5.9384 -4.8814 -4.8814 0.8835 0.8835 1.3910 1.3910 3.1303 3.1303 3.3639 3.3639 4.3596 4.3596 4.6399 4.6399 5.1110 5.1110 5.1778 5.1778 5.8162 5.8162 6.9698 6.9698 9.6517 9.6517 10.8723 10.8723 11.0243 11.0243 11.3185 11.3185 k = 0.4853 0.4111-0.0000 ( 3580 PWs) bands (ev): -23.2521 -23.2521 -23.2478 -23.2478 -7.4593 -7.4593 -7.1181 -7.1181 -6.7156 -6.7156 -6.7132 -6.7132 -6.5574 -6.5574 -6.5157 -6.5157 -5.9390 -5.9390 -4.8818 -4.8818 0.8837 0.8837 1.3910 1.3910 3.1302 3.1302 3.3653 3.3653 4.3598 4.3598 4.6399 4.6399 5.1109 5.1109 5.1780 5.1780 5.8164 5.8164 6.9697 6.9697 9.6515 9.6515 10.8681 10.8681 11.0251 11.0251 11.3213 11.3213 k = 0.4706 0.3987-0.0000 ( 3574 PWs) bands (ev): -23.2526 -23.2526 -23.2473 -23.2473 -7.4568 -7.4568 -7.1172 -7.1172 -6.7173 -6.7173 -6.7126 -6.7126 -6.5579 -6.5579 -6.5158 -6.5158 -5.9408 -5.9408 -4.8830 -4.8830 0.8842 0.8842 1.3911 1.3911 3.1297 3.1297 3.3696 3.3696 4.3604 4.3604 4.6399 4.6399 5.1106 5.1106 5.1786 5.1786 5.8170 5.8170 6.9697 6.9697 9.6509 9.6509 10.8556 10.8556 11.0272 11.0272 11.3297 11.3297 k = 0.4559 0.3862-0.0000 ( 3566 PWs) bands (ev): -23.2532 -23.2532 -23.2467 -23.2467 -7.4527 -7.4527 -7.1159 -7.1159 -6.7195 -6.7195 -6.7122 -6.7122 -6.5588 -6.5588 -6.5160 -6.5160 -5.9438 -5.9438 -4.8851 -4.8851 0.8851 0.8851 1.3912 1.3912 3.1289 3.1289 3.3767 3.3767 4.3613 4.3613 4.6400 4.6400 5.1101 5.1101 5.1795 5.1795 5.8180 5.8180 6.9695 6.9695 9.6498 9.6498 10.8357 10.8357 11.0302 11.0302 11.3436 11.3436 k = 0.4412 0.3738-0.0000 ( 3562 PWs) bands (ev): -23.2538 -23.2538 -23.2460 -23.2460 -7.4471 -7.4471 -7.1140 -7.1140 -6.7222 -6.7222 -6.7122 -6.7122 -6.5600 -6.5600 -6.5163 -6.5163 -5.9480 -5.9480 -4.8879 -4.8879 0.8863 0.8863 1.3914 1.3914 3.1278 3.1278 3.3866 3.3866 4.3626 4.3626 4.6400 4.6400 5.1094 5.1094 5.1808 5.1808 5.8194 5.8194 6.9693 6.9693 9.6484 9.6484 10.8089 10.8089 11.0334 11.0334 11.3627 11.3627 k = 0.4265 0.3613-0.0000 ( 3564 PWs) bands (ev): -23.2545 -23.2545 -23.2453 -23.2453 -7.4398 -7.4398 -7.1116 -7.1116 -6.7253 -6.7253 -6.7123 -6.7123 -6.5615 -6.5615 -6.5166 -6.5166 -5.9534 -5.9534 -4.8915 -4.8915 0.8879 0.8879 1.3916 1.3916 3.1265 3.1265 3.3991 3.3991 4.3642 4.3642 4.6401 4.6401 5.1085 5.1085 5.1825 5.1825 5.8211 5.8211 6.9691 6.9691 9.6466 9.6466 10.7760 10.7760 11.0363 11.0363 11.3854 11.3854 k = 0.4118 0.3488-0.0000 ( 3556 PWs) bands (ev): -23.2553 -23.2553 -23.2446 -23.2446 -7.4309 -7.4309 -7.1087 -7.1087 -6.7291 -6.7291 -6.7127 -6.7127 -6.5631 -6.5631 -6.5171 -6.5171 -5.9600 -5.9600 -4.8959 -4.8959 0.8897 0.8897 1.3919 1.3919 3.1250 3.1250 3.4142 3.4142 4.3661 4.3661 4.6402 4.6402 5.1075 5.1075 5.1845 5.1845 5.8232 5.8232 6.9688 6.9688 9.6444 9.6444 10.7373 10.7373 11.0383 11.0383 11.3541 11.3541 k = 0.3971 0.3364-0.0000 ( 3548 PWs) bands (ev): -23.2560 -23.2560 -23.2438 -23.2438 -7.4205 -7.4205 -7.1053 -7.1053 -6.7333 -6.7333 -6.7132 -6.7132 -6.5649 -6.5649 -6.5176 -6.5176 -5.9679 -5.9679 -4.9010 -4.9010 0.8919 0.8919 1.3923 1.3923 3.1234 3.1234 3.4318 3.4318 4.3683 4.3683 4.6403 4.6403 5.1063 5.1063 5.1869 5.1869 5.8256 5.8256 6.9684 6.9684 9.6419 9.6419 10.6934 10.6934 11.0383 11.0383 11.2665 11.2665 k = 0.3824 0.3239-0.0000 ( 3552 PWs) bands (ev): -23.2567 -23.2567 -23.2431 -23.2431 -7.4086 -7.4086 -7.1015 -7.1015 -6.7381 -6.7381 -6.7140 -6.7140 -6.5667 -6.5667 -6.5182 -6.5182 -5.9771 -5.9771 -4.9068 -4.9068 0.8944 0.8944 1.3927 1.3927 3.1216 3.1216 3.4517 3.4517 4.3707 4.3707 4.6405 4.6405 5.1049 5.1049 5.1897 5.1897 5.8283 5.8283 6.9681 6.9681 9.6390 9.6390 10.6446 10.6446 11.0326 11.0326 11.1844 11.1844 k = 0.3676 0.3115-0.0000 ( 3540 PWs) bands (ev): -23.2574 -23.2574 -23.2424 -23.2424 -7.3951 -7.3951 -7.0972 -7.0972 -6.7433 -6.7433 -6.7149 -6.7149 -6.5685 -6.5685 -6.5188 -6.5188 -5.9876 -5.9876 -4.9132 -4.9132 0.8972 0.8972 1.3932 1.3932 3.1197 3.1197 3.4739 3.4739 4.3732 4.3732 4.6407 4.6407 5.1035 5.1035 5.1928 5.1928 5.8313 5.8313 6.9676 6.9676 9.6359 9.6359 10.5914 10.5914 11.0089 11.0089 11.1224 11.1224 k = 0.3529 0.2990-0.0000 ( 3540 PWs) bands (ev): -23.2582 -23.2582 -23.2417 -23.2417 -7.3802 -7.3802 -7.0926 -7.0926 -6.7491 -6.7491 -6.7160 -6.7160 -6.5703 -6.5703 -6.5196 -6.5196 -5.9994 -5.9994 -4.9202 -4.9202 0.9002 0.9002 1.3938 1.3938 3.1178 3.1178 3.4981 3.4981 4.3758 4.3758 4.6410 4.6410 5.1019 5.1019 5.1963 5.1963 5.8346 5.8346 6.9672 6.9672 9.6325 9.6325 10.5342 10.5342 10.9527 10.9527 11.0956 11.0956 k = 0.3382 0.2865-0.0000 ( 3536 PWs) bands (ev): -23.2589 -23.2589 -23.2410 -23.2410 -7.3639 -7.3639 -7.0877 -7.0877 -6.7552 -6.7552 -6.7172 -6.7172 -6.5719 -6.5719 -6.5205 -6.5205 -6.0125 -6.0125 -4.9278 -4.9278 0.9035 0.9035 1.3944 1.3944 3.1157 3.1157 3.5243 3.5243 4.3785 4.3785 4.6414 4.6414 5.1001 5.1001 5.2001 5.2001 5.8382 5.8382 6.9667 6.9667 9.6288 9.6288 10.4736 10.4736 10.8788 10.8788 11.0894 11.0894 k = 0.3235 0.2741-0.0000 ( 3532 PWs) bands (ev): -23.2596 -23.2596 -23.2403 -23.2403 -7.3461 -7.3461 -7.0825 -7.0825 -6.7617 -6.7617 -6.7185 -6.7185 -6.5734 -6.5734 -6.5214 -6.5214 -6.0269 -6.0269 -4.9358 -4.9358 0.9069 0.9069 1.3951 1.3951 3.1137 3.1137 3.5524 3.5524 4.3812 4.3812 4.6418 4.6418 5.0983 5.0983 5.2043 5.2043 5.8419 5.8419 6.9662 6.9662 9.6249 9.6249 10.4102 10.4102 10.8013 10.8013 11.0898 11.0898 k = 0.3088 0.2616-0.0000 ( 3524 PWs) bands (ev): -23.2603 -23.2603 -23.2396 -23.2396 -7.3271 -7.3271 -7.0771 -7.0771 -6.7683 -6.7683 -6.7200 -6.7200 -6.5748 -6.5748 -6.5224 -6.5224 -6.0427 -6.0427 -4.9442 -4.9442 0.9106 0.9106 1.3959 1.3959 3.1116 3.1116 3.5821 3.5821 4.3837 4.3837 4.6422 4.6422 5.0964 5.0964 5.2087 5.2087 5.8458 5.8458 6.9657 6.9657 9.6209 9.6209 10.3447 10.3447 10.7243 10.7243 11.0928 11.0928 k = 0.2941 0.2492-0.0000 ( 3528 PWs) bands (ev): -23.2610 -23.2610 -23.2389 -23.2389 -7.3068 -7.3068 -7.0715 -7.0715 -6.7751 -6.7751 -6.7217 -6.7217 -6.5759 -6.5759 -6.5235 -6.5235 -6.0599 -6.0599 -4.9530 -4.9530 0.9144 0.9144 1.3967 1.3967 3.1095 3.1095 3.6132 3.6132 4.3862 4.3862 4.6427 4.6427 5.0944 5.0944 5.2135 5.2135 5.8499 5.8499 6.9652 6.9652 9.6167 9.6167 10.2779 10.2779 10.6488 10.6488 11.0971 11.0971 k = 0.2794 0.2367-0.0000 ( 3542 PWs) bands (ev): -23.2617 -23.2617 -23.2383 -23.2383 -7.2853 -7.2853 -7.0659 -7.0659 -6.7819 -6.7819 -6.7234 -6.7234 -6.5768 -6.5768 -6.5247 -6.5247 -6.0784 -6.0784 -4.9621 -4.9621 0.9183 0.9183 1.3976 1.3976 3.1075 3.1075 3.6458 3.6458 4.3884 4.3884 4.6432 4.6432 5.0923 5.0923 5.2186 5.2186 5.8540 5.8540 6.9647 6.9647 9.6124 9.6124 10.2106 10.2106 10.5751 10.5751 11.1021 11.1021 k = 0.2647 0.2243-0.0000 ( 3546 PWs) bands (ev): -23.2623 -23.2623 -23.2377 -23.2377 -7.2627 -7.2627 -7.0602 -7.0602 -6.7885 -6.7885 -6.7253 -6.7253 -6.5775 -6.5775 -6.5260 -6.5260 -6.0981 -6.0981 -4.9713 -4.9713 0.9223 0.9223 1.3985 1.3985 3.1054 3.1054 3.6794 3.6794 4.3904 4.3904 4.6437 4.6437 5.0902 5.0902 5.2239 5.2239 5.8583 5.8583 6.9641 6.9641 9.6080 9.6080 10.1437 10.1437 10.5033 10.5033 11.1077 11.1077 k = 0.2500 0.2118-0.0000 ( 3546 PWs) bands (ev): -23.2630 -23.2630 -23.2371 -23.2371 -7.2390 -7.2390 -7.0545 -7.0545 -6.7949 -6.7949 -6.7273 -6.7273 -6.5780 -6.5780 -6.5274 -6.5274 -6.1192 -6.1192 -4.9807 -4.9807 0.9263 0.9263 1.3995 1.3995 3.1034 3.1034 3.7140 3.7140 4.3920 4.3920 4.6443 4.6443 5.0880 5.0880 5.2294 5.2294 5.8625 5.8625 6.9636 6.9636 9.6036 9.6036 10.0779 10.0779 10.4332 10.4332 11.1136 11.1136 k = 0.2353 0.1993-0.0000 ( 3552 PWs) bands (ev): -23.2636 -23.2636 -23.2366 -23.2366 -7.2144 -7.2144 -7.0490 -7.0490 -6.8008 -6.8008 -6.7294 -6.7294 -6.5783 -6.5783 -6.5288 -6.5288 -6.1415 -6.1415 -4.9901 -4.9901 0.9304 0.9304 1.4006 1.4006 3.1015 3.1015 3.7494 3.7494 4.3932 4.3932 4.6448 4.6448 5.0859 5.0859 5.2351 5.2351 5.8668 5.8668 6.9630 6.9630 9.5991 9.5991 10.0139 10.0139 10.3647 10.3647 11.1198 11.1198 k = 0.2206 0.1869-0.0000 ( 3562 PWs) bands (ev): -23.2642 -23.2642 -23.2360 -23.2360 -7.1891 -7.1891 -7.0437 -7.0437 -6.8061 -6.8061 -6.7315 -6.7315 -6.5784 -6.5784 -6.5303 -6.5303 -6.1651 -6.1651 -4.9995 -4.9995 0.9344 0.9344 1.4016 1.4016 3.0996 3.0996 3.7854 3.7854 4.3939 4.3939 4.6452 4.6452 5.0837 5.0837 5.2408 5.2408 5.8710 5.8710 6.9625 6.9625 9.5947 9.5947 9.9525 9.9525 10.2979 10.2979 11.1261 11.1261 k = 0.2059 0.1744-0.0000 ( 3562 PWs) bands (ev): -23.2647 -23.2647 -23.2355 -23.2355 -7.1631 -7.1631 -7.0386 -7.0386 -6.8106 -6.8106 -6.7337 -6.7337 -6.5783 -6.5783 -6.5318 -6.5318 -6.1897 -6.1897 -5.0088 -5.0088 0.9383 0.9383 1.4028 1.4028 3.0978 3.0978 3.8216 3.8216 4.3942 4.3942 4.6456 4.6456 5.0815 5.0815 5.2466 5.2466 5.8752 5.8752 6.9619 6.9619 9.5902 9.5902 9.8942 9.8942 10.2327 10.2327 11.1325 11.1325 k = 0.1912 0.1620-0.0000 ( 3570 PWs) bands (ev): -23.2653 -23.2653 -23.2351 -23.2351 -7.1368 -7.1368 -7.0337 -7.0337 -6.8144 -6.8144 -6.7358 -6.7358 -6.5780 -6.5780 -6.5335 -6.5335 -6.2155 -6.2155 -5.0179 -5.0179 0.9421 0.9421 1.4039 1.4039 3.0961 3.0961 3.8580 3.8580 4.3938 4.3938 4.6459 4.6459 5.0794 5.0794 5.2524 5.2524 5.8793 5.8793 6.9613 6.9613 9.5857 9.5857 9.8396 9.8396 10.1692 10.1692 11.1388 11.1388 k = 0.1765 0.1495-0.0000 ( 3570 PWs) bands (ev): -23.2658 -23.2658 -23.2346 -23.2346 -7.1105 -7.1105 -7.0289 -7.0289 -6.8171 -6.8171 -6.7378 -6.7378 -6.5776 -6.5776 -6.5351 -6.5351 -6.2423 -6.2423 -5.0267 -5.0267 0.9458 0.9458 1.4050 1.4050 3.0945 3.0945 3.8943 3.8943 4.3928 4.3928 4.6460 4.6460 5.0773 5.0773 5.2580 5.2580 5.8832 5.8832 6.9608 6.9608 9.5811 9.5811 9.7891 9.7891 10.1075 10.1075 11.1449 11.1449 k = 0.1618 0.1370-0.0000 ( 3564 PWs) bands (ev): -23.2663 -23.2663 -23.2341 -23.2341 -7.0851 -7.0851 -7.0234 -7.0234 -6.8188 -6.8188 -6.7395 -6.7395 -6.5770 -6.5770 -6.5369 -6.5369 -6.2700 -6.2700 -5.0352 -5.0352 0.9493 0.9493 1.4061 1.4061 3.0929 3.0929 3.9302 3.9302 4.3912 4.3912 4.6460 4.6460 5.0752 5.0752 5.2634 5.2634 5.8869 5.8869 6.9603 6.9603 9.5765 9.5765 9.7434 9.7434 10.0479 10.0479 11.1508 11.1508 k = 0.1471 0.1246-0.0000 ( 3568 PWs) bands (ev): -23.2667 -23.2667 -23.2337 -23.2337 -7.0624 -7.0624 -7.0160 -7.0160 -6.8194 -6.8194 -6.7408 -6.7408 -6.5763 -6.5763 -6.5387 -6.5387 -6.2986 -6.2986 -5.0432 -5.0432 0.9527 0.9527 1.4072 1.4072 3.0915 3.0915 3.9654 3.9654 4.3887 4.3887 4.6459 4.6459 5.0733 5.0733 5.2686 5.2686 5.8905 5.8905 6.9597 6.9597 9.5715 9.5715 9.7028 9.7028 9.9906 9.9906 11.1564 11.1564 k = 0.1324 0.1121-0.0000 ( 3570 PWs) bands (ev): -23.2671 -23.2671 -23.2334 -23.2334 -7.0457 -7.0457 -7.0034 -7.0034 -6.8191 -6.8191 -6.7413 -6.7413 -6.5755 -6.5755 -6.5406 -6.5406 -6.3278 -6.3278 -5.0507 -5.0507 0.9557 0.9557 1.4082 1.4082 3.0902 3.0902 3.9998 3.9998 4.3854 4.3854 4.6456 4.6456 5.0715 5.0715 5.2735 5.2735 5.8938 5.8938 6.9592 6.9592 9.5661 9.5661 9.6680 9.6680 9.9358 9.9358 11.1617 11.1617 k = 0.1176 0.0997-0.0000 ( 3570 PWs) bands (ev): -23.2674 -23.2674 -23.2330 -23.2330 -7.0368 -7.0368 -6.9845 -6.9845 -6.8180 -6.8180 -6.7406 -6.7406 -6.5746 -6.5746 -6.5425 -6.5425 -6.3577 -6.3577 -5.0577 -5.0577 0.9585 0.9585 1.4092 1.4092 3.0890 3.0890 4.0330 4.0330 4.3813 4.3813 4.6452 4.6452 5.0698 5.0698 5.2780 5.2780 5.8968 5.8968 6.9588 6.9588 9.5598 9.5598 9.6394 9.6394 9.8838 9.8838 11.1664 11.1664 k = 0.1029 0.0872-0.0000 ( 3572 PWs) bands (ev): -23.2677 -23.2677 -23.2328 -23.2328 -7.0325 -7.0325 -6.9628 -6.9628 -6.8164 -6.8164 -6.7380 -6.7380 -6.5737 -6.5737 -6.5445 -6.5445 -6.3879 -6.3879 -5.0640 -5.0640 0.9611 0.9611 1.4101 1.4101 3.0880 3.0880 4.0647 4.0647 4.3763 4.3763 4.6447 4.6447 5.0683 5.0683 5.2820 5.2820 5.8995 5.8995 6.9583 6.9583 9.5524 9.5524 9.6177 9.6177 9.8351 9.8351 11.1707 11.1707 k = 0.0882 0.0748-0.0000 ( 3566 PWs) bands (ev): -23.2680 -23.2680 -23.2325 -23.2325 -7.0303 -7.0303 -6.9412 -6.9412 -6.8148 -6.8148 -6.7326 -6.7326 -6.5728 -6.5728 -6.5466 -6.5466 -6.4182 -6.4182 -5.0695 -5.0695 0.9633 0.9633 1.4109 1.4109 3.0871 3.0871 4.0946 4.0946 4.3704 4.3704 4.6440 4.6440 5.0669 5.0669 5.2856 5.2856 5.9020 5.9020 6.9579 6.9579 9.5439 9.5439 9.6028 9.6028 9.7900 9.7900 11.1745 11.1745 k = 0.0735 0.0623-0.0000 ( 3568 PWs) bands (ev): -23.2682 -23.2682 -23.2323 -23.2323 -7.0292 -7.0292 -6.9215 -6.9215 -6.8138 -6.8138 -6.7236 -6.7236 -6.5720 -6.5720 -6.5490 -6.5490 -6.4482 -6.4482 -5.0744 -5.0744 0.9652 0.9652 1.4117 1.4117 3.0863 3.0863 4.1222 4.1222 4.3637 4.3637 4.6434 4.6434 5.0658 5.0658 5.2886 5.2886 5.9041 5.9041 6.9576 6.9576 9.5356 9.5356 9.5934 9.5934 9.7489 9.7489 11.1777 11.1777 k = 0.0588 0.0498-0.0000 ( 3568 PWs) bands (ev): -23.2684 -23.2684 -23.2321 -23.2321 -7.0286 -7.0286 -6.9046 -6.9046 -6.8136 -6.8136 -6.7105 -6.7105 -6.5716 -6.5716 -6.5519 -6.5519 -6.4771 -6.4771 -5.0784 -5.0784 0.9668 0.9668 1.4123 1.4123 3.0856 3.0856 4.1471 4.1471 4.3564 4.3564 4.6428 4.6428 5.0648 5.0648 5.2912 5.2912 5.9058 5.9058 6.9573 6.9573 9.5289 9.5289 9.5881 9.5881 9.7123 9.7123 11.1803 11.1803 k = 0.0441 0.0374-0.0000 ( 3568 PWs) bands (ev): -23.2686 -23.2686 -23.2319 -23.2319 -7.0284 -7.0284 -6.8910 -6.8910 -6.8143 -6.8143 -6.6933 -6.6933 -6.5725 -6.5725 -6.5557 -6.5557 -6.5032 -6.5032 -5.0815 -5.0815 0.9681 0.9681 1.4127 1.4127 3.0851 3.0851 4.1685 4.1685 4.3489 4.3489 4.6422 4.6422 5.0640 5.0640 5.2931 5.2931 5.9072 5.9072 6.9570 6.9570 9.5245 9.5245 9.5857 9.5857 9.6809 9.6809 11.1824 11.1824 k = 0.0294 0.0249-0.0000 ( 3568 PWs) bands (ev): -23.2687 -23.2687 -23.2318 -23.2318 -7.0283 -7.0283 -6.8809 -6.8809 -6.8155 -6.8155 -6.6731 -6.6731 -6.5779 -6.5779 -6.5602 -6.5602 -6.5227 -6.5227 -5.0838 -5.0838 0.9690 0.9690 1.4131 1.4131 3.0847 3.0847 4.1855 4.1855 4.3421 4.3421 4.6418 4.6418 5.0635 5.0635 5.2945 5.2945 5.9082 5.9082 6.9569 6.9569 9.5224 9.5224 9.5856 9.5856 9.6557 9.6557 11.1839 11.1839 k = 0.0147 0.0125-0.0000 ( 3573 PWs) bands (ev): -23.2688 -23.2688 -23.2318 -23.2318 -7.0284 -7.0284 -6.8747 -6.8747 -6.8166 -6.8166 -6.6520 -6.6520 -6.5919 -6.5919 -6.5626 -6.5626 -6.5327 -6.5327 -5.0852 -5.0852 0.9695 0.9695 1.4133 1.4133 3.0845 3.0845 4.1967 4.1967 4.3371 4.3371 4.6415 4.6415 5.0631 5.0631 5.2954 5.2954 5.9088 5.9088 6.9567 6.9567 9.5218 9.5218 9.5870 9.5870 9.6382 9.6382 11.1847 11.1847 k = 0.0000 0.0000 0.0000 ( 3573 PWs) bands (ev): -23.2688 -23.2688 -23.2318 -23.2318 -7.0284 -7.0284 -6.8726 -6.8726 -6.8170 -6.8170 -6.6393 -6.6393 -6.6032 -6.6032 -6.5632 -6.5632 -6.5354 -6.5354 -5.0857 -5.0857 0.9697 0.9697 1.4134 1.4134 3.0845 3.0845 4.2006 4.2006 4.3352 4.3352 4.6414 4.6414 5.0630 5.0630 5.2957 5.2957 5.9090 5.9090 6.9567 6.9567 9.5217 9.5217 9.5881 9.5881 9.6316 9.6316 11.1850 11.1850 k = 0.0000 0.0000 0.0000 ( 3573 PWs) bands (ev): -23.2688 -23.2688 -23.2318 -23.2318 -7.0284 -7.0284 -6.8726 -6.8726 -6.8170 -6.8170 -6.6393 -6.6393 -6.6032 -6.6032 -6.5632 -6.5632 -6.5354 -6.5354 -5.0857 -5.0857 0.9697 0.9697 1.4134 1.4134 3.0845 3.0845 4.2006 4.2006 4.3352 4.3352 4.6414 4.6414 5.0630 5.0630 5.2957 5.2957 5.9090 5.9090 6.9567 6.9567 9.5217 9.5217 9.5881 9.5881 9.6316 9.6316 11.1850 11.1850 k = 0.0112-0.0132 0.0088 ( 3573 PWs) bands (ev): -23.2688 -23.2688 -23.2318 -23.2318 -7.0287 -7.0287 -6.8743 -6.8743 -6.8166 -6.8166 -6.6468 -6.6468 -6.5945 -6.5945 -6.5631 -6.5631 -6.5348 -6.5348 -5.0859 -5.0859 0.9704 0.9704 1.4138 1.4138 3.0840 3.0840 4.2005 4.2005 4.3351 4.3351 4.6416 4.6416 5.0631 5.0631 5.2960 5.2960 5.9045 5.9045 6.9554 6.9554 9.5229 9.5229 9.5909 9.5909 9.6348 9.6348 11.1855 11.1855 k = 0.0224-0.0265 0.0176 ( 3569 PWs) bands (ev): -23.2687 -23.2687 -23.2318 -23.2318 -7.0296 -7.0296 -6.8793 -6.8793 -6.8155 -6.8155 -6.6601 -6.6601 -6.5781 -6.5781 -6.5627 -6.5627 -6.5324 -6.5324 -5.0867 -5.0867 0.9726 0.9726 1.4149 1.4149 3.0828 3.0828 4.2002 4.2002 4.3345 4.3345 4.6423 4.6423 5.0634 5.0634 5.2968 5.2968 5.8914 5.8914 6.9514 6.9514 9.5261 9.5261 9.5990 9.5990 9.6448 9.6448 11.1869 11.1869 k = 0.0337-0.0397 0.0264 ( 3565 PWs) bands (ev): -23.2686 -23.2686 -23.2319 -23.2319 -7.0314 -7.0314 -6.8869 -6.8869 -6.8138 -6.8138 -6.6731 -6.6731 -6.5650 -6.5650 -6.5597 -6.5597 -6.5258 -6.5258 -5.0880 -5.0880 0.9761 0.9761 1.4169 1.4169 3.0808 3.0808 4.1997 4.1997 4.3337 4.3337 4.6434 4.6434 5.0639 5.0639 5.2983 5.2983 5.8700 5.8700 6.9448 6.9448 9.5300 9.5300 9.6124 9.6124 9.6624 9.6624 11.1895 11.1895 k = 0.0449-0.0530 0.0352 ( 3565 PWs) bands (ev): -23.2684 -23.2684 -23.2321 -23.2321 -7.0342 -7.0342 -6.8966 -6.8966 -6.8120 -6.8120 -6.6844 -6.6844 -6.5632 -6.5632 -6.5518 -6.5518 -6.5113 -6.5113 -5.0897 -5.0897 0.9809 0.9809 1.4197 1.4197 3.0780 3.0780 4.1988 4.1988 4.3325 4.3325 4.6450 4.6450 5.0645 5.0645 5.3003 5.3003 5.8408 5.8408 6.9359 6.9359 9.5333 9.5333 9.6316 9.6316 9.6877 9.6877 11.1935 11.1935 k = 0.0561-0.0662 0.0440 ( 3559 PWs) bands (ev): -23.2682 -23.2682 -23.2322 -23.2322 -7.0382 -7.0382 -6.9075 -6.9075 -6.8101 -6.8101 -6.6939 -6.6939 -6.5626 -6.5626 -6.5480 -6.5480 -6.4903 -6.4903 -5.0918 -5.0918 0.9868 0.9868 1.4232 1.4232 3.0745 3.0745 4.1975 4.1975 4.3310 4.3310 4.6470 4.6470 5.0653 5.0653 5.3028 5.3028 5.8047 5.8047 6.9248 6.9248 9.5351 9.5351 9.6569 9.6569 9.7201 9.7201 11.1990 11.1990 k = 0.0673-0.0795 0.0528 ( 3559 PWs) bands (ev): -23.2680 -23.2680 -23.2324 -23.2324 -7.0439 -7.0439 -6.9188 -6.9188 -6.8081 -6.8081 -6.7014 -6.7014 -6.5620 -6.5620 -6.5463 -6.5463 -6.4663 -6.4663 -5.0942 -5.0942 0.9937 0.9937 1.4275 1.4275 3.0704 3.0704 4.1957 4.1957 4.3293 4.3293 4.6496 4.6496 5.0661 5.0661 5.3059 5.3059 5.7625 5.7625 6.9119 6.9119 9.5353 9.5353 9.6883 9.6883 9.7584 9.7584 11.2066 11.2066 k = 0.0785-0.0927 0.0616 ( 3551 PWs) bands (ev): -23.2678 -23.2678 -23.2326 -23.2326 -7.0516 -7.0516 -6.9296 -6.9296 -6.8061 -6.8061 -6.7073 -6.7073 -6.5615 -6.5615 -6.5455 -6.5455 -6.4411 -6.4411 -5.0969 -5.0969 1.0014 1.0014 1.4326 1.4326 3.0656 3.0656 4.1932 4.1932 4.3274 4.3274 4.6526 4.6526 5.0670 5.0670 5.3095 5.3095 5.7152 5.7152 6.8975 6.8975 9.5340 9.5340 9.7255 9.7255 9.8017 9.8017 11.2164 11.2164 k = 0.0898-0.1060 0.0704 ( 3543 PWs) bands (ev): -23.2674 -23.2674 -23.2329 -23.2329 -7.0617 -7.0617 -6.9392 -6.9392 -6.8042 -6.8042 -6.7119 -6.7119 -6.5608 -6.5608 -6.5451 -6.5451 -6.4153 -6.4153 -5.0996 -5.0996 1.0097 1.0097 1.4384 1.4384 3.0604 3.0604 4.1898 4.1898 4.3254 4.3254 4.6562 4.6562 5.0679 5.0679 5.3136 5.3136 5.6639 5.6639 6.8820 6.8820 9.5316 9.5316 9.7676 9.7676 9.8488 9.8488 11.2287 11.2287 k = 0.1010-0.1192 0.0792 ( 3547 PWs) bands (ev): -23.2671 -23.2671 -23.2332 -23.2332 -7.0742 -7.0742 -6.9471 -6.9471 -6.8023 -6.8023 -6.7153 -6.7153 -6.5601 -6.5601 -6.5449 -6.5449 -6.3894 -6.3894 -5.1024 -5.1024 1.0183 1.0183 1.4449 1.4449 3.0547 3.0547 4.1854 4.1854 4.3233 4.3233 4.6604 4.6604 5.0688 5.0688 5.3181 5.3181 5.6096 5.6096 6.8658 6.8658 9.5284 9.5284 9.8140 9.8140 9.8987 9.8987 11.2438 11.2438 k = 0.1122-0.1324 0.0880 ( 3541 PWs) bands (ev): -23.2667 -23.2667 -23.2336 -23.2336 -7.0889 -7.0889 -6.9535 -6.9535 -6.8004 -6.8004 -6.7178 -6.7178 -6.5594 -6.5594 -6.5448 -6.5448 -6.3636 -6.3636 -5.1050 -5.1050 1.0271 1.0271 1.4520 1.4520 3.0487 3.0487 4.1797 4.1797 4.3212 4.3212 4.6652 4.6652 5.0693 5.0693 5.3231 5.3231 5.5534 5.5534 6.8492 6.8492 9.5248 9.5248 9.8637 9.8637 9.9509 9.9509 11.2615 11.2615 k = 0.1234-0.1457 0.0968 ( 3533 PWs) bands (ev): -23.2663 -23.2663 -23.2340 -23.2340 -7.1054 -7.1054 -6.9583 -6.9583 -6.7985 -6.7985 -6.7196 -6.7196 -6.5586 -6.5586 -6.5448 -6.5448 -6.3380 -6.3380 -5.1074 -5.1074 1.0358 1.0358 1.4596 1.4596 3.0424 3.0424 4.1727 4.1727 4.3193 4.3193 4.6706 4.6706 5.0696 5.0696 5.3283 5.3283 5.4964 5.4964 6.8328 6.8328 9.5208 9.5208 9.9157 9.9157 10.0049 10.0049 11.2818 11.2818 k = 0.1347-0.1589 0.1056 ( 3533 PWs) bands (ev): -23.2659 -23.2659 -23.2344 -23.2344 -7.1232 -7.1232 -6.9620 -6.9620 -6.7965 -6.7965 -6.7208 -6.7208 -6.5578 -6.5578 -6.5448 -6.5448 -6.3128 -6.3128 -5.1094 -5.1094 1.0442 1.0442 1.4675 1.4675 3.0359 3.0359 4.1641 4.1641 4.3175 4.3175 4.6768 4.6768 5.0691 5.0691 5.3336 5.3336 5.4400 5.4400 6.8167 6.8167 9.5166 9.5166 9.9689 9.9689 10.0606 10.0606 11.3041 11.3041 k = 0.1459-0.1722 0.1144 ( 3533 PWs) bands (ev): -23.2654 -23.2654 -23.2348 -23.2348 -7.1418 -7.1418 -6.9649 -6.9649 -6.7945 -6.7945 -6.7215 -6.7215 -6.5569 -6.5569 -6.5448 -6.5448 -6.2882 -6.2882 -5.1109 -5.1109 1.0522 1.0522 1.4756 1.4756 3.0294 3.0294 4.1539 4.1539 4.3159 4.3159 4.6837 4.6837 5.0677 5.0677 5.3374 5.3374 5.3868 5.3868 6.8015 6.8015 9.5125 9.5125 10.0222 10.0222 10.1182 10.1182 11.3278 11.3278 k = 0.1571-0.1854 0.1232 ( 3539 PWs) bands (ev): -23.2649 -23.2649 -23.2353 -23.2353 -7.1610 -7.1610 -6.9673 -6.9673 -6.7925 -6.7925 -6.7219 -6.7219 -6.5560 -6.5560 -6.5448 -6.5448 -6.2642 -6.2642 -5.1118 -5.1118 1.0596 1.0596 1.4836 1.4836 3.0229 3.0229 4.1419 4.1419 4.3145 4.3145 4.6914 4.6914 5.0646 5.0646 5.3213 5.3213 5.3565 5.3565 6.7874 6.7874 9.5086 9.5086 10.0743 10.0743 10.1781 10.1781 11.3517 11.3518 k = 0.1683-0.1987 0.1320 ( 3539 PWs) bands (ev): -23.2644 -23.2644 -23.2358 -23.2358 -7.1802 -7.1802 -6.9694 -6.9694 -6.7904 -6.7904 -6.7219 -6.7219 -6.5552 -6.5552 -6.5448 -6.5448 -6.2409 -6.2409 -5.1119 -5.1119 1.0662 1.0662 1.4913 1.4913 3.0166 3.0166 4.1281 4.1281 4.3134 4.3134 4.7001 4.7001 5.0590 5.0590 5.2772 5.2772 5.3588 5.3588 6.7747 6.7747 9.5050 9.5050 10.1246 10.1246 10.2404 10.2404 11.3748 11.3748 k = 0.1795-0.2119 0.1408 ( 3547 PWs) bands (ev): -23.2639 -23.2639 -23.2363 -23.2363 -7.1994 -7.1994 -6.9715 -6.9715 -6.7883 -6.7883 -6.7217 -6.7217 -6.5544 -6.5544 -6.5446 -6.5446 -6.2185 -6.2185 -5.1111 -5.1111 1.0719 1.0719 1.4984 1.4984 3.0105 3.0105 4.1125 4.1125 4.3126 4.3126 4.7097 4.7097 5.0492 5.0492 5.2354 5.2354 5.3654 5.3654 6.7637 6.7637 9.5018 9.5018 10.1728 10.1728 10.3049 10.3049 11.3958 11.3958 k = 0.1908-0.2252 0.1496 ( 3548 PWs) bands (ev): -23.2634 -23.2634 -23.2369 -23.2369 -7.2183 -7.2183 -6.9736 -6.9736 -6.7860 -6.7860 -6.7214 -6.7214 -6.5537 -6.5537 -6.5444 -6.5444 -6.1969 -6.1969 -5.1095 -5.1095 1.0767 1.0767 1.5048 1.5048 3.0047 3.0047 4.0950 4.0950 4.3120 4.3120 4.7204 4.7204 5.0335 5.0335 5.2016 5.2016 5.3730 5.3730 6.7544 6.7544 9.4992 9.4992 10.2189 10.2189 10.3713 10.3713 11.4136 11.4136 k = 0.2020-0.2384 0.1584 ( 3544 PWs) bands (ev): -23.2628 -23.2628 -23.2374 -23.2374 -7.2368 -7.2368 -6.9760 -6.9760 -6.7837 -6.7837 -6.7209 -6.7209 -6.5531 -6.5531 -6.5440 -6.5440 -6.1763 -6.1763 -5.1068 -5.1068 1.0804 1.0804 1.5101 1.5101 2.9992 2.9992 4.0757 4.0757 4.3118 4.3118 4.7322 4.7322 5.0110 5.0110 5.1772 5.1772 5.3813 5.3813 6.7472 6.7472 9.4973 9.4973 10.2635 10.2635 10.4388 10.4388 11.4274 11.4274 k = 0.2132-0.2517 0.1672 ( 3530 PWs) bands (ev): -23.2622 -23.2622 -23.2379 -23.2379 -7.2548 -7.2548 -6.9787 -6.9787 -6.7812 -6.7812 -6.7203 -6.7203 -6.5527 -6.5527 -6.5434 -6.5434 -6.1566 -6.1566 -5.1030 -5.1030 1.0831 1.0831 1.5140 1.5140 2.9943 2.9943 4.0546 4.0546 4.3119 4.3119 4.7451 4.7451 4.9829 4.9829 5.1616 5.1616 5.3900 5.3900 6.7420 6.7420 9.4961 9.4961 10.3068 10.3068 10.5069 10.5069 11.4370 11.4370 k = 0.2244-0.2649 0.1760 ( 3532 PWs) bands (ev): -23.2616 -23.2616 -23.2385 -23.2385 -7.2722 -7.2722 -6.9818 -6.9818 -6.7787 -6.7787 -6.7197 -6.7197 -6.5524 -6.5524 -6.5426 -6.5426 -6.1379 -6.1379 -5.0981 -5.0981 1.0846 1.0846 1.5165 1.5165 2.9900 2.9900 4.0318 4.0318 4.3123 4.3123 4.7592 4.7592 4.9521 4.9521 5.1521 5.1521 5.3993 5.3993 6.7390 6.7390 9.4958 9.4958 10.3495 10.3495 10.5747 10.5747 11.4426 11.4426 k = 0.2356-0.2781 0.1848 ( 3536 PWs) bands (ev): -23.2610 -23.2610 -23.2390 -23.2390 -7.2890 -7.2890 -6.9853 -6.9853 -6.7760 -6.7760 -6.7190 -6.7190 -6.5523 -6.5523 -6.5417 -6.5417 -6.1203 -6.1203 -5.0922 -5.0922 1.0850 1.0850 1.5173 1.5173 2.9863 2.9863 4.0073 4.0073 4.3130 4.3130 4.7743 4.7743 4.9210 4.9210 5.1466 5.1466 5.4091 5.4091 6.7382 6.7382 9.4964 9.4964 10.3919 10.3919 10.6416 10.6416 11.4448 11.4448 k = 0.2469-0.2914 0.1936 ( 3534 PWs) bands (ev): -23.2604 -23.2604 -23.2396 -23.2396 -7.3050 -7.3050 -6.9894 -6.9894 -6.7732 -6.7732 -6.7182 -6.7182 -6.5523 -6.5523 -6.5405 -6.5405 -6.1036 -6.1036 -5.0852 -5.0852 1.0842 1.0842 1.5164 1.5164 2.9832 2.9832 3.9813 3.9813 4.3142 4.3142 4.7899 4.7899 4.8919 4.8919 5.1435 5.1435 5.4195 5.4195 6.7395 6.7395 9.4979 9.4979 10.4343 10.4343 10.7068 10.7068 11.4440 11.4440 k = 0.2581-0.3046 0.2024 ( 3534 PWs) bands (ev): -23.2599 -23.2599 -23.2402 -23.2402 -7.3202 -7.3202 -6.9940 -6.9940 -6.7703 -6.7703 -6.7175 -6.7175 -6.5525 -6.5525 -6.5392 -6.5392 -6.0879 -6.0879 -5.0771 -5.0771 1.0821 1.0821 1.5139 1.5139 2.9810 2.9810 3.9538 3.9538 4.3157 4.3157 4.8040 4.8040 4.8675 4.8675 5.1417 5.1417 5.4306 5.4306 6.7429 6.7429 9.5004 9.5004 10.4771 10.4771 10.7694 10.7694 11.4410 11.4410 k = 0.2693-0.3179 0.2113 ( 3542 PWs) bands (ev): -23.2593 -23.2593 -23.2408 -23.2408 -7.3346 -7.3346 -6.9992 -6.9992 -6.7673 -6.7673 -6.7167 -6.7167 -6.5527 -6.5527 -6.5379 -6.5379 -6.0732 -6.0732 -5.0681 -5.0681 1.0787 1.0787 1.5097 1.5097 2.9796 2.9796 3.9251 3.9251 4.3176 4.3176 4.8085 4.8085 4.8563 4.8563 5.1408 5.1408 5.4425 5.4425 6.7483 6.7483 9.5040 9.5040 10.5204 10.5204 10.8286 10.8286 11.4362 11.4362 k = 0.2805-0.3311 0.2201 ( 3546 PWs) bands (ev): -23.2587 -23.2587 -23.2413 -23.2413 -7.3482 -7.3482 -7.0049 -7.0049 -6.7642 -6.7642 -6.7160 -6.7160 -6.5530 -6.5530 -6.5364 -6.5364 -6.0594 -6.0594 -5.0581 -5.0581 1.0740 1.0740 1.5041 1.5041 2.9792 2.9792 3.8951 3.8951 4.3198 4.3198 4.7960 4.7960 4.8657 4.8657 5.1405 5.1405 5.4554 5.4554 6.7556 6.7556 9.5085 9.5085 10.5645 10.5645 10.8834 10.8834 11.4299 11.4299 k = 0.2917-0.3444 0.2289 ( 3548 PWs) bands (ev): -23.2581 -23.2581 -23.2419 -23.2419 -7.3610 -7.3610 -7.0111 -7.0111 -6.7610 -6.7610 -6.7153 -6.7153 -6.5533 -6.5533 -6.5349 -6.5349 -6.0466 -6.0466 -5.0475 -5.0475 1.0680 1.0680 1.4972 1.4972 2.9796 2.9796 3.8642 3.8642 4.3223 4.3223 4.7777 4.7777 4.8844 4.8844 5.1405 5.1405 5.4692 5.4692 6.7646 6.7646 9.5141 9.5141 10.6093 10.6093 10.9328 10.9328 11.4221 11.4221 k = 0.3030-0.3576 0.2377 ( 3542 PWs) bands (ev): -23.2575 -23.2575 -23.2424 -23.2424 -7.3729 -7.3729 -7.0178 -7.0178 -6.7578 -6.7578 -6.7147 -6.7147 -6.5536 -6.5536 -6.5334 -6.5334 -6.0346 -6.0346 -5.0361 -5.0361 1.0607 1.0607 1.4893 1.4893 2.9811 2.9811 3.8324 3.8324 4.3251 4.3251 4.7595 4.7595 4.9061 4.9061 5.1407 5.1407 5.4843 5.4843 6.7752 6.7752 9.5205 9.5205 10.6548 10.6548 10.9756 10.9756 11.4128 11.4128 k = 0.3142-0.3709 0.2465 ( 3544 PWs) bands (ev): -23.2570 -23.2570 -23.2430 -23.2430 -7.3839 -7.3839 -7.0248 -7.0248 -6.7545 -6.7545 -6.7140 -6.7140 -6.5539 -6.5539 -6.5319 -6.5319 -6.0235 -6.0235 -5.0242 -5.0242 1.0520 1.0520 1.4807 1.4807 2.9836 2.9836 3.7999 3.7999 4.3280 4.3280 4.7427 4.7427 4.9288 4.9288 5.1411 5.1411 5.5007 5.5007 6.7871 6.7871 9.5279 9.5279 10.7011 10.7011 11.0109 11.0109 11.4019 11.4019 k = 0.3254-0.3841 0.2553 ( 3542 PWs) bands (ev): -23.2564 -23.2564 -23.2435 -23.2435 -7.3941 -7.3941 -7.0322 -7.0322 -6.7511 -6.7511 -6.7135 -6.7135 -6.5542 -6.5542 -6.5303 -6.5303 -6.0131 -6.0131 -5.0120 -5.0120 1.0421 1.0421 1.4716 1.4716 2.9872 2.9872 3.7669 3.7669 4.3310 4.3310 4.7277 4.7277 4.9519 4.9519 5.1417 5.1417 5.5185 5.5185 6.8001 6.8001 9.5360 9.5360 10.7479 10.7479 11.0376 11.0376 11.3889 11.3889 k = 0.3366-0.3973 0.2641 ( 3546 PWs) bands (ev): -23.2559 -23.2559 -23.2440 -23.2440 -7.4035 -7.4035 -7.0399 -7.0399 -6.7478 -6.7478 -6.7129 -6.7129 -6.5546 -6.5546 -6.5288 -6.5288 -6.0035 -6.0035 -4.9995 -4.9995 1.0310 1.0310 1.4624 1.4624 2.9920 2.9920 3.7336 3.7336 4.3341 4.3341 4.7142 4.7142 4.9748 4.9748 5.1424 5.1424 5.5379 5.5379 6.8141 6.8141 9.5448 9.5448 10.7952 10.7952 11.0553 11.0553 11.3735 11.3735 k = 0.3479-0.4106 0.2729 ( 3550 PWs) bands (ev): -23.2554 -23.2554 -23.2445 -23.2445 -7.4120 -7.4120 -7.0477 -7.0477 -6.7445 -6.7445 -6.7125 -6.7125 -6.5549 -6.5549 -6.5273 -6.5273 -5.9947 -5.9947 -4.9870 -4.9870 1.0189 1.0189 1.4533 1.4533 2.9978 2.9978 3.7001 3.7001 4.3371 4.3371 4.7024 4.7024 4.9969 4.9969 5.1433 5.1433 5.5589 5.5589 6.8287 6.8287 9.5542 9.5542 10.8428 10.8428 11.0636 11.0636 11.3552 11.3552 k = 0.3591-0.4238 0.2817 ( 3554 PWs) bands (ev): -23.2550 -23.2550 -23.2450 -23.2450 -7.4197 -7.4197 -7.0556 -7.0556 -6.7413 -6.7413 -6.7121 -6.7121 -6.5552 -6.5552 -6.5259 -6.5259 -5.9866 -5.9866 -4.9745 -4.9745 1.0060 1.0060 1.4444 1.4444 3.0047 3.0047 3.6666 3.6666 4.3401 4.3401 4.6919 4.6919 5.0176 5.0176 5.1444 5.1444 5.5814 5.5814 6.8438 6.8438 9.5640 9.5640 10.8902 10.8902 11.0633 11.0633 11.3338 11.3338 k = 0.3703-0.4371 0.2905 ( 3550 PWs) bands (ev): -23.2545 -23.2545 -23.2454 -23.2454 -7.4266 -7.4266 -7.0634 -7.0634 -6.7382 -6.7382 -6.7117 -6.7117 -6.5555 -6.5555 -6.5245 -6.5245 -5.9791 -5.9791 -4.9623 -4.9623 0.9924 0.9924 1.4361 1.4361 3.0128 3.0128 3.6333 3.6333 4.3429 4.3429 4.6827 4.6827 5.0367 5.0367 5.1458 5.1458 5.6053 5.6053 6.8590 6.8590 9.5741 9.5741 10.9373 10.9373 11.0553 11.0553 11.3092 11.3092 k = 0.3815-0.4503 0.2993 ( 3562 PWs) bands (ev): -23.2541 -23.2541 -23.2458 -23.2458 -7.4327 -7.4327 -7.0711 -7.0711 -6.7352 -6.7352 -6.7114 -6.7114 -6.5558 -6.5558 -6.5231 -6.5231 -5.9723 -5.9723 -4.9505 -4.9505 0.9785 0.9785 1.4284 1.4284 3.0220 3.0220 3.6005 3.6005 4.3456 4.3456 4.6747 4.6747 5.0536 5.0536 5.1476 5.1476 5.6301 5.6301 6.8741 6.8741 9.5842 9.5842 10.9833 10.9833 11.0415 11.0415 11.2815 11.2815 k = 0.3927-0.4636 0.3081 ( 3560 PWs) bands (ev): -23.2537 -23.2537 -23.2462 -23.2462 -7.4381 -7.4381 -7.0785 -7.0785 -6.7323 -6.7323 -6.7112 -6.7112 -6.5560 -6.5560 -6.5219 -6.5219 -5.9662 -5.9662 -4.9392 -4.9392 0.9646 0.9646 1.4214 1.4214 3.0322 3.0322 3.5682 3.5682 4.3481 4.3481 4.6678 4.6678 5.0681 5.0681 5.1500 5.1500 5.6557 5.6557 6.8889 6.8889 9.5943 9.5943 11.0166 11.0166 11.0348 11.0348 11.2514 11.2514 k = 0.3927-0.4636 0.3081 ( 3560 PWs) bands (ev): -23.2537 -23.2537 -23.2462 -23.2462 -7.4381 -7.4381 -7.0785 -7.0785 -6.7323 -6.7323 -6.7112 -6.7112 -6.5560 -6.5560 -6.5219 -6.5219 -5.9662 -5.9662 -4.9392 -4.9392 0.9646 0.9646 1.4214 1.4214 3.0322 3.0322 3.5682 3.5682 4.3481 4.3481 4.6678 4.6678 5.0681 5.0681 5.1500 5.1500 5.6557 5.6557 6.8889 6.8889 9.5943 9.5943 11.0166 11.0166 11.0348 11.0348 11.2514 11.2514 k = 0.3976-0.4463 0.3030 ( 3563 PWs) bands (ev): -23.2540 -23.2540 -23.2459 -23.2459 -7.4346 -7.4346 -7.0742 -7.0742 -6.7341 -6.7341 -6.7114 -6.7114 -6.5560 -6.5560 -6.5226 -6.5226 -5.9699 -5.9699 -4.9459 -4.9459 0.9727 0.9727 1.4254 1.4254 3.0263 3.0263 3.5872 3.5872 4.3468 4.3468 4.6717 4.6717 5.0601 5.0601 5.1486 5.1486 5.6407 5.6407 6.8804 6.8804 9.5884 9.5884 10.9893 10.9893 11.0465 11.0465 11.2691 11.2691 k = 0.4025-0.4290 0.2979 ( 3562 PWs) bands (ev): -23.2543 -23.2543 -23.2456 -23.2456 -7.4301 -7.4301 -7.0695 -7.0695 -6.7363 -6.7363 -6.7118 -6.7118 -6.5561 -6.5561 -6.5234 -6.5234 -5.9741 -5.9741 -4.9531 -4.9531 0.9810 0.9810 1.4297 1.4297 3.0209 3.0209 3.6071 3.6071 4.3456 4.3456 4.6761 4.6761 5.0515 5.0515 5.1475 5.1475 5.6257 5.6257 6.8719 6.8719 9.5824 9.5824 10.9513 10.9513 11.0654 11.0654 11.2865 11.2865 k = 0.4074-0.4117 0.2928 ( 3558 PWs) bands (ev): -23.2547 -23.2547 -23.2452 -23.2452 -7.4244 -7.4244 -7.0647 -7.0647 -6.7388 -6.7388 -6.7125 -6.7125 -6.5565 -6.5565 -6.5243 -6.5243 -5.9787 -5.9787 -4.9608 -4.9608 0.9893 0.9893 1.4343 1.4343 3.0162 3.0162 3.6277 3.6277 4.3447 4.3447 4.6809 4.6809 5.0425 5.0425 5.1466 5.1466 5.6105 5.6105 6.8633 6.8633 9.5762 9.5762 10.9118 10.9118 11.0825 11.0825 11.3032 11.3032 k = 0.4122-0.3944 0.2877 ( 3558 PWs) bands (ev): -23.2551 -23.2551 -23.2448 -23.2448 -7.4177 -7.4177 -7.0598 -7.0598 -6.7416 -6.7416 -6.7135 -6.7135 -6.5569 -6.5569 -6.5252 -6.5252 -5.9836 -5.9836 -4.9690 -4.9690 0.9977 0.9977 1.4391 1.4391 3.0120 3.0120 3.6489 3.6489 4.3439 4.3439 4.6862 4.6862 5.0331 5.0331 5.1458 5.1458 5.5950 5.5950 6.8549 6.8549 9.5700 9.5700 10.8712 10.8712 11.0975 11.0975 11.3189 11.3189 k = 0.4171-0.3771 0.2826 ( 3549 PWs) bands (ev): -23.2555 -23.2555 -23.2444 -23.2444 -7.4101 -7.4101 -7.0549 -7.0549 -6.7447 -6.7447 -6.7146 -6.7146 -6.5575 -6.5575 -6.5262 -6.5262 -5.9888 -5.9888 -4.9775 -4.9775 1.0060 1.0060 1.4442 1.4442 3.0084 3.0084 3.6703 3.6703 4.3432 4.3432 4.6921 4.6921 5.0235 5.0235 5.1452 5.1452 5.5793 5.5793 6.8466 6.8466 9.5638 9.5638 10.8298 10.8298 11.1106 11.1106 11.3332 11.3332 k = 0.4220-0.3599 0.2775 ( 3543 PWs) bands (ev): -23.2559 -23.2559 -23.2440 -23.2440 -7.4015 -7.4015 -7.0502 -7.0502 -6.7481 -6.7481 -6.7161 -6.7161 -6.5582 -6.5582 -6.5273 -6.5273 -5.9941 -5.9941 -4.9863 -4.9863 1.0140 1.0140 1.4495 1.4495 3.0054 3.0054 3.6917 3.6917 4.3427 4.3427 4.6986 4.6986 5.0138 5.0138 5.1448 5.1448 5.5632 5.5632 6.8385 6.8385 9.5576 9.5576 10.7879 10.7879 11.1218 11.1218 11.3458 11.3458 k = 0.4269-0.3426 0.2724 ( 3549 PWs) bands (ev): -23.2564 -23.2564 -23.2436 -23.2436 -7.3920 -7.3920 -7.0457 -7.0457 -6.7517 -6.7517 -6.7178 -6.7178 -6.5589 -6.5589 -6.5284 -6.5284 -5.9994 -5.9994 -4.9952 -4.9952 1.0219 1.0219 1.4550 1.4550 3.0028 3.0028 3.7129 3.7129 4.3424 4.3424 4.7059 4.7059 5.0041 5.0041 5.1446 5.1446 5.5468 5.5468 6.8308 6.8308 9.5516 9.5516 10.7459 10.7459 11.1314 11.1314 11.3563 11.3563 k = 0.4317-0.3253 0.2674 ( 3551 PWs) bands (ev): -23.2568 -23.2568 -23.2432 -23.2432 -7.3817 -7.3817 -7.0416 -7.0416 -6.7555 -6.7555 -6.7198 -6.7198 -6.5596 -6.5596 -6.5296 -6.5296 -6.0047 -6.0047 -5.0043 -5.0043 1.0295 1.0295 1.4607 1.4607 3.0007 3.0007 3.7336 3.7336 4.3422 4.3422 4.7139 4.7139 4.9946 4.9946 5.1445 5.1445 5.5299 5.5299 6.8234 6.8234 9.5458 9.5458 10.7041 10.7041 11.1396 11.1396 11.3644 11.3644 k = 0.4366-0.3080 0.2623 ( 3550 PWs) bands (ev): -23.2572 -23.2572 -23.2428 -23.2428 -7.3706 -7.3706 -7.0381 -7.0381 -6.7593 -6.7593 -6.7220 -6.7220 -6.5602 -6.5602 -6.5308 -6.5308 -6.0098 -6.0098 -5.0133 -5.0133 1.0367 1.0367 1.4664 1.4664 2.9991 2.9991 3.7537 3.7537 4.3422 4.3422 4.7226 4.7226 4.9852 4.9852 5.1446 5.1446 5.5126 5.5126 6.8165 6.8165 9.5402 9.5402 10.6631 10.6631 11.1466 11.1466 11.3697 11.3697 k = 0.4415-0.2907 0.2572 ( 3552 PWs) bands (ev): -23.2576 -23.2576 -23.2424 -23.2424 -7.3589 -7.3589 -7.0353 -7.0353 -6.7631 -6.7631 -6.7245 -6.7245 -6.5607 -6.5607 -6.5321 -6.5321 -6.0147 -6.0147 -5.0222 -5.0222 1.0434 1.0434 1.4722 1.4722 2.9978 2.9978 3.7729 3.7729 4.3422 4.3422 4.7322 4.7322 4.9761 4.9761 5.1450 5.1450 5.4950 5.4950 6.8100 6.8100 9.5348 9.5348 10.6232 10.6232 11.1526 11.1526 11.3723 11.3723 k = 0.4464-0.2734 0.2521 ( 3562 PWs) bands (ev): -23.2580 -23.2580 -23.2421 -23.2421 -7.3467 -7.3467 -7.0334 -7.0334 -6.7667 -6.7667 -6.7271 -6.7271 -6.5612 -6.5612 -6.5334 -6.5334 -6.0194 -6.0194 -5.0309 -5.0309 1.0498 1.0498 1.4779 1.4779 2.9969 2.9969 3.7909 3.7909 4.3424 4.3424 4.7425 4.7425 4.9674 4.9674 5.1456 5.1456 5.4769 5.4769 6.8041 6.8041 9.5297 9.5297 10.5848 10.5848 11.1578 11.1578 11.3722 11.3722 k = 0.4512-0.2561 0.2470 ( 3552 PWs) bands (ev): -23.2583 -23.2583 -23.2417 -23.2417 -7.3340 -7.3340 -7.0324 -7.0324 -6.7700 -6.7700 -6.7299 -6.7299 -6.5614 -6.5614 -6.5348 -6.5348 -6.0238 -6.0238 -5.0392 -5.0392 1.0556 1.0556 1.4835 1.4835 2.9963 2.9963 3.8077 3.8077 4.3426 4.3426 4.7536 4.7536 4.9591 4.9591 5.1466 5.1466 5.4585 5.4585 6.7987 6.7987 9.5250 9.5250 10.5485 10.5485 11.1623 11.1623 11.3697 11.3697 k = 0.4561-0.2389 0.2419 ( 3556 PWs) bands (ev): -23.2586 -23.2586 -23.2414 -23.2414 -7.3211 -7.3211 -7.0326 -7.0326 -6.7729 -6.7729 -6.7329 -6.7329 -6.5616 -6.5616 -6.5362 -6.5362 -6.0278 -6.0278 -5.0471 -5.0471 1.0610 1.0610 1.4889 1.4889 2.9959 2.9959 3.8231 3.8231 4.3429 4.3429 4.7653 4.7653 4.9513 4.9513 5.1479 5.1479 5.4399 5.4399 6.7939 6.7939 9.5207 9.5207 10.5145 10.5145 11.1662 11.1662 11.3652 11.3652 k = 0.4610-0.2216 0.2368 ( 3556 PWs) bands (ev): -23.2589 -23.2589 -23.2412 -23.2412 -7.3080 -7.3080 -7.0338 -7.0338 -6.7751 -6.7751 -6.7359 -6.7359 -6.5615 -6.5615 -6.5377 -6.5377 -6.0315 -6.0315 -5.0545 -5.0545 1.0657 1.0657 1.4941 1.4941 2.9957 2.9957 3.8369 3.8369 4.3432 4.3432 4.7775 4.7775 4.9440 4.9440 5.1496 5.1496 5.4212 5.4212 6.7897 6.7897 9.5167 9.5167 10.4832 10.4832 11.1695 11.1695 11.3594 11.3594 k = 0.4659-0.2043 0.2317 ( 3555 PWs) bands (ev): -23.2592 -23.2592 -23.2409 -23.2409 -7.2951 -7.2951 -7.0362 -7.0362 -6.7768 -6.7768 -6.7391 -6.7391 -6.5614 -6.5614 -6.5391 -6.5391 -6.0347 -6.0347 -5.0612 -5.0612 1.0700 1.0700 1.4988 1.4988 2.9956 2.9956 3.8492 3.8492 4.3435 4.3435 4.7900 4.7900 4.9371 4.9371 5.1517 5.1517 5.4028 5.4028 6.7860 6.7860 9.5132 9.5132 10.4549 10.4549 11.1723 11.1723 11.3526 11.3526 k = 0.4707-0.1870 0.2266 ( 3551 PWs) bands (ev): -23.2594 -23.2594 -23.2407 -23.2407 -7.2825 -7.2825 -7.0395 -7.0395 -6.7777 -6.7777 -6.7423 -6.7423 -6.5610 -6.5610 -6.5405 -6.5405 -6.0376 -6.0376 -5.0673 -5.0673 1.0737 1.0737 1.5031 1.5031 2.9957 2.9957 3.8597 3.8597 4.3438 4.3438 4.8024 4.8024 4.9308 4.9308 5.1543 5.1543 5.3849 5.3849 6.7829 6.7829 9.5101 9.5101 10.4298 10.4298 11.1748 11.1748 11.3456 11.3456 k = 0.4756-0.1697 0.2216 ( 3553 PWs) bands (ev): -23.2596 -23.2596 -23.2405 -23.2405 -7.2706 -7.2706 -7.0436 -7.0436 -6.7780 -6.7780 -6.7455 -6.7455 -6.5606 -6.5606 -6.5419 -6.5419 -6.0400 -6.0400 -5.0726 -5.0726 1.0768 1.0768 1.5069 1.5069 2.9958 2.9958 3.8687 3.8687 4.3441 4.3441 4.8145 4.8145 4.9249 4.9249 5.1573 5.1573 5.3679 5.3679 6.7803 6.7803 9.5075 9.5075 10.4083 10.4083 11.1768 11.1768 11.3388 11.3388 k = 0.4805-0.1524 0.2165 ( 3552 PWs) bands (ev): -23.2598 -23.2598 -23.2404 -23.2404 -7.2598 -7.2598 -7.0481 -7.0481 -6.7777 -6.7777 -6.7486 -6.7486 -6.5601 -6.5601 -6.5431 -6.5431 -6.0419 -6.0419 -5.0770 -5.0770 1.0794 1.0794 1.5102 1.5102 2.9960 2.9960 3.8759 3.8759 4.3444 4.3444 4.8257 4.8257 4.9195 4.9195 5.1606 5.1606 5.3524 5.3524 6.7782 6.7782 9.5053 9.5053 10.3904 10.3904 11.1785 11.1785 11.3326 11.3326 k = 0.4854-0.1352 0.2114 ( 3553 PWs) bands (ev): -23.2599 -23.2599 -23.2402 -23.2402 -7.2505 -7.2505 -7.0524 -7.0524 -6.7769 -6.7769 -6.7515 -6.7515 -6.5596 -6.5596 -6.5442 -6.5442 -6.0435 -6.0435 -5.0805 -5.0805 1.0814 1.0814 1.5127 1.5127 2.9962 2.9962 3.8815 3.8815 4.3446 4.3446 4.8357 4.8357 4.9147 4.9147 5.1639 5.1639 5.3390 5.3390 6.7766 6.7766 9.5036 9.5036 10.3763 10.3763 11.1798 11.1798 11.3275 11.3275 k = 0.4902-0.1179 0.2063 ( 3559 PWs) bands (ev): -23.2600 -23.2600 -23.2402 -23.2402 -7.2433 -7.2433 -7.0561 -7.0561 -6.7760 -6.7760 -6.7539 -6.7539 -6.5591 -6.5591 -6.5451 -6.5451 -6.0446 -6.0446 -5.0830 -5.0830 1.0828 1.0828 1.5146 1.5146 2.9963 2.9963 3.8855 3.8855 4.3447 4.3447 4.8437 4.8437 4.9106 4.9106 5.1669 5.1669 5.3286 5.3286 6.7755 6.7755 9.5024 9.5024 10.3661 10.3661 11.1807 11.1807 11.3236 11.3236 k = 0.4951-0.1006 0.2012 ( 3553 PWs) bands (ev): -23.2600 -23.2600 -23.2401 -23.2401 -7.2387 -7.2387 -7.0586 -7.0586 -6.7751 -6.7751 -6.7556 -6.7556 -6.5588 -6.5588 -6.5457 -6.5457 -6.0452 -6.0452 -5.0845 -5.0845 1.0836 1.0836 1.5157 1.5157 2.9964 2.9964 3.8879 3.8879 4.3448 4.3448 4.8491 4.8491 4.9078 4.9078 5.1690 5.1690 5.3218 5.3218 6.7749 6.7749 9.5016 9.5016 10.3600 10.3600 11.1812 11.1812 11.3212 11.3212 k = 0.5000-0.0833 0.1961 ( 3558 PWs) bands (ev): -23.2601 -23.2601 -23.2401 -23.2401 -7.2372 -7.2372 -7.0595 -7.0595 -6.7748 -6.7748 -6.7563 -6.7563 -6.5587 -6.5587 -6.5459 -6.5459 -6.0455 -6.0455 -5.0851 -5.0851 1.0839 1.0839 1.5161 1.5161 2.9964 2.9964 3.8887 3.8887 4.3449 4.3449 4.8510 4.8510 4.9068 4.9068 5.1697 5.1697 5.3195 5.3195 6.7746 6.7746 9.5014 9.5014 10.3580 10.3580 11.1814 11.1814 11.3203 11.3203 k = 0.5000-0.0833 0.1961 ( 3558 PWs) bands (ev): -23.2601 -23.2601 -23.2401 -23.2401 -7.2372 -7.2372 -7.0595 -7.0595 -6.7748 -6.7748 -6.7563 -6.7563 -6.5587 -6.5587 -6.5459 -6.5459 -6.0455 -6.0455 -5.0851 -5.0851 1.0839 1.0839 1.5161 1.5161 2.9964 2.9964 3.8887 3.8887 4.3449 4.3449 4.8510 4.8510 4.9068 4.9068 5.1697 5.1697 5.3195 5.3195 6.7746 6.7746 9.5014 9.5014 10.3580 10.3580 11.1814 11.1814 11.3203 11.3203 k = 0.4943-0.0766 0.2134 ( 3556 PWs) bands (ev): -23.2600 -23.2600 -23.2401 -23.2401 -7.2366 -7.2366 -7.0594 -7.0594 -6.7749 -6.7749 -6.7562 -6.7562 -6.5592 -6.5592 -6.5463 -6.5463 -6.0449 -6.0449 -5.0853 -5.0853 1.0850 1.0850 1.5171 1.5171 2.9972 2.9972 3.8837 3.8837 4.3485 4.3485 4.8204 4.8204 4.9217 4.9217 5.1635 5.1635 5.3403 5.3403 6.7739 6.7739 9.4918 9.4918 10.3599 10.3599 11.1832 11.1832 11.3223 11.3223 k = 0.4886-0.0699 0.2308 ( 3562 PWs) bands (ev): -23.2599 -23.2599 -23.2399 -23.2399 -7.2348 -7.2348 -7.0591 -7.0591 -6.7753 -6.7753 -6.7559 -6.7559 -6.5608 -6.5608 -6.5475 -6.5475 -6.0433 -6.0433 -5.0862 -5.0862 1.0882 1.0882 1.5201 1.5201 2.9994 2.9994 3.8694 3.8694 4.3584 4.3584 4.7585 4.7585 4.9402 4.9402 5.1547 5.1547 5.3897 5.3897 6.7716 6.7716 9.4635 9.4635 10.3656 10.3656 11.1883 11.1883 11.3279 11.3279 k = 0.4830-0.0632 0.2481 ( 3556 PWs) bands (ev): -23.2596 -23.2596 -23.2397 -23.2397 -7.2320 -7.2320 -7.0586 -7.0586 -6.7761 -6.7761 -6.7554 -6.7554 -6.5635 -6.5635 -6.5495 -6.5495 -6.0407 -6.0407 -5.0875 -5.0875 1.0935 1.0935 1.5250 1.5250 3.0032 3.0032 3.8473 3.8473 4.3716 4.3716 4.6825 4.6825 4.9534 4.9534 5.1529 5.1529 5.4514 5.4514 6.7678 6.7678 9.4187 9.4187 10.3745 10.3745 11.1968 11.1968 11.3360 11.3360 k = 0.4773-0.0565 0.2654 ( 3558 PWs) bands (ev): -23.2593 -23.2593 -23.2393 -23.2393 -7.2280 -7.2280 -7.0580 -7.0580 -6.7771 -6.7771 -6.7548 -6.7548 -6.5671 -6.5671 -6.5523 -6.5523 -6.0369 -6.0369 -5.0894 -5.0894 1.1009 1.1009 1.5321 1.5321 3.0083 3.0083 3.8191 3.8191 4.3809 4.3809 4.6033 4.6033 4.9628 4.9628 5.1592 5.1592 5.5169 5.5169 6.7624 6.7624 9.3598 9.3598 10.3858 10.3858 11.2085 11.2085 11.3457 11.3457 k = 0.4716-0.0498 0.2828 ( 3556 PWs) bands (ev): -23.2588 -23.2588 -23.2389 -23.2389 -7.2229 -7.2229 -7.0572 -7.0572 -6.7784 -6.7784 -6.7540 -6.7540 -6.5716 -6.5716 -6.5558 -6.5558 -6.0321 -6.0321 -5.0919 -5.0919 1.1104 1.1104 1.5413 1.5413 3.0147 3.0147 3.7866 3.7866 4.3672 4.3672 4.5418 4.5418 4.9702 4.9702 5.1727 5.1727 5.5821 5.5821 6.7555 6.7555 9.2898 9.2898 10.3989 10.3989 11.2229 11.2229 11.3557 11.3557 k = 0.4659-0.0431 0.3001 ( 3550 PWs) bands (ev): -23.2583 -23.2583 -23.2383 -23.2383 -7.2168 -7.2168 -7.0562 -7.0562 -6.7800 -6.7800 -6.7531 -6.7531 -6.5769 -6.5769 -6.5600 -6.5600 -6.0262 -6.0262 -5.0949 -5.0949 1.1219 1.1219 1.5526 1.5526 3.0223 3.0223 3.7511 3.7511 4.3054 4.3054 4.5242 4.5242 4.9769 4.9769 5.1917 5.1917 5.6447 5.6447 6.7470 6.7470 9.2115 9.2115 10.4133 10.4133 11.2395 11.2395 11.3654 11.3654 k = 0.4602-0.0363 0.3175 ( 3554 PWs) bands (ev): -23.2576 -23.2576 -23.2377 -23.2377 -7.2097 -7.2097 -7.0550 -7.0550 -6.7821 -6.7821 -6.7522 -6.7522 -6.5830 -6.5830 -6.5650 -6.5650 -6.0192 -6.0192 -5.0984 -5.0984 1.1354 1.1354 1.5663 1.5663 3.0308 3.0308 3.7137 3.7137 4.2100 4.2100 4.5364 4.5364 4.9833 4.9833 5.2155 5.2155 5.7035 5.7035 6.7370 6.7370 9.1276 9.1276 10.4285 10.4285 11.2579 11.2579 11.3742 11.3742 k = 0.4545-0.0296 0.3348 ( 3554 PWs) bands (ev): -23.2569 -23.2569 -23.2370 -23.2370 -7.2017 -7.2017 -7.0538 -7.0538 -6.7845 -6.7845 -6.7512 -6.7512 -6.5897 -6.5897 -6.5704 -6.5704 -6.0110 -6.0110 -5.1025 -5.1025 1.1507 1.1507 1.5823 1.5823 3.0400 3.0400 3.6753 3.6753 4.1015 4.1015 4.5586 4.5586 4.9898 4.9898 5.2432 5.2432 5.7574 5.7574 6.7254 6.7254 9.0402 9.0402 10.4440 10.4440 11.2771 11.2771 11.3821 11.3821 k = 0.4489-0.0229 0.3521 ( 3556 PWs) bands (ev): -23.2561 -23.2561 -23.2363 -23.2363 -7.1928 -7.1928 -7.0524 -7.0524 -6.7873 -6.7873 -6.7502 -6.7502 -6.5969 -6.5969 -6.5764 -6.5764 -6.0018 -6.0018 -5.1071 -5.1071 1.1679 1.1679 1.6009 1.6009 3.0493 3.0493 3.6366 3.6366 3.9873 3.9873 4.5837 4.5837 4.9963 4.9963 5.2745 5.2745 5.8061 5.8061 6.7122 6.7122 8.9514 8.9514 10.4593 10.4593 11.2965 11.2965 11.3891 11.3891 k = 0.4432-0.0162 0.3695 ( 3552 PWs) bands (ev): -23.2552 -23.2552 -23.2354 -23.2354 -7.1832 -7.1832 -7.0509 -7.0509 -6.7907 -6.7907 -6.7492 -6.7492 -6.6046 -6.6046 -6.5827 -6.5827 -5.9913 -5.9913 -5.1122 -5.1122 1.1870 1.1870 1.6220 1.6220 3.0581 3.0581 3.5984 3.5984 3.8706 3.8706 4.6092 4.6092 5.0024 5.0024 5.3090 5.3090 5.8491 5.8491 6.6974 6.6974 8.8629 8.8629 10.4740 10.4740 11.3150 11.3150 11.3954 11.3954 k = 0.4375-0.0095 0.3868 ( 3554 PWs) bands (ev): -23.2543 -23.2543 -23.2344 -23.2344 -7.1730 -7.1730 -7.0494 -7.0494 -6.7947 -6.7947 -6.7482 -6.7482 -6.6126 -6.6126 -6.5892 -6.5892 -5.9798 -5.9798 -5.1177 -5.1177 1.2077 1.2077 1.6459 1.6459 3.0652 3.0652 3.5615 3.5615 3.7534 3.7534 4.6340 4.6340 5.0077 5.0077 5.3464 5.3464 5.8862 5.8862 6.6811 6.6811 8.7763 8.7763 10.4873 10.4873 11.3318 11.3318 11.4015 11.4015 k = 0.4318-0.0028 0.4041 ( 3558 PWs) bands (ev): -23.2533 -23.2533 -23.2334 -23.2334 -7.1622 -7.1622 -7.0479 -7.0479 -6.7992 -6.7992 -6.7474 -6.7474 -6.6209 -6.6209 -6.5957 -6.5957 -5.9671 -5.9671 -5.1238 -5.1238 1.2301 1.2301 1.6724 1.6724 3.0688 3.0688 3.5263 3.5263 3.6382 3.6382 4.6576 4.6576 5.0115 5.0115 5.3866 5.3866 5.9173 5.9173 6.6630 6.6630 8.6929 8.6929 10.4988 10.4988 11.3458 11.3458 11.4078 11.4078 k = 0.4261 0.0039 0.4215 ( 3556 PWs) bands (ev): -23.2522 -23.2522 -23.2324 -23.2324 -7.1510 -7.1510 -7.0463 -7.0463 -6.8044 -6.8044 -6.7468 -6.7468 -6.6292 -6.6292 -6.6022 -6.6022 -5.9532 -5.9532 -5.1303 -5.1303 1.2542 1.2542 1.7019 1.7019 3.0656 3.0656 3.4909 3.4909 3.5310 3.5310 4.6798 4.6798 5.0131 5.0131 5.4292 5.4292 5.9423 5.9423 6.6434 6.6434 8.6138 8.6138 10.5075 10.5075 11.3565 11.3565 11.4148 11.4148 k = 0.4205 0.0106 0.4388 ( 3554 PWs) bands (ev): -23.2510 -23.2510 -23.2312 -23.2312 -7.1395 -7.1395 -7.0448 -7.0448 -6.8101 -6.8101 -6.7464 -6.7464 -6.6374 -6.6374 -6.6084 -6.6084 -5.9381 -5.9381 -5.1372 -5.1372 1.2799 1.2799 1.7341 1.7341 3.0503 3.0503 3.4167 3.4167 3.4765 3.4765 4.7004 4.7004 5.0117 5.0117 5.4741 5.4741 5.9614 5.9614 6.6220 6.6220 8.5402 8.5402 10.5128 10.5128 11.3632 11.3632 11.4232 11.4232 k = 0.4148 0.0173 0.4561 ( 3554 PWs) bands (ev): -23.2498 -23.2498 -23.2301 -23.2301 -7.1280 -7.1280 -7.0434 -7.0434 -6.8165 -6.8165 -6.7464 -6.7464 -6.6454 -6.6454 -6.6142 -6.6142 -5.9219 -5.9219 -5.1446 -5.1446 1.3072 1.3072 1.7693 1.7693 3.0151 3.0151 3.3307 3.3307 3.4561 3.4561 4.7194 4.7194 5.0064 5.0064 5.5209 5.5209 5.9747 5.9747 6.5989 6.5989 8.4731 8.4731 10.5139 10.5139 11.3656 11.3656 11.4335 11.4335 k = 0.4091 0.0240 0.4735 ( 3552 PWs) bands (ev): -23.2485 -23.2485 -23.2288 -23.2288 -7.1165 -7.1165 -7.0421 -7.0421 -6.8234 -6.8234 -6.7470 -6.7470 -6.6530 -6.6530 -6.6195 -6.6195 -5.9045 -5.9045 -5.1523 -5.1523 1.3360 1.3360 1.8072 1.8072 2.9536 2.9536 3.2635 3.2635 3.4460 3.4460 4.7371 4.7371 4.9965 4.9965 5.5692 5.5692 5.9825 5.9825 6.5741 6.5741 8.4131 8.4131 10.5101 10.5101 11.3636 11.3636 11.4464 11.4464 k = 0.4034 0.0307 0.4908 ( 3550 PWs) bands (ev): -23.2472 -23.2472 -23.2275 -23.2275 -7.1053 -7.1053 -7.0409 -7.0409 -6.8306 -6.8306 -6.7482 -6.7482 -6.6600 -6.6600 -6.6242 -6.6242 -5.8860 -5.8860 -5.1603 -5.1603 1.3663 1.3663 1.8477 1.8477 2.8685 2.8685 3.2139 3.2139 3.4456 3.4456 4.7535 4.7535 4.9812 4.9812 5.6183 5.6183 5.9852 5.9852 6.5476 6.5476 8.3610 8.3610 10.5010 10.5010 11.3572 11.3572 11.4626 11.4626 k = 0.3977 0.0374 0.5081 ( 3548 PWs) bands (ev): -23.2458 -23.2458 -23.2262 -23.2262 -7.0948 -7.0948 -7.0398 -7.0398 -6.8379 -6.8379 -6.7503 -6.7503 -6.6661 -6.6661 -6.6282 -6.6282 -5.8664 -5.8664 -5.1687 -5.1687 1.3982 1.3982 1.8905 1.8905 2.7690 2.7690 3.1742 3.1742 3.4539 3.4539 4.7687 4.7687 4.9601 4.9601 5.6675 5.6675 5.9835 5.9835 6.5193 6.5193 8.3173 8.3173 10.4864 10.4864 11.3468 11.3468 11.4824 11.4824 k = 0.3920 0.0441 0.5255 ( 3554 PWs) bands (ev): -23.2445 -23.2445 -23.2249 -23.2249 -7.0852 -7.0852 -7.0388 -7.0388 -6.8452 -6.8452 -6.7533 -6.7533 -6.6712 -6.6712 -6.6317 -6.6317 -5.8458 -5.8458 -5.1773 -5.1773 1.4317 1.4317 1.9352 1.9352 2.6631 2.6631 3.1387 3.1387 3.4696 3.4696 4.7828 4.7828 4.9326 4.9326 5.7153 5.7153 5.9787 5.9787 6.4894 6.4894 8.2824 8.2824 10.4662 10.4662 11.3328 11.3328 11.5061 11.5061 k = 0.3864 0.0508 0.5428 ( 3558 PWs) bands (ev): -23.2431 -23.2431 -23.2235 -23.2235 -7.0771 -7.0771 -7.0378 -7.0378 -6.8521 -6.8521 -6.7572 -6.7572 -6.6750 -6.6750 -6.6346 -6.6346 -5.8241 -5.8241 -5.1862 -5.1862 1.4666 1.4666 1.9804 1.9804 2.5564 2.5564 3.1049 3.1049 3.4910 3.4910 4.7959 4.7959 4.8988 4.8988 5.7590 5.7590 5.9729 5.9729 6.4580 6.4580 8.2564 8.2564 10.4406 10.4406 11.3158 11.3158 11.5337 11.5337 k = 0.3807 0.0575 0.5601 ( 3558 PWs) bands (ev): -23.2417 -23.2417 -23.2222 -23.2222 -7.0709 -7.0709 -7.0366 -7.0366 -6.8582 -6.8582 -6.7619 -6.7619 -6.6778 -6.6778 -6.6370 -6.6370 -5.8014 -5.8014 -5.1952 -5.1952 1.5030 1.5030 2.0235 2.0235 2.4541 2.4541 3.0721 3.0721 3.5169 3.5169 4.8077 4.8077 4.8589 4.8589 5.7934 5.7934 5.9710 5.9710 6.4254 6.4254 8.2393 8.2393 10.4101 10.4101 11.2965 11.2965 11.5650 11.5650 k = 0.3750 0.0643 0.5775 ( 3560 PWs) bands (ev): -23.2403 -23.2403 -23.2208 -23.2208 -7.0671 -7.0671 -7.0352 -7.0352 -6.8632 -6.8632 -6.7672 -6.7672 -6.6794 -6.6794 -6.6388 -6.6388 -5.7779 -5.7779 -5.2044 -5.2044 1.5408 1.5408 2.0567 2.0567 2.3652 2.3652 3.0401 3.0401 3.5464 3.5464 4.8056 4.8056 4.8257 4.8257 5.8105 5.8105 5.9800 5.9800 6.3923 6.3923 8.2310 8.2310 10.3752 10.3752 11.2755 11.2755 11.5997 11.5997 k = 0.3693 0.0710 0.5948 ( 3570 PWs) bands (ev): -23.2388 -23.2388 -23.2195 -23.2195 -7.0660 -7.0660 -7.0336 -7.0336 -6.8668 -6.8668 -6.7728 -6.7728 -6.6802 -6.6802 -6.6402 -6.6402 -5.7536 -5.7536 -5.2136 -5.2136 1.5797 1.5797 2.0598 2.0598 2.3111 2.3111 3.0091 3.0091 3.5786 3.5786 4.7562 4.7562 4.8331 4.8331 5.8062 5.8062 6.0027 6.0027 6.3602 6.3602 8.2311 8.2311 10.3366 10.3366 11.2535 11.2535 11.6373 11.6373 k = 0.3636 0.0777 0.6121 ( 3574 PWs) bands (ev): -23.2374 -23.2374 -23.2181 -23.2181 -7.0672 -7.0672 -7.0323 -7.0323 -6.8687 -6.8687 -6.7785 -6.7785 -6.6803 -6.6803 -6.6413 -6.6413 -5.7286 -5.7286 -5.2229 -5.2229 1.6192 1.6192 2.0130 2.0130 2.3126 2.3126 2.9793 2.9793 3.6130 3.6130 4.6978 4.6978 4.8433 4.8433 5.7851 5.7851 6.0315 6.0315 6.3318 6.3318 8.2392 8.2392 10.2949 10.2949 11.2309 11.2309 11.6774 11.6774 k = 0.3580 0.0844 0.6295 ( 3568 PWs) bands (ev): -23.2360 -23.2360 -23.2167 -23.2167 -7.0704 -7.0704 -7.0319 -7.0319 -6.8690 -6.8690 -6.7839 -6.7839 -6.6798 -6.6798 -6.6420 -6.6420 -5.7031 -5.7031 -5.2322 -5.2322 1.6573 1.6573 1.9366 1.9366 2.3516 2.3516 2.9510 2.9510 3.6492 3.6492 4.6339 4.6339 4.8532 4.8532 5.7532 5.7532 6.0551 6.0551 6.3124 6.3124 8.2547 8.2547 10.2509 10.2509 11.2082 11.2082 11.7194 11.7194 k = 0.3523 0.0911 0.6468 ( 3564 PWs) bands (ev): -23.2346 -23.2346 -23.2154 -23.2154 -7.0751 -7.0751 -7.0325 -7.0325 -6.8677 -6.8677 -6.7889 -6.7889 -6.6789 -6.6789 -6.6424 -6.6424 -5.6771 -5.6771 -5.2414 -5.2414 1.6867 1.6867 1.8597 1.8597 2.4062 2.4062 2.9246 2.9246 3.6868 3.6868 4.5655 4.5655 4.8627 4.8627 5.7138 5.7138 6.0627 6.0627 6.3095 6.3095 8.2768 8.2768 10.2054 10.2054 11.1860 11.1860 11.7628 11.7628 k = 0.3466 0.0978 0.6642 ( 3566 PWs) bands (ev): -23.2333 -23.2333 -23.2141 -23.2141 -7.0812 -7.0812 -7.0342 -7.0342 -6.8651 -6.8651 -6.7932 -6.7932 -6.6776 -6.6776 -6.6427 -6.6427 -5.6508 -5.6508 -5.2505 -5.2505 1.6769 1.6769 1.8217 1.8217 2.4677 2.4677 2.9006 2.9006 3.7253 3.7253 4.4932 4.4932 4.8718 4.8718 5.6686 5.6686 6.0492 6.0492 6.3266 6.3266 8.3049 8.3049 10.1589 10.1589 11.1645 11.1645 11.8069 11.8069 k = 0.3409 0.1045 0.6815 ( 3566 PWs) bands (ev): -23.2320 -23.2320 -23.2128 -23.2128 -7.0882 -7.0882 -7.0369 -7.0369 -6.8615 -6.8615 -6.7968 -6.7968 -6.6762 -6.6762 -6.6427 -6.6427 -5.6245 -5.6245 -5.2594 -5.2594 1.6113 1.6113 1.8423 1.8423 2.5319 2.5319 2.8800 2.8800 3.7642 3.7642 4.4180 4.4180 4.8803 4.8803 5.6186 5.6186 6.0188 6.0188 6.3589 6.3589 8.3379 8.3379 10.1121 10.1121 11.1441 11.1441 11.8507 11.8507 k = 0.3352 0.1112 0.6988 ( 3560 PWs) bands (ev): -23.2307 -23.2307 -23.2115 -23.2115 -7.0959 -7.0959 -7.0404 -7.0404 -6.8574 -6.8574 -6.7994 -6.7994 -6.6746 -6.6746 -6.6426 -6.6426 -5.5982 -5.5982 -5.2681 -5.2681 1.5285 1.5285 1.8844 1.8844 2.5956 2.5956 2.8650 2.8650 3.8029 3.8029 4.3408 4.3408 4.8883 4.8883 5.5645 5.5645 5.9779 5.9779 6.3994 6.3994 8.3750 8.3750 10.0658 10.0658 11.1251 11.1251 11.8543 11.8543 k = 0.3295 0.1179 0.7162 ( 3566 PWs) bands (ev): -23.2295 -23.2295 -23.2104 -23.2104 -7.1040 -7.1040 -7.0446 -7.0446 -6.8531 -6.8531 -6.8010 -6.8010 -6.6730 -6.6730 -6.6425 -6.6425 -5.5722 -5.5722 -5.2765 -5.2765 1.4441 1.4441 1.9333 1.9333 2.6533 2.6533 2.8605 2.8605 3.8403 3.8403 4.2632 4.2632 4.8956 4.8956 5.5069 5.5069 5.9310 5.9310 6.4436 6.4436 8.4154 8.4154 10.0205 10.0205 11.1076 11.1076 11.7940 11.7940 k = 0.3239 0.1246 0.7335 ( 3570 PWs) bands (ev): -23.2283 -23.2283 -23.2092 -23.2092 -7.1125 -7.1125 -7.0491 -7.0491 -6.8491 -6.8491 -6.8015 -6.8015 -6.6713 -6.6713 -6.6422 -6.6422 -5.5466 -5.5466 -5.2845 -5.2845 1.3619 1.3619 1.9854 1.9854 2.6946 2.6946 2.8762 2.8762 3.8737 3.8737 4.1879 4.1879 4.9021 4.9021 5.4465 5.4465 5.8804 5.8804 6.4890 6.4890 8.4579 8.4579 9.9768 9.9768 11.0917 11.0917 11.7359 11.7359 k = 0.3182 0.1313 0.7508 ( 3570 PWs) bands (ev): -23.2272 -23.2272 -23.2082 -23.2082 -7.1209 -7.1209 -7.0540 -7.0540 -6.8456 -6.8456 -6.8010 -6.8010 -6.6696 -6.6696 -6.6419 -6.6419 -5.5218 -5.5218 -5.2922 -5.2922 1.2834 1.2834 2.0397 2.0397 2.7125 2.7125 2.9192 2.9192 3.8966 3.8966 4.1217 4.1217 4.9073 4.9073 5.3842 5.3842 5.8277 5.8277 6.5341 6.5341 8.5015 8.5015 9.9353 9.9353 11.0777 11.0777 11.6814 11.6814 k = 0.3125 0.1380 0.7682 ( 3568 PWs) bands (ev): -23.2261 -23.2261 -23.2071 -23.2071 -7.1293 -7.1293 -7.0589 -7.0589 -6.8427 -6.8427 -6.7994 -6.7994 -6.6679 -6.6679 -6.6416 -6.6416 -5.4978 -5.4978 -5.2995 -5.2995 1.2094 1.2094 2.0956 2.0956 2.7141 2.7141 2.9819 2.9819 3.8925 3.8925 4.0815 4.0815 4.9104 4.9104 5.3215 5.3215 5.7737 5.7737 6.5781 6.5781 8.5454 8.5454 9.8966 9.8966 11.0656 11.0656 11.6305 11.6305 k = 0.3068 0.1447 0.7855 ( 3570 PWs) bands (ev): -23.2252 -23.2252 -23.2062 -23.2062 -7.1373 -7.1373 -7.0639 -7.0639 -6.8404 -6.8404 -6.7970 -6.7970 -6.6663 -6.6663 -6.6413 -6.6413 -5.4750 -5.4750 -5.3063 -5.3063 1.1405 1.1405 2.1524 2.1524 2.7093 2.7093 3.0543 3.0543 3.8481 3.8481 4.0804 4.0804 4.9101 4.9101 5.2604 5.2604 5.7191 5.7191 6.6202 6.6202 8.5884 8.5884 9.8612 9.8612 11.0553 11.0553 11.5833 11.5833 k = 0.3011 0.1514 0.8028 ( 3574 PWs) bands (ev): -23.2243 -23.2243 -23.2053 -23.2053 -7.1449 -7.1449 -7.0687 -7.0687 -6.8387 -6.8387 -6.7940 -6.7940 -6.6647 -6.6647 -6.6410 -6.6410 -5.4536 -5.4536 -5.3125 -5.3125 1.0769 1.0769 2.2096 2.2096 2.7034 2.7034 3.1309 3.1309 3.7793 3.7793 4.1027 4.1027 4.9038 4.9038 5.2043 5.2043 5.6646 5.6646 6.6599 6.6599 8.6296 8.6296 9.8295 9.8295 11.0469 11.0469 11.5399 11.5399 k = 0.2955 0.1581 0.8202 ( 3566 PWs) bands (ev): -23.2235 -23.2235 -23.2045 -23.2045 -7.1520 -7.1520 -7.0733 -7.0733 -6.8374 -6.8374 -6.7908 -6.7908 -6.6633 -6.6633 -6.6407 -6.6407 -5.4337 -5.4337 -5.3182 -5.3182 1.0192 1.0192 2.2662 2.2662 2.6991 2.6991 3.2089 3.2089 3.7020 3.7020 4.1327 4.1327 4.8876 4.8876 5.1581 5.1581 5.6106 5.6106 6.6967 6.6967 8.6681 8.6681 9.8019 9.8019 11.0403 11.0403 11.5005 11.5005 k = 0.2898 0.1649 0.8375 ( 3570 PWs) bands (ev): -23.2228 -23.2228 -23.2038 -23.2038 -7.1584 -7.1584 -7.0776 -7.0776 -6.8364 -6.8364 -6.7875 -6.7875 -6.6619 -6.6619 -6.6404 -6.6404 -5.4157 -5.4157 -5.3233 -5.3233 0.9675 0.9675 2.3209 2.3209 2.6982 2.6982 3.2864 3.2864 3.6225 3.6225 4.1642 4.1642 4.8578 4.8578 5.1268 5.1268 5.5576 5.5576 6.7304 6.7304 8.7031 8.7031 9.7786 9.7786 11.0354 11.0354 11.4650 11.4650 k = 0.2841 0.1716 0.8548 ( 3576 PWs) bands (ev): -23.2221 -23.2221 -23.2032 -23.2032 -7.1642 -7.1642 -7.0814 -7.0814 -6.8356 -6.8356 -6.7844 -6.7844 -6.6607 -6.6607 -6.6402 -6.6402 -5.3996 -5.3996 -5.3277 -5.3277 0.9222 0.9222 2.3717 2.3717 2.7028 2.7028 3.3602 3.3602 3.5450 3.5450 4.1946 4.1946 4.8147 4.8147 5.1116 5.1116 5.5062 5.5062 6.7604 6.7604 8.7339 8.7339 9.7596 9.7596 11.0319 11.0319 11.4336 11.4336 k = 0.2784 0.1783 0.8722 ( 3576 PWs) bands (ev): -23.2216 -23.2216 -23.2026 -23.2026 -7.1691 -7.1691 -7.0848 -7.0848 -6.8350 -6.8350 -6.7815 -6.7815 -6.6597 -6.6597 -6.6400 -6.6400 -5.3858 -5.3858 -5.3313 -5.3313 0.8834 0.8834 2.4163 2.4163 2.7148 2.7148 3.4139 3.4139 3.4859 3.4859 4.2224 4.2224 4.7631 4.7631 5.1095 5.1095 5.4569 5.4569 6.7865 6.7865 8.7601 8.7601 9.7448 9.7448 11.0297 11.0297 11.4064 11.4064 k = 0.2727 0.1850 0.8895 ( 3578 PWs) bands (ev): -23.2212 -23.2212 -23.2022 -23.2022 -7.1733 -7.1733 -7.0877 -7.0877 -6.8345 -6.8345 -6.7791 -6.7791 -6.6588 -6.6588 -6.6398 -6.6398 -5.3745 -5.3745 -5.3341 -5.3341 0.8514 0.8514 2.4519 2.4519 2.7359 2.7359 3.3746 3.3746 3.5174 3.5174 4.2465 4.2465 4.7093 4.7093 5.1165 5.1165 5.4105 5.4105 6.8083 6.8083 8.7814 8.7814 9.7338 9.7338 11.0286 11.0286 11.3837 11.3837 k = 0.2670 0.1917 0.9068 ( 3572 PWs) bands (ev): -23.2208 -23.2208 -23.2019 -23.2019 -7.1765 -7.1765 -7.0899 -7.0899 -6.8341 -6.8341 -6.7771 -6.7771 -6.6582 -6.6582 -6.6397 -6.6397 -5.3658 -5.3658 -5.3361 -5.3361 0.8263 0.8263 2.4772 2.4772 2.7655 2.7655 3.3089 3.3089 3.5724 3.5724 4.2659 4.2659 4.6593 4.6593 5.1294 5.1294 5.3680 5.3680 6.8255 6.8255 8.7977 8.7977 9.7261 9.7261 11.0281 11.0281 11.3657 11.3657 k = 0.2614 0.1984 0.9242 ( 3578 PWs) bands (ev): -23.2205 -23.2205 -23.2016 -23.2016 -7.1788 -7.1788 -7.0916 -7.0916 -6.8339 -6.8339 -6.7757 -6.7757 -6.6577 -6.6577 -6.6396 -6.6396 -5.3599 -5.3599 -5.3371 -5.3371 0.8083 0.8083 2.4932 2.4932 2.7989 2.7989 3.2500 3.2500 3.6181 3.6181 4.2802 4.2802 4.6182 4.6182 5.1452 5.1452 5.3313 5.3313 6.8380 6.8380 8.8093 8.8093 9.7212 9.7212 11.0281 11.0281 11.3526 11.3526 k = 0.2557 0.2051 0.9415 ( 3574 PWs) bands (ev): -23.2204 -23.2204 -23.2015 -23.2015 -7.1802 -7.1802 -7.0926 -7.0926 -6.8337 -6.8337 -6.7749 -6.7749 -6.6573 -6.6573 -6.6395 -6.6395 -5.3566 -5.3566 -5.3375 -5.3375 0.7975 0.7975 2.5016 2.5016 2.8272 2.8272 3.2071 3.2071 3.6482 3.6482 4.2887 4.2887 4.5911 4.5911 5.1600 5.1600 5.3041 5.3041 6.8456 6.8456 8.8161 8.8161 9.7185 9.7185 11.0282 11.0282 11.3446 11.3446 k = 0.2500 0.2118 0.9588 ( 3576 PWs) bands (ev): -23.2203 -23.2203 -23.2014 -23.2014 -7.1807 -7.1807 -7.0929 -7.0929 -6.8336 -6.8336 -6.7746 -6.7746 -6.6572 -6.6572 -6.6395 -6.6395 -5.3556 -5.3556 -5.3375 -5.3375 0.7939 0.7939 2.5042 2.5042 2.8388 2.8388 3.1908 3.1908 3.6588 3.6588 4.2916 4.2916 4.5815 4.5815 5.1666 5.1666 5.2934 5.2934 6.8482 6.8482 8.8184 8.8184 9.7176 9.7176 11.0283 11.0283 11.3419 11.3419 k = 0.1794-0.2118 0.9588 ( 3571 PWs) bands (ev): -23.2209 -23.2209 -23.2049 -23.2049 -7.1832 -7.1832 -7.0765 -7.0765 -6.8895 -6.8895 -6.7872 -6.7872 -6.6488 -6.6488 -6.5993 -6.5993 -5.3749 -5.3749 -5.3200 -5.3200 0.9186 0.9186 2.4332 2.4332 2.6833 2.6833 3.1190 3.1190 3.7337 3.7337 4.2324 4.2324 4.8237 4.8237 5.0953 5.0953 5.4434 5.4434 6.6821 6.6821 9.1109 9.1109 9.7014 9.7014 10.5078 10.5078 11.7723 11.7723 k = 0.1850-0.2184 0.9417 ( 3569 PWs) bands (ev): -23.2214 -23.2214 -23.2057 -23.2057 -7.1805 -7.1805 -7.0732 -7.0732 -6.8929 -6.8929 -6.7907 -6.7907 -6.6475 -6.6475 -6.6006 -6.6006 -5.3836 -5.3836 -5.3150 -5.3150 0.9672 0.9672 2.3782 2.3782 2.6746 2.6746 3.0520 3.0520 3.8140 3.8140 4.2099 4.2099 4.8646 4.8646 5.1034 5.1034 5.4920 5.4920 6.6352 6.6352 9.0672 9.0672 9.7472 9.7472 10.5222 10.5222 11.7507 11.7507 k = 0.1907-0.2250 0.9246 ( 3567 PWs) bands (ev): -23.2219 -23.2219 -23.2067 -23.2067 -7.1778 -7.1778 -7.0698 -7.0698 -6.8960 -6.8960 -6.7939 -6.7939 -6.6463 -6.6463 -6.6019 -6.6019 -5.3958 -5.3958 -5.3077 -5.3077 1.0218 1.0218 2.3188 2.3188 2.6720 2.6720 2.9824 2.9824 3.8896 3.8896 4.1913 4.1913 4.8949 4.8949 5.1243 5.1243 5.5431 5.5431 6.5855 6.5855 9.0202 9.0202 9.7973 9.7973 10.5404 10.5404 11.7308 11.7308 k = 0.1963-0.2317 0.9075 ( 3568 PWs) bands (ev): -23.2225 -23.2225 -23.2077 -23.2077 -7.1752 -7.1752 -7.0663 -7.0663 -6.8985 -6.8985 -6.7969 -6.7969 -6.6452 -6.6452 -6.6032 -6.6032 -5.4108 -5.4108 -5.2989 -5.2989 1.0822 1.0822 2.2575 2.2575 2.6722 2.6722 2.9127 2.9127 3.9505 3.9505 4.1863 4.1863 4.9128 4.9128 5.1590 5.1590 5.5960 5.5960 6.5335 6.5335 8.9708 8.9708 9.8512 9.8512 10.5623 10.5623 11.7126 11.7126 k = 0.2019-0.2383 0.8903 ( 3565 PWs) bands (ev): -23.2232 -23.2232 -23.2088 -23.2088 -7.1728 -7.1728 -7.0628 -7.0628 -6.9004 -6.9004 -6.7995 -6.7995 -6.6443 -6.6443 -6.6043 -6.6043 -5.4280 -5.4280 -5.2888 -5.2888 1.1481 1.1481 2.1957 2.1957 2.6716 2.6716 2.8463 2.8463 3.9807 3.9807 4.2108 4.2108 4.9204 4.9204 5.2042 5.2042 5.6501 5.6501 6.4798 6.4798 8.9197 8.9197 9.9086 9.9086 10.5878 10.5878 11.6964 11.6964 k = 0.2075-0.2449 0.8732 ( 3567 PWs) bands (ev): -23.2240 -23.2240 -23.2100 -23.2100 -7.1711 -7.1711 -7.0595 -7.0595 -6.9015 -6.9015 -6.8016 -6.8016 -6.6435 -6.6435 -6.6054 -6.6054 -5.4470 -5.4470 -5.2779 -5.2779 1.2191 1.2191 2.1342 2.1342 2.6621 2.6621 2.7913 2.7913 3.9770 3.9770 4.2679 4.2679 4.9213 4.9213 5.2553 5.2553 5.7048 5.7048 6.4250 6.4250 8.8678 8.8678 9.9689 9.9689 10.6166 10.6166 11.6822 11.6822 k = 0.2131-0.2516 0.8561 ( 3571 PWs) bands (ev): -23.2249 -23.2249 -23.2112 -23.2112 -7.1702 -7.1702 -7.0562 -7.0562 -6.9017 -6.9017 -6.8031 -6.8031 -6.6428 -6.6428 -6.6064 -6.6064 -5.4675 -5.4675 -5.2662 -5.2662 1.2948 1.2948 2.0737 2.0737 2.6293 2.6293 2.7623 2.7623 3.9542 3.9542 4.3429 4.3429 4.9183 4.9183 5.3090 5.3090 5.7595 5.7595 6.3698 6.3698 8.8159 8.8159 10.0318 10.0318 10.6485 10.6485 11.6701 11.6701 k = 0.2187-0.2582 0.8390 ( 3564 PWs) bands (ev): -23.2258 -23.2258 -23.2125 -23.2125 -7.1703 -7.1703 -7.0531 -7.0531 -6.9007 -6.9007 -6.8039 -6.8039 -6.6423 -6.6423 -6.6073 -6.6073 -5.4891 -5.4891 -5.2539 -5.2539 1.3747 1.3747 2.0143 2.0143 2.5742 2.5742 2.7587 2.7587 3.9230 3.9230 4.4248 4.4248 4.9130 4.9130 5.3631 5.3631 5.8132 5.8132 6.3151 6.3151 8.7648 8.7648 10.0970 10.0970 10.6832 10.6832 11.6602 11.6602 k = 0.2243-0.2648 0.8218 ( 3564 PWs) bands (ev): -23.2268 -23.2268 -23.2138 -23.2138 -7.1718 -7.1718 -7.0502 -7.0502 -6.8987 -6.8987 -6.8039 -6.8039 -6.6418 -6.6418 -6.6080 -6.6080 -5.5116 -5.5116 -5.2411 -5.2411 1.4580 1.4580 1.9567 1.9567 2.5106 2.5106 2.7670 2.7670 3.8881 3.8881 4.5088 4.5088 4.9062 4.9062 5.4161 5.4161 5.8646 5.8646 6.2623 6.2623 8.7152 8.7152 10.1639 10.1639 10.7204 10.7204 11.6527 11.6527 k = 0.2300-0.2714 0.8047 ( 3568 PWs) bands (ev): -23.2278 -23.2278 -23.2152 -23.2152 -7.1748 -7.1748 -7.0474 -7.0474 -6.8955 -6.8955 -6.8031 -6.8031 -6.6415 -6.6415 -6.6085 -6.6085 -5.5347 -5.5347 -5.2278 -5.2278 1.5435 1.5435 1.9013 1.9013 2.4459 2.4459 2.7807 2.7807 3.8515 3.8515 4.5922 4.5922 4.8987 4.8987 5.4673 5.4673 5.9111 5.9111 6.2142 6.2142 8.6681 8.6681 10.2323 10.2323 10.7596 10.7596 11.6479 11.6479 k = 0.2356-0.2781 0.7876 ( 3566 PWs) bands (ev): -23.2289 -23.2289 -23.2166 -23.2166 -7.1792 -7.1792 -7.0449 -7.0449 -6.8913 -6.8913 -6.8012 -6.8012 -6.6412 -6.6412 -6.6088 -6.6088 -5.5584 -5.5584 -5.2142 -5.2142 1.6284 1.6284 1.8501 1.8501 2.3830 2.3830 2.7974 2.7974 3.8143 3.8143 4.6732 4.6732 4.8912 4.8912 5.5157 5.5157 5.9469 5.9469 6.1768 6.1768 8.6242 8.6242 10.3019 10.3019 10.8001 10.8001 11.6459 11.6459 k = 0.2412-0.2847 0.7705 ( 3574 PWs) bands (ev): -23.2301 -23.2301 -23.2181 -23.2181 -7.1853 -7.1853 -7.0426 -7.0426 -6.8860 -6.8860 -6.7984 -6.7984 -6.6409 -6.6409 -6.6089 -6.6089 -5.5823 -5.5823 -5.2004 -5.2004 1.6999 1.6999 1.8142 1.8142 2.3245 2.3245 2.8162 2.8162 3.7771 3.7771 4.7487 4.7487 4.8859 4.8859 5.5610 5.5610 5.9604 5.9604 6.1618 6.1618 8.5843 8.5843 10.3721 10.3721 10.8414 10.8414 11.6471 11.6471 k = 0.2468-0.2913 0.7533 ( 3575 PWs) bands (ev): -23.2312 -23.2312 -23.2195 -23.2195 -7.1928 -7.1928 -7.0408 -7.0408 -6.8798 -6.8798 -6.7947 -6.7947 -6.6406 -6.6406 -6.6088 -6.6088 -5.6062 -5.6062 -5.1863 -5.1863 1.7067 1.7067 1.8413 1.8413 2.2742 2.2742 2.8366 2.8366 3.7405 3.7405 4.8081 4.8081 4.8926 4.8926 5.6021 5.6021 5.9453 5.9453 6.1763 6.1763 8.5491 8.5491 10.4427 10.4427 10.8825 10.8825 11.6519 11.6519 k = 0.2524-0.2979 0.7362 ( 3577 PWs) bands (ev): -23.2324 -23.2324 -23.2210 -23.2210 -7.2016 -7.2016 -7.0393 -7.0393 -6.8728 -6.8728 -6.7900 -6.7900 -6.6402 -6.6402 -6.6084 -6.6084 -5.6301 -5.6301 -5.1721 -5.1721 1.6670 1.6670 1.9049 1.9049 2.2404 2.2404 2.8584 2.8584 3.7047 3.7047 4.8280 4.8280 4.9337 4.9337 5.6379 5.6379 5.9126 5.9126 6.2104 6.2104 8.5195 8.5195 10.5133 10.5133 10.9224 10.9224 11.6605 11.6606 k = 0.2580-0.3046 0.7191 ( 3585 PWs) bands (ev): -23.2337 -23.2337 -23.2226 -23.2226 -7.2116 -7.2116 -7.0384 -7.0384 -6.8650 -6.8650 -6.7845 -6.7845 -6.6397 -6.6397 -6.6077 -6.6077 -5.6538 -5.6538 -5.1578 -5.1578 1.6204 1.6204 1.9479 1.9479 2.2403 2.2403 2.8814 2.8814 3.6701 3.6701 4.8232 4.8232 4.9939 4.9939 5.6658 5.6658 5.8762 5.8762 6.2527 6.2527 8.4963 8.4963 10.5833 10.5833 10.9602 10.9602 11.6733 11.6733 k = 0.2636-0.3112 0.7020 ( 3579 PWs) bands (ev): -23.2349 -23.2349 -23.2241 -23.2241 -7.2225 -7.2225 -7.0380 -7.0380 -6.8566 -6.8566 -6.7784 -6.7784 -6.6391 -6.6391 -6.6066 -6.6066 -5.6771 -5.6771 -5.1435 -5.1435 1.5733 1.5733 1.9508 1.9508 2.2872 2.2872 2.9054 2.9054 3.6370 3.6370 4.8116 4.8116 5.0544 5.0544 5.6801 5.6801 5.8470 5.8470 6.2979 6.2979 8.4800 8.4800 10.6522 10.6522 10.9949 10.9949 11.6899 11.6899 k = 0.2692-0.3178 0.6848 ( 3579 PWs) bands (ev): -23.2361 -23.2361 -23.2256 -23.2256 -7.2343 -7.2343 -7.0382 -7.0382 -6.8477 -6.8477 -6.7718 -6.7718 -6.6381 -6.6381 -6.6052 -6.6052 -5.6999 -5.6999 -5.1292 -5.1292 1.5269 1.5269 1.9249 1.9249 2.3677 2.3677 2.9306 2.9306 3.6057 3.6057 4.7972 4.7972 5.1108 5.1108 5.6734 5.6734 5.8349 5.8349 6.3436 6.3436 8.4715 8.4715 10.7195 10.7195 11.0257 11.0257 11.7100 11.7100 k = 0.2749-0.3244 0.6677 ( 3575 PWs) bands (ev): -23.2374 -23.2374 -23.2271 -23.2271 -7.2467 -7.2467 -7.0389 -7.0389 -6.8384 -6.8384 -6.7650 -6.7650 -6.6368 -6.6368 -6.6034 -6.6034 -5.7222 -5.7222 -5.1151 -5.1151 1.4817 1.4817 1.8872 1.8872 2.4641 2.4641 2.9568 2.9568 3.5766 3.5766 4.7809 4.7809 5.1614 5.1614 5.6465 5.6465 5.8398 5.8398 6.3887 6.3887 8.4713 8.4713 10.7843 10.7843 11.0522 11.0522 11.7322 11.7322 k = 0.2805-0.3311 0.6506 ( 3580 PWs) bands (ev): -23.2386 -23.2386 -23.2286 -23.2286 -7.2595 -7.2595 -7.0401 -7.0401 -6.8289 -6.8289 -6.7581 -6.7581 -6.6351 -6.6351 -6.6013 -6.6013 -5.7438 -5.7438 -5.1012 -5.1012 1.4378 1.4378 1.8460 1.8460 2.5669 2.5669 2.9845 2.9845 3.5500 3.5500 4.7632 4.7632 5.2058 5.2058 5.6089 5.6089 5.8529 5.8529 6.4328 6.4328 8.4798 8.4798 10.8458 10.8458 11.0742 11.0742 11.7545 11.7545 k = 0.2861-0.3377 0.6335 ( 3576 PWs) bands (ev): -23.2398 -23.2398 -23.2301 -23.2301 -7.2727 -7.2727 -7.0418 -7.0418 -6.8194 -6.8194 -6.7514 -6.7514 -6.6330 -6.6330 -6.5986 -6.5986 -5.7646 -5.7646 -5.0875 -5.0875 1.3953 1.3953 1.8044 1.8044 2.6712 2.6712 3.0145 3.0145 3.5266 3.5266 4.7439 4.7439 5.2435 5.2435 5.5674 5.5674 5.8676 5.8676 6.4754 6.4754 8.4973 8.4973 10.9028 10.9028 11.0921 11.0921 11.7738 11.7738 k = 0.2917-0.3443 0.6163 ( 3562 PWs) bands (ev): -23.2410 -23.2410 -23.2315 -23.2315 -7.2860 -7.2860 -7.0438 -7.0438 -6.8099 -6.8099 -6.7451 -6.7451 -6.6302 -6.6302 -6.5955 -6.5955 -5.7846 -5.7846 -5.0741 -5.0741 1.3544 1.3544 1.7639 1.7639 2.7724 2.7724 3.0487 3.0487 3.5070 3.5070 4.7234 4.7234 5.2745 5.2745 5.5252 5.5252 5.8807 5.8807 6.5164 6.5164 8.5239 8.5239 10.9539 10.9539 11.1066 11.1066 11.7867 11.7867 k = 0.2973-0.3509 0.5992 ( 3566 PWs) bands (ev): -23.2422 -23.2422 -23.2329 -23.2329 -7.2994 -7.2994 -7.0461 -7.0461 -6.8006 -6.8006 -6.7394 -6.7394 -6.6269 -6.6269 -6.5919 -6.5919 -5.8037 -5.8037 -5.0610 -5.0610 1.3150 1.3150 1.7253 1.7253 2.8639 2.8639 3.0915 3.0915 3.4924 3.4924 4.7015 4.7015 5.2989 5.2989 5.4840 5.4840 5.8908 5.8908 6.5556 6.5556 8.5596 8.5596 10.9974 10.9974 11.1186 11.1186 11.7901 11.7901 k = 0.3029-0.3576 0.5821 ( 3563 PWs) bands (ev): -23.2434 -23.2434 -23.2343 -23.2343 -7.3127 -7.3127 -7.0487 -7.0487 -6.7918 -6.7918 -6.7342 -6.7342 -6.6230 -6.6230 -6.5878 -6.5878 -5.8218 -5.8218 -5.0484 -5.0484 1.2774 1.2774 1.6889 1.6889 2.9368 2.9368 3.1492 3.1492 3.4847 3.4847 4.6784 4.6784 5.3166 5.3166 5.4447 5.4447 5.8970 5.8970 6.5929 6.5929 8.6042 8.6042 11.0314 11.0314 11.1295 11.1295 11.7817 11.7817 k = 0.3085-0.3642 0.5650 ( 3564 PWs) bands (ev): -23.2445 -23.2445 -23.2356 -23.2356 -7.3258 -7.3258 -7.0514 -7.0514 -6.7834 -6.7834 -6.7298 -6.7298 -6.6186 -6.6186 -6.5832 -6.5832 -5.8390 -5.8390 -5.0363 -5.0363 1.2415 1.2415 1.6548 1.6548 2.9865 2.9865 3.2217 3.2217 3.4878 3.4878 4.6542 4.6542 5.3271 5.3271 5.4090 5.4090 5.8990 5.8990 6.6281 6.6281 8.6570 8.6570 11.0549 11.0549 11.1396 11.1396 11.7615 11.7615 k = 0.3141-0.3708 0.5478 ( 3572 PWs) bands (ev): -23.2456 -23.2456 -23.2369 -23.2369 -7.3385 -7.3385 -7.0541 -7.0541 -6.7756 -6.7756 -6.7260 -6.7260 -6.6137 -6.6137 -6.5782 -6.5782 -5.8552 -5.8552 -5.0246 -5.0246 1.2074 1.2074 1.6233 1.6233 3.0178 3.0178 3.2957 3.2957 3.5097 3.5097 4.6289 4.6289 5.3274 5.3274 5.3803 5.3803 5.8965 5.8965 6.6613 6.6613 8.7174 8.7174 11.0685 11.0685 11.1482 11.1482 11.7310 11.7310 k = 0.3198-0.3774 0.5307 ( 3568 PWs) bands (ev): -23.2467 -23.2467 -23.2380 -23.2380 -7.3508 -7.3508 -7.0569 -7.0569 -6.7685 -6.7685 -6.7229 -6.7229 -6.6084 -6.6084 -6.5729 -6.5729 -5.8703 -5.8703 -5.0136 -5.0136 1.1753 1.1753 1.5942 1.5942 3.0373 3.0373 3.3520 3.3520 3.5622 3.5622 4.6029 4.6029 5.3123 5.3123 5.3648 5.3648 5.8894 5.8894 6.6924 6.6924 8.7845 8.7845 11.0748 11.0748 11.1530 11.1530 11.6924 11.6924 k = 0.3254-0.3841 0.5136 ( 3565 PWs) bands (ev): -23.2476 -23.2476 -23.2392 -23.2392 -7.3626 -7.3626 -7.0596 -7.0596 -6.7621 -6.7621 -6.7203 -6.7203 -6.6028 -6.6028 -6.5673 -6.5673 -5.8844 -5.8844 -5.0031 -5.0031 1.1452 1.1452 1.5675 1.5675 3.0491 3.0491 3.3865 3.3865 3.6451 3.6451 4.5763 4.5763 5.2869 5.2869 5.3576 5.3576 5.8779 5.8779 6.7212 6.7212 8.8574 8.8574 11.0762 11.0762 11.1526 11.1526 11.6483 11.6483 k = 0.3310-0.3907 0.4965 ( 3562 PWs) bands (ev): -23.2485 -23.2485 -23.2402 -23.2402 -7.3738 -7.3738 -7.0623 -7.0623 -6.7565 -6.7565 -6.7182 -6.7182 -6.5970 -6.5970 -6.5615 -6.5615 -5.8973 -5.8973 -4.9934 -4.9934 1.1171 1.1171 1.5433 1.5433 3.0554 3.0554 3.4099 3.4099 3.7446 3.7446 4.5493 4.5493 5.2596 5.2596 5.3509 5.3509 5.8622 5.8622 6.7479 6.7479 8.9348 8.9348 11.0746 11.0746 11.1468 11.1468 11.6008 11.6008 k = 0.3366-0.3973 0.4793 ( 3562 PWs) bands (ev): -23.2494 -23.2494 -23.2412 -23.2412 -7.3844 -7.3844 -7.0649 -7.0649 -6.7515 -6.7515 -6.7166 -6.7166 -6.5912 -6.5912 -6.5558 -6.5558 -5.9092 -5.9092 -4.9843 -4.9843 1.0913 1.0913 1.5214 1.5214 3.0576 3.0576 3.4298 3.4298 3.8509 3.8509 4.5223 4.5223 5.2333 5.2333 5.3420 5.3420 5.8428 5.8428 6.7723 6.7723 9.0154 9.0154 11.0711 11.0711 11.1364 11.1364 11.5521 11.5521 k = 0.3422-0.4039 0.4622 ( 3560 PWs) bands (ev): -23.2502 -23.2502 -23.2421 -23.2421 -7.3941 -7.3941 -7.0673 -7.0673 -6.7473 -6.7473 -6.7153 -6.7153 -6.5855 -6.5855 -6.5502 -6.5502 -5.9200 -5.9200 -4.9760 -4.9760 1.0677 1.0677 1.5019 1.5019 3.0570 3.0570 3.4492 3.4492 3.9590 3.9590 4.4956 4.4956 5.2088 5.2088 5.3303 5.3303 5.8204 5.8204 6.7944 6.7944 9.0977 9.0977 11.0663 11.0663 11.1230 11.1230 11.5035 11.5035 k = 0.3478-0.4106 0.4451 ( 3560 PWs) bands (ev): -23.2509 -23.2509 -23.2429 -23.2429 -7.4030 -7.4030 -7.0695 -7.0695 -6.7437 -6.7437 -6.7143 -6.7143 -6.5801 -6.5801 -6.5448 -6.5448 -5.9297 -5.9297 -4.9684 -4.9684 1.0463 1.0463 1.4846 1.4846 3.0546 3.0546 3.4685 3.4685 4.0666 4.0666 4.4697 4.4697 5.1864 5.1864 5.3153 5.3153 5.7958 5.7958 6.8142 6.8142 9.1800 9.1800 11.0607 11.0607 11.1077 11.1077 11.4567 11.4567 k = 0.3534-0.4172 0.4280 ( 3561 PWs) bands (ev): -23.2516 -23.2516 -23.2437 -23.2437 -7.4110 -7.4110 -7.0715 -7.0715 -6.7407 -6.7407 -6.7134 -6.7134 -6.5749 -6.5749 -6.5399 -6.5399 -5.9382 -5.9382 -4.9617 -4.9617 1.0274 1.0274 1.4696 1.4696 3.0511 3.0511 3.4877 3.4877 4.1719 4.1719 4.4450 4.4450 5.1661 5.1661 5.2969 5.2969 5.7700 5.7700 6.8317 6.8317 9.2605 9.2605 11.0545 11.0545 11.0921 11.0921 11.4126 11.4126 k = 0.3591-0.4238 0.4108 ( 3563 PWs) bands (ev): -23.2522 -23.2522 -23.2443 -23.2443 -7.4180 -7.4180 -7.0733 -7.0733 -6.7383 -6.7383 -6.7128 -6.7128 -6.5702 -6.5702 -6.5353 -6.5353 -5.9456 -5.9456 -4.9558 -4.9558 1.0109 1.0109 1.4566 1.4566 3.0471 3.0471 3.5061 3.5061 4.2737 4.2737 4.4219 4.4219 5.1480 5.1480 5.2750 5.2750 5.7443 5.7443 6.8469 6.8469 9.3373 9.3373 11.0479 11.0479 11.0771 11.0771 11.3724 11.3724 k = 0.3647-0.4304 0.3937 ( 3563 PWs) bands (ev): -23.2527 -23.2527 -23.2449 -23.2449 -7.4241 -7.4241 -7.0749 -7.0749 -6.7363 -6.7363 -6.7123 -6.7123 -6.5661 -6.5661 -6.5314 -6.5314 -5.9519 -5.9519 -4.9508 -4.9508 0.9968 0.9968 1.4458 1.4458 3.0431 3.0431 3.5232 3.5232 4.3702 4.3702 4.4012 4.4012 5.1316 5.1316 5.2496 5.2496 5.7199 5.7199 6.8597 6.8597 9.4082 9.4082 11.0410 11.0410 11.0637 11.0637 11.3369 11.3369 k = 0.3703-0.4371 0.3766 ( 3567 PWs) bands (ev): -23.2531 -23.2531 -23.2454 -23.2454 -7.4291 -7.4291 -7.0762 -7.0762 -6.7348 -6.7348 -6.7119 -6.7119 -6.5626 -6.5626 -6.5280 -6.5280 -5.9570 -5.9570 -4.9467 -4.9467 0.9852 0.9852 1.4369 1.4369 3.0395 3.0395 3.5384 3.5384 4.3829 4.3829 4.4601 4.4601 5.1166 5.1166 5.2219 5.2219 5.6981 5.6981 6.8703 6.8703 9.4707 9.4707 11.0340 11.0340 11.0528 11.0528 11.3068 11.3068 k = 0.3759-0.4437 0.3595 ( 3565 PWs) bands (ev): -23.2534 -23.2534 -23.2457 -23.2457 -7.4330 -7.4330 -7.0772 -7.0772 -6.7337 -6.7337 -6.7116 -6.7116 -6.5597 -6.5597 -6.5254 -6.5254 -5.9610 -5.9610 -4.9434 -4.9434 0.9762 0.9762 1.4301 1.4301 3.0364 3.0364 3.5509 3.5509 4.3681 4.3681 4.5400 4.5400 5.1021 5.1021 5.1941 5.1941 5.6801 5.6801 6.8784 6.8784 9.5227 9.5227 11.0272 11.0272 11.0447 11.0447 11.2829 11.2829 k = 0.3815-0.4503 0.3423 ( 3565 PWs) bands (ev): -23.2536 -23.2536 -23.2460 -23.2460 -7.4358 -7.4358 -7.0779 -7.0779 -6.7329 -6.7329 -6.7114 -6.7114 -6.5577 -6.5577 -6.5235 -6.5235 -5.9639 -5.9639 -4.9411 -4.9411 0.9698 0.9698 1.4253 1.4253 3.0341 3.0341 3.5604 3.5604 4.3571 4.3571 4.6060 4.6060 5.0873 5.0873 5.1703 5.1703 5.6667 5.6667 6.8842 6.8842 9.5618 9.5618 11.0216 11.0216 11.0391 11.0391 11.2655 11.2655 k = 0.3871-0.4569 0.3252 ( 3565 PWs) bands (ev): -23.2537 -23.2537 -23.2461 -23.2461 -7.4375 -7.4375 -7.0784 -7.0784 -6.7325 -6.7325 -6.7113 -6.7113 -6.5564 -6.5564 -6.5223 -6.5223 -5.9656 -5.9656 -4.9397 -4.9397 0.9659 0.9659 1.4224 1.4224 3.0326 3.0326 3.5662 3.5662 4.3504 4.3504 4.6513 4.6513 5.0740 5.0740 5.1551 5.1551 5.6584 5.6584 6.8877 6.8877 9.5861 9.5861 11.0179 11.0179 11.0358 11.0358 11.2549 11.2549 k = 0.3927-0.4636 0.3081 ( 3560 PWs) bands (ev): -23.2537 -23.2537 -23.2462 -23.2462 -7.4381 -7.4381 -7.0785 -7.0785 -6.7323 -6.7323 -6.7112 -6.7112 -6.5560 -6.5560 -6.5219 -6.5219 -5.9662 -5.9662 -4.9392 -4.9392 0.9646 0.9646 1.4214 1.4214 3.0322 3.0322 3.5682 3.5682 4.3481 4.3481 4.6678 4.6678 5.0681 5.0681 5.1500 5.1500 5.6557 5.6557 6.8889 6.8889 9.5943 9.5943 11.0166 11.0166 11.0348 11.0348 11.2514 11.2514 k = 0.6073 0.2970 0.0841 ( 3560 PWs) bands (ev): -23.2537 -23.2537 -23.2462 -23.2462 -7.4381 -7.4381 -7.0785 -7.0785 -6.7323 -6.7323 -6.7112 -6.7112 -6.5560 -6.5560 -6.5219 -6.5219 -5.9662 -5.9662 -4.9392 -4.9392 0.9646 0.9646 1.4214 1.4214 3.0322 3.0322 3.5682 3.5682 4.3481 4.3481 4.6678 4.6678 5.0681 5.0681 5.1500 5.1500 5.6557 5.6557 6.8889 6.8889 9.5943 9.5943 11.0166 11.0166 11.0348 11.0348 11.2514 11.2514 k = 0.5965 0.3096 0.0757 ( 3560 PWs) bands (ev): -23.2534 -23.2534 -23.2465 -23.2465 -7.4426 -7.4426 -7.0853 -7.0853 -6.7297 -6.7297 -6.7111 -6.7111 -6.5562 -6.5562 -6.5208 -6.5208 -5.9609 -5.9609 -4.9291 -4.9291 0.9515 0.9515 1.4154 1.4154 3.0428 3.0428 3.5382 3.5382 4.3502 4.3502 4.6620 4.6620 5.0796 5.0796 5.1529 5.1529 5.6802 5.6802 6.9025 6.9025 9.6037 9.6037 11.0001 11.0001 11.0721 11.0721 11.2217 11.2217 k = 0.5858 0.3223 0.0673 ( 3566 PWs) bands (ev): -23.2531 -23.2531 -23.2468 -23.2468 -7.4466 -7.4466 -7.0917 -7.0917 -6.7273 -6.7273 -6.7110 -6.7110 -6.5564 -6.5564 -6.5198 -6.5198 -5.9562 -5.9562 -4.9197 -4.9197 0.9389 0.9389 1.4101 1.4101 3.0542 3.0542 3.5091 3.5091 4.3522 4.3522 4.6571 4.6571 5.0888 5.0888 5.1563 5.1563 5.7042 5.7042 6.9153 6.9153 9.6126 9.6126 10.9788 10.9788 11.1086 11.1086 11.1942 11.1942 k = 0.5751 0.3350 0.0589 ( 3566 PWs) bands (ev): -23.2528 -23.2528 -23.2471 -23.2471 -7.4499 -7.4499 -7.0975 -7.0975 -6.7250 -6.7250 -6.7110 -6.7110 -6.5566 -6.5566 -6.5188 -6.5188 -5.9520 -5.9520 -4.9111 -4.9111 0.9270 0.9270 1.4055 1.4055 3.0662 3.0662 3.4813 3.4813 4.3539 4.3539 4.6528 4.6528 5.0958 5.0958 5.1601 5.1601 5.7273 5.7273 6.9272 6.9272 9.6210 9.6210 10.9574 10.9574 11.1281 11.1281 11.1824 11.1824 k = 0.5644 0.3476 0.0505 ( 3568 PWs) bands (ev): -23.2526 -23.2526 -23.2473 -23.2473 -7.4527 -7.4527 -7.1028 -7.1028 -6.7229 -6.7229 -6.7112 -6.7112 -6.5568 -6.5568 -6.5180 -6.5180 -5.9484 -5.9484 -4.9035 -4.9035 0.9162 0.9162 1.4015 1.4015 3.0785 3.0785 3.4550 3.4550 4.3555 4.3555 4.6493 4.6493 5.1010 5.1010 5.1640 5.1640 5.7488 5.7488 6.9379 6.9379 9.6286 9.6286 10.9370 10.9370 11.1139 11.1139 11.2034 11.2034 k = 0.5536 0.3603 0.0421 ( 3570 PWs) bands (ev): -23.2524 -23.2524 -23.2475 -23.2475 -7.4550 -7.4550 -7.1074 -7.1074 -6.7210 -6.7210 -6.7114 -6.7114 -6.5569 -6.5569 -6.5173 -6.5173 -5.9454 -5.9454 -4.8969 -4.8969 0.9067 0.9067 1.3982 1.3982 3.0909 3.0909 3.4308 3.4308 4.3567 4.3567 4.6463 4.6463 5.1047 5.1047 5.1678 5.1678 5.7681 5.7681 6.9473 6.9473 9.6354 9.6354 10.9184 10.9184 11.0904 11.0904 11.2332 11.2332 k = 0.5429 0.3729 0.0337 ( 3570 PWs) bands (ev): -23.2523 -23.2523 -23.2476 -23.2476 -7.4569 -7.4569 -7.1112 -7.1112 -6.7193 -6.7193 -6.7117 -6.7117 -6.5570 -6.5570 -6.5167 -6.5167 -5.9429 -5.9429 -4.8914 -4.8914 0.8986 0.8986 1.3956 1.3956 3.1028 3.1028 3.4091 3.4091 4.3578 4.3578 4.6440 4.6440 5.1073 5.1073 5.1712 5.1712 5.7847 5.7847 6.9552 6.9552 9.6411 9.6411 10.9024 10.9024 11.0681 11.0681 11.2613 11.2613 k = 0.5322 0.3856 0.0252 ( 3562 PWs) bands (ev): -23.2521 -23.2521 -23.2478 -23.2478 -7.4583 -7.4583 -7.1143 -7.1143 -6.7177 -6.7177 -6.7121 -6.7121 -6.5571 -6.5571 -6.5163 -6.5163 -5.9409 -5.9409 -4.8870 -4.8870 0.8921 0.8921 1.3936 1.3936 3.1136 3.1136 3.3906 3.3906 4.3586 4.3586 4.6422 4.6422 5.1090 5.1090 5.1740 5.1740 5.7982 5.7982 6.9615 6.9615 9.6457 9.6457 10.8895 10.8895 11.0495 11.0495 11.2851 11.2851 k = 0.5215 0.3983 0.0168 ( 3576 PWs) bands (ev): -23.2521 -23.2521 -23.2479 -23.2479 -7.4593 -7.4593 -7.1165 -7.1165 -6.7164 -6.7164 -6.7126 -6.7126 -6.5571 -6.5571 -6.5160 -6.5160 -5.9395 -5.9395 -4.8839 -4.8839 0.8873 0.8873 1.3921 1.3921 3.1224 3.1224 3.3763 3.3763 4.3592 4.3592 4.6409 4.6409 5.1102 5.1102 5.1761 5.1761 5.8081 5.8081 6.9661 6.9661 9.6490 9.6490 10.8800 10.8800 11.0357 11.0357 11.3032 11.3032 k = 0.5107 0.4109 0.0084 ( 3574 PWs) bands (ev): -23.2520 -23.2520 -23.2479 -23.2479 -7.4599 -7.4599 -7.1179 -7.1179 -6.7153 -6.7153 -6.7133 -6.7133 -6.5572 -6.5572 -6.5158 -6.5158 -5.9387 -5.9387 -4.8820 -4.8820 0.8845 0.8845 1.3913 1.3913 3.1283 3.1283 3.3671 3.3671 4.3595 4.3595 4.6401 4.6401 5.1108 5.1108 5.1774 5.1774 5.8142 5.8142 6.9688 6.9688 9.6510 9.6510 10.8742 10.8742 11.0271 11.0271 11.3146 11.3146 k = 0.5000 0.4236-0.0000 ( 3570 PWs) bands (ev): -23.2520 -23.2520 -23.2479 -23.2479 -7.4601 -7.4601 -7.1183 -7.1183 -6.7146 -6.7146 -6.7138 -6.7138 -6.5572 -6.5572 -6.5157 -6.5157 -5.9384 -5.9384 -4.8814 -4.8814 0.8835 0.8835 1.3910 1.3910 3.1303 3.1303 3.3639 3.3639 4.3596 4.3596 4.6399 4.6399 5.1110 5.1110 5.1778 5.1778 5.8162 5.8162 6.9698 6.9698 9.6517 9.6517 10.8723 10.8723 11.0243 11.0243 11.3185 11.3185 Writing output data file K2PtS2.save init_run : 0.62s CPU 0.77s WALL ( 1 calls) electrons : 226.43s CPU 229.57s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 226.42s CPU 229.56s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.18s CPU 0.22s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 368 calls) cegterg : 204.83s CPU 207.40s WALL ( 633 calls) Called by sum_band: Called by *egterg: h_psi : 135.89s CPU 137.85s WALL ( 10074 calls) s_psi : 7.52s CPU 7.64s WALL ( 10074 calls) g_psi : 0.24s CPU 0.23s WALL ( 9073 calls) cdiaghg : 58.78s CPU 59.89s WALL ( 9441 calls) cegterg:over : 6.36s CPU 6.02s WALL ( 9073 calls) cegterg:upda : 5.50s CPU 5.46s WALL ( 9073 calls) cegterg:last : 2.78s CPU 2.93s WALL ( 1722 calls) cdiaghg:chol : 3.16s CPU 3.42s WALL ( 9441 calls) cdiaghg:inve : 2.06s CPU 2.15s WALL ( 9441 calls) cdiaghg:para : 3.46s CPU 3.63s WALL ( 18882 calls) Called by h_psi: h_psi:vloc : 118.52s CPU 120.56s WALL ( 10074 calls) h_psi:vnl : 17.16s CPU 17.06s WALL ( 10074 calls) add_vuspsi : 8.87s CPU 8.79s WALL ( 10074 calls) General routines calbec : 8.28s CPU 8.25s WALL ( 10074 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 105.94s CPU 107.52s WALL ( 941364 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.18s WALL ( 736 calls) Parallel routines fft_scatter : 40.90s CPU 42.34s WALL ( 941387 calls) PWSCF : 4m 2.72s CPU 4m18.67s WALL This run was terminated on: 20:11:34 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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